A0A077ZLU9_TRITR Loading...

NIL and ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M71.6Confident93.9Very high193 Ų19344.1 Ų44.195%0.95122%0.222SC*.  0125.80-176.1171.9-176.100103.2L3 E31M1-L3 PolarHBondContact O-N 2.92Å; M1-E31 PolarHBondContact N-OE2 3.23Å; M1-E31 VanDerWaalsContact O-OE2 3.09Å
2A88.5Confident94.1Very high16 Ų1643.2 Ų43.213%0.13222%0.223CC..EExtended strand (participates in β ladder)trans-61133.9-16900000110.7E5 A29 I30 E31A2-E5 HydrophobicContact CB-CG 3.47Å; A2-E5 VanDerWaalsContact CB-CG 3.47Å; A2-A29 HydrophobicContact CB-CB 4Å; A2-I30 CarbonylContact C-O 3.57Å; A2-E31 PolarHBondContact N-OE2 3.26Å
3L95.3Very high94.2Very high9 Ų945.5 Ų45.55%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-74.4-36174.4-179.264.8000110.5M1 I30 E32 V66 N67 I163 T195M1-L3 PolarHBondContact O-N 2.92Å; L3-I30 PolarHBondContact N-O 3.31Å; L3-E32 HydrophobicContact CB-CG 3.93Å; L3-E32 HydrophobicContact CD1-CG 4.1Å; L3-E32 HydrophobicContact CD2-CG 4.28Å; L3-E32 HydrophobicContact CG-CG 4.34Å; L3-V66 CarbonylContact O-C 3.58Å; L3-V66 WeakPolarHBondContact O-CA 3.4Å; L3-N67 WeakPolarHBondContact CD1-OD1 3.38Å; L3-N67 PolarHBondContact O-N 2.85Å; L3-I163 HydrophobicContact CD2-CD1 3.97Å; L3-I163 HydrophobicContact CD2-CG1 3.57Å; L3-I163 HydrophobicContact CG-CD1 4.07Å; L3-I163 HydrophobicContact CG-CG1 4.23Å; L3-T195 HydrophobicContact CD2-CG2 3.89Å; L3-T195 WeakPolarHBondContact CD2-OG1 3.37Å
4I97.2Very high94Very high1 Ų150 Ų501%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-126.2128177.4-56.8169.6000107.8L6 A29 I30 L53 L65 V66 I163 V197I4-L6 HydrophobicContact CG2-CD2 4.46Å; I4-A29 WeakPolarHBondContact O-CA 3.1Å; I4-I30 HydrophobicContact CB-CB 4.1Å; I4-I30 HydrophobicContact CB-CG1 4.46Å; I4-I30 HydrophobicContact CD1-CB 4.47Å; I4-I30 HydrophobicContact CD1-CD1 4.2Å; I4-I30 PolarHBondContact N-O 3.03Å; I4-I30 VanDerWaalsContact N-O 3.12Å; I4-I30 PolarHBondContact O-N 3.31Å; I4-L53 HydrophobicContact CG2-CD2 3.58Å; I4-L65 WeakPolarHBondContact CA-O 3.45Å; I4-V66 HydrophobicContact CG1-CG1 4.47Å; I4-V66 HydrophobicContact CG1-CG2 4.32Å; I4-V66 HydrophobicContact CG2-CG2 4.33Å; I4-I163 HydrophobicContact CD1-CD1 3.92Å; I4-I163 HydrophobicContact CD1-CG1 4.39Å; I4-I163 HydrophobicContact CD1-CG2 4.15Å; I4-I163 HydrophobicContact CG1-CD1 3.87Å; I4-V197 HydrophobicContact CD1-CG2 3.78Å
5E97.4Very high93.6Very high56 Ų5648.5 Ų48.526%0.26228%0.278SS..EExtended strand (participates in β ladder)trans-128.3123.8175.1-60.4175.4-136.500109.8A2 L28 L65A2-E5 HydrophobicContact CB-CG 3.47Å; A2-E5 VanDerWaalsContact CB-CG 3.47Å; E5-L28 CarbonylContact C-O 3.55Å; E5-L28 WeakPolarHBondContact CA-O 3.24Å; E5-L65 HydrophobicContact CB-CB 4.17Å; E5-L65 HydrophobicContact CB-CD1 4.43Å; E5-L65 PolarHBondContact N-O 3.02Å; E5-L65 PolarHBondContact O-N 2.95Å
6L97.6Very high93.3Very high2 Ų259.3 Ų59.31%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-104.6123.6168.4-54.9-171.6000108.1I4 V9 I26 N27 L28 L49 L53 V64I4-L6 HydrophobicContact CG2-CD2 4.46Å; L6-V9 HydrophobicContact CB-CB 4.4Å; L6-V9 HydrophobicContact CB-CG2 3.77Å; L6-V9 HydrophobicContact CD2-CG2 4.18Å; L6-V9 HydrophobicContact CG-CG2 4.46Å; L6-I26 HydrophobicContact CB-CG2 4.48Å; L6-I26 HydrophobicContact CD1-CG2 3.97Å; L6-N27 VanDerWaalsContact O-CA 3.23Å; L6-N27 WeakPolarHBondContact O-CA 3.18Å; L6-L28 HydrophobicContact CB-CB 4.05Å; L6-L28 HydrophobicContact CD1-CB 3.98Å; L6-L28 HydrophobicContact CD1-CD2 4.11Å; L6-L28 HydrophobicContact CG-CB 4.08Å; L6-L28 PolarHBondContact N-O 2.95Å; L6-L28 PolarHBondContact O-N 3.49Å; L6-L28 VanDerWaalsContact O-N 3.12Å; L6-L49 HydrophobicContact CD1-CD1 3.43Å; L6-L49 VanDerWaalsContact CD1-CD1 3.43Å; L6-L49 HydrophobicContact CD1-CG 4.3Å; L6-L53 HydrophobicContact CD1-CD2 4.41Å; L6-L53 HydrophobicContact CD2-CD2 3.6Å; L6-L53 HydrophobicContact CG-CD2 4.36Å; L6-V64 HydrophobicContact CD2-CB 4.1Å; L6-V64 HydrophobicContact CD2-CG1 3.72Å; L6-V64 HydrophobicContact CD2-CG2 3.91Å
7N97.1Very high93Very high62 Ų6264.5 Ų64.533%0.33236%0.356SS..EExtended strand (participates in β ladder)trans-119.5105.2-179-67.5-46.7000109.7V9 G62 Q63N7-V9 PolarHBondContact O-N 3.01Å; N7-G62 CarbonylContact O-C 3.6Å; N7-G62 WeakPolarHBondContact O-CA 3.25Å; N7-Q63 HydrophobicContact CB-CB 4.42Å; N7-Q63 PolarHBondContact N-O 3.18Å; N7-Q63 PolarHBondContact O-N 3.35Å
8Q96.9Very high92.8Very high118 Ų11862.8 Ų62.855%0.55136%0.355SS*.EExtended strand (participates in β ladder)trans50.438.9-179.3-62-67.9-36.700113.4G10 I26 N27 G62Q8-G10 PolarHBondContact O-N 2.9Å; Q8-I26 PolarHBondContact N-O 3.07Å; Q8-N27 PolarHBondContact N-OD1 3.26Å; Q8-N27 PolarHBondContact NE2-ND2 3.29Å; Q8-N27 PolarHBondContact NE2-OD1 3.08Å; Q8-G62 WeakPolarHBondContact O-CA 3.45Å
9V97.3Very high92.7Very high0 Ų064.2 Ų64.20%037%0.367CS..EExtended strand (participates in β ladder)trans-69.8129-172.3174.90000110.5L6 N7 V23 G25 I26 L52 P59 D61 Q63 V64L6-V9 HydrophobicContact CB-CB 4.4Å; L6-V9 HydrophobicContact CB-CG2 3.77Å; L6-V9 HydrophobicContact CD2-CG2 4.18Å; L6-V9 HydrophobicContact CG-CG2 4.46Å; N7-V9 PolarHBondContact O-N 3.01Å; V9-V23 HydrophobicContact CG1-CG1 4.07Å; V9-V23 WeakPolarHBondContact O-CG1 3.36Å; V9-G25 CarbonylContact O-C 3.59Å; V9-G25 WeakPolarHBondContact O-CA 3.29Å; V9-G25 PolarHBondContact O-N 2.97Å; V9-I26 PolarHBondContact N-O 3.09Å; V9-I26 PolarHBondContact O-N 3.41Å; V9-L52 HydrophobicContact CG1-CD1 3.79Å; V9-P59 HydrophobicContact CG1-CB 4.14Å; V9-D61 WeakPolarHBondContact CA-O 3.29Å; V9-Q63 WeakPolarHBondContact CG2-O 3.39Å; V9-V64 HydrophobicContact CG1-CG2 4.07Å; V9-V64 HydrophobicContact CG2-CG2 3.82Å
10G96.9Very high92.7Very high5 Ų566 Ų665%0.05237%0.374CS..EExtended strand (participates in β ladder)trans-125144174.100000111.3Q8 V23 P59 T60 D61Q8-G10 PolarHBondContact O-N 2.9Å; G10-V23 CarbonylContact C-O 3.54Å; G10-V23 WeakPolarHBondContact CA-O 3.46Å; G10-P59 CarbonylContact O-C 3.53Å; G10-P59 WeakPolarHBondContact O-CA 3.33Å; G10-T60 PolarHBondContact O-N 3.35Å; G10-D61 PolarHBondContact N-O 2.94Å; G10-D61 PolarHBondContact O-N 3.04Å
11K97.2Very high92.8Very high23 Ų2367.3 Ų67.310%0.138%0.377CS..EExtended strand (participates in β ladder)trans-140.8117.8168.6179.760.7170.1-161.40110F13 A22 V23 T48 L52 E57 T58K11-F13 HydrophobicContact CD-CZ 4.27Å; K11-F13 VanDerWaalsContact CE-CE1 3.45Å; K11-F13 HydrophobicContact CG-CD2 4.43Å; K11-F13 HydrophobicContact CG-CE2 3.75Å; K11-F13 HydrophobicContact CG-CZ 3.88Å; K11-A22 PolarHBondContact O-N 2.62Å; K11-V23 HydrophobicContact CB-CB 4Å; K11-V23 PolarHBondContact N-O 2.83Å; K11-V23 PolarHBondContact O-N 3.27Å; K11-V23 VanDerWaalsContact O-N 3.14Å; K11-T48 HydrophobicContact CB-CG2 3.99Å; K11-T48 HydrophobicContact CG-CG2 3.64Å; K11-L52 HydrophobicContact CB-CD1 4.11Å; K11-L52 HydrophobicContact CB-CD2 4.46Å; K11-E57 WeakPolarHBondContact CE-OE2 3.45Å; K11-E57 IonicContact NZ-OE2 2.71Å; K11-E57 PolarHBondContact NZ-OE2 2.96Å; K11-T58 VanDerWaalsContact CD-O 3.31Å; K11-T58 WeakPolarHBondContact CD-O 3.07Å; K11-T58 PolarHBondContact NZ-O 3.38Å
12S96.2Very high93.9Very high33 Ų3358.8 Ų58.823%0.23134%0.337CS..EExtended strand (participates in β ladder)trans-114.4140.2177.5-53.10000110.7I20 H21 T60S12-I20 CarbonylContact C-O 3.48Å; S12-I20 WeakPolarHBondContact CA-O 3.25Å; S12-H21 PolarHBondContact OG-CE1 3.49Å; S12-H21 PolarHBondContact OG-ND1 3.03Å; S12-T60 PolarHBondContact N-OG1 2.88Å
13F94.8Very high94.3Very high73 Ų7358 Ų5832%0.3233%0.331SS..EExtended strand (participates in β ladder)trans-114.5150172.2-63.5-83.1000110.2K11 G15 P19 I20 A22 T48K11-F13 HydrophobicContact CD-CZ 4.27Å; K11-F13 VanDerWaalsContact CE-CE1 3.45Å; K11-F13 HydrophobicContact CG-CD2 4.43Å; K11-F13 HydrophobicContact CG-CE2 3.75Å; K11-F13 HydrophobicContact CG-CZ 3.88Å; F13-G15 PolarHBondContact O-N 3.25Å; F13-P19 WeakPolarHBondContact O-CA 3.43Å; F13-I20 PolarHBondContact N-O 3.33Å; F13-I20 PolarHBondContact O-N 3.04Å; F13-A22 HydrophobicContact CD2-CB 3.81Å; F13-A22 HydrophobicContact CE2-CB 3.68Å; F13-T48 HydrophobicContact CE2-CG2 3.87Å; F13-T48 HydrophobicContact CZ-CG2 4.15Å
14A92.2Very high94.3Very high109 Ų10960.7 Ų60.790%0.90135%0.345SS*.EExtended strand (participates in β ladder)trans-72110.5172.700000109.7
15G88.2Confident94.3Very high27 Ų2762 Ų6228%0.27836%0.359SS..EExtended strand (participates in β ladder)trans-95.8168.2173.500000112.4F13 T17 G18F13-G15 PolarHBondContact O-N 3.25Å; G15-T17 VanDerWaalsContact C-N 3.31Å; G15-T17 PolarHBondContact O-N 3.24Å; G15-G18 CarbonylContact C-O 3.54Å; G15-G18 WeakPolarHBondContact CA-O 3.5Å; G15-G18 PolarHBondContact N-O 3Å
16K87.7Confident94.3Very high222 Ų22259.5 Ų59.597%0.96535%0.347SS*.THydrogen-bonded Turntrans-65.3-32.5179-68.1-177178.6179.30113.3
17T88.3Confident94.2Very high148 Ų14862.8 Ų62.891%0.90837%0.365SS*.THydrogen-bonded Turntrans-109.57.3-17553.40000113.3G15G15-T17 VanDerWaalsContact C-N 3.31Å; G15-T17 PolarHBondContact O-N 3.24Å
18G90.2Very high94.2Very high33 Ų3360.3 Ų60.334%0.3435%0.351SS..EExtended strand (participates in β ladder)trans139.3177.5-17300000112.4G15G15-G18 CarbonylContact C-O 3.54Å; G15-G18 WeakPolarHBondContact CA-O 3.5Å; G15-G18 PolarHBondContact N-O 3Å
19P90.3Very high94.2Very high90 Ų9057.1 Ų57.158%0.58435%0.345SS*.EExtended strand (participates in β ladder)trans-64.8136176.527.6-33.5000111.1F13F13-P19 WeakPolarHBondContact O-CA 3.43Å
20I92.7Very high94.2Very high99 Ų9957.1 Ų57.151%0.50835%0.345SS..EExtended strand (participates in β ladder)trans-101.7110.9172.3-60.4171.8000107.5S12 F13 A22S12-I20 CarbonylContact C-O 3.48Å; S12-I20 WeakPolarHBondContact CA-O 3.25Å; F13-I20 PolarHBondContact N-O 3.33Å; F13-I20 PolarHBondContact O-N 3.04Å; I20-A22 PolarHBondContact O-N 3.18Å; I20-A22 VanDerWaalsContact O-N 3.17Å
21H94.4Very high94.2Very high94 Ų9460.1 Ų60.144%0.43536%0.358SS..EExtended strand (participates in β ladder)trans-82.288.5176.8-58.3-66.9000109.9S12 V23 N24S12-H21 PolarHBondContact OG-CE1 3.49Å; S12-H21 PolarHBondContact OG-ND1 3.03Å; H21-V23 VanDerWaalsContact C-N 3.33Å; H21-N24 HydrophobicContact CB-CB 4.34Å
22A95.4Very high94.1Very high14 Ų1464.8 Ų64.812%0.11638%0.38CS..EExtended strand (participates in β ladder)trans-70.6-31.8-179.900000112.4K11 F13 I20 G45 T48 G219K11-A22 PolarHBondContact O-N 2.62Å; F13-A22 HydrophobicContact CD2-CB 3.81Å; F13-A22 HydrophobicContact CE2-CB 3.68Å; I20-A22 PolarHBondContact O-N 3.18Å; I20-A22 VanDerWaalsContact O-N 3.17Å; A22-G45 WeakPolarHBondContact O-CA 3.49Å; A22-T48 HydrophobicContact CB-CG2 3.98Å; A22-G219 VanDerWaalsContact O-CA 3.28Å; A22-G219 WeakPolarHBondContact O-CA 3.39Å
23V96.9Very high94.1Very high1 Ų169.5 Ų69.51%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-134.5133.5172.2169.70000107.2V9 G10 K11 H21 I26 T48 L49 L52 G219V9-V23 HydrophobicContact CG1-CG1 4.07Å; V9-V23 WeakPolarHBondContact O-CG1 3.36Å; G10-V23 CarbonylContact C-O 3.54Å; G10-V23 WeakPolarHBondContact CA-O 3.46Å; K11-V23 HydrophobicContact CB-CB 4Å; K11-V23 PolarHBondContact N-O 2.83Å; K11-V23 PolarHBondContact O-N 3.27Å; K11-V23 VanDerWaalsContact O-N 3.14Å; H21-V23 VanDerWaalsContact C-N 3.33Å; V23-I26 HydrophobicContact CB-CD1 4.45Å; V23-I26 HydrophobicContact CG1-CB 4.18Å; V23-I26 HydrophobicContact CG1-CD1 3.6Å; V23-I26 HydrophobicContact CG1-CG1 3.83Å; V23-I26 HydrophobicContact CG2-CD1 4.48Å; V23-T48 HydrophobicContact CG2-CG2 3.94Å; V23-L49 HydrophobicContact CG1-CD1 4.33Å; V23-L49 HydrophobicContact CG2-CB 4.21Å; V23-L49 HydrophobicContact CG2-CD1 4.33Å; V23-L52 HydrophobicContact CB-CD1 4.35Å; V23-L52 HydrophobicContact CG1-CD1 4.34Å; V23-L52 HydrophobicContact CG2-CD1 4.1Å; V23-G219 CarbonylContact C-O 3.53Å; V23-G219 WeakPolarHBondContact CA-O 3.47Å
24N96.4Very high94.2Very high65 Ų6566.7 Ų66.735%0.34839%0.385SS..EExtended strand (participates in β ladder)trans-140.691.2-166.8-171.22.5000112.3H21 G219 K220H21-N24 HydrophobicContact CB-CB 4.34Å; N24-G219 PolarHBondContact N-O 3.27Å; N24-K220 HydrophobicContact CB-CG 4.14Å; N24-K220 WeakPolarHBondContact ND2-CE 3.42Å
25G95.8Very high94.4Very high28 Ų2861.8 Ų61.829%0.28934%0.344SS..EExtended strand (participates in β ladder)trans6835.2174.200000113.8V9 N27V9-G25 CarbonylContact O-C 3.59Å; V9-G25 WeakPolarHBondContact O-CA 3.29Å; V9-G25 PolarHBondContact O-N 2.97Å; G25-N27 PolarHBondContact O-N 2.97Å; G25-N27 PolarHBondContact O-ND2 2.97Å
26I96.9Very high94.9Very high4 Ų460.8 Ų60.82%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-71.7130.4-177.4-68.7-174.6000110.3L6 Q8 V9 V23 L28 L49 M216 I221L6-I26 HydrophobicContact CB-CG2 4.48Å; L6-I26 HydrophobicContact CD1-CG2 3.97Å; Q8-I26 PolarHBondContact N-O 3.07Å; V9-I26 PolarHBondContact N-O 3.09Å; V9-I26 PolarHBondContact O-N 3.41Å; V23-I26 HydrophobicContact CB-CD1 4.45Å; V23-I26 HydrophobicContact CG1-CB 4.18Å; V23-I26 HydrophobicContact CG1-CD1 3.6Å; V23-I26 HydrophobicContact CG1-CG1 3.83Å; V23-I26 HydrophobicContact CG2-CD1 4.48Å; I26-L28 HydrophobicContact CG2-CB 4.14Å; I26-L49 HydrophobicContact CD1-CD1 4.07Å; I26-L49 HydrophobicContact CD1-CD2 4.09Å; I26-M216 HydrophobicContact CD1-CE 3.64Å; I26-M216 HydrophobicContact CD1-SD 4.5Å; I26-I221 HydrophobicContact CD1-CG1 4.2Å; I26-I221 HydrophobicContact CG1-CG1 4.33Å; I26-I221 HydrophobicContact CG2-CD1 3.56Å; I26-I221 HydrophobicContact CG2-CG1 4Å
27N97.1Very high95.3Very high71 Ų7150.2 Ų50.238%0.3829%0.286SS..EExtended strand (participates in β ladder)trans-112.6133.4162.1-54.4-82.1000107.9L6 Q8 G25L6-N27 VanDerWaalsContact O-CA 3.23Å; L6-N27 WeakPolarHBondContact O-CA 3.18Å; Q8-N27 PolarHBondContact N-OD1 3.26Å; Q8-N27 PolarHBondContact NE2-ND2 3.29Å; Q8-N27 PolarHBondContact NE2-OD1 3.08Å; G25-N27 PolarHBondContact O-N 2.97Å; G25-N27 PolarHBondContact O-ND2 2.97Å
28L96.6Very high95.8Very high9 Ų943.2 Ų43.25%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-157.6134.4-177179.962.8000109.5E5 L6 I26 I30 Y36 I38 A214 I221E5-L28 CarbonylContact C-O 3.55Å; E5-L28 WeakPolarHBondContact CA-O 3.24Å; L6-L28 HydrophobicContact CB-CB 4.05Å; L6-L28 HydrophobicContact CD1-CB 3.98Å; L6-L28 HydrophobicContact CD1-CD2 4.11Å; L6-L28 HydrophobicContact CG-CB 4.08Å; L6-L28 PolarHBondContact N-O 2.95Å; L6-L28 PolarHBondContact O-N 3.49Å; L6-L28 VanDerWaalsContact O-N 3.12Å; I26-L28 HydrophobicContact CG2-CB 4.14Å; L28-I30 HydrophobicContact CD2-CD1 4.06Å; L28-I30 HydrophobicContact CD2-CG1 4.27Å; L28-I30 HydrophobicContact CG-CD1 4.47Å; L28-I30 HydrophobicContact CG-CG1 4.13Å; L28-Y36 HydrophobicContact CD1-CE1 3.93Å; L28-Y36 HydrophobicContact CD1-CE2 4.2Å; L28-Y36 WeakPolarHBondContact CD1-OH 3.49Å; L28-I38 HydrophobicContact CD2-CD1 4.31Å; L28-A214 HydrophobicContact CD1-CB 4.5Å; L28-I221 HydrophobicContact CB-CD1 4.03Å; L28-I221 HydrophobicContact CD1-CD1 3.99Å; L28-I221 HydrophobicContact CD2-CD1 4.28Å; L28-I221 HydrophobicContact CG-CD1 4.32Å
29A97.1Very high96Very high51 Ų5141.6 Ų41.642%0.42123%0.226SC..EExtended strand (participates in β ladder)trans-124125.717400000110A2 I4A2-A29 HydrophobicContact CB-CB 4Å; I4-A29 WeakPolarHBondContact O-CA 3.1Å
30I97.4Very high96.3Very high0 Ų037.3 Ų37.30%020%0.198CC..EExtended strand (participates in β ladder)trans-118.7125.7177.6-51.1179.7000107.9A2 L3 I4 L28 D34 Y36 T195 V197A2-I30 CarbonylContact C-O 3.57Å; L3-I30 PolarHBondContact N-O 3.31Å; I4-I30 HydrophobicContact CB-CB 4.1Å; I4-I30 HydrophobicContact CB-CG1 4.46Å; I4-I30 HydrophobicContact CD1-CB 4.47Å; I4-I30 HydrophobicContact CD1-CD1 4.2Å; I4-I30 PolarHBondContact N-O 3.03Å; I4-I30 VanDerWaalsContact N-O 3.12Å; I4-I30 PolarHBondContact O-N 3.31Å; L28-I30 HydrophobicContact CD2-CD1 4.06Å; L28-I30 HydrophobicContact CD2-CG1 4.27Å; L28-I30 HydrophobicContact CG-CD1 4.47Å; L28-I30 HydrophobicContact CG-CG1 4.13Å; I30-D34 HydrophobicContact CG2-CB 3.91Å; I30-Y36 HydrophobicContact CB-CD2 4.25Å; I30-Y36 HydrophobicContact CD1-CD1 4.09Å; I30-Y36 HydrophobicContact CD1-CD2 4.25Å; I30-Y36 HydrophobicContact CD1-CG 3.85Å; I30-Y36 HydrophobicContact CG1-CD1 4.39Å; I30-Y36 HydrophobicContact CG1-CD2 3.76Å; I30-Y36 HydrophobicContact CG1-CE2 4.15Å; I30-Y36 HydrophobicContact CG1-CG 3.9Å; I30-Y36 HydrophobicContact CG2-CD2 3.92Å; I30-Y36 HydrophobicContact CG2-CG 4.11Å; I30-T195 HydrophobicContact CG2-CG2 4Å; I30-V197 HydrophobicContact CD1-CG1 4.07Å; I30-V197 HydrophobicContact CD1-CG2 3.62Å
31E96.5Very high96.2Very high68 Ų6837.3 Ų37.332%0.31819%0.193SC..EExtended strand (participates in β ladder)trans-86.2163.2-178.4-60.5-71.6156.200110.9M1 A2 D34M1-E31 PolarHBondContact N-OE2 3.23Å; M1-E31 VanDerWaalsContact O-OE2 3.09Å; A2-E31 PolarHBondContact N-OE2 3.26Å; E31-D34 PolarHBondContact N-OD2 3.34Å; E31-D34 WeakPolarHBondContact O-CB 3.42Å; E31-D34 PolarHBondContact O-N 3.15Å
32E95.7Very high96Very high122 Ų12238.3 Ų38.357%0.5721%0.21SC*.THydrogen-bonded Turntrans-57.3141172.3-69.1-178.2-172.300111.6L3 D34L3-E32 HydrophobicContact CB-CG 3.93Å; L3-E32 HydrophobicContact CD1-CG 4.1Å; L3-E32 HydrophobicContact CD2-CG 4.28Å; L3-E32 HydrophobicContact CG-CG 4.34Å; E32-D34 PolarHBondContact O-N 3.43Å
33K95.3Very high95.8Very high132 Ų13241.3 Ų41.357%0.57424%0.242SC*.THydrogen-bonded Turntrans68.13.7178.3-51.7175-179.3175.20115N189 G193 T195K33-N189 PolarHBondContact O-ND2 2.8Å; K33-G193 WeakPolarHBondContact CG-O 3.43Å; K33-T195 PolarHBondContact N-OG1 2.93Å
34D96.5Very high95.6Very high13 Ų1341.6 Ų41.67%0.0725%0.245CC..  trans-62145.7171-81.6-19000110.7I30 E31 E32 T195 I196 N211 K212I30-D34 HydrophobicContact CG2-CB 3.91Å; E31-D34 PolarHBondContact N-OD2 3.34Å; E31-D34 WeakPolarHBondContact O-CB 3.42Å; E31-D34 PolarHBondContact O-N 3.15Å; E32-D34 PolarHBondContact O-N 3.43Å; D34-T195 WeakPolarHBondContact O-CA 3.46Å; D34-I196 PolarHBondContact O-N 3.26Å; D34-N211 PolarHBondContact OD1-ND2 3.17Å; D34-K212 IonicContact OD1-NZ 3.52Å; D34-K212 WeakPolarHBondContact OD2-CD 3.43Å; D34-K212 WeakPolarHBondContact OD2-CE 3.43Å; D34-K212 IonicContact OD2-NZ 3.9Å; D34-K212 PolarHBondContact OD2-NZ 2.95Å
35V97.3Very high95.5Very high7 Ų738.8 Ų38.84%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-10690.1159.4-175.80000105.9N189 I196 L198 I209 C210 N211V35-N189 HydrophobicContact CG2-CB 3.88Å; V35-N189 VanDerWaalsContact CG2-CG 3.41Å; V35-N189 WeakPolarHBondContact CG2-ND2 3.39Å; V35-I196 CarbonylContact C-O 3.54Å; V35-I196 WeakPolarHBondContact CA-O 3.45Å; V35-I196 HydrophobicContact CG1-CB 4.2Å; V35-I196 HydrophobicContact CG1-CG2 4.37Å; V35-I196 HydrophobicContact CG2-CB 4.41Å; V35-L198 HydrophobicContact CG1-CD2 3.87Å; V35-I209 WeakPolarHBondContact CB-O 3.35Å; V35-I209 HydrophobicContact CG1-CD1 4.37Å; V35-I209 HydrophobicContact CG1-CG1 4.31Å; V35-I209 VanDerWaalsContact CG1-O 3.24Å; V35-I209 WeakPolarHBondContact CG1-O 3.34Å; V35-C210 CarbonylContact O-C 3.58Å; V35-C210 WeakPolarHBondContact O-CA 3.46Å; V35-C210 VanDerWaalsContact O-CB 3.26Å; V35-C210 WeakPolarHBondContact O-CB 3.47Å; V35-N211 VanDerWaalsContact C-OD1 3.28Å; V35-N211 PolarHBondContact N-OD1 2.84Å; V35-N211 PolarHBondContact O-N 2.73Å; V35-N211 PolarHBondContact O-OD1 3.24Å
36Y97.9Very high95.5Very high6 Ų637.8 Ų37.82%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-92.9122.3-171.3-157.4-73.4000110.9L28 I30 I38 I196 V197 L198 K212 A214L28-Y36 HydrophobicContact CD1-CE1 3.93Å; L28-Y36 HydrophobicContact CD1-CE2 4.2Å; L28-Y36 WeakPolarHBondContact CD1-OH 3.49Å; I30-Y36 HydrophobicContact CB-CD2 4.25Å; I30-Y36 HydrophobicContact CD1-CD1 4.09Å; I30-Y36 HydrophobicContact CD1-CD2 4.25Å; I30-Y36 HydrophobicContact CD1-CG 3.85Å; I30-Y36 HydrophobicContact CG1-CD1 4.39Å; I30-Y36 HydrophobicContact CG1-CD2 3.76Å; I30-Y36 HydrophobicContact CG1-CE2 4.15Å; I30-Y36 HydrophobicContact CG1-CG 3.9Å; I30-Y36 HydrophobicContact CG2-CD2 3.92Å; I30-Y36 HydrophobicContact CG2-CG 4.11Å; Y36-I38 HydrophobicContact CD1-CG1 4.08Å; Y36-I38 HydrophobicContact CE1-CG1 4.24Å; Y36-I196 PolarHBondContact N-O 2.88Å; Y36-V197 WeakPolarHBondContact O-CA 3.43Å; Y36-L198 PolarHBondContact O-N 2.9Å; Y36-K212 HydrophobicContact CD2-CB 3.6Å; Y36-K212 HydrophobicContact CD2-CD 4.1Å; Y36-K212 HydrophobicContact CE2-CB 3.56Å; Y36-K212 HydrophobicContact CE2-CD 3.94Å; Y36-K212 HydrophobicContact CE2-CG 4.43Å; Y36-K212 HydrophobicContact CG-CB 4.39Å; Y36-A214 HydrophobicContact CE1-CB 3.77Å
37G97.6Very high95.4Very high0 Ų039.1 Ų39.10%023%0.229CC..EExtended strand (participates in β ladder)trans-93.5136.9176.500000112.8L198 C210 K212 V213 A214G37-L198 CarbonylContact C-O 3.58Å; G37-L198 WeakPolarHBondContact CA-O 3.47Å; G37-C210 VanDerWaalsContact CA-SG 3.52Å; G37-K212 PolarHBondContact N-O 3.22Å; G37-V213 CarbonylContact O-C 3.56Å; G37-V213 VanDerWaalsContact O-CA 3.25Å; G37-V213 WeakPolarHBondContact O-CA 3.32Å; G37-A214 PolarHBondContact O-N 3.31Å
38I97.5Very high95.3Very high0 Ų036.7 Ų36.70%022%0.217CC..EExtended strand (participates in β ladder)trans-122.7112.1166.8-43.7179.6000108.2L28 Y36 L49 V197 L198 I199 T200 A214 M216L28-I38 HydrophobicContact CD2-CD1 4.31Å; Y36-I38 HydrophobicContact CD1-CG1 4.08Å; Y36-I38 HydrophobicContact CE1-CG1 4.24Å; I38-L49 HydrophobicContact CD1-CD2 3.69Å; I38-L49 HydrophobicContact CD1-CG 4.46Å; I38-L49 HydrophobicContact CG2-CD2 4.39Å; I38-V197 HydrophobicContact CD1-CG1 3.93Å; I38-V197 HydrophobicContact CG1-CG1 4.32Å; I38-L198 PolarHBondContact N-O 2.81Å; I38-I199 HydrophobicContact CB-CG2 3.77Å; I38-I199 HydrophobicContact CD1-CG2 4.17Å; I38-I199 HydrophobicContact CG1-CG2 4.19Å; I38-I199 VanDerWaalsContact O-CA 3.28Å; I38-I199 WeakPolarHBondContact O-CA 3.4Å; I38-T200 PolarHBondContact O-N 3.35Å; I38-T200 VanDerWaalsContact O-N 3.11Å; I38-A214 WeakPolarHBondContact CA-O 3.33Å; I38-M216 HydrophobicContact CG2-CB 4.49Å; I38-M216 HydrophobicContact CG2-CG 3.56Å; I38-M216 HydrophobicContact CG2-SD 3.37Å; I38-M216 WeakPolarHBondContact CG2-SD 3.37Å
39V95.7Very high95.3Very high0 Ų036.3 Ų36.30%022%0.215CC..EExtended strand (participates in β ladder)trans-114.3151.9-173.6670000111T200 M203 I206 V213 A214 V215 M216 F242V39-T200 WeakPolarHBondContact CA-O 3.26Å; V39-T200 HydrophobicContact CG2-CG2 4.42Å; V39-M203 HydrophobicContact CB-CE 4.46Å; V39-M203 HydrophobicContact CG1-CE 3.68Å; V39-M203 HydrophobicContact CG1-SD 4.48Å; V39-M203 HydrophobicContact CG2-CE 4.13Å; V39-I206 HydrophobicContact CB-CD1 4.47Å; V39-I206 HydrophobicContact CB-CG1 4.07Å; V39-I206 HydrophobicContact CG2-CG1 4.42Å; V39-V213 HydrophobicContact CG1-CG2 3.74Å; V39-A214 PolarHBondContact N-O 2.82Å; V39-V215 HydrophobicContact CG1-CB 4.29Å; V39-V215 HydrophobicContact CG1-CG1 4.35Å; V39-V215 HydrophobicContact CG1-CG2 3.81Å; V39-V215 CarbonylContact O-C 3.57Å; V39-V215 WeakPolarHBondContact O-CA 3.44Å; V39-M216 PolarHBondContact O-N 3.2Å; V39-F242 HydrophobicContact CG2-CD1 4.42Å; V39-F242 HydrophobicContact CG2-CE1 4.35Å; V39-F242 HydrophobicContact CG2-CZ 4.47Å
40G94.7Very high95.2Very high0 Ų033.9 Ų33.90%019%0.194CC..  trans164.5164.8178.800000111.5K46 T200 M216G40-K46 PolarHBondContact O-NZ 2.94Å; G40-T200 PolarHBondContact N-O 2.96Å; G40-M216 WeakPolarHBondContact CA-O 3.13Å
41Y91.8Very high95.1Very high98 Ų9838.6 Ų38.638%0.38421%0.212SC..  trans-63.2166.7179.4-69.5-64.7000112.7G43 A44 K46 V238 I241 F242Y41-G43 PolarHBondContact O-N 2.8Å; Y41-A44 WeakPolarHBondContact O-CB 3.26Å; Y41-A44 PolarHBondContact O-N 3.28Å; Y41-K46 PolarHBondContact O-NZ 3.03Å; Y41-V238 HydrophobicContact CD2-CG2 4.09Å; Y41-V238 HydrophobicContact CE2-CG2 3.71Å; Y41-I241 VanDerWaalsContact OH-CG2 3.29Å; Y41-I241 WeakPolarHBondContact OH-CG2 3.36Å; Y41-F242 HydrophobicContact CD1-CE1 4.39Å; Y41-F242 AromaticContact CD1-CZ 3.87Å; Y41-F242 HydrophobicContact CD1-CZ 3.87Å; Y41-F242 HydrophobicContact CD2-CE2 4.3Å; Y41-F242 HydrophobicContact CD2-CZ 4.18Å; Y41-F242 HydrophobicContact CE1-CE1 4.11Å; Y41-F242 AromaticContact CE1-CZ 3.83Å; Y41-F242 HydrophobicContact CE1-CZ 3.83Å; Y41-F242 HydrophobicContact CE2-CE2 4.14Å; Y41-F242 HydrophobicContact CE2-CZ 4.16Å; Y41-F242 HydrophobicContact CG-CZ 4.03Å; Y41-F242 AromaticContact CZ-CZ 3.98Å
42S89.4Confident95.1Very high116 Ų11635.4 Ų35.481%0.81120%0.198SC*.THydrogen-bonded Turntrans-57136.1170.4-172.40000110A44S42-A44 VanDerWaalsContact C-N 3.31Å; S42-A44 PolarHBondContact O-N 2.87Å
43G90.7Very high95.1Very high76 Ų7629.8 Ų29.878%0.78417%0.171SC*.THydrogen-bonded Turntrans79.70.4-176.900000116Y41 G45Y41-G43 PolarHBondContact O-N 2.8Å; G43-G45 PolarHBondContact O-N 3.03Å; G43-G45 VanDerWaalsContact O-N 3.14Å
44A93.6Very high95.1Very high7 Ų724.1 Ų24.16%0.05815%0.147CC..SBendtrans-67.2-11.3179.500000115.2Y41 S42 K46 M216 G219Y41-A44 WeakPolarHBondContact O-CB 3.26Å; Y41-A44 PolarHBondContact O-N 3.28Å; S42-A44 VanDerWaalsContact C-N 3.31Å; S42-A44 PolarHBondContact O-N 2.87Å; A44-K46 HydrophobicContact CB-CG 4.47Å; A44-M216 HydrophobicContact CB-CB 4.32Å; A44-G219 WeakPolarHBondContact O-CA 3.37Å; A44-G219 PolarHBondContact O-N 3.3Å
45G94.8Very high95Very high7 Ų724 Ų247%0.07215%0.149CC..SBendtrans108.8-2.8179.800000115.9A22 G43 S47 T48 L49A22-G45 WeakPolarHBondContact O-CA 3.49Å; G43-G45 PolarHBondContact O-N 3.03Å; G43-G45 VanDerWaalsContact O-N 3.14Å; G45-S47 PolarHBondContact O-N 3.07Å; G45-T48 WeakPolarHBondContact O-CB 3.39Å; G45-T48 PolarHBondContact O-N 3.29Å; G45-T48 VanDerWaalsContact O-N 3.16Å; G45-L49 PolarHBondContact O-N 3.17Å
46K95.6Very high94.8Very high7 Ų727.3 Ų27.33%0.0317%0.166CC..Hα-helixtrans-54.1-53.7-173.7-48.6-174.5-56.9-81.80113.9G40 Y41 A44 T48 L49 V50 E168 I199 T200 M216G40-K46 PolarHBondContact O-NZ 2.94Å; Y41-K46 PolarHBondContact O-NZ 3.03Å; A44-K46 HydrophobicContact CB-CG 4.47Å; K46-T48 VanDerWaalsContact C-N 3.27Å; K46-T48 PolarHBondContact O-N 2.97Å; K46-L49 WeakPolarHBondContact O-CB 3.31Å; K46-L49 PolarHBondContact O-N 2.93Å; K46-L49 VanDerWaalsContact O-N 3.07Å; K46-V50 PolarHBondContact O-N 3.03Å; K46-E168 IonicContact NZ-OE1 2.8Å; K46-I199 HydrophobicContact CB-CB 4.07Å; K46-I199 HydrophobicContact CB-CD1 3.84Å; K46-I199 HydrophobicContact CB-CG2 4.37Å; K46-T200 WeakPolarHBondContact CD-O 3.13Å; K46-T200 WeakPolarHBondContact CE-O 3.36Å; K46-M216 HydrophobicContact CG-SD 4.19Å
47S94.2Very high94.6Very high32 Ų3229.4 Ų29.422%0.22418%0.176CC..Hα-helixtrans-66.5-30.9-178.5-50.60000112.1G45 R51 D167G45-S47 PolarHBondContact O-N 3.07Å; S47-R51 WeakPolarHBondContact O-CB 3.22Å; S47-R51 WeakPolarHBondContact O-CD 3.44Å; S47-R51 WeakPolarHBondContact O-CG 3.38Å; S47-R51 PolarHBondContact O-N 2.88Å; S47-R51 VanDerWaalsContact O-N 3.11Å; S47-D167 PolarHBondContact OG-OD1 2.92Å
48T95.4Very high94.4Very high20 Ų2033.4 Ų33.412%0.12320%0.201CC..Hα-helixtrans-64.4-45.8170.6-58.40000110.5K11 F13 A22 V23 G45 K46 V50 R51 L52K11-T48 HydrophobicContact CB-CG2 3.99Å; K11-T48 HydrophobicContact CG-CG2 3.64Å; F13-T48 HydrophobicContact CE2-CG2 3.87Å; F13-T48 HydrophobicContact CZ-CG2 4.15Å; A22-T48 HydrophobicContact CB-CG2 3.98Å; V23-T48 HydrophobicContact CG2-CG2 3.94Å; G45-T48 WeakPolarHBondContact O-CB 3.39Å; G45-T48 PolarHBondContact O-N 3.29Å; G45-T48 VanDerWaalsContact O-N 3.16Å; K46-T48 VanDerWaalsContact C-N 3.27Å; K46-T48 PolarHBondContact O-N 2.97Å; T48-V50 PolarHBondContact O-N 2.77Å; T48-R51 PolarHBondContact O-N 2.75Å; T48-L52 HydrophobicContact CG2-CD1 4.48Å; T48-L52 WeakPolarHBondContact O-CG 3.45Å; T48-L52 PolarHBondContact O-N 2.79Å
49L96.6Very high94.4Very high0 Ų034.3 Ų34.30%021%0.207CC..Hα-helixtrans-57.8-48.2178.5-171.360.6000112L6 V23 I26 I38 G45 K46 R51 L52 L53 M216L6-L49 HydrophobicContact CD1-CD1 3.43Å; L6-L49 VanDerWaalsContact CD1-CD1 3.43Å; L6-L49 HydrophobicContact CD1-CG 4.3Å; V23-L49 HydrophobicContact CG1-CD1 4.33Å; V23-L49 HydrophobicContact CG2-CB 4.21Å; V23-L49 HydrophobicContact CG2-CD1 4.33Å; I26-L49 HydrophobicContact CD1-CD1 4.07Å; I26-L49 HydrophobicContact CD1-CD2 4.09Å; I38-L49 HydrophobicContact CD1-CD2 3.69Å; I38-L49 HydrophobicContact CD1-CG 4.46Å; I38-L49 HydrophobicContact CG2-CD2 4.39Å; G45-L49 PolarHBondContact O-N 3.17Å; K46-L49 WeakPolarHBondContact O-CB 3.31Å; K46-L49 PolarHBondContact O-N 2.93Å; K46-L49 VanDerWaalsContact O-N 3.07Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 2.8Å; L49-L52 HydrophobicContact CD1-CD1 4.49Å; L49-L52 WeakPolarHBondContact O-CB 3.34Å; L49-L52 PolarHBondContact O-N 3.26Å; L49-L52 VanDerWaalsContact O-N 3.15Å; L49-L53 PolarHBondContact O-N 3.18Å; L49-M216 HydrophobicContact CB-SD 4.45Å; L49-M216 HydrophobicContact CD2-CE 4.16Å; L49-M216 HydrophobicContact CD2-SD 3.53Å; L49-M216 VanDerWaalsContact CD2-SD 3.53Å
50V95.8Very high94.4Very high0 Ų037.8 Ų37.80%023%0.228CC..Hα-helixtrans-60.4-40.2176.3172.20000112.3K46 T48 L52 L53 N54 M88 L165 I199K46-V50 PolarHBondContact O-N 3.03Å; T48-V50 PolarHBondContact O-N 2.77Å; V50-L52 VanDerWaalsContact C-N 3.28Å; V50-L52 PolarHBondContact O-N 3.38Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.83Å; V50-N54 PolarHBondContact O-N 3.5Å; V50-M88 HydrophobicContact CG1-CE 4.04Å; V50-L165 HydrophobicContact CG1-CB 3.92Å; V50-L165 HydrophobicContact CG1-CD1 4.09Å; V50-L165 HydrophobicContact CG1-CG 4.49Å; V50-I199 HydrophobicContact CB-CD1 4.23Å; V50-I199 HydrophobicContact CG2-CB 4.2Å; V50-I199 HydrophobicContact CG2-CD1 3.56Å; V50-I199 HydrophobicContact CG2-CG1 3.9Å; V50-I199 HydrophobicContact CG2-CG2 3.23Å
51R95.1Very high94.5Very high100 Ų10042.4 Ų42.438%0.37725%0.253SS..Hα-helixtrans-66.7-30.1178.4-73.4170.8-170.9172.45.7112.6S47 T48 L49 G55 L56 E57S47-R51 WeakPolarHBondContact O-CB 3.22Å; S47-R51 WeakPolarHBondContact O-CD 3.44Å; S47-R51 WeakPolarHBondContact O-CG 3.38Å; S47-R51 PolarHBondContact O-N 2.88Å; S47-R51 VanDerWaalsContact O-N 3.11Å; T48-R51 PolarHBondContact O-N 2.75Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 2.8Å; R51-G55 PolarHBondContact O-N 2.75Å; R51-L56 HydrophobicContact CB-CB 3.96Å; R51-L56 HydrophobicContact CG-CB 4.18Å; R51-L56 HydrophobicContact CG-CD1 4.21Å; R51-L56 PolarHBondContact O-N 3.49Å; R51-E57 HydrophobicContact CB-CB 4.16Å; R51-E57 HydrophobicContact CB-CG 3.83Å; R51-E57 PolarHBondContact O-N 3.25Å; R51-E57 VanDerWaalsContact O-N 3.17Å
52L96.3Very high94.7Very high1 Ų139.7 Ų39.71%0.00525%0.254CS..Hα-helixtrans-65.1-41.7172.1-65.6167.7000110.9V9 K11 V23 T48 L49 V50 N54 G55 E57 P59 V64V9-L52 HydrophobicContact CG1-CD1 3.79Å; K11-L52 HydrophobicContact CB-CD1 4.11Å; K11-L52 HydrophobicContact CB-CD2 4.46Å; V23-L52 HydrophobicContact CB-CD1 4.35Å; V23-L52 HydrophobicContact CG1-CD1 4.34Å; V23-L52 HydrophobicContact CG2-CD1 4.1Å; T48-L52 HydrophobicContact CG2-CD1 4.48Å; T48-L52 WeakPolarHBondContact O-CG 3.45Å; T48-L52 PolarHBondContact O-N 2.79Å; L49-L52 HydrophobicContact CD1-CD1 4.49Å; L49-L52 WeakPolarHBondContact O-CB 3.34Å; L49-L52 PolarHBondContact O-N 3.26Å; L49-L52 VanDerWaalsContact O-N 3.15Å; V50-L52 VanDerWaalsContact C-N 3.28Å; V50-L52 PolarHBondContact O-N 3.38Å; L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 2.9Å; L52-G55 PolarHBondContact O-N 2.83Å; L52-E57 HydrophobicContact CD2-CB 3.75Å; L52-E57 HydrophobicContact CG-CB 4.27Å; L52-P59 HydrophobicContact CD2-CB 4.15Å; L52-V64 HydrophobicContact CB-CG2 4.31Å
53L95.8Very high95Very high3 Ų338.3 Ų38.32%0.01624%0.235CC..Hα-helixtrans-60.4-35.6179.3-60.3-178.3000113.2I4 L6 L49 V50 V64 F82 L165 V197I4-L53 HydrophobicContact CG2-CD2 3.58Å; L6-L53 HydrophobicContact CD1-CD2 4.41Å; L6-L53 HydrophobicContact CD2-CD2 3.6Å; L6-L53 HydrophobicContact CG-CD2 4.36Å; L49-L53 PolarHBondContact O-N 3.18Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.83Å; L53-V64 HydrophobicContact CD2-CG1 4.1Å; L53-F82 WeakPolarHBondContact O-CZ 3.42Å; L53-L165 HydrophobicContact CB-CD1 3.99Å; L53-L165 HydrophobicContact CB-CD2 4.33Å; L53-L165 HydrophobicContact CD1-CD2 3.93Å; L53-V197 HydrophobicContact CD1-CG1 4.21Å
54N94Very high95.3Very high13 Ų1334.7 Ų34.77%0.0720%0.198CC..THydrogen-bonded Turntrans-91.91.6177.6-158.711.1000113.8V50 L52 L56 R83 V86 L165V50-N54 PolarHBondContact O-N 3.5Å; L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 2.9Å; N54-L56 HydrophobicContact CB-CG 4.43Å; N54-L56 PolarHBondContact O-N 3.04Å; N54-R83 PolarHBondContact O-NE 3.43Å; N54-R83 WeakPolarHBondContact OD1-CG 3.4Å; N54-V86 HydrophobicContact CB-CG1 4.34Å; N54-L165 HydrophobicContact CB-CD1 3.79Å
55G94.2Very high95.5Very high11 Ų1135.8 Ų35.811%0.11320%0.203CC..THydrogen-bonded Turntrans61.724.9-17400000114R51 L52 E57 R83R51-G55 PolarHBondContact O-N 2.75Å; L52-G55 PolarHBondContact O-N 2.83Å; G55-E57 VanDerWaalsContact C-N 3.27Å; G55-R83 PolarHBondContact O-NH2 2.97Å
56L93.2Very high95.6Very high77 Ų7735.6 Ų35.640%0.40320%0.2SC..SBendtrans-72.5-27.9168.2-74.2173.5000111.1R51 N54 M88R51-L56 HydrophobicContact CB-CB 3.96Å; R51-L56 HydrophobicContact CG-CB 4.18Å; R51-L56 HydrophobicContact CG-CD1 4.21Å; R51-L56 PolarHBondContact O-N 3.49Å; N54-L56 HydrophobicContact CB-CG 4.43Å; N54-L56 PolarHBondContact O-N 3.04Å; L56-M88 HydrophobicContact CD1-CE 4.23Å; L56-M88 HydrophobicContact CD1-SD 3.65Å
57E94.6Very high95.4Very high50 Ų5038.4 Ų38.423%0.23422%0.215CC..SBendtrans-118.4150.4166.9-73.2-68.6170.600109K11 R51 L52 G55K11-E57 WeakPolarHBondContact CE-OE2 3.45Å; K11-E57 IonicContact NZ-OE2 2.71Å; K11-E57 PolarHBondContact NZ-OE2 2.96Å; R51-E57 HydrophobicContact CB-CB 4.16Å; R51-E57 HydrophobicContact CB-CG 3.83Å; R51-E57 PolarHBondContact O-N 3.25Å; R51-E57 VanDerWaalsContact O-N 3.17Å; L52-E57 HydrophobicContact CD2-CB 3.75Å; L52-E57 HydrophobicContact CG-CB 4.27Å; G55-E57 VanDerWaalsContact C-N 3.27Å
58T94.3Very high95.3Very high84 Ų8439.7 Ų39.752%0.51523%0.234SC..  trans-101.6133.5170.8-50.50000109K11 A72K11-T58 VanDerWaalsContact CD-O 3.31Å; K11-T58 WeakPolarHBondContact CD-O 3.07Å; K11-T58 PolarHBondContact NZ-O 3.38Å; T58-A72 HydrophobicContact CG2-CB 4.21Å
59P96.5Very high95.3Very high19 Ų1942.4 Ų42.412%0.12325%0.245CC..  trans-60.9145.3175.527.2-35.1000110.7V9 G10 L52 V64 A72V9-P59 HydrophobicContact CG1-CB 4.14Å; G10-P59 CarbonylContact O-C 3.53Å; G10-P59 WeakPolarHBondContact O-CA 3.33Å; L52-P59 HydrophobicContact CD2-CB 4.15Å; P59-V64 HydrophobicContact CG-CG2 4.17Å; P59-A72 HydrophobicContact CG-CB 3.83Å
60T96.3Very high95.2Very high73 Ų7343.5 Ų43.545%0.44825%0.251SS..SBendtrans-73.1-39.7169.1-53.70000110.3G10 S12G10-T60 PolarHBondContact O-N 3.35Å; S12-T60 PolarHBondContact N-OG1 2.88Å
61D95.4Very high95.2Very high97 Ų9743.8 Ų43.852%0.51925%0.252SS..EExtended strand (participates in β ladder)trans-142.2159.6-177-55.1-78.9000110.1V9 G10V9-D61 WeakPolarHBondContact CA-O 3.29Å; G10-D61 PolarHBondContact N-O 2.94Å; G10-D61 PolarHBondContact O-N 3.04Å
62G96.1Very high95.1Very high40 Ų4040.7 Ų40.741%0.41225%0.249SC..EExtended strand (participates in β ladder)trans78.2-168.7178.800000114.1N7 Q8N7-G62 CarbonylContact O-C 3.6Å; N7-G62 WeakPolarHBondContact O-CA 3.25Å; Q8-G62 WeakPolarHBondContact O-CA 3.45Å
63Q96.6Very high95Very high87 Ų8747.5 Ų47.541%0.40728%0.278SS..EExtended strand (participates in β ladder)trans-132.1137.6-175.6-68.7178.7-10.900111.4N7 V9N7-Q63 HydrophobicContact CB-CB 4.42Å; N7-Q63 PolarHBondContact N-O 3.18Å; N7-Q63 PolarHBondContact O-N 3.35Å; V9-Q63 WeakPolarHBondContact CG2-O 3.39Å
64V97.4Very high94.9Very high0 Ų048.9 Ų48.90%029%0.285CS..EExtended strand (participates in β ladder)trans-112.8105.1174.4178.10000107L6 V9 L52 L53 P59 V66 D70 V71L6-V64 HydrophobicContact CD2-CB 4.1Å; L6-V64 HydrophobicContact CD2-CG1 3.72Å; L6-V64 HydrophobicContact CD2-CG2 3.91Å; V9-V64 HydrophobicContact CG1-CG2 4.07Å; V9-V64 HydrophobicContact CG2-CG2 3.82Å; L52-V64 HydrophobicContact CB-CG2 4.31Å; L53-V64 HydrophobicContact CD2-CG1 4.1Å; P59-V64 HydrophobicContact CG-CG2 4.17Å; V64-V66 HydrophobicContact CG1-CG2 4.43Å; V64-D70 WeakPolarHBondContact O-CA 3.4Å; V64-V71 HydrophobicContact CB-CB 4.37Å; V64-V71 HydrophobicContact CG1-CB 4.12Å; V64-V71 HydrophobicContact CG1-CG2 3.96Å; V64-V71 PolarHBondContact O-N 3.45Å
65L97.2Very high94.9Very high31 Ų3155.5 Ų55.516%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-102.5131.7178.3-52.1178.5000109.4I4 E5 E69 D70I4-L65 WeakPolarHBondContact CA-O 3.45Å; E5-L65 HydrophobicContact CB-CB 4.17Å; E5-L65 HydrophobicContact CB-CD1 4.43Å; E5-L65 PolarHBondContact N-O 3.02Å; E5-L65 PolarHBondContact O-N 2.95Å; L65-E69 WeakPolarHBondContact CA-O 3.43Å; L65-D70 HydrophobicContact CD2-CB 3.75Å
66V96.3Very high94.9Very high2 Ų257 Ų571%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-134.8123174.6176.70000107.7L3 I4 V64 G68 E69 V71 F82 I163L3-V66 CarbonylContact O-C 3.58Å; L3-V66 WeakPolarHBondContact O-CA 3.4Å; I4-V66 HydrophobicContact CG1-CG1 4.47Å; I4-V66 HydrophobicContact CG1-CG2 4.32Å; I4-V66 HydrophobicContact CG2-CG2 4.33Å; V64-V66 HydrophobicContact CG1-CG2 4.43Å; V66-G68 PolarHBondContact O-N 3.39Å; V66-E69 PolarHBondContact N-O 3.41Å; V66-E69 WeakPolarHBondContact O-CB 3.47Å; V66-E69 PolarHBondContact O-N 3.36Å; V66-V71 HydrophobicContact CB-CG2 3.91Å; V66-V71 HydrophobicContact CG2-CG2 3.63Å; V66-F82 HydrophobicContact CB-CE2 3.7Å; V66-F82 HydrophobicContact CB-CZ 3.89Å; V66-F82 HydrophobicContact CG1-CE2 3.67Å; V66-F82 HydrophobicContact CG1-CZ 3.94Å; V66-F82 HydrophobicContact CG2-CE2 4.44Å; V66-F82 HydrophobicContact CG2-CZ 4.14Å; V66-I163 HydrophobicContact CG1-CD1 3.29Å
67N92.6Very high94.9Very high66 Ų6656.2 Ų56.235%0.35334%0.336SS..THydrogen-bonded Turntrans53.433.7-169.7-86.6-47.1000112.5L3 E69 D162L3-N67 WeakPolarHBondContact CD1-OD1 3.38Å; L3-N67 PolarHBondContact O-N 2.85Å; N67-E69 PolarHBondContact O-N 2.86Å; N67-D162 PolarHBondContact ND2-OD2 2.92Å
68G92.6Very high94.9Very high60 Ų6056.3 Ų56.362%0.61935%0.345SS*.THydrogen-bonded Turntrans71.7-3.2-174.800000115.5V66V66-G68 PolarHBondContact O-N 3.39Å
69E93.7Very high95Very high77 Ų7753.7 Ų53.736%0.3633%0.328SS..EExtended strand (participates in β ladder)trans-88130.3175.4-63.6-177.6-144.900110.5L65 V66 N67 V71 K85L65-E69 WeakPolarHBondContact CA-O 3.43Å; V66-E69 PolarHBondContact N-O 3.41Å; V66-E69 WeakPolarHBondContact O-CB 3.47Å; V66-E69 PolarHBondContact O-N 3.36Å; N67-E69 PolarHBondContact O-N 2.86Å; E69-V71 PolarHBondContact O-N 3.16Å; E69-K85 IonicContact OE1-NZ 3.75Å
70D96.1Very high94.8Very high23 Ų2360.3 Ų60.312%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-77.1106.3175.1-175.6-13.5000110.6V64 L65 A72 K73V64-D70 WeakPolarHBondContact O-CA 3.4Å; L65-D70 HydrophobicContact CD2-CB 3.75Å; D70-A72 PolarHBondContact O-N 2.86Å; D70-A72 WeakPolarHBondContact OD1-CB 3.36Å; D70-A72 PolarHBondContact OD1-N 2.88Å; D70-A72 VanDerWaalsContact OD1-N 3.12Å; D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 HydrophobicContact CB-CD 4.05Å; D70-K73 HydrophobicContact CB-CG 4.24Å; D70-K73 PolarHBondContact O-N 2.98Å; D70-K73 VanDerWaalsContact O-N 3.09Å; D70-K73 WeakPolarHBondContact OD2-CD 3.23Å; D70-K73 WeakPolarHBondContact OD2-CE 3.46Å; D70-K73 IonicContact OD2-NZ 3.71Å; D70-K73 PolarHBondContact OD2-NZ 3.42Å
71V95Very high94.7Very high5 Ų560.6 Ų60.63%0.0335%0.352CS..G310 helixtrans-60-34.2-174-177.30000111.5V64 V66 E69 K73 L74 F82V64-V71 HydrophobicContact CB-CB 4.37Å; V64-V71 HydrophobicContact CG1-CB 4.12Å; V64-V71 HydrophobicContact CG1-CG2 3.96Å; V64-V71 PolarHBondContact O-N 3.45Å; V66-V71 HydrophobicContact CB-CG2 3.91Å; V66-V71 HydrophobicContact CG2-CG2 3.63Å; E69-V71 PolarHBondContact O-N 3.16Å; V71-K73 PolarHBondContact O-N 2.94Å; V71-L74 PolarHBondContact O-N 3.46Å; V71-F82 HydrophobicContact CB-CZ 4.48Å; V71-F82 HydrophobicContact CG1-CD1 4.45Å; V71-F82 HydrophobicContact CG1-CE1 3.82Å; V71-F82 HydrophobicContact CG1-CZ 4.14Å; V71-F82 HydrophobicContact CG2-CE1 4.08Å; V71-F82 HydrophobicContact CG2-CE2 3.96Å; V71-F82 HydrophobicContact CG2-CZ 3.52Å
72A92.9Very high94.7Very high36 Ų3656.3 Ų56.330%0.29833%0.329SS..G310 helixtrans-69.3-21.7-177.700000113T58 P59 D70T58-A72 HydrophobicContact CG2-CB 4.21Å; P59-A72 HydrophobicContact CG-CB 3.83Å; D70-A72 PolarHBondContact O-N 2.86Å; D70-A72 WeakPolarHBondContact OD1-CB 3.36Å; D70-A72 PolarHBondContact OD1-N 2.88Å; D70-A72 VanDerWaalsContact OD1-N 3.12Å
73K94Very high94.7Very high144 Ų14458.7 Ų58.763%0.62633%0.326SS*.G310 helixtrans-88.6-11.8179.1-66.1-179.7-179.3126.30113.2D70 V71D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 HydrophobicContact CB-CD 4.05Å; D70-K73 HydrophobicContact CB-CG 4.24Å; D70-K73 PolarHBondContact O-N 2.98Å; D70-K73 VanDerWaalsContact O-N 3.09Å; D70-K73 WeakPolarHBondContact OD2-CD 3.23Å; D70-K73 WeakPolarHBondContact OD2-CE 3.46Å; D70-K73 IonicContact OD2-NZ 3.71Å; D70-K73 PolarHBondContact OD2-NZ 3.42Å; V71-K73 PolarHBondContact O-N 2.94Å
74L94.4Very high94.6Very high31 Ų3158.2 Ų58.216%0.16232%0.322CS..  trans-78.8130.6-178.3-59.4178000111.1V71 A78 L79 F82V71-L74 PolarHBondContact O-N 3.46Å; L74-A78 HydrophobicContact CD2-CB 4.15Å; L74-L79 HydrophobicContact CB-CB 4.05Å; L74-L79 HydrophobicContact CB-CD1 4.14Å; L74-F82 HydrophobicContact CD1-CB 3.57Å; L74-F82 HydrophobicContact CD1-CD1 4.18Å; L74-F82 HydrophobicContact CD1-CD2 3.86Å; L74-F82 HydrophobicContact CD1-CG 3.59Å
75Q93.6Very high94.4Very high153 Ų15362 Ų6272%0.71534%0.339SS*.  trans-135.4158.6177.3-62.1-173.7700111.8A77 A78 L79Q75-A77 PolarHBondContact O-N 3.44Å; Q75-A78 PolarHBondContact O-N 3.19Å; Q75-A78 VanDerWaalsContact O-N 3.11Å; Q75-L79 PolarHBondContact O-N 2.8Å
76G93.6Very high94.4Very high43 Ų4361 Ų6144%0.44333%0.334SS..Hα-helixtrans54-119.6171.600000113.5R80G76-R80 WeakPolarHBondContact O-CG 3.41Å; G76-R80 PolarHBondContact O-N 3.05Å; G76-R80 PolarHBondContact O-NH1 2.88Å
77A94.3Very high94.4Very high60 Ų6061.1 Ų61.150%0.49634%0.335SS..Hα-helixtrans-66.9-37.5-178.200000113.1Q75 R80 T81Q75-A77 PolarHBondContact O-N 3.44Å; A77-R80 PolarHBondContact O-N 2.93Å; A77-T81 PolarHBondContact O-N 2.8Å; A77-T81 PolarHBondContact O-OG1 2.83Å
78A94.7Very high94.5Very high52 Ų5258.7 Ų58.743%0.4332%0.322SS..Hα-helixtrans-63.3-46-179.900000111L74 Q75 R80 T81 F82L74-A78 HydrophobicContact CD2-CB 4.15Å; Q75-A78 PolarHBondContact O-N 3.19Å; Q75-A78 VanDerWaalsContact O-N 3.11Å; A78-R80 VanDerWaalsContact C-N 3.32Å; A78-R80 PolarHBondContact O-N 3.24Å; A78-T81 PolarHBondContact O-N 2.88Å; A78-T81 VanDerWaalsContact O-N 3.17Å; A78-F82 PolarHBondContact O-N 3.2Å
79L94.7Very high94.6Very high29 Ų2956 Ų5615%0.15229%0.293CS..Hα-helixtrans-61.9-38.6175.4-177.660.4000112.3L74 Q75 F82 R83L74-L79 HydrophobicContact CB-CB 4.05Å; L74-L79 HydrophobicContact CB-CD1 4.14Å; Q75-L79 PolarHBondContact O-N 2.8Å; L79-F82 HydrophobicContact CD1-CD1 4.18Å; L79-F82 PolarHBondContact O-N 2.65Å; L79-R83 HydrophobicContact CD1-CG 4.45Å; L79-R83 VanDerWaalsContact O-CG 3.29Å; L79-R83 WeakPolarHBondContact O-CG 3.24Å; L79-R83 PolarHBondContact O-N 3.5Å
80R93.7Very high94.5Very high157 Ų15755 Ų5559%0.59229%0.288SS*.Hα-helixtrans-65.2-38.3175.4-72.4-171.8-60.6-92.26.4112.4G76 A77 A78 K84G76-R80 WeakPolarHBondContact O-CG 3.41Å; G76-R80 PolarHBondContact O-N 3.05Å; G76-R80 PolarHBondContact O-NH1 2.88Å; A77-R80 PolarHBondContact O-N 2.93Å; A78-R80 VanDerWaalsContact C-N 3.32Å; A78-R80 PolarHBondContact O-N 3.24Å; R80-K84 PolarHBondContact O-N 2.92Å
81T93.8Very high94Very high80 Ų8056.9 Ų56.949%0.49130%0.296SS..Hα-helixtrans-67.3-43.9175.7-620000111.1A77 A78 R83 K84A77-T81 PolarHBondContact O-N 2.8Å; A77-T81 PolarHBondContact O-OG1 2.83Å; A78-T81 PolarHBondContact O-N 2.88Å; A78-T81 VanDerWaalsContact O-N 3.17Å; T81-R83 PolarHBondContact O-N 3.43Å; T81-K84 WeakPolarHBondContact O-CB 3.36Å; T81-K84 PolarHBondContact O-N 2.92Å; T81-K84 VanDerWaalsContact O-N 3.11Å
82F95.6Very high93.6Very high7 Ų763.2 Ų63.23%0.03133%0.325CS..Hα-helixtrans-55.4-48.8174.3168.8-98.9000112.2L53 V66 V71 L74 A78 L79 K84 K85 V86L53-F82 WeakPolarHBondContact O-CZ 3.42Å; V66-F82 HydrophobicContact CB-CE2 3.7Å; V66-F82 HydrophobicContact CB-CZ 3.89Å; V66-F82 HydrophobicContact CG1-CE2 3.67Å; V66-F82 HydrophobicContact CG1-CZ 3.94Å; V66-F82 HydrophobicContact CG2-CE2 4.44Å; V66-F82 HydrophobicContact CG2-CZ 4.14Å; V71-F82 HydrophobicContact CB-CZ 4.48Å; V71-F82 HydrophobicContact CG1-CD1 4.45Å; V71-F82 HydrophobicContact CG1-CE1 3.82Å; V71-F82 HydrophobicContact CG1-CZ 4.14Å; V71-F82 HydrophobicContact CG2-CE1 4.08Å; V71-F82 HydrophobicContact CG2-CE2 3.96Å; V71-F82 HydrophobicContact CG2-CZ 3.52Å; L74-F82 HydrophobicContact CD1-CB 3.57Å; L74-F82 HydrophobicContact CD1-CD1 4.18Å; L74-F82 HydrophobicContact CD1-CD2 3.86Å; L74-F82 HydrophobicContact CD1-CG 3.59Å; A78-F82 PolarHBondContact O-N 3.2Å; L79-F82 HydrophobicContact CD1-CD1 4.18Å; L79-F82 PolarHBondContact O-N 2.65Å; F82-K84 PolarHBondContact O-N 3.09Å; F82-K85 WeakPolarHBondContact O-CA 3.23Å; F82-K85 WeakPolarHBondContact O-CB 2.97Å; F82-K85 PolarHBondContact O-N 3.04Å; F82-V86 HydrophobicContact CE1-CG2 4Å; F82-V86 HydrophobicContact CE2-CG2 4.05Å; F82-V86 HydrophobicContact CZ-CG2 3.67Å
83R95.1Very high93.4Very high89 Ų8963.2 Ų63.234%0.33632%0.319SS..THydrogen-bonded Turntrans-63.2-14.1178.9-70.9179.3175.71671.4114.6N54 G55 L79 T81 K85 V86N54-R83 PolarHBondContact O-NE 3.43Å; N54-R83 WeakPolarHBondContact OD1-CG 3.4Å; G55-R83 PolarHBondContact O-NH2 2.97Å; L79-R83 HydrophobicContact CD1-CG 4.45Å; L79-R83 VanDerWaalsContact O-CG 3.29Å; L79-R83 WeakPolarHBondContact O-CG 3.24Å; L79-R83 PolarHBondContact O-N 3.5Å; T81-R83 PolarHBondContact O-N 3.43Å; R83-K85 VanDerWaalsContact C-N 3.33Å; R83-V86 VanDerWaalsContact O-O 3.07Å
84K94.4Very high93.3Very high78 Ų7860.4 Ų60.434%0.33931%0.31SS..THydrogen-bonded Turntrans-73-29.5170.3-65.6175.5-178.3-178.70111.8R80 T81 F82 V86 A112 N159R80-K84 PolarHBondContact O-N 2.92Å; T81-K84 WeakPolarHBondContact O-CB 3.36Å; T81-K84 PolarHBondContact O-N 2.92Å; T81-K84 VanDerWaalsContact O-N 3.11Å; F82-K84 PolarHBondContact O-N 3.09Å; K84-V86 VanDerWaalsContact C-N 3.33Å; K84-A112 HydrophobicContact CD-CB 4.4Å; K84-N159 HydrophobicContact CB-CB 4.28Å; K84-N159 WeakPolarHBondContact O-CB 3.48Å
85K94.4Very high93.4Very high80 Ų8059.4 Ų59.435%0.34831%0.305SS..SBendtrans-83.6-7.9177.6-56.8-177.5-180177.50113.4E69 F82 R83 P161 D162 I163E69-K85 IonicContact OE1-NZ 3.75Å; F82-K85 WeakPolarHBondContact O-CA 3.23Å; F82-K85 WeakPolarHBondContact O-CB 2.97Å; F82-K85 PolarHBondContact O-N 3.04Å; R83-K85 VanDerWaalsContact C-N 3.33Å; K85-P161 CarbonylContact O-C 3.59Å; K85-P161 WeakPolarHBondContact O-CA 3.39Å; K85-P161 VanDerWaalsContact O-CB 3.25Å; K85-P161 WeakPolarHBondContact O-CB 3.32Å; K85-D162 PolarHBondContact O-N 2.84Å; K85-I163 PolarHBondContact O-N 2.86Å
86V96.5Very high93.5Very high8 Ų855.5 Ų55.55%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-122.5101.8-179-175.80000109.6N54 F82 R83 K84 I163 L165N54-V86 HydrophobicContact CB-CG1 4.34Å; F82-V86 HydrophobicContact CE1-CG2 4Å; F82-V86 HydrophobicContact CE2-CG2 4.05Å; F82-V86 HydrophobicContact CZ-CG2 3.67Å; R83-V86 VanDerWaalsContact O-O 3.07Å; K84-V86 VanDerWaalsContact C-N 3.33Å; V86-I163 CarbonylContact C-O 3.58Å; V86-I163 HydrophobicContact CG1-CG2 4.44Å; V86-I163 HydrophobicContact CG2-CD1 4.49Å; V86-L165 HydrophobicContact CG1-CD1 3.53Å; V86-L165 HydrophobicContact CG1-CG 3.8Å
87G96.3Very high93.6Very high5 Ų561 Ų615%0.05230%0.296CS..EExtended strand (participates in β ladder)trans-73.9145.6172.200000110.8A156 I163 L165G87-A156 WeakPolarHBondContact CA-O 3.12Å; G87-I163 PolarHBondContact N-O 2.87Å; G87-L165 PolarHBondContact O-N 3.4Å
88M95.9Very high93.7Very high15 Ų1562.7 Ų62.77%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-136.3131.3176.9-172.3173.1-178.800111.5V50 L56 F90 L165 D167V50-M88 HydrophobicContact CG1-CE 4.04Å; L56-M88 HydrophobicContact CD1-CE 4.23Å; L56-M88 HydrophobicContact CD1-SD 3.65Å; M88-F90 HydrophobicContact CB-CE2 4.42Å; M88-F90 HydrophobicContact CB-CZ 4.42Å; M88-F90 HydrophobicContact CE-CD1 3.83Å; M88-F90 HydrophobicContact CE-CE1 3.54Å; M88-F90 HydrophobicContact CE-CZ 4.24Å; M88-F90 HydrophobicContact CG-CE1 4.17Å; M88-F90 HydrophobicContact CG-CE2 4.21Å; M88-F90 HydrophobicContact CG-CZ 3.99Å; M88-F90 HydrophobicContact SD-CD1 4.34Å; M88-F90 HydrophobicContact SD-CE1 3.59Å; M88-F90 VanDerWaalsContact SD-CE1 3.59Å; M88-F90 HydrophobicContact SD-CE2 4.47Å; M88-F90 HydrophobicContact SD-CZ 3.67Å; M88-L165 CarbonylContact C-O 3.52Å; M88-L165 WeakPolarHBondContact CA-O 3.34Å; M88-L165 HydrophobicContact CG-CB 4.32Å; M88-D167 HydrophobicContact CE-CB 4.26Å
89I94.9Very high93.8Very high3 Ų363.2 Ų63.22%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-109131.1173-63.6159.8000107.7I153 A156 L164 L165 D167 A169 L185I89-I153 HydrophobicContact CD1-CB 4.27Å; I89-I153 HydrophobicContact CD1-CG1 3.55Å; I89-I153 HydrophobicContact CG1-CG1 4.27Å; I89-A156 HydrophobicContact CG1-CB 3.85Å; I89-L164 HydrophobicContact CD1-CD1 3.71Å; I89-L164 HydrophobicContact CD1-CD2 3.8Å; I89-L164 HydrophobicContact CD1-CG 3.92Å; I89-L164 HydrophobicContact CG1-CD1 4Å; I89-L165 PolarHBondContact N-O 3.2Å; I89-D167 PolarHBondContact O-N 3.12Å; I89-A169 HydrophobicContact CG2-CB 3.98Å; I89-L185 HydrophobicContact CD1-CD2 4.23Å
90F90Very high94Very high58 Ų5862.3 Ų62.325%0.25429%0.291SS..  trans-106.2153.2-175-62.3-89.1000111.6M88 H92 F93 N94 D167M88-F90 HydrophobicContact CB-CE2 4.42Å; M88-F90 HydrophobicContact CB-CZ 4.42Å; M88-F90 HydrophobicContact CE-CD1 3.83Å; M88-F90 HydrophobicContact CE-CE1 3.54Å; M88-F90 HydrophobicContact CE-CZ 4.24Å; M88-F90 HydrophobicContact CG-CE1 4.17Å; M88-F90 HydrophobicContact CG-CE2 4.21Å; M88-F90 HydrophobicContact CG-CZ 3.99Å; M88-F90 HydrophobicContact SD-CD1 4.34Å; M88-F90 HydrophobicContact SD-CE1 3.59Å; M88-F90 VanDerWaalsContact SD-CE1 3.59Å; M88-F90 HydrophobicContact SD-CE2 4.47Å; M88-F90 HydrophobicContact SD-CZ 3.67Å; F90-H92 PolarHBondContact O-N 3.09Å; F90-F93 PolarHBondContact O-N 2.97Å; F90-N94 HydrophobicContact CB-CB 4.25Å; F90-N94 WeakPolarHBondContact CB-ND2 3.46Å; F90-N94 WeakPolarHBondContact CD1-ND2 3.34Å; F90-N94 HydrophobicContact CD2-CB 4.04Å; F90-N94 HydrophobicContact CG-CB 4.26Å; F90-N94 WeakPolarHBondContact CG-ND2 3.4Å; F90-D167 CarbonylContact C-O 3.6Å
91Q87.2Confident94.2Very high62 Ų6254.9 Ų54.929%0.2926%0.263SS..THydrogen-bonded Turntrans-54.7-43.8177.8-174171.115.700114D167 E168 S171Q91-D167 VanDerWaalsContact CA-O 3.28Å; Q91-D167 WeakPolarHBondContact CA-O 3.46Å; Q91-D167 PolarHBondContact N-O 3.21Å; Q91-E168 HydrophobicContact CB-CB 4.37Å; Q91-E168 HydrophobicContact CG-CB 4.08Å; Q91-E168 PolarHBondContact NE2-OE2 3.2Å; Q91-S171 WeakPolarHBondContact CG-OG 3.34Å; Q91-S171 PolarHBondContact NE2-OG 2.87Å
92H86.5Confident94.3Very high138 Ų13851.9 Ų51.964%0.63924%0.244SC*.THydrogen-bonded Turntrans-9929.5-175.7-61.5-49.5000114.2F90 N94F90-H92 PolarHBondContact O-N 3.09Å; H92-N94 PolarHBondContact O-N 3.23Å
93F88.8Confident94.5Very high36 Ų3655.1 Ų55.116%0.15826%0.259CS..  trans63.6-41.6-176-42.4-61.8000115.4F90 L95 G145 K148 Q149 R155 L173F90-F93 PolarHBondContact O-N 2.97Å; F93-L95 HydrophobicContact CB-CG 4.06Å; F93-L95 PolarHBondContact O-N 3.23Å; F93-G145 VanDerWaalsContact CE1-O 3.32Å; F93-G145 WeakPolarHBondContact CE1-O 3.36Å; F93-K148 HydrophobicContact CB-CB 4.23Å; F93-K148 HydrophobicContact CD1-CB 3.74Å; F93-K148 HydrophobicContact CD2-CB 3.95Å; F93-K148 HydrophobicContact CD2-CD 3.85Å; F93-K148 HydrophobicContact CE1-CB 4.09Å; F93-K148 HydrophobicContact CE2-CB 4.25Å; F93-K148 HydrophobicContact CE2-CD 3.94Å; F93-K148 HydrophobicContact CG-CB 3.7Å; F93-K148 HydrophobicContact CG-CD 4.44Å; F93-K148 HydrophobicContact CZ-CB 4.33Å; F93-Q149 HydrophobicContact CD1-CB 4.19Å; F93-Q149 HydrophobicContact CE1-CB 3.98Å; F93-R155 PolarHBondContact O-NH2 3.3Å; F93-L173 HydrophobicContact CE1-CD2 4.18Å; F93-L173 HydrophobicContact CZ-CD2 4.2Å
94N91.8Very high94.6Very high84 Ų8450.9 Ų50.945%0.44924%0.243SC..  trans5138.5-177.7-67.9-2.4000113.2F90 H92 R155F90-N94 HydrophobicContact CB-CB 4.25Å; F90-N94 WeakPolarHBondContact CB-ND2 3.46Å; F90-N94 WeakPolarHBondContact CD1-ND2 3.34Å; F90-N94 HydrophobicContact CD2-CB 4.04Å; F90-N94 HydrophobicContact CG-CB 4.26Å; F90-N94 WeakPolarHBondContact CG-ND2 3.4Å; H92-N94 PolarHBondContact O-N 3.23Å; N94-R155 PolarHBondContact O-NH1 3.49Å; N94-R155 PolarHBondContact O-NH2 3.26Å; N94-R155 VanDerWaalsContact O-NH2 3.12Å
95L95.5Very high94.8Very high11 Ų1147.2 Ų47.26%0.05823%0.227CC..  trans-78.4146.9175.8-57.2-176.4000111.1F93 W97 P140 K148 V151F93-L95 HydrophobicContact CB-CG 4.06Å; F93-L95 PolarHBondContact O-N 3.23Å; L95-W97 PolarHBondContact O-N 2.93Å; L95-P140 HydrophobicContact CB-CB 4.3Å; L95-P140 HydrophobicContact CB-CG 4.01Å; L95-P140 HydrophobicContact CD1-CB 4.22Å; L95-P140 HydrophobicContact CD1-CG 4.28Å; L95-K148 HydrophobicContact CD1-CB 3.94Å; L95-K148 HydrophobicContact CD1-CG 4.1Å; L95-V151 HydrophobicContact CD1-CB 4.04Å; L95-V151 HydrophobicContact CD1-CG1 4.03Å; L95-V151 HydrophobicContact CD2-CB 4.26Å; L95-V151 HydrophobicContact CD2-CG1 3.79Å
96L96.6Very high94.9Very high70 Ų7044.5 Ų44.537%0.36622%0.216SC..  trans-78.9109171.2-66.6179.5000109.1S98 R99 N104 L107L96-S98 PolarHBondContact O-N 2.83Å; L96-R99 HydrophobicContact CB-CB 4.2Å; L96-R99 HydrophobicContact CB-CG 4.42Å; L96-R99 PolarHBondContact O-N 3.05Å; L96-R99 VanDerWaalsContact O-N 3.14Å; L96-N104 PolarHBondContact N-OD1 2.89Å; L96-N104 PolarHBondContact O-ND2 2.84Å; L96-L107 HydrophobicContact CD1-CD2 3.66Å
97W94.8Very high95Very high159 Ų15946 Ų4660%0.60222%0.223SC*.THydrogen-bonded Turntrans-64.3-21.7179.8-65.185.3000113.8L95 R99 P140L95-W97 PolarHBondContact O-N 2.93Å; W97-R99 VanDerWaalsContact C-N 3.28Å; W97-P140 HydrophobicContact CD2-CB 4.26Å; W97-P140 HydrophobicContact CE3-CB 4.01Å; W97-P140 HydrophobicContact CZ3-CB 4.33Å
98S96Very high95Very high96 Ų9646.9 Ų46.967%0.67123%0.228SC*.THydrogen-bonded Turntrans-83.5-0.7177.465.70000114L96L96-S98 PolarHBondContact O-N 2.83Å
99R97.6Very high95Very high62 Ų6246.7 Ų46.723%0.23423%0.227CC..SBendtrans-124.6148.9-177.6-76.6-170.6179.1-146.8-1.2109.9L96 W97 E103 N104 E110 P140L96-R99 HydrophobicContact CB-CB 4.2Å; L96-R99 HydrophobicContact CB-CG 4.42Å; L96-R99 PolarHBondContact O-N 3.05Å; L96-R99 VanDerWaalsContact O-N 3.14Å; W97-R99 VanDerWaalsContact C-N 3.28Å; R99-E103 VanDerWaalsContact CA-OE2 3.26Å; R99-E103 WeakPolarHBondContact CA-OE2 3.11Å; R99-E103 HydrophobicContact CB-CB 3.77Å; R99-E103 HydrophobicContact CG-CB 4.13Å; R99-N104 PolarHBondContact O-ND2 3.4Å; R99-N104 VanDerWaalsContact O-ND2 3.15Å; R99-E110 IonicContact CZ-OE2 2.79Å; R99-E110 IonicContact NH1-OE2 3.82Å; R99-E110 PolarHBondContact NH1-OE2 2.93Å; R99-E110 IonicContact NH2-OE1 3.17Å; R99-E110 IonicContact NH2-OE2 2.83Å; R99-E110 PolarHBondContact NH2-OE2 2.91Å; R99-P140 WeakPolarHBondContact O-CD 3.48Å
100T98Very high95.1Very high11 Ų1150.4 Ų50.47%0.06725%0.245CC..  trans-67.2171.3171.164.70000111.1I102 E103 N104 D137 A138 Y139T100-I102 PolarHBondContact O-N 3.23Å; T100-I102 WeakPolarHBondContact OG1-CG2 3.31Å; T100-E103 PolarHBondContact N-OE2 3.3Å; T100-E103 PolarHBondContact O-N 3.26Å; T100-E103 WeakPolarHBondContact OG1-CB 3.49Å; T100-E103 WeakPolarHBondContact OG1-CG 3.35Å; T100-E103 PolarHBondContact OG1-N 2.95Å; T100-E103 PolarHBondContact OG1-OE2 3.21Å; T100-N104 WeakPolarHBondContact O-CB 3.31Å; T100-N104 PolarHBondContact O-N 3.48Å; T100-N104 PolarHBondContact O-ND2 3.41Å; T100-D137 WeakPolarHBondContact CG2-O 3.27Å; T100-A138 CarbonylContact C-O 3.45Å; T100-A138 VanDerWaalsContact CA-O 3.27Å; T100-A138 WeakPolarHBondContact CA-O 3.33Å; T100-Y139 HydrophobicContact CG2-CD2 4.31Å; T100-Y139 HydrophobicContact CG2-CE1 4.1Å; T100-Y139 HydrophobicContact CG2-CE2 3.84Å
101V98Very high95.3Very high1 Ų154 Ų541%0.00627%0.266CS..Hα-helixtrans-56.2-49.8175.3164.10000111.4E103 N104 I105 L127 R135 G136 A138 L143 V151V101-E103 VanDerWaalsContact C-N 3.31Å; V101-E103 PolarHBondContact O-N 2.62Å; V101-N104 WeakPolarHBondContact O-CB 3.29Å; V101-N104 PolarHBondContact O-N 3.12Å; V101-I105 HydrophobicContact CG1-CD1 4.12Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 2.87Å; V101-I105 VanDerWaalsContact O-N 3.14Å; V101-L127 HydrophobicContact CG1-CD2 3.46Å; V101-L127 VanDerWaalsContact CG1-CD2 3.46Å; V101-R135 WeakPolarHBondContact CB-O 3.43Å; V101-G136 PolarHBondContact N-O 3.12Å; V101-A138 HydrophobicContact CG2-CB 4.38Å; V101-A138 WeakPolarHBondContact CG2-O 3.34Å; V101-A138 PolarHBondContact N-O 2.93Å; V101-L143 HydrophobicContact CG2-CD1 3.6Å; V101-L143 HydrophobicContact CG2-CD2 4.36Å; V101-L143 HydrophobicContact CG2-CG 4.34Å; V101-V151 HydrophobicContact CB-CG2 4.35Å; V101-V151 HydrophobicContact CG1-CG1 4.25Å; V101-V151 HydrophobicContact CG1-CG2 3.65Å; V101-V151 HydrophobicContact CG2-CG2 3.89Å
102I97.5Very high95.6Very high16 Ų1652.7 Ų52.78%0.08227%0.265CS..Hα-helixtrans-65.9-37.5-179-160.5178.1000110.9T100 N104 I105 Q106 R120 A123 E124 L127 G136T100-I102 PolarHBondContact O-N 3.23Å; T100-I102 WeakPolarHBondContact OG1-CG2 3.31Å; I102-N104 VanDerWaalsContact C-N 3.35Å; I102-N104 PolarHBondContact O-N 2.88Å; I102-I105 PolarHBondContact O-N 2.74Å; I102-Q106 WeakPolarHBondContact O-CB 3.46Å; I102-Q106 VanDerWaalsContact O-CG 3.23Å; I102-Q106 WeakPolarHBondContact O-CG 3.18Å; I102-Q106 PolarHBondContact O-N 3.29Å; I102-R120 HydrophobicContact CD1-CG 4.19Å; I102-A123 HydrophobicContact CD1-CB 4.33Å; I102-A123 HydrophobicContact CG1-CB 3.65Å; I102-E124 HydrophobicContact CD1-CG 3.93Å; I102-L127 HydrophobicContact CB-CD1 4.3Å; I102-L127 HydrophobicContact CG1-CD1 4.17Å; I102-G136 WeakPolarHBondContact CB-O 3.46Å; I102-G136 WeakPolarHBondContact CG2-O 3.4Å; I102-G136 PolarHBondContact N-O 2.98Å
103E97.9Very high96Very high76 Ų7649.3 Ų49.336%0.35527%0.268SS..Hα-helixtrans-68.8-31.8177-72.2173.5162.200113R99 T100 V101 L107R99-E103 VanDerWaalsContact CA-OE2 3.26Å; R99-E103 WeakPolarHBondContact CA-OE2 3.11Å; R99-E103 HydrophobicContact CB-CB 3.77Å; R99-E103 HydrophobicContact CG-CB 4.13Å; T100-E103 PolarHBondContact N-OE2 3.3Å; T100-E103 PolarHBondContact O-N 3.26Å; T100-E103 WeakPolarHBondContact OG1-CB 3.49Å; T100-E103 WeakPolarHBondContact OG1-CG 3.35Å; T100-E103 PolarHBondContact OG1-N 2.95Å; T100-E103 PolarHBondContact OG1-OE2 3.21Å; V101-E103 VanDerWaalsContact C-N 3.31Å; V101-E103 PolarHBondContact O-N 2.62Å; E103-L107 PolarHBondContact O-N 3.24Å
104N98.2Very high96.3Very high0 Ų049.7 Ų49.70%027%0.273CS..Hα-helixtrans-64.3-43.1171.1-91.2-85.8000111.2L96 R99 T100 V101 I102 L107 V151 R155L96-N104 PolarHBondContact N-OD1 2.89Å; L96-N104 PolarHBondContact O-ND2 2.84Å; R99-N104 PolarHBondContact O-ND2 3.4Å; R99-N104 VanDerWaalsContact O-ND2 3.15Å; T100-N104 WeakPolarHBondContact O-CB 3.31Å; T100-N104 PolarHBondContact O-N 3.48Å; T100-N104 PolarHBondContact O-ND2 3.41Å; V101-N104 WeakPolarHBondContact O-CB 3.29Å; V101-N104 PolarHBondContact O-N 3.12Å; I102-N104 VanDerWaalsContact C-N 3.35Å; I102-N104 PolarHBondContact O-N 2.88Å; N104-L107 PolarHBondContact O-N 3.46Å; N104-V151 HydrophobicContact CB-CG1 4.17Å; N104-R155 VanDerWaalsContact O-CD 3.27Å; N104-R155 WeakPolarHBondContact O-CD 3.46Å; N104-R155 WeakPolarHBondContact O-CG 3.42Å
105I97.8Very high96.6Very high0 Ų047.9 Ų47.90%027%0.27CS..Hα-helixtrans-71.4-34.1178.8-62.6164.8000111.3V101 I102 L107 P108 A123 L126 L127 V151 A154 A158V101-I105 HydrophobicContact CG1-CD1 4.12Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 2.87Å; V101-I105 VanDerWaalsContact O-N 3.14Å; I102-I105 PolarHBondContact O-N 2.74Å; I105-L107 VanDerWaalsContact C-N 3.32Å; I105-L107 PolarHBondContact O-N 2.91Å; I105-P108 VanDerWaalsContact O-CD 3.29Å; I105-P108 WeakPolarHBondContact O-CD 3.42Å; I105-A123 HydrophobicContact CB-CB 4.18Å; I105-A123 HydrophobicContact CG2-CB 3.78Å; I105-L126 HydrophobicContact CG2-CB 4.19Å; I105-L126 HydrophobicContact CG2-CD1 3.82Å; I105-L127 HydrophobicContact CD1-CD1 4.49Å; I105-L127 HydrophobicContact CD1-CD2 3.5Å; I105-L127 VanDerWaalsContact CD1-CD2 3.5Å; I105-L127 HydrophobicContact CD1-CG 3.69Å; I105-V151 HydrophobicContact CG1-CG1 4.26Å; I105-A154 HydrophobicContact CD1-CB 3.63Å; I105-A154 HydrophobicContact CG1-CB 3.84Å; I105-A154 HydrophobicContact CG2-CB 4.45Å; I105-A158 WeakPolarHBondContact O-CB 3.49Å
106Q98Very high96.6Very high24 Ų2455 Ų5511%0.11230%0.3CS..Hα-helixtrans-73-20.8177.5-72.6178.120.900113.7I102 L109 E110 R119 A123I102-Q106 WeakPolarHBondContact O-CB 3.46Å; I102-Q106 VanDerWaalsContact O-CG 3.23Å; I102-Q106 WeakPolarHBondContact O-CG 3.18Å; I102-Q106 PolarHBondContact O-N 3.29Å; Q106-L109 WeakPolarHBondContact O-CB 3.4Å; Q106-L109 PolarHBondContact O-N 3.11Å; Q106-L109 VanDerWaalsContact O-N 3.14Å; Q106-E110 PolarHBondContact O-N 3.07Å; Q106-R119 HydrophobicContact CB-CB 4.47Å; Q106-R119 HydrophobicContact CG-CB 4.1Å; Q106-A123 HydrophobicContact CG-CB 3.65Å
107L97.2Very high96.5Very high38 Ų3857.1 Ų57.120%0.19931%0.312CS..Hα-helixtrans-56.1-47.9-173.9175.271.2000113.6L96 E103 N104 I105 L109 E110 L111L96-L107 HydrophobicContact CD1-CD2 3.66Å; E103-L107 PolarHBondContact O-N 3.24Å; N104-L107 PolarHBondContact O-N 3.46Å; I105-L107 VanDerWaalsContact C-N 3.32Å; I105-L107 PolarHBondContact O-N 2.91Å; L107-L109 VanDerWaalsContact C-N 3.26Å; L107-L109 PolarHBondContact O-N 3.49Å; L107-E110 WeakPolarHBondContact O-CB 3.08Å; L107-E110 PolarHBondContact O-N 3.14Å; L107-L111 HydrophobicContact CD1-CD1 4.26Å; L107-L111 HydrophobicContact CD1-CG 4.29Å; L107-L111 HydrophobicContact CG-CD1 4.22Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.43Å
108P96.4Very high96.7Very high24 Ų2455.1 Ų55.116%0.15631%0.309CS..Hα-helixtrans-61.2-36.4178.4-22.735.3000112.7I105 L111 A112 R155 A158 N159I105-P108 VanDerWaalsContact O-CD 3.29Å; I105-P108 WeakPolarHBondContact O-CD 3.42Å; P108-L111 PolarHBondContact O-N 3.46Å; P108-A112 WeakPolarHBondContact O-CB 3.34Å; P108-A112 PolarHBondContact O-N 2.93Å; P108-R155 HydrophobicContact CG-CG 3.68Å; P108-A158 HydrophobicContact CB-CB 4.09Å; P108-A158 HydrophobicContact CG-CB 4.06Å; P108-N159 WeakPolarHBondContact CB-ND2 3.33Å
109L97.1Very high96.7Very high11 Ų1152.5 Ų52.56%0.05829%0.285CS..Hα-helixtrans-71.9-36.3177.4-61.8166.9000112.1Q106 L107 L111 A112 G113 V114 R119 K122 A158Q106-L109 WeakPolarHBondContact O-CB 3.4Å; Q106-L109 PolarHBondContact O-N 3.11Å; Q106-L109 VanDerWaalsContact O-N 3.14Å; L107-L109 VanDerWaalsContact C-N 3.26Å; L107-L109 PolarHBondContact O-N 3.49Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L109-A112 CarbonylContact O-C 3.57Å; L109-A112 PolarHBondContact O-N 3.13Å; L109-G113 PolarHBondContact O-N 3.21Å; L109-G113 VanDerWaalsContact O-N 3.16Å; L109-V114 HydrophobicContact CB-CB 4.17Å; L109-V114 HydrophobicContact CB-CG2 4.3Å; L109-V114 HydrophobicContact CD2-CG2 4.14Å; L109-V114 WeakPolarHBondContact O-CB 3.4Å; L109-V114 PolarHBondContact O-N 3Å; L109-R119 HydrophobicContact CB-CB 4.48Å; L109-R119 HydrophobicContact CB-CG 3.61Å; L109-R119 HydrophobicContact CD1-CB 4.41Å; L109-R119 HydrophobicContact CD1-CG 4.31Å; L109-K122 HydrophobicContact CD1-CB 3.89Å; L109-K122 HydrophobicContact CD1-CG 3.8Å; L109-A158 HydrophobicContact CD1-CB 4.47Å; L109-A158 VanDerWaalsContact CD2-O 3.23Å; L109-A158 WeakPolarHBondContact CD2-O 3.31Å; L109-A158 HydrophobicContact CG-CB 4.16Å
110E96.5Very high96.6Very high81 Ų8156.2 Ų56.238%0.37930%0.299SS..Hα-helixtrans-58.1-48.5172.5-176.5178.2174.400110.3R99 Q106 L107 A112 G113 R119R99-E110 IonicContact CZ-OE2 2.79Å; R99-E110 IonicContact NH1-OE2 3.82Å; R99-E110 PolarHBondContact NH1-OE2 2.93Å; R99-E110 IonicContact NH2-OE1 3.17Å; R99-E110 IonicContact NH2-OE2 2.83Å; R99-E110 PolarHBondContact NH2-OE2 2.91Å; Q106-E110 PolarHBondContact O-N 3.07Å; L107-E110 WeakPolarHBondContact O-CB 3.08Å; L107-E110 PolarHBondContact O-N 3.14Å; E110-A112 PolarHBondContact O-N 3Å; E110-G113 PolarHBondContact O-N 3.38Å; E110-R119 VanDerWaalsContact CG-NH1 3.27Å; E110-R119 IonicContact OE2-NH1 2.78Å
111L94.3Very high96.6Very high135 Ų13562 Ų6271%0.70732%0.323SS*.Hα-helixtrans-67.4-24.3176.7-63.7174.3000112.8L107 P108 L109 G113L107-L111 HydrophobicContact CD1-CD1 4.26Å; L107-L111 HydrophobicContact CD1-CG 4.29Å; L107-L111 HydrophobicContact CG-CD1 4.22Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.43Å; P108-L111 PolarHBondContact O-N 3.46Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L111-G113 VanDerWaalsContact C-N 3.3Å
112A93.5Very high96.5Very high33 Ų3364 Ų6427%0.27333%0.332SS..THydrogen-bonded Turntrans-80.9-7.7173.200000113.7K84 P108 L109 E110 V114K84-A112 HydrophobicContact CD-CB 4.4Å; P108-A112 WeakPolarHBondContact O-CB 3.34Å; P108-A112 PolarHBondContact O-N 2.93Å; L109-A112 CarbonylContact O-C 3.57Å; L109-A112 PolarHBondContact O-N 3.13Å; E110-A112 PolarHBondContact O-N 3Å; A112-V114 HydrophobicContact CB-CG2 4.23Å
113G94.2Very high96.5Very high67 Ų6763.3 Ų63.369%0.69133%0.328SS*.THydrogen-bonded Turntrans83.317.4179.400000114.5L109 E110 L111L109-G113 PolarHBondContact O-N 3.21Å; L109-G113 VanDerWaalsContact O-N 3.16Å; E110-G113 PolarHBondContact O-N 3.38Å; L111-G113 VanDerWaalsContact C-N 3.3Å
114V95.9Very high96.5Very high44 Ų4463.8 Ų63.827%0.26733%0.33SS..  trans-72.4139.2-178.9-179.40000110.7L109 A112 Q118 R119L109-V114 HydrophobicContact CB-CB 4.17Å; L109-V114 HydrophobicContact CB-CG2 4.3Å; L109-V114 HydrophobicContact CD2-CG2 4.14Å; L109-V114 WeakPolarHBondContact O-CB 3.4Å; L109-V114 PolarHBondContact O-N 3Å; A112-V114 HydrophobicContact CB-CG2 4.23Å; V114-Q118 HydrophobicContact CG1-CB 3.69Å; V114-R119 HydrophobicContact CB-CG 3.79Å; V114-R119 HydrophobicContact CG1-CG 3.8Å; V114-R119 VanDerWaalsContact O-CD 3.28Å; V114-R119 WeakPolarHBondContact O-CD 3.11Å; V114-R119 WeakPolarHBondContact O-CG 3.24Å; V114-R119 PolarHBondContact O-NE 3.17Å
115A97.1Very high96.4Very high46 Ų4668.6 Ų68.638%0.3835%0.353SS..  trans-59.7146.6-179.200000112.2D117 Q118 R119A115-D117 VanDerWaalsContact C-N 3.33Å; A115-D117 WeakPolarHBondContact CB-OD1 3.4Å; A115-D117 PolarHBondContact O-N 3.17Å; A115-Q118 HydrophobicContact CB-CG 4.38Å; A115-Q118 PolarHBondContact O-N 3.14Å; A115-Q118 VanDerWaalsContact O-N 3.16Å; A115-R119 WeakPolarHBondContact O-CG 3.34Å; A115-R119 PolarHBondContact O-N 3.43Å
116K95.9Very high96.4Very high160 Ų16069 Ų6970%0.69636%0.355SS*.Hα-helixtrans-58.6-40.8-169.9-175.4179.5178.31790113.5R120K116-R120 PolarHBondContact O-N 2.83Å; K116-R120 VanDerWaalsContact O-N 3.09Å
117D95.7Very high96.3Very high115 Ų11568.3 Ų68.362%0.61535%0.352SS*.Hα-helixtrans-62.8-47176.360.4-37.7000111.8A115 R119 R120 K121A115-D117 VanDerWaalsContact C-N 3.33Å; A115-D117 WeakPolarHBondContact CB-OD1 3.4Å; A115-D117 PolarHBondContact O-N 3.17Å; D117-R119 PolarHBondContact O-N 3.01Å; D117-R120 PolarHBondContact O-N 3.24Å; D117-K121 PolarHBondContact O-N 2.61Å; D117-K121 VanDerWaalsContact O-N 3.08Å
118Q97Very high96.3Very high117 Ų11769.6 Ų69.655%0.54736%0.364SS..Hα-helixtrans-64.4-40.7177.2-65.2178.31.600111.8V114 A115 R120 K121 K122V114-Q118 HydrophobicContact CG1-CB 3.69Å; A115-Q118 HydrophobicContact CB-CG 4.38Å; A115-Q118 PolarHBondContact O-N 3.14Å; A115-Q118 VanDerWaalsContact O-N 3.16Å; Q118-R120 PolarHBondContact O-N 2.82Å; Q118-K121 PolarHBondContact O-N 3.15Å; Q118-K122 WeakPolarHBondContact O-CB 3.37Å; Q118-K122 PolarHBondContact O-N 3.39Å
119R97.4Very high96.2Very high41 Ų4170.5 Ų70.516%0.15537%0.367CS..Hα-helixtrans-58.2-47.6175.2-72.7-170.4-76.8151.3-5.6112.1Q106 L109 E110 V114 A115 D117 K122 A123Q106-R119 HydrophobicContact CB-CB 4.47Å; Q106-R119 HydrophobicContact CG-CB 4.1Å; L109-R119 HydrophobicContact CB-CB 4.48Å; L109-R119 HydrophobicContact CB-CG 3.61Å; L109-R119 HydrophobicContact CD1-CB 4.41Å; L109-R119 HydrophobicContact CD1-CG 4.31Å; E110-R119 VanDerWaalsContact CG-NH1 3.27Å; E110-R119 IonicContact OE2-NH1 2.78Å; V114-R119 HydrophobicContact CB-CG 3.79Å; V114-R119 HydrophobicContact CG1-CG 3.8Å; V114-R119 VanDerWaalsContact O-CD 3.28Å; V114-R119 WeakPolarHBondContact O-CD 3.11Å; V114-R119 WeakPolarHBondContact O-CG 3.24Å; V114-R119 PolarHBondContact O-NE 3.17Å; A115-R119 WeakPolarHBondContact O-CG 3.34Å; A115-R119 PolarHBondContact O-N 3.43Å; D117-R119 PolarHBondContact O-N 3.01Å; R119-K122 PolarHBondContact O-N 2.76Å; R119-A123 VanDerWaalsContact O-CB 3.29Å; R119-A123 WeakPolarHBondContact O-CB 3.2Å; R119-A123 PolarHBondContact O-N 2.99Å
120R95.9Very high96.2Very high140 Ų14070 Ų7053%0.52836%0.364SS..Hα-helixtrans-62.3-49.1-179.9-178.2173.5-179.5154.86.8111.3I102 K116 D117 Q118 K122 A123 E124I102-R120 HydrophobicContact CD1-CG 4.19Å; K116-R120 PolarHBondContact O-N 2.83Å; K116-R120 VanDerWaalsContact O-N 3.09Å; D117-R120 PolarHBondContact O-N 3.24Å; Q118-R120 PolarHBondContact O-N 2.82Å; R120-K122 PolarHBondContact O-N 3.29Å; R120-A123 PolarHBondContact O-N 3.17Å; R120-E124 HydrophobicContact CG-CG 4.5Å; R120-E124 WeakPolarHBondContact CG-OE1 3.06Å; R120-E124 IonicContact CZ-OE1 2.85Å; R120-E124 IonicContact NE-OE1 3.65Å; R120-E124 PolarHBondContact NE-OE1 3.41Å; R120-E124 IonicContact NH2-OE1 3.24Å; R120-E124 WeakPolarHBondContact O-CG 3.28Å; R120-E124 PolarHBondContact O-N 3.09Å
121K96.9Very high96.1Very high133 Ų13368.2 Ų68.258%0.57837%0.368SS*.Hα-helixtrans-57.1-49.6177.8-176.9179.8175.9-174.70111.8D117 Q118 A123 E124 E125D117-K121 PolarHBondContact O-N 2.61Å; D117-K121 VanDerWaalsContact O-N 3.08Å; Q118-K121 PolarHBondContact O-N 3.15Å; K121-A123 VanDerWaalsContact C-N 3.33Å; K121-A123 PolarHBondContact O-N 2.92Å; K121-E124 PolarHBondContact O-N 2.95Å; K121-E125 VanDerWaalsContact CE-OE1 3.23Å; K121-E125 WeakPolarHBondContact CE-OE1 3.22Å; K121-E125 WeakPolarHBondContact O-CG 3.48Å; K121-E125 PolarHBondContact O-N 2.81Å
122K97.1Very high96.2Very high44 Ų4462.1 Ų62.119%0.19134%0.336CS..Hα-helixtrans-60.8-41.8178.1-176.268.7-179.6-162.50112.1L109 Q118 R119 R120 E125 L126 D160L109-K122 HydrophobicContact CD1-CB 3.89Å; L109-K122 HydrophobicContact CD1-CG 3.8Å; Q118-K122 WeakPolarHBondContact O-CB 3.37Å; Q118-K122 PolarHBondContact O-N 3.39Å; R119-K122 PolarHBondContact O-N 2.76Å; R120-K122 PolarHBondContact O-N 3.29Å; K122-E125 PolarHBondContact O-N 2.86Å; K122-L126 HydrophobicContact CD-CD1 4.49Å; K122-L126 HydrophobicContact CG-CD1 4.02Å; K122-L126 VanDerWaalsContact O-CG 3.3Å; K122-L126 WeakPolarHBondContact O-CG 3.44Å; K122-L126 PolarHBondContact O-N 2.88Å; K122-D160 IonicContact NZ-OD1 3.7Å; K122-D160 PolarHBondContact NZ-OD1 2.74Å; K122-D160 IonicContact NZ-OD2 2.62Å; K122-D160 PolarHBondContact NZ-OD2 3.24Å
123A97.5Very high96.2Very high0 Ų065.4 Ų65.40%035%0.349CS..Hα-helixtrans-66.1-37.3178.400000112.5I102 I105 Q106 R119 R120 K121 L126 L127I102-A123 HydrophobicContact CD1-CB 4.33Å; I102-A123 HydrophobicContact CG1-CB 3.65Å; I105-A123 HydrophobicContact CB-CB 4.18Å; I105-A123 HydrophobicContact CG2-CB 3.78Å; Q106-A123 HydrophobicContact CG-CB 3.65Å; R119-A123 VanDerWaalsContact O-CB 3.29Å; R119-A123 WeakPolarHBondContact O-CB 3.2Å; R119-A123 PolarHBondContact O-N 2.99Å; R120-A123 PolarHBondContact O-N 3.17Å; K121-A123 VanDerWaalsContact C-N 3.33Å; K121-A123 PolarHBondContact O-N 2.92Å; A123-L126 PolarHBondContact O-N 2.98Å; A123-L127 WeakPolarHBondContact O-CB 3.14Å; A123-L127 VanDerWaalsContact O-CG 3.3Å; A123-L127 WeakPolarHBondContact O-CG 3.44Å; A123-L127 PolarHBondContact O-N 2.76Å
124E96.9Very high96.1Very high86 Ų8666.4 Ų66.440%0.40236%0.36SS..Hα-helixtrans-65.4-42.2173.9-72.3167.3-179.900111.5I102 R120 K121 L126 L127 S128I102-E124 HydrophobicContact CD1-CG 3.93Å; R120-E124 HydrophobicContact CG-CG 4.5Å; R120-E124 WeakPolarHBondContact CG-OE1 3.06Å; R120-E124 IonicContact CZ-OE1 2.85Å; R120-E124 IonicContact NE-OE1 3.65Å; R120-E124 PolarHBondContact NE-OE1 3.41Å; R120-E124 IonicContact NH2-OE1 3.24Å; R120-E124 WeakPolarHBondContact O-CG 3.28Å; R120-E124 PolarHBondContact O-N 3.09Å; K121-E124 PolarHBondContact O-N 2.95Å; E124-L126 VanDerWaalsContact C-N 3.35Å; E124-L126 PolarHBondContact O-N 3.14Å; E124-L127 PolarHBondContact O-N 2.79Å; E124-S128 PolarHBondContact O-N 2.89Å; E124-S128 VanDerWaalsContact O-N 3.09Å
125E96.5Very high96.1Very high102 Ų10270 Ų7048%0.47737%0.368SS..Hα-helixtrans-60.6-42.8173.7-70.5169.8-172.900112.1K121 K122 S128 L129K121-E125 VanDerWaalsContact CE-OE1 3.23Å; K121-E125 WeakPolarHBondContact CE-OE1 3.22Å; K121-E125 WeakPolarHBondContact O-CG 3.48Å; K121-E125 PolarHBondContact O-N 2.81Å; K122-E125 PolarHBondContact O-N 2.86Å; E125-S128 PolarHBondContact O-N 2.77Å; E125-L129 PolarHBondContact O-N 3.04Å
126L97Very high96Very high9 Ų968.3 Ų68.35%0.04736%0.355CS..Hα-helixtrans-69.1-35177.9-71.6164.8000112.4I105 K122 A123 E124 S128 L129 V130 A154 L157 A158I105-L126 HydrophobicContact CG2-CB 4.19Å; I105-L126 HydrophobicContact CG2-CD1 3.82Å; K122-L126 HydrophobicContact CD-CD1 4.49Å; K122-L126 HydrophobicContact CG-CD1 4.02Å; K122-L126 VanDerWaalsContact O-CG 3.3Å; K122-L126 WeakPolarHBondContact O-CG 3.44Å; K122-L126 PolarHBondContact O-N 2.88Å; A123-L126 PolarHBondContact O-N 2.98Å; E124-L126 VanDerWaalsContact C-N 3.35Å; E124-L126 PolarHBondContact O-N 3.14Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-L129 HydrophobicContact CD2-CD2 4.26Å; L126-L129 WeakPolarHBondContact O-CB 3.22Å; L126-L129 PolarHBondContact O-N 3.31Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.33Å; L126-V130 VanDerWaalsContact O-N 3.11Å; L126-A154 HydrophobicContact CB-CB 4.15Å; L126-L157 HydrophobicContact CD2-CB 3.85Å; L126-A158 HydrophobicContact CD1-CB 4.11Å
127L96.9Very high96.1Very high9 Ų966.8 Ų66.85%0.04736%0.355CS..Hα-helixtrans-60.8-44.7172.9-79.9169.4000111.6V101 I102 I105 A123 E124 L129 V130 G131 L132V101-L127 HydrophobicContact CG1-CD2 3.46Å; V101-L127 VanDerWaalsContact CG1-CD2 3.46Å; I102-L127 HydrophobicContact CB-CD1 4.3Å; I102-L127 HydrophobicContact CG1-CD1 4.17Å; I105-L127 HydrophobicContact CD1-CD1 4.49Å; I105-L127 HydrophobicContact CD1-CD2 3.5Å; I105-L127 VanDerWaalsContact CD1-CD2 3.5Å; I105-L127 HydrophobicContact CD1-CG 3.69Å; A123-L127 WeakPolarHBondContact O-CB 3.14Å; A123-L127 VanDerWaalsContact O-CG 3.3Å; A123-L127 WeakPolarHBondContact O-CG 3.44Å; A123-L127 PolarHBondContact O-N 2.76Å; E124-L127 PolarHBondContact O-N 2.79Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L127-V130 WeakPolarHBondContact O-CG2 3.33Å; L127-V130 PolarHBondContact O-N 2.92Å; L127-G131 PolarHBondContact O-N 2.79Å; L127-G131 VanDerWaalsContact O-N 3.16Å; L127-L132 HydrophobicContact CD2-CB 3.74Å; L127-L132 HydrophobicContact CD2-CD1 4.39Å; L127-L132 PolarHBondContact O-N 3.03Å
128S96.2Very high96.1Very high64 Ų6461.9 Ų61.945%0.44833%0.331SS..Hα-helixtrans-63.9-42.1176.1-163.30000111.5E124 E125 L126 V130 G131 D133E124-S128 PolarHBondContact O-N 2.89Å; E124-S128 VanDerWaalsContact O-N 3.09Å; E125-S128 PolarHBondContact O-N 2.77Å; L126-S128 VanDerWaalsContact C-N 3.33Å; S128-V130 VanDerWaalsContact C-N 3.25Å; S128-V130 PolarHBondContact O-N 3.5Å; S128-G131 PolarHBondContact O-N 3.01Å; S128-D133 WeakPolarHBondContact CA-OD1 3.28Å; S128-D133 WeakPolarHBondContact CB-OD1 3.18Å; S128-D133 PolarHBondContact OG-OD1 3.14Å
129L94.9Very high96.2Very high43 Ų4361.1 Ų61.123%0.22532%0.323CS..Hα-helixtrans-57.3-37.8177.3-177.266.9000112.8E125 L126 L127 L157 I188 K191E125-L129 PolarHBondContact O-N 3.04Å; L126-L129 HydrophobicContact CD2-CD2 4.26Å; L126-L129 WeakPolarHBondContact O-CB 3.22Å; L126-L129 PolarHBondContact O-N 3.31Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L129-L157 HydrophobicContact CD2-CD1 4.04Å; L129-I188 HydrophobicContact CD2-CG1 4.43Å; L129-K191 HydrophobicContact CD1-CD 4Å
130V95.9Very high96.1Very high0 Ų059.2 Ų59.20%032%0.316CS..THydrogen-bonded Turntrans-93.15.3179.9-55.40000113.8L126 L127 S128 L132 R150 I153 A154 L184L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.33Å; L126-V130 VanDerWaalsContact O-N 3.11Å; L127-V130 WeakPolarHBondContact O-CG2 3.33Å; L127-V130 PolarHBondContact O-N 2.92Å; S128-V130 VanDerWaalsContact C-N 3.25Å; S128-V130 PolarHBondContact O-N 3.5Å; V130-L132 HydrophobicContact CG2-CB 4.08Å; V130-L132 HydrophobicContact CG2-CD1 3.84Å; V130-L132 HydrophobicContact CG2-CG 3.87Å; V130-R150 HydrophobicContact CB-CB 4.1Å; V130-R150 HydrophobicContact CG2-CB 4.19Å; V130-R150 WeakPolarHBondContact O-CD 3.09Å; V130-R150 PolarHBondContact O-NH1 3.43Å; V130-I153 HydrophobicContact CG1-CB 4.46Å; V130-I153 HydrophobicContact CG1-CG2 4.13Å; V130-A154 HydrophobicContact CG1-CB 3.88Å; V130-A154 HydrophobicContact CG2-CB 4.01Å; V130-L184 HydrophobicContact CB-CD2 3.99Å; V130-L184 HydrophobicContact CG1-CD2 4.11Å
131G95.2Very high96.1Very high45 Ų4556.5 Ų56.546%0.46432%0.319SS..THydrogen-bonded Turntrans69.935.9178.100000113.9L127 S128L127-G131 PolarHBondContact O-N 2.79Å; L127-G131 VanDerWaalsContact O-N 3.16Å; S128-G131 PolarHBondContact O-N 3.01Å
132L95.9Very high96.1Very high6 Ų655.9 Ų55.93%0.03132%0.318CS..  trans-115.231.5178.3-67.7-178.9000112.4L127 V130 G134 R135 Q147 R150 V151L127-L132 HydrophobicContact CD2-CB 3.74Å; L127-L132 HydrophobicContact CD2-CD1 4.39Å; L127-L132 PolarHBondContact O-N 3.03Å; V130-L132 HydrophobicContact CG2-CB 4.08Å; V130-L132 HydrophobicContact CG2-CD1 3.84Å; V130-L132 HydrophobicContact CG2-CG 3.87Å; L132-G134 PolarHBondContact O-N 2.99Å; L132-R135 HydrophobicContact CB-CB 4.36Å; L132-R135 WeakPolarHBondContact O-CB 3.32Å; L132-R135 PolarHBondContact O-N 3.19Å; L132-R135 VanDerWaalsContact O-N 3.08Å; L132-Q147 HydrophobicContact CD2-CB 4.22Å; L132-Q147 HydrophobicContact CD2-CG 3.92Å; L132-R150 HydrophobicContact CD1-CB 3.74Å; L132-R150 HydrophobicContact CG-CB 4.13Å; L132-V151 HydrophobicContact CD1-CG2 3.5Å; L132-V151 VanDerWaalsContact CD1-CG2 3.5Å
133D94.2Very high96Very high102 Ų10254.3 Ų54.355%0.54531%0.312SS..THydrogen-bonded Turntrans-52.6136.2174.8-59.6-82.2000111.4S128 R135S128-D133 WeakPolarHBondContact CA-OD1 3.28Å; S128-D133 WeakPolarHBondContact CB-OD1 3.18Å; S128-D133 PolarHBondContact OG-OD1 3.14Å; D133-R135 PolarHBondContact O-N 2.87Å
134G92.4Very high95.8Very high88 Ų8857.2 Ų57.291%0.90733%0.332SS*.THydrogen-bonded Turntrans72.5-1.1-178.200000115.8L132L132-G134 PolarHBondContact O-N 2.99Å
135R94.7Very high95.5Very high120 Ų12054.4 Ų54.445%0.45333%0.325SS..  trans-97.15.7177.9-61.8-65.3-171.4160.30.8114.3V101 L132 D133 D137 A138V101-R135 WeakPolarHBondContact CB-O 3.43Å; L132-R135 HydrophobicContact CB-CB 4.36Å; L132-R135 WeakPolarHBondContact O-CB 3.32Å; L132-R135 PolarHBondContact O-N 3.19Å; L132-R135 VanDerWaalsContact O-N 3.08Å; D133-R135 PolarHBondContact O-N 2.87Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 3.03Å; R135-A138 WeakPolarHBondContact O-CB 3.41Å; R135-A138 PolarHBondContact O-N 3.13Å; R135-A138 VanDerWaalsContact O-N 3.13Å
136G95.8Very high95.4Very high10 Ų1049.7 Ų49.710%0.10330%0.304CS..THydrogen-bonded Turntrans-57.2-38.2-174.200000114.7V101 I102V101-G136 PolarHBondContact N-O 3.12Å; I102-G136 WeakPolarHBondContact CB-O 3.46Å; I102-G136 WeakPolarHBondContact CG2-O 3.4Å; I102-G136 PolarHBondContact N-O 2.98Å
137D97.1Very high95.3Very high128 Ų12851.6 Ų51.668%0.68431%0.313SS*.THydrogen-bonded Turntrans-86.6-4.7-177.7-61.1-40.9000113.7T100 R135T100-D137 WeakPolarHBondContact CG2-O 3.27Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 3.03Å
138A97.4Very high95.2Very high13 Ų1352.9 Ų52.911%0.10732%0.318CS..  trans-69.8150.6176.800000111T100 V101 R135 L143T100-A138 CarbonylContact C-O 3.45Å; T100-A138 VanDerWaalsContact CA-O 3.27Å; T100-A138 WeakPolarHBondContact CA-O 3.33Å; V101-A138 HydrophobicContact CG2-CB 4.38Å; V101-A138 WeakPolarHBondContact CG2-O 3.34Å; V101-A138 PolarHBondContact N-O 2.93Å; R135-A138 WeakPolarHBondContact O-CB 3.41Å; R135-A138 PolarHBondContact O-N 3.13Å; R135-A138 VanDerWaalsContact O-N 3.13Å; A138-L143 HydrophobicContact CB-CD2 4.23Å
139Y97.9Very high95.2Very high101 Ų10149.9 Ų49.940%0.39630%0.297SS..  trans-91.3156169.2-75-92.1000111T100 S141 Q142T100-Y139 HydrophobicContact CG2-CD2 4.31Å; T100-Y139 HydrophobicContact CG2-CE1 4.1Å; T100-Y139 HydrophobicContact CG2-CE2 3.84Å; Y139-S141 PolarHBondContact O-N 3.47Å; Y139-Q142 WeakPolarHBondContact O-CB 3.21Å; Y139-Q142 PolarHBondContact O-N 3.33Å
140P96.3Very high95.3Very high1 Ų149.9 Ų49.91%0.00629%0.294CS..G310 helixtrans-52.5-29.7177.6-30.536.7000114.8L95 W97 R99 Q142 L143 K148L95-P140 HydrophobicContact CB-CB 4.3Å; L95-P140 HydrophobicContact CB-CG 4.01Å; L95-P140 HydrophobicContact CD1-CB 4.22Å; L95-P140 HydrophobicContact CD1-CG 4.28Å; W97-P140 HydrophobicContact CD2-CB 4.26Å; W97-P140 HydrophobicContact CE3-CB 4.01Å; W97-P140 HydrophobicContact CZ3-CB 4.33Å; R99-P140 WeakPolarHBondContact O-CD 3.48Å; P140-Q142 PolarHBondContact O-N 2.85Å; P140-L143 PolarHBondContact O-N 2.89Å; P140-K148 WeakPolarHBondContact O-CE 3.48Å
141S95.6Very high95.3Very high83 Ų8349.9 Ų49.958%0.5829%0.294SS*.G310 helixtrans-65.1-19175.751.50000114.5Y139Y139-S141 PolarHBondContact O-N 3.47Å
142Q96Very high95.4Very high120 Ų12047.9 Ų47.956%0.56127%0.274SS*.G310 helixtrans-96.96.1-178.4-56.7174-80.300112.6Y139 P140Y139-Q142 WeakPolarHBondContact O-CB 3.21Å; Y139-Q142 PolarHBondContact O-N 3.33Å; P140-Q142 PolarHBondContact O-N 2.85Å
143L94.8Very high95.4Very high11 Ų1147.7 Ų47.76%0.05827%0.272CS..SBendtrans-111.1145.8-174-60.5-174.4000112.8V101 A138 P140 Q147 K148 V151V101-L143 HydrophobicContact CG2-CD1 3.6Å; V101-L143 HydrophobicContact CG2-CD2 4.36Å; V101-L143 HydrophobicContact CG2-CG 4.34Å; A138-L143 HydrophobicContact CB-CD2 4.23Å; P140-L143 PolarHBondContact O-N 2.89Å; L143-Q147 HydrophobicContact CB-CB 3.88Å; L143-Q147 HydrophobicContact CD1-CB 4.37Å; L143-Q147 HydrophobicContact CD2-CB 4.18Å; L143-Q147 HydrophobicContact CG-CB 4.37Å; L143-K148 HydrophobicContact CB-CG 3.77Å; L143-K148 HydrophobicContact CD1-CG 4.21Å; L143-K148 VanDerWaalsContact O-CE 3.25Å; L143-K148 WeakPolarHBondContact O-CE 3.2Å; L143-K148 PolarHBondContact O-NZ 3.03Å; L143-V151 HydrophobicContact CD1-CG2 3.83Å
144S93.2Very high95.6Very high61 Ų6142.8 Ų42.843%0.42725%0.246SC..  trans-67.6167.116675.20000111.7G146 Q147 K148S144-G146 PolarHBondContact O-N 3.12Å; S144-Q147 PolarHBondContact O-N 3.05Å; S144-Q147 WeakPolarHBondContact OG-CG 3.09Å; S144-Q147 PolarHBondContact OG-N 3.22Å; S144-K148 WeakPolarHBondContact O-CG 3.42Å; S144-K148 PolarHBondContact O-N 3.31Å
145G92.3Very high95.8Very high26 Ų2640.1 Ų40.127%0.26821%0.209SC..Hα-helixtrans-55.3-48.7175.700000112.5F93 Q147 K148 Q149F93-G145 VanDerWaalsContact CE1-O 3.32Å; F93-G145 WeakPolarHBondContact CE1-O 3.36Å; G145-Q147 PolarHBondContact O-N 3.41Å; G145-K148 WeakPolarHBondContact O-CB 3.32Å; G145-K148 PolarHBondContact O-N 3.18Å; G145-Q149 PolarHBondContact O-N 3.42Å
146G93Very high95.9Very high3 Ų335 Ų353%0.03119%0.192CC..Hα-helixtrans-61.6-40.317700000113.7S144 Q149 R150S144-G146 PolarHBondContact O-N 3.12Å; G146-Q149 WeakPolarHBondContact O-CB 3.26Å; G146-Q149 PolarHBondContact O-N 3.43Å; G146-R150 WeakPolarHBondContact O-CG 3.41Å; G146-R150 PolarHBondContact O-N 3.46Å
147Q95.3Very high96Very high49 Ų4934.7 Ų34.723%0.22919%0.188CC..Hα-helixtrans-64.5-43.5175.6-72.1172.4-18.400111.3L132 L143 S144 G145 Q149 R150 V151L132-Q147 HydrophobicContact CD2-CB 4.22Å; L132-Q147 HydrophobicContact CD2-CG 3.92Å; L143-Q147 HydrophobicContact CB-CB 3.88Å; L143-Q147 HydrophobicContact CD1-CB 4.37Å; L143-Q147 HydrophobicContact CD2-CB 4.18Å; L143-Q147 HydrophobicContact CG-CB 4.37Å; S144-Q147 PolarHBondContact O-N 3.05Å; S144-Q147 WeakPolarHBondContact OG-CG 3.09Å; S144-Q147 PolarHBondContact OG-N 3.22Å; G145-Q147 PolarHBondContact O-N 3.41Å; Q147-Q149 VanDerWaalsContact C-N 3.26Å; Q147-Q149 PolarHBondContact O-N 3.11Å; Q147-R150 PolarHBondContact O-N 3.09Å; Q147-V151 WeakPolarHBondContact O-CG2 3.28Å; Q147-V151 PolarHBondContact O-N 3.28Å
148K95.8Very high96Very high36 Ų3628.6 Ų28.616%0.15716%0.156CC..Hα-helixtrans-58.8-40.1173.8-69.4168.1-180161.70111.5F93 L95 P140 L143 S144 G145 V151 G152F93-K148 HydrophobicContact CB-CB 4.23Å; F93-K148 HydrophobicContact CD1-CB 3.74Å; F93-K148 HydrophobicContact CD2-CB 3.95Å; F93-K148 HydrophobicContact CD2-CD 3.85Å; F93-K148 HydrophobicContact CE1-CB 4.09Å; F93-K148 HydrophobicContact CE2-CB 4.25Å; F93-K148 HydrophobicContact CE2-CD 3.94Å; F93-K148 HydrophobicContact CG-CB 3.7Å; F93-K148 HydrophobicContact CG-CD 4.44Å; F93-K148 HydrophobicContact CZ-CB 4.33Å; L95-K148 HydrophobicContact CD1-CB 3.94Å; L95-K148 HydrophobicContact CD1-CG 4.1Å; P140-K148 WeakPolarHBondContact O-CE 3.48Å; L143-K148 HydrophobicContact CB-CG 3.77Å; L143-K148 HydrophobicContact CD1-CG 4.21Å; L143-K148 VanDerWaalsContact O-CE 3.25Å; L143-K148 WeakPolarHBondContact O-CE 3.2Å; L143-K148 PolarHBondContact O-NZ 3.03Å; S144-K148 WeakPolarHBondContact O-CG 3.42Å; S144-K148 PolarHBondContact O-N 3.31Å; G145-K148 WeakPolarHBondContact O-CB 3.32Å; G145-K148 PolarHBondContact O-N 3.18Å; K148-V151 PolarHBondContact O-N 3.01Å; K148-G152 PolarHBondContact O-N 3.37Å
149Q95.4Very high96Very high2 Ų230.1 Ų30.11%0.00916%0.162CC..Hα-helixtrans-64.8-45.1177.2-165.862.15.900112.2F93 G145 G146 Q147 V151 G152 I153 A169 L173 V181F93-Q149 HydrophobicContact CD1-CB 4.19Å; F93-Q149 HydrophobicContact CE1-CB 3.98Å; G145-Q149 PolarHBondContact O-N 3.42Å; G146-Q149 WeakPolarHBondContact O-CB 3.26Å; G146-Q149 PolarHBondContact O-N 3.43Å; Q147-Q149 VanDerWaalsContact C-N 3.26Å; Q147-Q149 PolarHBondContact O-N 3.11Å; Q149-V151 VanDerWaalsContact C-N 3.28Å; Q149-V151 PolarHBondContact O-N 3.34Å; Q149-G152 CarbonylContact O-C 3.6Å; Q149-G152 WeakPolarHBondContact O-CA 3.28Å; Q149-G152 PolarHBondContact O-N 2.9Å; Q149-I153 HydrophobicContact CG-CD1 4.48Å; Q149-I153 WeakPolarHBondContact O-CG1 3.37Å; Q149-I153 PolarHBondContact O-N 3.09Å; Q149-A169 WeakPolarHBondContact CG-O 3.44Å; Q149-A169 VanDerWaalsContact NE2-CB 3.33Å; Q149-A169 PolarHBondContact NE2-O 2.9Å; Q149-L173 HydrophobicContact CB-CD1 4.29Å; Q149-L173 HydrophobicContact CG-CD1 4.22Å; Q149-V181 HydrophobicContact CB-CG2 4.39Å; Q149-V181 HydrophobicContact CG-CG1 4.06Å; Q149-V181 HydrophobicContact CG-CG2 4.26Å
150R96.3Very high95.8Very high43 Ų4330.2 Ų30.216%0.16217%0.17CC..Hα-helixtrans-57.8-38.9173.9-72.9170.3-177.4-112.710.3112V130 L132 G146 Q147 I153 A154 E180 L184V130-R150 HydrophobicContact CB-CB 4.1Å; V130-R150 HydrophobicContact CG2-CB 4.19Å; V130-R150 WeakPolarHBondContact O-CD 3.09Å; V130-R150 PolarHBondContact O-NH1 3.43Å; L132-R150 HydrophobicContact CD1-CB 3.74Å; L132-R150 HydrophobicContact CG-CB 4.13Å; G146-R150 WeakPolarHBondContact O-CG 3.41Å; G146-R150 PolarHBondContact O-N 3.46Å; Q147-R150 PolarHBondContact O-N 3.09Å; R150-I153 PolarHBondContact O-N 3.07Å; R150-A154 WeakPolarHBondContact O-CB 3.46Å; R150-A154 PolarHBondContact O-N 3.4Å; R150-E180 IonicContact CZ-OE2 3.71Å; R150-E180 IonicContact NH2-OE2 3.28Å; R150-E180 PolarHBondContact NH2-OE2 2.93Å; R150-L184 HydrophobicContact CG-CD2 3.84Å
151V97.2Very high95.8Very high0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-64.7-41.3171.5179.60000111.5L95 V101 N104 I105 L132 L143 Q147 K148 Q149 I153 A154 R155L95-V151 HydrophobicContact CD1-CB 4.04Å; L95-V151 HydrophobicContact CD1-CG1 4.03Å; L95-V151 HydrophobicContact CD2-CB 4.26Å; L95-V151 HydrophobicContact CD2-CG1 3.79Å; V101-V151 HydrophobicContact CB-CG2 4.35Å; V101-V151 HydrophobicContact CG1-CG1 4.25Å; V101-V151 HydrophobicContact CG1-CG2 3.65Å; V101-V151 HydrophobicContact CG2-CG2 3.89Å; N104-V151 HydrophobicContact CB-CG1 4.17Å; I105-V151 HydrophobicContact CG1-CG1 4.26Å; L132-V151 HydrophobicContact CD1-CG2 3.5Å; L132-V151 VanDerWaalsContact CD1-CG2 3.5Å; L143-V151 HydrophobicContact CD1-CG2 3.83Å; Q147-V151 WeakPolarHBondContact O-CG2 3.28Å; Q147-V151 PolarHBondContact O-N 3.28Å; K148-V151 PolarHBondContact O-N 3.01Å; Q149-V151 VanDerWaalsContact C-N 3.28Å; Q149-V151 PolarHBondContact O-N 3.34Å; V151-I153 VanDerWaalsContact C-N 3.34Å; V151-I153 PolarHBondContact O-N 2.93Å; V151-A154 PolarHBondContact O-N 3.47Å; V151-R155 WeakPolarHBondContact O-CB 3.19Å; V151-R155 PolarHBondContact O-N 3.41Å
152G96.5Very high95.8Very high3 Ų330.3 Ų30.33%0.03116%0.164CC..Hα-helixtrans-57.7-44.9173.900000112.6K148 Q149 R155 A156K148-G152 PolarHBondContact O-N 3.37Å; Q149-G152 CarbonylContact O-C 3.6Å; Q149-G152 WeakPolarHBondContact O-CA 3.28Å; Q149-G152 PolarHBondContact O-N 2.9Å; G152-R155 PolarHBondContact O-N 3.49Å; G152-A156 WeakPolarHBondContact O-CB 3.34Å; G152-A156 PolarHBondContact O-N 3.27Å
153I96.9Very high95.9Very high1 Ų124.7 Ų24.71%0.00514%0.138CC..Hα-helixtrans-61.1-53.5174.8-65.9163.7000110.4I89 V130 Q149 R150 V151 R155 A156 L157 V181 L184 L185 I188I89-I153 HydrophobicContact CD1-CB 4.27Å; I89-I153 HydrophobicContact CD1-CG1 3.55Å; I89-I153 HydrophobicContact CG1-CG1 4.27Å; V130-I153 HydrophobicContact CG1-CB 4.46Å; V130-I153 HydrophobicContact CG1-CG2 4.13Å; Q149-I153 HydrophobicContact CG-CD1 4.48Å; Q149-I153 WeakPolarHBondContact O-CG1 3.37Å; Q149-I153 PolarHBondContact O-N 3.09Å; R150-I153 PolarHBondContact O-N 3.07Å; V151-I153 VanDerWaalsContact C-N 3.34Å; V151-I153 PolarHBondContact O-N 2.93Å; I153-R155 VanDerWaalsContact C-N 3.27Å; I153-R155 PolarHBondContact O-N 2.81Å; I153-A156 PolarHBondContact O-N 3.35Å; I153-L157 HydrophobicContact CG2-CD1 3.99Å; I153-L157 HydrophobicContact CG2-CG 4.49Å; I153-L157 WeakPolarHBondContact O-CG 3.39Å; I153-L157 PolarHBondContact O-N 3.16Å; I153-V181 HydrophobicContact CD1-CG1 4.07Å; I153-L184 HydrophobicContact CD1-CD2 3.81Å; I153-L184 HydrophobicContact CD1-CG 4.49Å; I153-L185 HydrophobicContact CD1-CD2 4.26Å; I153-L185 HydrophobicContact CG1-CD2 4.4Å; I153-I188 HydrophobicContact CG2-CD1 3.53Å
154A97.4Very high96Very high0 Ų024.1 Ų24.10%014%0.135CC..Hα-helixtrans-56.2-42.4179.300000112.1I105 L126 V130 R150 V151 L157 A158I105-A154 HydrophobicContact CD1-CB 3.63Å; I105-A154 HydrophobicContact CG1-CB 3.84Å; I105-A154 HydrophobicContact CG2-CB 4.45Å; L126-A154 HydrophobicContact CB-CB 4.15Å; V130-A154 HydrophobicContact CG1-CB 3.88Å; V130-A154 HydrophobicContact CG2-CB 4.01Å; R150-A154 WeakPolarHBondContact O-CB 3.46Å; R150-A154 PolarHBondContact O-N 3.4Å; V151-A154 PolarHBondContact O-N 3.47Å; A154-L157 PolarHBondContact O-N 3Å; A154-A158 PolarHBondContact O-N 2.91Å
155R97.4Very high96.2Very high31 Ų3121.2 Ų21.212%0.11712%0.115CC..Hα-helixtrans-64.9-41.5175.8-178.2-179.563.7-174.5-1.8112.3F93 N94 N104 P108 V151 G152 I153 L157 A158F93-R155 PolarHBondContact O-NH2 3.3Å; N94-R155 PolarHBondContact O-NH1 3.49Å; N94-R155 PolarHBondContact O-NH2 3.26Å; N94-R155 VanDerWaalsContact O-NH2 3.12Å; N104-R155 VanDerWaalsContact O-CD 3.27Å; N104-R155 WeakPolarHBondContact O-CD 3.46Å; N104-R155 WeakPolarHBondContact O-CG 3.42Å; P108-R155 HydrophobicContact CG-CG 3.68Å; V151-R155 WeakPolarHBondContact O-CB 3.19Å; V151-R155 PolarHBondContact O-N 3.41Å; G152-R155 PolarHBondContact O-N 3.49Å; I153-R155 VanDerWaalsContact C-N 3.27Å; I153-R155 PolarHBondContact O-N 2.81Å; R155-L157 PolarHBondContact O-N 2.95Å; R155-A158 VanDerWaalsContact O-CB 3.26Å; R155-A158 WeakPolarHBondContact O-CB 3.44Å; R155-A158 PolarHBondContact O-N 3.42Å
156A97.1Very high96.4Very high13 Ų1320 Ų2011%0.10710%0.102CC..Hα-helixtrans-63.9-31.7178.500000112.2G87 I89 G152 I153 A158 L164G87-A156 WeakPolarHBondContact CA-O 3.12Å; I89-A156 HydrophobicContact CG1-CB 3.85Å; G152-A156 WeakPolarHBondContact O-CB 3.34Å; G152-A156 PolarHBondContact O-N 3.27Å; I153-A156 PolarHBondContact O-N 3.35Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A156-L164 HydrophobicContact CB-CD1 3.64Å
157L97.2Very high96.5Very high3 Ų320.1 Ų20.12%0.01610%0.102CC..THydrogen-bonded Turntrans-82.8-6.2177.6-63.4176.3000114.2L126 L129 I153 A154 R155 N159 D160 P161 L164 I188 L194L126-L157 HydrophobicContact CD2-CB 3.85Å; L129-L157 HydrophobicContact CD2-CD1 4.04Å; I153-L157 HydrophobicContact CG2-CD1 3.99Å; I153-L157 HydrophobicContact CG2-CG 4.49Å; I153-L157 WeakPolarHBondContact O-CG 3.39Å; I153-L157 PolarHBondContact O-N 3.16Å; A154-L157 PolarHBondContact O-N 3Å; R155-L157 PolarHBondContact O-N 2.95Å; L157-N159 VanDerWaalsContact C-N 3.29Å; L157-N159 PolarHBondContact O-N 3.25Å; L157-D160 PolarHBondContact O-N 3.45Å; L157-P161 HydrophobicContact CD2-CG 4.33Å; L157-L164 HydrophobicContact CD2-CD2 4.46Å; L157-I188 HydrophobicContact CD1-CD1 3.91Å; L157-I188 HydrophobicContact CD1-CG1 4.33Å; L157-I188 HydrophobicContact CD1-CG2 4.08Å; L157-I188 HydrophobicContact CD2-CG2 4.23Å; L157-L194 HydrophobicContact CD2-CD2 3.49Å; L157-L194 VanDerWaalsContact CD2-CD2 3.49Å
158A97.6Very high96.3Very high0 Ų018.8 Ų18.80%010%0.096CC..THydrogen-bonded Turntrans-59.1-37.8-167.500000113.9I105 P108 L109 L126 A154 R155 A156 D160I105-A158 WeakPolarHBondContact O-CB 3.49Å; P108-A158 HydrophobicContact CB-CB 4.09Å; P108-A158 HydrophobicContact CG-CB 4.06Å; L109-A158 HydrophobicContact CD1-CB 4.47Å; L109-A158 VanDerWaalsContact CD2-O 3.23Å; L109-A158 WeakPolarHBondContact CD2-O 3.31Å; L109-A158 HydrophobicContact CG-CB 4.16Å; L126-A158 HydrophobicContact CD1-CB 4.11Å; A154-A158 PolarHBondContact O-N 2.91Å; R155-A158 VanDerWaalsContact O-CB 3.26Å; R155-A158 WeakPolarHBondContact O-CB 3.44Å; R155-A158 PolarHBondContact O-N 3.42Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A158-D160 VanDerWaalsContact C-N 3.3Å; A158-D160 PolarHBondContact O-N 2.99Å
159N96Very high95.9Very high46 Ų4617.6 Ų17.625%0.2469%0.093CC..THydrogen-bonded Turntrans-88.814.8-179.8-74.9-39.2000114.1K84 P108 L157K84-N159 HydrophobicContact CB-CB 4.28Å; K84-N159 WeakPolarHBondContact O-CB 3.48Å; P108-N159 WeakPolarHBondContact CB-ND2 3.33Å; L157-N159 VanDerWaalsContact C-N 3.29Å; L157-N159 PolarHBondContact O-N 3.25Å
160D95.3Very high95.6Very high103 Ų10317.8 Ų17.855%0.5519%0.094SC*.  trans52.359.1-176.1-64.1-54.3000112.4K122 L157 A158K122-D160 IonicContact NZ-OD1 3.7Å; K122-D160 PolarHBondContact NZ-OD1 2.74Å; K122-D160 IonicContact NZ-OD2 2.62Å; K122-D160 PolarHBondContact NZ-OD2 3.24Å; L157-D160 PolarHBondContact O-N 3.45Å; A158-D160 VanDerWaalsContact C-N 3.3Å; A158-D160 PolarHBondContact O-N 2.99Å
161P96.4Very high95.2Very high12 Ų1217.7 Ų17.78%0.07810%0.1CC..  trans-69.7156.7-176.933.1-37.8000112.1K85 L157 L194K85-P161 CarbonylContact O-C 3.59Å; K85-P161 WeakPolarHBondContact O-CA 3.39Å; K85-P161 VanDerWaalsContact O-CB 3.25Å; K85-P161 WeakPolarHBondContact O-CB 3.32Å; L157-P161 HydrophobicContact CD2-CG 4.33Å; P161-L194 HydrophobicContact CG-CD1 4.31Å; P161-L194 WeakPolarHBondContact O-CD1 3.18Å
162D94.6Very high94.6Very high73 Ų7320.6 Ų20.639%0.3912%0.124SC..SBendtrans-82.9-27171.6-55.4-46.1000111.3N67 K85 T195N67-D162 PolarHBondContact ND2-OD2 2.92Å; K85-D162 PolarHBondContact O-N 2.84Å; D162-T195 PolarHBondContact O-N 3.44Å
163I97.4Very high94.3Very high2 Ų221.6 Ų21.61%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-128.8136.4-174.7-61.5160.1000109.9L3 I4 V66 K85 V86 G87 L165 T195L3-I163 HydrophobicContact CD2-CD1 3.97Å; L3-I163 HydrophobicContact CD2-CG1 3.57Å; L3-I163 HydrophobicContact CG-CD1 4.07Å; L3-I163 HydrophobicContact CG-CG1 4.23Å; I4-I163 HydrophobicContact CD1-CD1 3.92Å; I4-I163 HydrophobicContact CD1-CG1 4.39Å; I4-I163 HydrophobicContact CD1-CG2 4.15Å; I4-I163 HydrophobicContact CG1-CD1 3.87Å; V66-I163 HydrophobicContact CG1-CD1 3.29Å; K85-I163 PolarHBondContact O-N 2.86Å; V86-I163 CarbonylContact C-O 3.58Å; V86-I163 HydrophobicContact CG1-CG2 4.44Å; V86-I163 HydrophobicContact CG2-CD1 4.49Å; G87-I163 PolarHBondContact N-O 2.87Å; I163-L165 HydrophobicContact CG2-CD2 3.69Å; I163-L165 HydrophobicContact CG2-CG 4.18Å; I163-T195 CarbonylContact C-O 3.53Å; I163-T195 WeakPolarHBondContact CA-O 3.28Å
164L97.7Very high93.9Very high0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-116.5118.3170.2-176.265.6000110.6I89 A156 L157 L185 L194 T195 I196 V197I89-L164 HydrophobicContact CD1-CD1 3.71Å; I89-L164 HydrophobicContact CD1-CD2 3.8Å; I89-L164 HydrophobicContact CD1-CG 3.92Å; I89-L164 HydrophobicContact CG1-CD1 4Å; A156-L164 HydrophobicContact CB-CD1 3.64Å; L157-L164 HydrophobicContact CD2-CD2 4.46Å; L164-L185 HydrophobicContact CD2-CD2 3.82Å; L164-L194 HydrophobicContact CB-CD2 3.65Å; L164-L194 HydrophobicContact CB-CG 4.1Å; L164-L194 HydrophobicContact CD2-CD2 3.91Å; L164-L194 HydrophobicContact CG-CD2 4.38Å; L164-T195 PolarHBondContact N-O 2.9Å; L164-I196 HydrophobicContact CB-CG1 4.3Å; L164-I196 HydrophobicContact CD2-CD1 4.36Å; L164-I196 HydrophobicContact CD2-CG1 4.43Å; L164-I196 CarbonylContact O-C 3.55Å; L164-I196 WeakPolarHBondContact O-CA 3.49Å; L164-V197 PolarHBondContact O-N 3.27Å
165L97.6Very high93.4Very high0 Ų030.1 Ų30.10%018%0.179CC..EExtended strand (participates in β ladder)trans-97.4126.9176.4-56.6-179.6000110.1V50 L53 N54 V86 G87 M88 I89 I163 V197V50-L165 HydrophobicContact CG1-CB 3.92Å; V50-L165 HydrophobicContact CG1-CD1 4.09Å; V50-L165 HydrophobicContact CG1-CG 4.49Å; L53-L165 HydrophobicContact CB-CD1 3.99Å; L53-L165 HydrophobicContact CB-CD2 4.33Å; L53-L165 HydrophobicContact CD1-CD2 3.93Å; N54-L165 HydrophobicContact CB-CD1 3.79Å; V86-L165 HydrophobicContact CG1-CD1 3.53Å; V86-L165 HydrophobicContact CG1-CG 3.8Å; G87-L165 PolarHBondContact O-N 3.4Å; M88-L165 CarbonylContact C-O 3.52Å; M88-L165 WeakPolarHBondContact CA-O 3.34Å; M88-L165 HydrophobicContact CG-CB 4.32Å; I89-L165 PolarHBondContact N-O 3.2Å; I163-L165 HydrophobicContact CG2-CD2 3.69Å; I163-L165 HydrophobicContact CG2-CG 4.18Å; L165-V197 CarbonylContact C-O 3.58Å; L165-V197 WeakPolarHBondContact CA-O 3.35Å; L165-V197 HydrophobicContact CD2-CB 3.75Å; L165-V197 HydrophobicContact CD2-CG2 4.06Å
166C96.3Very high93Very high1 Ų135.2 Ų35.21%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-117107.6-178.8-58.90000110.6A169 V197 L198 I199C166-A169 HydrophobicContact CB-CB 3.99Å; C166-V197 PolarHBondContact N-O 2.73Å; C166-L198 HydrophobicContact CB-CB 3.67Å; C166-L198 WeakPolarHBondContact O-CA 3.23Å; C166-I199 WeakPolarHBondContact O-CG1 3.36Å; C166-I199 PolarHBondContact O-N 2.89Å
167D94.7Very high92.6Very high5 Ų535.6 Ų35.63%0.02721%0.206CC..EExtended strand (participates in β ladder)trans-92.397.1176.4-167.32.2000110.2S47 M88 I89 F90 Q91 A169 I199S47-D167 PolarHBondContact OG-OD1 2.92Å; M88-D167 HydrophobicContact CE-CB 4.26Å; I89-D167 PolarHBondContact O-N 3.12Å; F90-D167 CarbonylContact C-O 3.6Å; Q91-D167 VanDerWaalsContact CA-O 3.28Å; Q91-D167 WeakPolarHBondContact CA-O 3.46Å; Q91-D167 PolarHBondContact N-O 3.21Å; D167-A169 PolarHBondContact O-N 3.07Å; D167-A169 VanDerWaalsContact O-N 3.17Å; D167-I199 HydrophobicContact CB-CD1 4.3Å; D167-I199 HydrophobicContact CB-CG1 4.42Å; D167-I199 WeakPolarHBondContact OD1-CD1 3.38Å
168E90.6Very high92.3Very high21 Ų2136 Ų3610%0.09821%0.208CC..SBendtrans4844.8179.5-60.6-162.1171.400113.7K46 Q91 T170 S171 I199 H201K46-E168 IonicContact NZ-OE1 2.8Å; Q91-E168 HydrophobicContact CB-CB 4.37Å; Q91-E168 HydrophobicContact CG-CB 4.08Å; Q91-E168 PolarHBondContact NE2-OE2 3.2Å; E168-T170 PolarHBondContact O-N 2.83Å; E168-S171 PolarHBondContact O-N 3.06Å; E168-S171 VanDerWaalsContact O-N 3.12Å; E168-S171 PolarHBondContact O-OG 3.46Å; E168-I199 WeakPolarHBondContact CA-O 3.24Å; E168-I199 PolarHBondContact N-O 3.23Å; E168-I199 VanDerWaalsContact N-O 3.09Å; E168-H201 IonicContact OE1-ND1 3.04Å; E168-H201 IonicContact OE2-ND1 3.81Å
169A87.7Confident92.1Very high11 Ų1138.3 Ų38.39%0.09122%0.219CC..THydrogen-bonded Turntrans-58.9-14.4-169.400000115.6I89 Q149 C166 D167I89-A169 HydrophobicContact CG2-CB 3.98Å; Q149-A169 WeakPolarHBondContact CG-O 3.44Å; Q149-A169 VanDerWaalsContact NE2-CB 3.33Å; Q149-A169 PolarHBondContact NE2-O 2.9Å; C166-A169 HydrophobicContact CB-CB 3.99Å; D167-A169 PolarHBondContact O-N 3.07Å; D167-A169 VanDerWaalsContact O-N 3.17Å
170T90.3Very high91.9Very high6 Ų639.6 Ų39.64%0.03722%0.223CC..THydrogen-bonded Turntrans-117.4-7.9-178.553.70000113.7E168 A172 L173 T178 V181 L182E168-T170 PolarHBondContact O-N 2.83Å; T170-A172 PolarHBondContact O-N 3.02Å; T170-L173 WeakPolarHBondContact O-CB 3.37Å; T170-L173 PolarHBondContact O-N 3.11Å; T170-T178 HydrophobicContact CG2-CG2 3.88Å; T170-T178 PolarHBondContact O-OG1 3.35Å; T170-V181 HydrophobicContact CG2-CB 4.45Å; T170-V181 HydrophobicContact CG2-CG1 4.08Å; T170-L182 HydrophobicContact CG2-CD2 3.88Å; T170-L182 HydrophobicContact CG2-CG 4.15Å
171S86.8Confident91.8Very high41 Ų4134.7 Ų34.729%0.28720%0.197SC..THydrogen-bonded Turntrans-61.1-21.8-170.559.30000115.6Q91 E168Q91-S171 WeakPolarHBondContact CG-OG 3.34Å; Q91-S171 PolarHBondContact NE2-OG 2.87Å; E168-S171 PolarHBondContact O-N 3.06Å; E168-S171 VanDerWaalsContact O-N 3.12Å; E168-S171 PolarHBondContact O-OG 3.46Å
172A85.3Confident91.8Very high61 Ų6134.2 Ų34.250%0.50419%0.194SC..THydrogen-bonded Turntrans-104.515.1-178.700000113.4T170T170-A172 PolarHBondContact O-N 3.02Å
173L89.5Confident91.7Very high24 Ų2435.5 Ų35.513%0.12620%0.197CC..SBendtrans-114.5150.4-174.6-52.3178.8000110.3F93 Q149 T170 T177 V181F93-L173 HydrophobicContact CE1-CD2 4.18Å; F93-L173 HydrophobicContact CZ-CD2 4.2Å; Q149-L173 HydrophobicContact CB-CD1 4.29Å; Q149-L173 HydrophobicContact CG-CD1 4.22Å; T170-L173 WeakPolarHBondContact O-CB 3.37Å; T170-L173 PolarHBondContact O-N 3.11Å; L173-T177 HydrophobicContact CB-CG2 4.15Å; L173-T177 HydrophobicContact CD1-CG2 4.12Å; L173-T177 HydrophobicContact CD2-CG2 4.22Å; L173-T177 HydrophobicContact CG-CG2 4.39Å; L173-V181 HydrophobicContact CD1-CB 4.36Å; L173-V181 HydrophobicContact CD1-CG2 3.86Å
174D89.7Confident91.6Very high81 Ų8136.1 Ų36.143%0.43320%0.201SC..  trans-65.3161.3167.557.690.1000111.1Q176 T177 T178D174-Q176 PolarHBondContact O-N 3.29Å; D174-T177 PolarHBondContact O-N 3.4Å; D174-T177 VanDerWaalsContact OD1-CB 3.3Å; D174-T177 WeakPolarHBondContact OD1-CB 3.4Å; D174-T177 PolarHBondContact OD1-N 2.91Å; D174-T177 PolarHBondContact OD1-OG1 2.95Å; D174-T177 WeakPolarHBondContact OD2-CB 3.25Å; D174-T177 PolarHBondContact OD2-OG1 3.32Å; D174-T178 WeakPolarHBondContact O-CB 3.45Å; D174-T178 PolarHBondContact O-N 2.83Å; D174-T178 PolarHBondContact O-OG1 2.84Å; D174-T178 VanDerWaalsContact O-OG1 3.11Å
175P86.1Confident91.6Very high99 Ų9936.2 Ų36.264%0.64320%0.201SC*.Hα-helixtrans-54.3-50.7-176.8-28.936.3000113.6T177 T178 E179P175-T177 VanDerWaalsContact C-N 3.33Å; P175-T177 PolarHBondContact O-N 3.01Å; P175-T178 WeakPolarHBondContact O-CA 3.37Å; P175-T178 VanDerWaalsContact O-CB 3.23Å; P175-T178 WeakPolarHBondContact O-CB 3.42Å; P175-T178 PolarHBondContact O-N 3.08Å; P175-E179 VanDerWaalsContact C-OE2 3.23Å; P175-E179 PolarHBondContact O-N 2.91Å
176Q88.3Confident91.4Very high138 Ų13837.8 Ų37.865%0.64521%0.214SC*.Hα-helixtrans-57.9-46.5-179.1-177.3-178.1-700111.5D174 T178 E179 E180D174-Q176 PolarHBondContact O-N 3.29Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 3.45Å; Q176-E179 PolarHBondContact O-N 3.18Å; Q176-E180 PolarHBondContact O-N 3.26Å
177T90.2Very high91.4Very high21 Ų2142.6 Ų42.613%0.12924%0.24CC..Hα-helixtrans-66-35177.2-60.60000112.4L173 D174 P175 E180 V181L173-T177 HydrophobicContact CB-CG2 4.15Å; L173-T177 HydrophobicContact CD1-CG2 4.12Å; L173-T177 HydrophobicContact CD2-CG2 4.22Å; L173-T177 HydrophobicContact CG-CG2 4.39Å; D174-T177 PolarHBondContact O-N 3.4Å; D174-T177 VanDerWaalsContact OD1-CB 3.3Å; D174-T177 WeakPolarHBondContact OD1-CB 3.4Å; D174-T177 PolarHBondContact OD1-N 2.91Å; D174-T177 PolarHBondContact OD1-OG1 2.95Å; D174-T177 WeakPolarHBondContact OD2-CB 3.25Å; D174-T177 PolarHBondContact OD2-OG1 3.32Å; P175-T177 VanDerWaalsContact C-N 3.33Å; P175-T177 PolarHBondContact O-N 3.01Å; T177-E180 PolarHBondContact O-N 3.17Å; T177-V181 WeakPolarHBondContact O-CG2 3.15Å; T177-V181 PolarHBondContact O-N 3.45Å; T177-V181 VanDerWaalsContact O-N 3.08Å
178T91.2Very high91.4Very high10 Ų1042.4 Ų42.46%0.06124%0.239CC..Hα-helixtrans-59.6-48.4172.1-71.20000110.5T170 D174 P175 Q176 E180 V181 L182T170-T178 HydrophobicContact CG2-CG2 3.88Å; T170-T178 PolarHBondContact O-OG1 3.35Å; D174-T178 WeakPolarHBondContact O-CB 3.45Å; D174-T178 PolarHBondContact O-N 2.83Å; D174-T178 PolarHBondContact O-OG1 2.84Å; D174-T178 VanDerWaalsContact O-OG1 3.11Å; P175-T178 WeakPolarHBondContact O-CA 3.37Å; P175-T178 VanDerWaalsContact O-CB 3.23Å; P175-T178 WeakPolarHBondContact O-CB 3.42Å; P175-T178 PolarHBondContact O-N 3.08Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 3.45Å; T178-E180 VanDerWaalsContact C-N 3.33Å; T178-E180 PolarHBondContact O-N 3.02Å; T178-V181 PolarHBondContact O-N 3.29Å; T178-L182 HydrophobicContact CG2-CD1 3.92Å; T178-L182 HydrophobicContact CG2-CG 4.32Å; T178-L182 VanDerWaalsContact O-CG 3.28Å; T178-L182 WeakPolarHBondContact O-CG 3.34Å; T178-L182 PolarHBondContact O-N 3.41Å
179E91.5Very high91.6Very high49 Ų4942.9 Ų42.923%0.22924%0.242CC..Hα-helixtrans-56.7-45.1178.1-96.395.6-149.400112.7P175 Q176 L182 E183 K208P175-E179 VanDerWaalsContact C-OE2 3.23Å; P175-E179 PolarHBondContact O-N 2.91Å; Q176-E179 PolarHBondContact O-N 3.18Å; E179-L182 PolarHBondContact O-N 3.2Å; E179-E183 WeakPolarHBondContact O-CG 3.23Å; E179-E183 PolarHBondContact O-N 3.36Å; E179-K208 HydrophobicContact CG-CD 4.46Å; E179-K208 PolarHBondContact O-NZ 2.98Å
180E93Very high91.9Very high73 Ų7351 Ų5134%0.34128%0.275SS..Hα-helixtrans-63.1-40.8177.7-69.1-178.4-17200113R150 Q176 T177 T178 L184R150-E180 IonicContact CZ-OE2 3.71Å; R150-E180 IonicContact NH2-OE2 3.28Å; R150-E180 PolarHBondContact NH2-OE2 2.93Å; Q176-E180 PolarHBondContact O-N 3.26Å; T177-E180 PolarHBondContact O-N 3.17Å; T178-E180 VanDerWaalsContact C-N 3.33Å; T178-E180 PolarHBondContact O-N 3.02Å; E180-L184 WeakPolarHBondContact O-CB 3.35Å; E180-L184 PolarHBondContact O-N 2.8Å
181V93.7Very high92.1Very high0 Ų058 Ų580%031%0.305CS..Hα-helixtrans-68.6-39.9179.1167.80000111Q149 I153 T170 L173 T177 T178 L184 L185Q149-V181 HydrophobicContact CB-CG2 4.39Å; Q149-V181 HydrophobicContact CG-CG1 4.06Å; Q149-V181 HydrophobicContact CG-CG2 4.26Å; I153-V181 HydrophobicContact CD1-CG1 4.07Å; T170-V181 HydrophobicContact CG2-CB 4.45Å; T170-V181 HydrophobicContact CG2-CG1 4.08Å; L173-V181 HydrophobicContact CD1-CB 4.36Å; L173-V181 HydrophobicContact CD1-CG2 3.86Å; T177-V181 WeakPolarHBondContact O-CG2 3.15Å; T177-V181 PolarHBondContact O-N 3.45Å; T177-V181 VanDerWaalsContact O-N 3.08Å; T178-V181 PolarHBondContact O-N 3.29Å; V181-L184 WeakPolarHBondContact O-CB 3.45Å; V181-L184 PolarHBondContact O-N 2.87Å; V181-L185 HydrophobicContact CG1-CD1 4.49Å; V181-L185 WeakPolarHBondContact O-CG 3.44Å; V181-L185 PolarHBondContact O-N 3.37Å
182L94.6Very high92.3Very high2 Ų260.5 Ų60.51%0.0132%0.315CS..Hα-helixtrans-64.4-43.2175.8-66177.2000111.5T170 T178 E179 L184 L185 A186 V205 K208 I209T170-L182 HydrophobicContact CG2-CD2 3.88Å; T170-L182 HydrophobicContact CG2-CG 4.15Å; T178-L182 HydrophobicContact CG2-CD1 3.92Å; T178-L182 HydrophobicContact CG2-CG 4.32Å; T178-L182 VanDerWaalsContact O-CG 3.28Å; T178-L182 WeakPolarHBondContact O-CG 3.34Å; T178-L182 PolarHBondContact O-N 3.41Å; E179-L182 PolarHBondContact O-N 3.2Å; L182-L184 VanDerWaalsContact C-N 3.31Å; L182-L184 PolarHBondContact O-N 3.17Å; L182-L185 PolarHBondContact O-N 3.18Å; L182-A186 PolarHBondContact O-N 2.79Å; L182-V205 HydrophobicContact CD1-CB 4.45Å; L182-V205 HydrophobicContact CD1-CG1 4.43Å; L182-V205 HydrophobicContact CD1-CG2 4.15Å; L182-V205 HydrophobicContact CD2-CG1 3.7Å; L182-K208 HydrophobicContact CB-CD 4.23Å; L182-K208 HydrophobicContact CD1-CB 4.43Å; L182-K208 HydrophobicContact CD1-CD 3.97Å; L182-I209 HydrophobicContact CB-CG2 3.91Å; L182-I209 HydrophobicContact CD2-CD1 3.63Å; L182-I209 HydrophobicContact CD2-CG1 4.26Å
183E94.3Very high92.7Very high100 Ų10059 Ų5947%0.46731%0.305SS..Hα-helixtrans-61.3-40.2174.5-78.2166.6-151.500112.2E179 A186 N187 K208E179-E183 WeakPolarHBondContact O-CG 3.23Å; E179-E183 PolarHBondContact O-N 3.36Å; E183-A186 PolarHBondContact O-N 2.85Å; E183-N187 WeakPolarHBondContact O-CB 3.3Å; E183-N187 VanDerWaalsContact O-CG 3.23Å; E183-N187 PolarHBondContact O-N 3.02Å; E183-N187 PolarHBondContact O-ND2 3.15Å; E183-N187 VanDerWaalsContact O-ND2 3.09Å; E183-K208 IonicContact OE1-NZ 3.66Å; E183-K208 PolarHBondContact OE1-NZ 3.41Å
184L95.4Very high93Very high15 Ų1558.1 Ų58.18%0.07930%0.301CS..Hα-helixtrans-59.8-47173.3174.760.3000111.6V130 R150 I153 E180 V181 L182 A186 N187 I188V130-L184 HydrophobicContact CB-CD2 3.99Å; V130-L184 HydrophobicContact CG1-CD2 4.11Å; R150-L184 HydrophobicContact CG-CD2 3.84Å; I153-L184 HydrophobicContact CD1-CD2 3.81Å; I153-L184 HydrophobicContact CD1-CG 4.49Å; E180-L184 WeakPolarHBondContact O-CB 3.35Å; E180-L184 PolarHBondContact O-N 2.8Å; V181-L184 WeakPolarHBondContact O-CB 3.45Å; V181-L184 PolarHBondContact O-N 2.87Å; L182-L184 VanDerWaalsContact C-N 3.31Å; L182-L184 PolarHBondContact O-N 3.17Å; L184-A186 PolarHBondContact O-N 3.46Å; L184-N187 PolarHBondContact O-N 3.11Å; L184-I188 HydrophobicContact CD1-CD1 3.77Å; L184-I188 HydrophobicContact CD1-CG1 4.14Å; L184-I188 HydrophobicContact CG-CD1 3.76Å; L184-I188 WeakPolarHBondContact O-CD1 3.47Å; L184-I188 VanDerWaalsContact O-CG1 3.26Å; L184-I188 WeakPolarHBondContact O-CG1 3.28Å; L184-I188 PolarHBondContact O-N 3.37Å
185L95.8Very high93.4Very high3 Ų354.3 Ų54.32%0.01628%0.281CS..Hα-helixtrans-61.6-43.8177.7-71.3173.1000112.1I89 I153 L164 V181 L182 N187 I188 N189 I196 I209I89-L185 HydrophobicContact CD1-CD2 4.23Å; I153-L185 HydrophobicContact CD1-CD2 4.26Å; I153-L185 HydrophobicContact CG1-CD2 4.4Å; L164-L185 HydrophobicContact CD2-CD2 3.82Å; V181-L185 HydrophobicContact CG1-CD1 4.49Å; V181-L185 WeakPolarHBondContact O-CG 3.44Å; V181-L185 PolarHBondContact O-N 3.37Å; L182-L185 PolarHBondContact O-N 3.18Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 2.82Å; L185-I188 PolarHBondContact O-N 2.88Å; L185-N189 PolarHBondContact O-N 2.96Å; L185-I196 HydrophobicContact CB-CD1 4.33Å; L185-I196 WeakPolarHBondContact O-CD1 3.37Å; L185-I209 HydrophobicContact CB-CD1 4.35Å; L185-I209 HydrophobicContact CD1-CD1 4.37Å
186A94.9Very high93.9Very high33 Ų3349.6 Ų49.627%0.27325%0.25SC..Hα-helixtrans-61.1-42.8176.100000111.8L182 E183 L184 N189 K190 I209L182-A186 PolarHBondContact O-N 2.79Å; E183-A186 PolarHBondContact O-N 2.85Å; L184-A186 PolarHBondContact O-N 3.46Å; A186-N189 PolarHBondContact O-N 2.94Å; A186-K190 WeakPolarHBondContact O-CB 3.42Å; A186-K190 PolarHBondContact O-N 2.91Å; A186-I209 HydrophobicContact CB-CG2 4.02Å
187N95.1Very high94.4Very high102 Ų10243 Ų4355%0.54522%0.219SC..Hα-helixtrans-64.9-39.5176.3-75.1-33.7000112.3E183 L184 L185 K190 K191E183-N187 WeakPolarHBondContact O-CB 3.3Å; E183-N187 VanDerWaalsContact O-CG 3.23Å; E183-N187 PolarHBondContact O-N 3.02Å; E183-N187 PolarHBondContact O-ND2 3.15Å; E183-N187 VanDerWaalsContact O-ND2 3.09Å; L184-N187 PolarHBondContact O-N 3.11Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 2.82Å; N187-K190 PolarHBondContact O-N 3.04Å; N187-K191 WeakPolarHBondContact O-CB 3.23Å; N187-K191 PolarHBondContact O-N 3.28Å
188I94.5Very high94.7Very high1 Ų142.3 Ų42.31%0.00522%0.215CC..Hα-helixtrans-62.8-48.9175.7-72.9160.1000110.8L129 I153 L157 L184 L185 K190 K191 L192 L194L129-I188 HydrophobicContact CD2-CG1 4.43Å; I153-I188 HydrophobicContact CG2-CD1 3.53Å; L157-I188 HydrophobicContact CD1-CD1 3.91Å; L157-I188 HydrophobicContact CD1-CG1 4.33Å; L157-I188 HydrophobicContact CD1-CG2 4.08Å; L157-I188 HydrophobicContact CD2-CG2 4.23Å; L184-I188 HydrophobicContact CD1-CD1 3.77Å; L184-I188 HydrophobicContact CD1-CG1 4.14Å; L184-I188 HydrophobicContact CG-CD1 3.76Å; L184-I188 WeakPolarHBondContact O-CD1 3.47Å; L184-I188 VanDerWaalsContact O-CG1 3.26Å; L184-I188 WeakPolarHBondContact O-CG1 3.28Å; L184-I188 PolarHBondContact O-N 3.37Å; L185-I188 PolarHBondContact O-N 2.88Å; I188-K190 VanDerWaalsContact C-N 3.35Å; I188-K190 PolarHBondContact O-N 2.75Å; I188-K191 PolarHBondContact O-N 2.88Å; I188-L192 HydrophobicContact CG2-CD1 4.01Å; I188-L192 WeakPolarHBondContact O-CB 3.41Å; I188-L192 PolarHBondContact O-N 2.89Å; I188-L194 HydrophobicContact CG2-CD2 3.67Å
189N95.5Very high95Very high31 Ų3142 Ų4217%0.16621%0.212CC..Hα-helixtrans-55.4-50.2175.4166.6-94.3000110.9K33 V35 L185 A186 K191 G193 L194 I196K33-N189 PolarHBondContact O-ND2 2.8Å; V35-N189 HydrophobicContact CG2-CB 3.88Å; V35-N189 VanDerWaalsContact CG2-CG 3.41Å; V35-N189 WeakPolarHBondContact CG2-ND2 3.39Å; L185-N189 PolarHBondContact O-N 2.96Å; A186-N189 PolarHBondContact O-N 2.94Å; N189-K191 PolarHBondContact O-N 2.78Å; N189-G193 VanDerWaalsContact O-CA 3.27Å; N189-G193 WeakPolarHBondContact O-CA 3.28Å; N189-G193 PolarHBondContact O-N 2.97Å; N189-L194 PolarHBondContact ND2-O 2.82Å; N189-I196 HydrophobicContact CB-CD1 3.79Å; N189-I196 HydrophobicContact CB-CG1 4.34Å
190K94.4Very high95.1Very high181 Ų18139.8 Ų39.879%0.78720%0.202SC*.Hα-helixtrans-62.6-40.7-179.7-174.3176.9179.71790113A186 N187 I188A186-K190 WeakPolarHBondContact O-CB 3.42Å; A186-K190 PolarHBondContact O-N 2.91Å; N187-K190 PolarHBondContact O-N 3.04Å; I188-K190 VanDerWaalsContact C-N 3.35Å; I188-K190 PolarHBondContact O-N 2.75Å
191K93.5Very high95Very high153 Ų15339.9 Ų39.967%0.66520%0.203SC*.Hα-helixtrans-77.8-38.7-175.6-173.7176.4179.5179.80112.8L129 N187 I188 N189L129-K191 HydrophobicContact CD1-CD 4Å; N187-K191 WeakPolarHBondContact O-CB 3.23Å; N187-K191 PolarHBondContact O-N 3.28Å; I188-K191 PolarHBondContact O-N 2.88Å; N189-K191 PolarHBondContact O-N 2.78Å
192L92.8Very high94.8Very high93 Ų9343.4 Ų43.449%0.48722%0.219SC..Hα-helixtrans-102.9-13.9-172.9-57-174.7000113.5I188 L194I188-L192 HydrophobicContact CG2-CD1 4.01Å; I188-L192 WeakPolarHBondContact O-CB 3.41Å; I188-L192 PolarHBondContact O-N 2.89Å; L192-L194 HydrophobicContact CB-CB 4.27Å; L192-L194 PolarHBondContact O-N 2.75Å
193G93.5Very high94.5Very high29 Ų2943.6 Ų43.630%0.29922%0.22SC..  trans65.530.9-170.500000112.4K33 N189K33-G193 WeakPolarHBondContact CG-O 3.43Å; N189-G193 VanDerWaalsContact O-CA 3.27Å; N189-G193 WeakPolarHBondContact O-CA 3.28Å; N189-G193 PolarHBondContact O-N 2.97Å
194L95.3Very high94.2Very high6 Ų640.8 Ų40.83%0.03121%0.208CC..  trans-79.5130-175.8-176.769.6000110.8L157 P161 L164 I188 N189 L192 I196L157-L194 HydrophobicContact CD2-CD2 3.49Å; L157-L194 VanDerWaalsContact CD2-CD2 3.49Å; P161-L194 HydrophobicContact CG-CD1 4.31Å; P161-L194 WeakPolarHBondContact O-CD1 3.18Å; L164-L194 HydrophobicContact CB-CD2 3.65Å; L164-L194 HydrophobicContact CB-CG 4.1Å; L164-L194 HydrophobicContact CD2-CD2 3.91Å; L164-L194 HydrophobicContact CG-CD2 4.38Å; I188-L194 HydrophobicContact CG2-CD2 3.67Å; N189-L194 PolarHBondContact ND2-O 2.82Å; L192-L194 HydrophobicContact CB-CB 4.27Å; L192-L194 PolarHBondContact O-N 2.75Å; L194-I196 HydrophobicContact CD2-CG1 4.45Å; L194-I196 HydrophobicContact CG-CG1 4.46Å; L194-I196 PolarHBondContact O-N 3.45Å
195T97.6Very high94.1Very high2 Ų240.2 Ų40.21%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-74.6127171-56.70000109.6L3 I30 K33 D34 D162 I163 L164L3-T195 HydrophobicContact CD2-CG2 3.89Å; L3-T195 WeakPolarHBondContact CD2-OG1 3.37Å; I30-T195 HydrophobicContact CG2-CG2 4Å; K33-T195 PolarHBondContact N-OG1 2.93Å; D34-T195 WeakPolarHBondContact O-CA 3.46Å; D162-T195 PolarHBondContact O-N 3.44Å; I163-T195 CarbonylContact C-O 3.53Å; I163-T195 WeakPolarHBondContact CA-O 3.28Å; L164-T195 PolarHBondContact N-O 2.9Å
196I97.7Very high94Very high0 Ų040.1 Ų40.10%021%0.205CC..EExtended strand (participates in β ladder)trans-114127.6179.8-56.9-174.4000108.8D34 V35 Y36 L164 L185 N189 L194 L198D34-I196 PolarHBondContact O-N 3.26Å; V35-I196 CarbonylContact C-O 3.54Å; V35-I196 WeakPolarHBondContact CA-O 3.45Å; V35-I196 HydrophobicContact CG1-CB 4.2Å; V35-I196 HydrophobicContact CG1-CG2 4.37Å; V35-I196 HydrophobicContact CG2-CB 4.41Å; Y36-I196 PolarHBondContact N-O 2.88Å; L164-I196 HydrophobicContact CB-CG1 4.3Å; L164-I196 HydrophobicContact CD2-CD1 4.36Å; L164-I196 HydrophobicContact CD2-CG1 4.43Å; L164-I196 CarbonylContact O-C 3.55Å; L164-I196 WeakPolarHBondContact O-CA 3.49Å; L185-I196 HydrophobicContact CB-CD1 4.33Å; L185-I196 WeakPolarHBondContact O-CD1 3.37Å; N189-I196 HydrophobicContact CB-CD1 3.79Å; N189-I196 HydrophobicContact CB-CG1 4.34Å; L194-I196 HydrophobicContact CD2-CG1 4.45Å; L194-I196 HydrophobicContact CG-CG1 4.46Å; L194-I196 PolarHBondContact O-N 3.45Å; I196-L198 HydrophobicContact CG2-CB 4.48Å; I196-L198 HydrophobicContact CG2-CD2 4.31Å
197V97.9Very high93.8Very high0 Ų043.1 Ų43.10%021%0.209CC..EExtended strand (participates in β ladder)trans-115114.1168.5-172.80000107.6I4 I30 Y36 I38 L53 L164 L165 C166I4-V197 HydrophobicContact CD1-CG2 3.78Å; I30-V197 HydrophobicContact CD1-CG1 4.07Å; I30-V197 HydrophobicContact CD1-CG2 3.62Å; Y36-V197 WeakPolarHBondContact O-CA 3.43Å; I38-V197 HydrophobicContact CD1-CG1 3.93Å; I38-V197 HydrophobicContact CG1-CG1 4.32Å; L53-V197 HydrophobicContact CD1-CG1 4.21Å; L164-V197 PolarHBondContact O-N 3.27Å; L165-V197 CarbonylContact C-O 3.58Å; L165-V197 WeakPolarHBondContact CA-O 3.35Å; L165-V197 HydrophobicContact CD2-CB 3.75Å; L165-V197 HydrophobicContact CD2-CG2 4.06Å; C166-V197 PolarHBondContact N-O 2.73Å
198L96.7Very high93.6Very high6 Ų641.9 Ų41.93%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-118.8140.5-178.370.197.7000111.5V35 Y36 G37 I38 C166 I196 T200 V205 I206 I209 C210V35-L198 HydrophobicContact CG1-CD2 3.87Å; Y36-L198 PolarHBondContact O-N 2.9Å; G37-L198 CarbonylContact C-O 3.58Å; G37-L198 WeakPolarHBondContact CA-O 3.47Å; I38-L198 PolarHBondContact N-O 2.81Å; C166-L198 HydrophobicContact CB-CB 3.67Å; C166-L198 WeakPolarHBondContact O-CA 3.23Å; I196-L198 HydrophobicContact CG2-CB 4.48Å; I196-L198 HydrophobicContact CG2-CD2 4.31Å; L198-T200 HydrophobicContact CD1-CG2 4.21Å; L198-V205 HydrophobicContact CD1-CG1 3.73Å; L198-I206 HydrophobicContact CD1-CD1 3.73Å; L198-I209 HydrophobicContact CD2-CD1 3.44Å; L198-I209 VanDerWaalsContact CD2-CD1 3.44Å; L198-I209 HydrophobicContact CD2-CG1 3.96Å; L198-C210 VanDerWaalsContact CD2-SG 3.54Å
199I96.5Very high93.6Very high2 Ų242.7 Ų42.71%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-116.3138.3176.466.2169.4000110.5I38 K46 V50 C166 D167 E168I38-I199 HydrophobicContact CB-CG2 3.77Å; I38-I199 HydrophobicContact CD1-CG2 4.17Å; I38-I199 HydrophobicContact CG1-CG2 4.19Å; I38-I199 VanDerWaalsContact O-CA 3.28Å; I38-I199 WeakPolarHBondContact O-CA 3.4Å; K46-I199 HydrophobicContact CB-CB 4.07Å; K46-I199 HydrophobicContact CB-CD1 3.84Å; K46-I199 HydrophobicContact CB-CG2 4.37Å; V50-I199 HydrophobicContact CB-CD1 4.23Å; V50-I199 HydrophobicContact CG2-CB 4.2Å; V50-I199 HydrophobicContact CG2-CD1 3.56Å; V50-I199 HydrophobicContact CG2-CG1 3.9Å; V50-I199 HydrophobicContact CG2-CG2 3.23Å; C166-I199 WeakPolarHBondContact O-CG1 3.36Å; C166-I199 PolarHBondContact O-N 2.89Å; D167-I199 HydrophobicContact CB-CD1 4.3Å; D167-I199 HydrophobicContact CB-CG1 4.42Å; D167-I199 WeakPolarHBondContact OD1-CD1 3.38Å; E168-I199 WeakPolarHBondContact CA-O 3.24Å; E168-I199 PolarHBondContact N-O 3.23Å; E168-I199 VanDerWaalsContact N-O 3.09Å
200T94.2Very high93.6Very high3 Ų341.8 Ų41.82%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-155.1165.2-175.3-173.80000110.5I38 V39 G40 K46 L198 E202 V205 I206I38-T200 PolarHBondContact O-N 3.35Å; I38-T200 VanDerWaalsContact O-N 3.11Å; V39-T200 WeakPolarHBondContact CA-O 3.26Å; V39-T200 HydrophobicContact CG2-CG2 4.42Å; G40-T200 PolarHBondContact N-O 2.96Å; K46-T200 WeakPolarHBondContact CD-O 3.13Å; K46-T200 WeakPolarHBondContact CE-O 3.36Å; L198-T200 HydrophobicContact CD1-CG2 4.21Å; T200-E202 VanDerWaalsContact CG2-O 3.28Å; T200-E202 WeakPolarHBondContact CG2-O 3.19Å; T200-E202 PolarHBondContact OG1-N 3.36Å; T200-V205 HydrophobicContact CG2-CB 4.17Å; T200-V205 HydrophobicContact CG2-CG1 4.21Å; T200-I206 HydrophobicContact CG2-CD1 3.42Å; T200-I206 VanDerWaalsContact CG2-CD1 3.42Å; T200-I206 HydrophobicContact CG2-CG1 3.84Å
201H91.3Very high93.7Very high76 Ų7636.5 Ų36.535%0.35218%0.179SC..SBendtrans-105.70.9165.560.2-86.9000111.7E168 F242E168-H201 IonicContact OE1-ND1 3.04Å; E168-H201 IonicContact OE2-ND1 3.81Å; H201-F242 VanDerWaalsContact O-CE1 3.31Å; H201-F242 WeakPolarHBondContact O-CE1 3.26Å
202E89.2Confident93.9Very high73 Ų7332 Ų3234%0.34116%0.16SC..  trans-108.1120.4-175-58.3178.6118.400110.5T200 N204 V205T200-E202 VanDerWaalsContact CG2-O 3.28Å; T200-E202 WeakPolarHBondContact CG2-O 3.19Å; T200-E202 PolarHBondContact OG1-N 3.36Å; E202-N204 VanDerWaalsContact C-N 3.35Å; E202-V205 HydrophobicContact CB-CB 4.49Å; E202-V205 HydrophobicContact CB-CG2 3.94Å; E202-V205 PolarHBondContact O-N 2.8Å
203M89.5Confident94.1Very high7 Ų727.6 Ų27.63%0.03414%0.136CC..Hα-helixtrans-73.6-27.5-177.7-171.159.580.200112.4V39 V205 I206 R207 F231 F242 D246V39-M203 HydrophobicContact CB-CE 4.46Å; V39-M203 HydrophobicContact CG1-CE 3.68Å; V39-M203 HydrophobicContact CG1-SD 4.48Å; V39-M203 HydrophobicContact CG2-CE 4.13Å; M203-V205 VanDerWaalsContact C-N 3.27Å; M203-V205 PolarHBondContact O-N 3.01Å; M203-I206 WeakPolarHBondContact O-CB 3.06Å; M203-I206 PolarHBondContact O-N 3.24Å; M203-I206 VanDerWaalsContact O-N 3.09Å; M203-I206 HydrophobicContact SD-CB 3.98Å; M203-I206 HydrophobicContact SD-CG1 4.16Å; M203-I206 HydrophobicContact SD-CG2 4.26Å; M203-R207 PolarHBondContact O-N 3.22Å; M203-F231 HydrophobicContact CG-CE1 3.7Å; M203-F231 HydrophobicContact CG-CE2 4.02Å; M203-F231 HydrophobicContact CG-CZ 3.28Å; M203-F231 HydrophobicContact SD-CD2 4.48Å; M203-F231 HydrophobicContact SD-CE1 4.23Å; M203-F231 HydrophobicContact SD-CE2 3.4Å; M203-F231 WeakPolarHBondContact SD-CE2 3.45Å; M203-F231 HydrophobicContact SD-CZ 3.27Å; M203-F231 WeakPolarHBondContact SD-CZ 3.48Å; M203-F242 HydrophobicContact CB-CB 4.24Å; M203-F242 HydrophobicContact CE-CB 3.38Å; M203-F242 HydrophobicContact CE-CD2 4.47Å; M203-F242 HydrophobicContact CE-CG 3.99Å; M203-F242 HydrophobicContact CG-CB 4.37Å; M203-D246 HydrophobicContact CB-CB 3.89Å; M203-D246 HydrophobicContact CG-CB 4.11Å
204N87.9Confident94.3Very high40 Ų4026.2 Ų26.221%0.21412%0.122CC..Hα-helixtrans-55.4-41.2172.6-177.941.3000112.5E202 I206 R207 K208 D246E202-N204 VanDerWaalsContact C-N 3.35Å; N204-I206 VanDerWaalsContact C-N 3.34Å; N204-I206 PolarHBondContact O-N 2.91Å; N204-R207 PolarHBondContact O-N 2.77Å; N204-R207 PolarHBondContact OD1-NH2 2.94Å; N204-K208 WeakPolarHBondContact O-CB 3.5Å; N204-K208 PolarHBondContact O-N 2.99Å; N204-D246 WeakPolarHBondContact CA-OD1 3.4Å; N204-D246 VanDerWaalsContact CB-OD1 3.22Å; N204-D246 WeakPolarHBondContact CB-OD1 3.47Å; N204-D246 PolarHBondContact N-OD1 3.42Å; N204-D246 VanDerWaalsContact N-OD1 3.17Å
205V92.5Very high94.4Very high4 Ų425.9 Ų25.92%0.02412%0.121CC..Hα-helixtrans-61-45.2177.9171.10000110.5L182 L198 T200 E202 M203 K208 I209L182-V205 HydrophobicContact CD1-CB 4.45Å; L182-V205 HydrophobicContact CD1-CG1 4.43Å; L182-V205 HydrophobicContact CD1-CG2 4.15Å; L182-V205 HydrophobicContact CD2-CG1 3.7Å; L198-V205 HydrophobicContact CD1-CG1 3.73Å; T200-V205 HydrophobicContact CG2-CB 4.17Å; T200-V205 HydrophobicContact CG2-CG1 4.21Å; E202-V205 HydrophobicContact CB-CB 4.49Å; E202-V205 HydrophobicContact CB-CG2 3.94Å; E202-V205 PolarHBondContact O-N 2.8Å; M203-V205 VanDerWaalsContact C-N 3.27Å; M203-V205 PolarHBondContact O-N 3.01Å; V205-K208 PolarHBondContact O-N 3.21Å; V205-I209 WeakPolarHBondContact O-CG1 3.25Å; V205-I209 PolarHBondContact O-N 3.33Å
206I94.3Very high94.4Very high0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-61.2-50.9177.1-57.8-48000110.3V39 L198 T200 M203 N204 K208 I209 C210 V213 V227 F231V39-I206 HydrophobicContact CB-CD1 4.47Å; V39-I206 HydrophobicContact CB-CG1 4.07Å; V39-I206 HydrophobicContact CG2-CG1 4.42Å; L198-I206 HydrophobicContact CD1-CD1 3.73Å; T200-I206 HydrophobicContact CG2-CD1 3.42Å; T200-I206 VanDerWaalsContact CG2-CD1 3.42Å; T200-I206 HydrophobicContact CG2-CG1 3.84Å; M203-I206 WeakPolarHBondContact O-CB 3.06Å; M203-I206 PolarHBondContact O-N 3.24Å; M203-I206 VanDerWaalsContact O-N 3.09Å; M203-I206 HydrophobicContact SD-CB 3.98Å; M203-I206 HydrophobicContact SD-CG1 4.16Å; M203-I206 HydrophobicContact SD-CG2 4.26Å; N204-I206 VanDerWaalsContact C-N 3.34Å; N204-I206 PolarHBondContact O-N 2.91Å; I206-K208 PolarHBondContact O-N 3.44Å; I206-I209 PolarHBondContact O-N 3.09Å; I206-C210 HydrophobicContact CG2-CB 3.95Å; I206-C210 VanDerWaalsContact O-CB 3.23Å; I206-C210 WeakPolarHBondContact O-CB 2.84Å; I206-C210 PolarHBondContact O-N 2.92Å; I206-V213 HydrophobicContact CG1-CG2 4.41Å; I206-V213 HydrophobicContact CG2-CB 3.76Å; I206-V213 HydrophobicContact CG2-CG1 4.48Å; I206-V213 HydrophobicContact CG2-CG2 3.72Å; I206-V227 HydrophobicContact CG2-CG1 4.39Å; I206-V227 HydrophobicContact CG2-CG2 3.73Å; I206-F231 HydrophobicContact CG2-CE2 4.12Å
207R91.1Very high94.2Very high97 Ų9729.5 Ų29.537%0.36614%0.137SC..Hα-helixtrans-55.8-40.3-179.1-171.7176.356.4-156-7.7112.4M203 N204 F231 D246M203-R207 PolarHBondContact O-N 3.22Å; N204-R207 PolarHBondContact O-N 2.77Å; N204-R207 PolarHBondContact OD1-NH2 2.94Å; R207-F231 HydrophobicContact CB-CE1 3.68Å; R207-F231 HydrophobicContact CB-CZ 3.59Å; R207-F231 HydrophobicContact CG-CD1 4.46Å; R207-F231 HydrophobicContact CG-CE1 3.88Å; R207-F231 HydrophobicContact CG-CZ 4.21Å; R207-D246 IonicContact CZ-OD1 2.8Å; R207-D246 IonicContact CZ-OD2 2.65Å; R207-D246 IonicContact NE-OD2 3.85Å; R207-D246 PolarHBondContact NE-OD2 3.19Å; R207-D246 PolarHBondContact NH1-O 2.9Å; R207-D246 IonicContact NH1-OD1 2.78Å; R207-D246 PolarHBondContact NH1-OD1 3.29Å; R207-D246 IonicContact NH1-OD2 3.88Å; R207-D246 PolarHBondContact NH1-OD2 3.41Å; R207-D246 IonicContact NH2-OD1 2.79Å; R207-D246 PolarHBondContact NH2-OD1 3.5Å; R207-D246 IonicContact NH2-OD2 3.46Å
208K90.1Very high94Very high75 Ų7536.5 Ų36.533%0.32617%0.174SC..Hα-helixtrans-72.3-39-171.6-167.5174-177.2-174.60113.1E179 L182 E183 N204 V205 I206E179-K208 HydrophobicContact CG-CD 4.46Å; E179-K208 PolarHBondContact O-NZ 2.98Å; L182-K208 HydrophobicContact CB-CD 4.23Å; L182-K208 HydrophobicContact CD1-CB 4.43Å; L182-K208 HydrophobicContact CD1-CD 3.97Å; E183-K208 IonicContact OE1-NZ 3.66Å; E183-K208 PolarHBondContact OE1-NZ 3.41Å; N204-K208 WeakPolarHBondContact O-CB 3.5Å; N204-K208 PolarHBondContact O-N 2.99Å; V205-K208 PolarHBondContact O-N 3.21Å; I206-K208 PolarHBondContact O-N 3.44Å
209I93.8Very high93.9Very high19 Ų1936.2 Ų36.210%0.09717%0.173CC..Hα-helixtrans-130.3-18.2-168.863.6164.9000115.6V35 L182 L185 A186 L198 V205 I206V35-I209 WeakPolarHBondContact CB-O 3.35Å; V35-I209 HydrophobicContact CG1-CD1 4.37Å; V35-I209 HydrophobicContact CG1-CG1 4.31Å; V35-I209 VanDerWaalsContact CG1-O 3.24Å; V35-I209 WeakPolarHBondContact CG1-O 3.34Å; L182-I209 HydrophobicContact CB-CG2 3.91Å; L182-I209 HydrophobicContact CD2-CD1 3.63Å; L182-I209 HydrophobicContact CD2-CG1 4.26Å; L185-I209 HydrophobicContact CB-CD1 4.35Å; L185-I209 HydrophobicContact CD1-CD1 4.37Å; A186-I209 HydrophobicContact CB-CG2 4.02Å; L198-I209 HydrophobicContact CD2-CD1 3.44Å; L198-I209 VanDerWaalsContact CD2-CD1 3.44Å; L198-I209 HydrophobicContact CD2-CG1 3.96Å; V205-I209 WeakPolarHBondContact O-CG1 3.25Å; V205-I209 PolarHBondContact O-N 3.33Å; I206-I209 PolarHBondContact O-N 3.09Å
210C96.7Very high94Very high12 Ų1241.2 Ų41.28%0.08120%0.195CC..  trans-83146.4-176.7-65.40000111.9V35 G37 L198 I206 V227V35-C210 CarbonylContact O-C 3.58Å; V35-C210 WeakPolarHBondContact O-CA 3.46Å; V35-C210 VanDerWaalsContact O-CB 3.26Å; V35-C210 WeakPolarHBondContact O-CB 3.47Å; G37-C210 VanDerWaalsContact CA-SG 3.52Å; L198-C210 VanDerWaalsContact CD2-SG 3.54Å; I206-C210 HydrophobicContact CG2-CB 3.95Å; I206-C210 VanDerWaalsContact O-CB 3.23Å; I206-C210 WeakPolarHBondContact O-CB 2.84Å; I206-C210 PolarHBondContact O-N 2.92Å; C210-V227 HydrophobicContact CB-CG2 3.73Å; C210-V227 WeakPolarHBondContact O-CG2 3.47Å
211N96.3Very high94.1Very high70 Ų7042.9 Ų42.937%0.37420%0.203SC..SBendtrans-97.9-29.3169.367.5-30.6000112.2D34 V35 V227D34-N211 PolarHBondContact OD1-ND2 3.17Å; V35-N211 VanDerWaalsContact C-OD1 3.28Å; V35-N211 PolarHBondContact N-OD1 2.84Å; V35-N211 PolarHBondContact O-N 2.73Å; V35-N211 PolarHBondContact O-OD1 3.24Å; N211-V227 PolarHBondContact O-N 3.24Å
212K97.4Very high94.3Very high58 Ų5841.1 Ų41.125%0.25220%0.197SC..EExtended strand (participates in β ladder)trans-129.4154.4174.6-66.3179.5-171.7159.30111.1D34 Y36 G37 G225D34-K212 IonicContact OD1-NZ 3.52Å; D34-K212 WeakPolarHBondContact OD2-CD 3.43Å; D34-K212 WeakPolarHBondContact OD2-CE 3.43Å; D34-K212 IonicContact OD2-NZ 3.9Å; D34-K212 PolarHBondContact OD2-NZ 2.95Å; Y36-K212 HydrophobicContact CD2-CB 3.6Å; Y36-K212 HydrophobicContact CD2-CD 4.1Å; Y36-K212 HydrophobicContact CE2-CB 3.56Å; Y36-K212 HydrophobicContact CE2-CD 3.94Å; Y36-K212 HydrophobicContact CE2-CG 4.43Å; Y36-K212 HydrophobicContact CG-CB 4.39Å; G37-K212 PolarHBondContact N-O 3.22Å; K212-G225 WeakPolarHBondContact CA-O 3.36Å
213V97.5Very high94.7Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-139.6142.7178.861.50000111.3G37 V39 I206 E224 G225 V227 V230G37-V213 CarbonylContact O-C 3.56Å; G37-V213 VanDerWaalsContact O-CA 3.25Å; G37-V213 WeakPolarHBondContact O-CA 3.32Å; V39-V213 HydrophobicContact CG1-CG2 3.74Å; I206-V213 HydrophobicContact CG1-CG2 4.41Å; I206-V213 HydrophobicContact CG2-CB 3.76Å; I206-V213 HydrophobicContact CG2-CG1 4.48Å; I206-V213 HydrophobicContact CG2-CG2 3.72Å; V213-E224 VanDerWaalsContact O-CA 3.28Å; V213-E224 WeakPolarHBondContact O-CA 3.36Å; V213-G225 PolarHBondContact N-O 3.04Å; V213-G225 PolarHBondContact O-N 3.23Å; V213-V227 HydrophobicContact CB-CG2 4.07Å; V213-V227 HydrophobicContact CG1-CG2 4.14Å; V213-V230 HydrophobicContact CG1-CB 3.8Å; V213-V230 HydrophobicContact CG1-CG1 3.92Å; V213-V230 HydrophobicContact CG1-CG2 3.78Å
214A97.5Very high95Very high0 Ų043.6 Ų43.60%021%0.209CC..EExtended strand (participates in β ladder)trans-115.2132.8161.200000109.6L28 Y36 G37 I38 V39 I221 E223 E224L28-A214 HydrophobicContact CD1-CB 4.5Å; Y36-A214 HydrophobicContact CE1-CB 3.77Å; G37-A214 PolarHBondContact O-N 3.31Å; I38-A214 WeakPolarHBondContact CA-O 3.33Å; V39-A214 PolarHBondContact N-O 2.82Å; A214-I221 HydrophobicContact CB-CD1 3.97Å; A214-I221 HydrophobicContact CB-CG1 4.31Å; A214-I221 HydrophobicContact CB-CG2 4.04Å; A214-E223 CarbonylContact C-O 3.57Å; A214-E223 WeakPolarHBondContact CA-O 3.33Å; A214-E224 HydrophobicContact CB-CB 4.4Å
215V96.9Very high95.4Very high0 Ų042.9 Ų42.90%021%0.211CC..EExtended strand (participates in β ladder)trans-97.8122.1174-172.80000108.2V39 I221 V222 E223 V230 V238 T239V39-V215 HydrophobicContact CG1-CB 4.29Å; V39-V215 HydrophobicContact CG1-CG1 4.35Å; V39-V215 HydrophobicContact CG1-CG2 3.81Å; V39-V215 CarbonylContact O-C 3.57Å; V39-V215 WeakPolarHBondContact O-CA 3.44Å; V215-I221 WeakPolarHBondContact O-CA 3.36Å; V215-V222 HydrophobicContact CB-CG2 4.19Å; V215-V222 HydrophobicContact CG1-CG2 4.04Å; V215-V222 WeakPolarHBondContact O-CG2 3.44Å; V215-V222 PolarHBondContact O-N 2.87Å; V215-E223 HydrophobicContact CB-CB 4.18Å; V215-E223 HydrophobicContact CG2-CB 4.24Å; V215-E223 PolarHBondContact N-O 2.83Å; V215-V230 HydrophobicContact CG2-CG1 4.47Å; V215-V238 HydrophobicContact CG1-CG1 3.98Å; V215-V238 HydrophobicContact CG1-CG2 4.46Å; V215-T239 HydrophobicContact CG2-CG2 4.07Å
216M96.7Very high95.6Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-104.9134.2179.9-73.4-172.271.400112.2I26 I38 V39 G40 A44 K46 L49 K220 I221I26-M216 HydrophobicContact CD1-CE 3.64Å; I26-M216 HydrophobicContact CD1-SD 4.5Å; I38-M216 HydrophobicContact CG2-CB 4.49Å; I38-M216 HydrophobicContact CG2-CG 3.56Å; I38-M216 HydrophobicContact CG2-SD 3.37Å; I38-M216 WeakPolarHBondContact CG2-SD 3.37Å; V39-M216 PolarHBondContact O-N 3.2Å; G40-M216 WeakPolarHBondContact CA-O 3.13Å; A44-M216 HydrophobicContact CB-CB 4.32Å; K46-M216 HydrophobicContact CG-SD 4.19Å; L49-M216 HydrophobicContact CB-SD 4.45Å; L49-M216 HydrophobicContact CD2-CE 4.16Å; L49-M216 HydrophobicContact CD2-SD 3.53Å; L49-M216 VanDerWaalsContact CD2-SD 3.53Å; M216-K220 CarbonylContact C-O 3.43Å; M216-K220 WeakPolarHBondContact CA-O 3.45Å; M216-I221 HydrophobicContact CG-CG1 4.22Å
217E95Very high95.6Very high78 Ų7846 Ų4636%0.36423%0.232SC..EExtended strand (participates in β ladder)trans-143.2132.6172.5-178.1172.9-130.500109.5G219 K220 V222 V238E217-G219 PolarHBondContact O-N 3.49Å; E217-G219 VanDerWaalsContact O-N 3.12Å; E217-K220 PolarHBondContact N-O 2.86Å; E217-K220 PolarHBondContact O-N 3.01Å; E217-V222 HydrophobicContact CB-CG1 3.89Å; E217-V222 HydrophobicContact CB-CG2 4.17Å; E217-V238 HydrophobicContact CB-CG1 4.41Å
218L93.5Very high95.6Very high146 Ų14649.2 Ų49.276%0.76425%0.245SC*.THydrogen-bonded Turntrans48.642.8176.7-59.4172.9000114K220L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 2.74Å
219G95.2Very high95.8Very high1 Ų150.5 Ų50.51%0.0125%0.252CS..THydrogen-bonded Turntrans77.95.5178.100000115.3A22 V23 N24 A44 E217A22-G219 VanDerWaalsContact O-CA 3.28Å; A22-G219 WeakPolarHBondContact O-CA 3.39Å; V23-G219 CarbonylContact C-O 3.53Å; V23-G219 WeakPolarHBondContact CA-O 3.47Å; N24-G219 PolarHBondContact N-O 3.27Å; A44-G219 WeakPolarHBondContact O-CA 3.37Å; A44-G219 PolarHBondContact O-N 3.3Å; E217-G219 PolarHBondContact O-N 3.49Å; E217-G219 VanDerWaalsContact O-N 3.12Å
220K96.9Very high95.7Very high107 Ų10749.8 Ų49.847%0.46525%0.248SC..EExtended strand (participates in β ladder)trans-116.7153.9178.9-64.3-176.2176-177.70111N24 M216 E217 L218N24-K220 HydrophobicContact CB-CG 4.14Å; N24-K220 WeakPolarHBondContact ND2-CE 3.42Å; M216-K220 CarbonylContact C-O 3.43Å; M216-K220 WeakPolarHBondContact CA-O 3.45Å; E217-K220 PolarHBondContact N-O 2.86Å; E217-K220 PolarHBondContact O-N 3.01Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 2.74Å
221I96.9Very high95.4Very high37 Ų3751 Ų5119%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-82.5119.2161.7-62.6-179.2000106.9I26 L28 A214 V215 M216 E224I26-I221 HydrophobicContact CD1-CG1 4.2Å; I26-I221 HydrophobicContact CG1-CG1 4.33Å; I26-I221 HydrophobicContact CG2-CD1 3.56Å; I26-I221 HydrophobicContact CG2-CG1 4Å; L28-I221 HydrophobicContact CB-CD1 4.03Å; L28-I221 HydrophobicContact CD1-CD1 3.99Å; L28-I221 HydrophobicContact CD2-CD1 4.28Å; L28-I221 HydrophobicContact CG-CD1 4.32Å; A214-I221 HydrophobicContact CB-CD1 3.97Å; A214-I221 HydrophobicContact CB-CG1 4.31Å; A214-I221 HydrophobicContact CB-CG2 4.04Å; V215-I221 WeakPolarHBondContact O-CA 3.36Å; M216-I221 HydrophobicContact CG-CG1 4.22Å; I221-E224 HydrophobicContact CG2-CB 4.14Å
222V96.5Very high95.1Very high40 Ų4055 Ų5524%0.24226%0.262CS..EExtended strand (participates in β ladder)trans-99.3-24.6-179.2-65.70000112.4V215 E217 Q236 V238V215-V222 HydrophobicContact CB-CG2 4.19Å; V215-V222 HydrophobicContact CG1-CG2 4.04Å; V215-V222 WeakPolarHBondContact O-CG2 3.44Å; V215-V222 PolarHBondContact O-N 2.87Å; E217-V222 HydrophobicContact CB-CG1 3.89Å; E217-V222 HydrophobicContact CB-CG2 4.17Å; V222-Q236 HydrophobicContact CB-CG 4.09Å; V222-Q236 HydrophobicContact CG2-CB 4.42Å; V222-Q236 HydrophobicContact CG2-CG 4.22Å; V222-Q236 VanDerWaalsContact O-CG 3.24Å; V222-Q236 WeakPolarHBondContact O-CG 3.36Å; V222-Q236 PolarHBondContact O-NE2 3.09Å; V222-V238 HydrophobicContact CG2-CG1 3.7Å
223E96.3Very high94.8Very high20 Ų2057.2 Ų57.29%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-150.8141.7177.3-164.4162.9173.300109.6A214 V215 Q235 Q236 T239A214-E223 CarbonylContact C-O 3.57Å; A214-E223 WeakPolarHBondContact CA-O 3.33Å; V215-E223 HydrophobicContact CB-CB 4.18Å; V215-E223 HydrophobicContact CG2-CB 4.24Å; V215-E223 PolarHBondContact N-O 2.83Å; E223-Q235 PolarHBondContact OE1-N 2.85Å; E223-Q235 PolarHBondContact OE2-N 3.12Å; E223-Q236 HydrophobicContact CB-CB 4.47Å; E223-Q236 HydrophobicContact CB-CG 3.82Å; E223-Q236 HydrophobicContact CG-CG 4.42Å; E223-Q236 WeakPolarHBondContact OE2-CB 3.45Å; E223-Q236 WeakPolarHBondContact OE2-CG 3.46Å; E223-Q236 PolarHBondContact OE2-N 2.89Å; E223-T239 WeakPolarHBondContact OE2-CB 3.36Å; E223-T239 WeakPolarHBondContact OE2-CG2 3.44Å; E223-T239 PolarHBondContact OE2-OG1 3.25Å
224E96.4Very high94.6Very high111 Ų11158.6 Ų58.652%0.51928%0.282SS..EExtended strand (participates in β ladder)trans-146.6153.4174.465.3172.5-173.900110.8V213 A214 I221V213-E224 VanDerWaalsContact O-CA 3.28Å; V213-E224 WeakPolarHBondContact O-CA 3.36Å; A214-E224 HydrophobicContact CB-CB 4.4Å; I221-E224 HydrophobicContact CG2-CB 4.14Å
225G95.7Very high94.3Very high26 Ų2664.9 Ų64.927%0.26831%0.312SS..EExtended strand (participates in β ladder)trans166.5-168.4175.300000113.3K212 V213K212-G225 WeakPolarHBondContact CA-O 3.36Å; V213-G225 PolarHBondContact N-O 3.04Å; V213-G225 PolarHBondContact O-N 3.23Å
226S96.2Very high94.2Very high55 Ų5569 Ų6939%0.38533%0.33SS..EExtended strand (participates in β ladder)trans-66143.216777.40000109.5R228 E229 V230S226-R228 PolarHBondContact O-N 2.9Å; S226-E229 PolarHBondContact O-N 2.88Å; S226-E229 WeakPolarHBondContact OG-CB 3.49Å; S226-E229 PolarHBondContact OG-N 3.12Å; S226-E229 VanDerWaalsContact OG-N 3.14Å; S226-V230 PolarHBondContact O-N 2.78Å
227V95Very high94Very high13 Ų1374.8 Ų74.88%0.07936%0.358CS..Hα-helixtrans-53.3-42176.8169.20000110.5I206 C210 N211 V213 E229 F231I206-V227 HydrophobicContact CG2-CG1 4.39Å; I206-V227 HydrophobicContact CG2-CG2 3.73Å; C210-V227 HydrophobicContact CB-CG2 3.73Å; C210-V227 WeakPolarHBondContact O-CG2 3.47Å; N211-V227 PolarHBondContact O-N 3.24Å; V213-V227 HydrophobicContact CB-CG2 4.07Å; V213-V227 HydrophobicContact CG1-CG2 4.14Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.93Å; V227-F231 HydrophobicContact CG1-CD2 3.75Å; V227-F231 HydrophobicContact CG1-CE2 3.64Å; V227-F231 HydrophobicContact CG1-CZ 4.38Å; V227-F231 WeakPolarHBondContact O-CB 3.48Å; V227-F231 WeakPolarHBondContact O-CD2 3.39Å; V227-F231 PolarHBondContact O-N 2.84Å
228R92.3Very high93.9Very high166 Ų16671.3 Ų71.363%0.62634%0.342SS*.Hα-helixtrans-58.1-41.2177.4-178.2177.7172.8176.9-1.9113.2S226 R232S226-R228 PolarHBondContact O-N 2.9Å; R228-R232 VanDerWaalsContact NH2-NH1 3.18Å; R228-R232 WeakPolarHBondContact O-CB 3.37Å; R228-R232 WeakPolarHBondContact O-CD 3.43Å; R228-R232 WeakPolarHBondContact O-CG 3.47Å; R228-R232 PolarHBondContact O-N 3.21Å
229E93.2Very high93.9Very high102 Ų10264.3 Ų64.348%0.47731%0.305SS..Hα-helixtrans-75.2-47.9-177.4-172.659.8-161.300111.3S226 V227 F231 R232 H233S226-E229 PolarHBondContact O-N 2.88Å; S226-E229 WeakPolarHBondContact OG-CB 3.49Å; S226-E229 PolarHBondContact OG-N 3.12Å; S226-E229 VanDerWaalsContact OG-N 3.14Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.93Å; E229-F231 VanDerWaalsContact C-N 3.28Å; E229-F231 PolarHBondContact O-N 3.37Å; E229-R232 PolarHBondContact O-N 2.71Å; E229-R232 VanDerWaalsContact O-N 3.12Å; E229-H233 PolarHBondContact O-N 3.38Å; E229-H233 IonicContact OE1-CD2 3.63Å; E229-H233 PolarHBondContact OE1-CD2 3.41Å
230V92.6Very high93.7Very high4 Ų467.7 Ų67.72%0.02432%0.319CS..Hα-helixtrans-62.1-36.4-178.9175.80000111.5V213 V215 S226 P234 T239V213-V230 HydrophobicContact CG1-CB 3.8Å; V213-V230 HydrophobicContact CG1-CG1 3.92Å; V213-V230 HydrophobicContact CG1-CG2 3.78Å; V215-V230 HydrophobicContact CG2-CG1 4.47Å; S226-V230 PolarHBondContact O-N 2.78Å; V230-P234 WeakPolarHBondContact O-CA 3.47Å; V230-P234 WeakPolarHBondContact O-CB 3.43Å; V230-P234 WeakPolarHBondContact O-CD 3.47Å; V230-T239 HydrophobicContact CG1-CG2 3.51Å
231F89.8Confident93.3Very high36 Ų3665.3 Ų65.316%0.15831%0.311CS..Hα-helixtrans-74.1-33.2176-84.2-113.4000113.5M203 I206 R207 V227 E229 V243 D246M203-F231 HydrophobicContact CG-CE1 3.7Å; M203-F231 HydrophobicContact CG-CE2 4.02Å; M203-F231 HydrophobicContact CG-CZ 3.28Å; M203-F231 HydrophobicContact SD-CD2 4.48Å; M203-F231 HydrophobicContact SD-CE1 4.23Å; M203-F231 HydrophobicContact SD-CE2 3.4Å; M203-F231 WeakPolarHBondContact SD-CE2 3.45Å; M203-F231 HydrophobicContact SD-CZ 3.27Å; M203-F231 WeakPolarHBondContact SD-CZ 3.48Å; I206-F231 HydrophobicContact CG2-CE2 4.12Å; R207-F231 HydrophobicContact CB-CE1 3.68Å; R207-F231 HydrophobicContact CB-CZ 3.59Å; R207-F231 HydrophobicContact CG-CD1 4.46Å; R207-F231 HydrophobicContact CG-CE1 3.88Å; R207-F231 HydrophobicContact CG-CZ 4.21Å; V227-F231 HydrophobicContact CG1-CD2 3.75Å; V227-F231 HydrophobicContact CG1-CE2 3.64Å; V227-F231 HydrophobicContact CG1-CZ 4.38Å; V227-F231 WeakPolarHBondContact O-CB 3.48Å; V227-F231 WeakPolarHBondContact O-CD2 3.39Å; V227-F231 PolarHBondContact O-N 2.84Å; E229-F231 VanDerWaalsContact C-N 3.28Å; E229-F231 PolarHBondContact O-N 3.37Å; F231-V243 HydrophobicContact CD1-CG2 4.47Å; F231-V243 HydrophobicContact CG-CG2 4.45Å; F231-D246 WeakPolarHBondContact CE1-OD2 3.2Å
232R89.5Confident93Very high154 Ų15463.7 Ų63.758%0.58130%0.303SS*.Hα-helixtrans-78.8-39.1-179.3-79.7179.1166.4-153.5-11.4112.5R228 E229 P234R228-R232 VanDerWaalsContact NH2-NH1 3.18Å; R228-R232 WeakPolarHBondContact O-CB 3.37Å; R228-R232 WeakPolarHBondContact O-CD 3.43Å; R228-R232 WeakPolarHBondContact O-CG 3.47Å; R228-R232 PolarHBondContact O-N 3.21Å; E229-R232 PolarHBondContact O-N 2.71Å; E229-R232 VanDerWaalsContact O-N 3.12Å; R232-P234 VanDerWaalsContact C-CD 3.47Å
233H91.5Very high92.6Very high106 Ų10662.1 Ų62.149%0.49129%0.294SS..SBendtrans-133.959.4-173-61.9-53.7000111.3E229 Q235E229-H233 PolarHBondContact O-N 3.38Å; E229-H233 IonicContact OE1-CD2 3.63Å; E229-H233 PolarHBondContact OE1-CD2 3.41Å; H233-Q235 PolarHBondContact O-N 3.04Å; H233-Q235 PolarHBondContact O-NE2 3.31Å
234P92.2Very high92Very high29 Ų2967.1 Ų67.119%0.18832%0.317CS..  trans-62.4121179.126.9-34.8000110.4V230 R232 T239 K240 V243V230-P234 WeakPolarHBondContact O-CA 3.47Å; V230-P234 WeakPolarHBondContact O-CB 3.43Å; V230-P234 WeakPolarHBondContact O-CD 3.47Å; R232-P234 VanDerWaalsContact C-CD 3.47Å; P234-T239 HydrophobicContact CB-CG2 3.64Å; P234-K240 HydrophobicContact CB-CG 3.86Å; P234-K240 HydrophobicContact CG-CG 3.89Å; P234-K240 VanDerWaalsContact O-CE 3.24Å; P234-K240 WeakPolarHBondContact O-CE 3.34Å; P234-V243 HydrophobicContact CB-CG2 4.29Å; P234-V243 HydrophobicContact CG-CG2 4.44Å
235Q93.2Very high91.2Very high132 Ų13266.5 Ų66.562%0.61731%0.314SS*.  trans-90.5-43.3-175.6-61.5-57.4-49.100112E223 H233 K240E223-Q235 PolarHBondContact OE1-N 2.85Å; E223-Q235 PolarHBondContact OE2-N 3.12Å; H233-Q235 PolarHBondContact O-N 3.04Å; H233-Q235 PolarHBondContact O-NE2 3.31Å; Q235-K240 WeakPolarHBondContact O-CE 3.49Å; Q235-K240 PolarHBondContact O-NZ 3.46Å
236Q94.5Very high90.4Very high85 Ų8566.3 Ų66.340%0.39731%0.307SS..SBendtrans-83.2149.5-177.4-58.2-62.2-22.200112V222 E223 V238 T239 K240V222-Q236 HydrophobicContact CB-CG 4.09Å; V222-Q236 HydrophobicContact CG2-CB 4.42Å; V222-Q236 HydrophobicContact CG2-CG 4.22Å; V222-Q236 VanDerWaalsContact O-CG 3.24Å; V222-Q236 WeakPolarHBondContact O-CG 3.36Å; V222-Q236 PolarHBondContact O-NE2 3.09Å; E223-Q236 HydrophobicContact CB-CB 4.47Å; E223-Q236 HydrophobicContact CB-CG 3.82Å; E223-Q236 HydrophobicContact CG-CG 4.42Å; E223-Q236 WeakPolarHBondContact OE2-CB 3.45Å; E223-Q236 WeakPolarHBondContact OE2-CG 3.46Å; E223-Q236 PolarHBondContact OE2-N 2.89Å; Q236-V238 HydrophobicContact CB-CG1 4.26Å; Q236-V238 PolarHBondContact O-N 3Å; Q236-T239 WeakPolarHBondContact O-CB 3.42Å; Q236-T239 PolarHBondContact O-N 3.27Å; Q236-T239 VanDerWaalsContact O-N 3.16Å; Q236-K240 WeakPolarHBondContact O-CG 3.2Å; Q236-K240 PolarHBondContact O-N 3.33Å
237E92.8Very high89.3Confident122 Ų12269.6 Ų69.657%0.5732%0.319SS*.Hα-helixtrans-62.7-44.8-176.8-164.461.4-16600112.3T239 K240 I241E237-T239 VanDerWaalsContact C-N 3.29Å; E237-T239 PolarHBondContact O-N 2.72Å; E237-K240 WeakPolarHBondContact O-CB 3.44Å; E237-K240 PolarHBondContact O-N 2.82Å; E237-K240 IonicContact OE2-NZ 2.61Å; E237-K240 PolarHBondContact OE2-NZ 3.31Å; E237-I241 HydrophobicContact CG-CD1 4.48Å; E237-I241 WeakPolarHBondContact O-CG1 3.46Å; E237-I241 PolarHBondContact O-N 3.12Å
238V92.1Very high87.9Confident5 Ų575.4 Ų75.43%0.0335%0.346CS..Hα-helixtrans-59.1-40.3174.959.80000112.1Y41 V215 E217 V222 Q236 I241 F242Y41-V238 HydrophobicContact CD2-CG2 4.09Å; Y41-V238 HydrophobicContact CE2-CG2 3.71Å; V215-V238 HydrophobicContact CG1-CG1 3.98Å; V215-V238 HydrophobicContact CG1-CG2 4.46Å; E217-V238 HydrophobicContact CB-CG1 4.41Å; V222-V238 HydrophobicContact CG2-CG1 3.7Å; Q236-V238 HydrophobicContact CB-CG1 4.26Å; Q236-V238 PolarHBondContact O-N 3Å; V238-I241 PolarHBondContact O-N 3.48Å; V238-F242 HydrophobicContact CG2-CD2 3.79Å; V238-F242 HydrophobicContact CG2-CE2 3.51Å; V238-F242 WeakPolarHBondContact O-CD2 3.43Å; V238-F242 PolarHBondContact O-N 3.36Å
239T92.5Very high86.3Confident0 Ų070.1 Ų70.10%033%0.333CS..Hα-helixtrans-64.5-44.6176.7-50.30000111V215 E223 V230 P234 Q236 E237 I241 F242 V243V215-T239 HydrophobicContact CG2-CG2 4.07Å; E223-T239 WeakPolarHBondContact OE2-CB 3.36Å; E223-T239 WeakPolarHBondContact OE2-CG2 3.44Å; E223-T239 PolarHBondContact OE2-OG1 3.25Å; V230-T239 HydrophobicContact CG1-CG2 3.51Å; P234-T239 HydrophobicContact CB-CG2 3.64Å; Q236-T239 WeakPolarHBondContact O-CB 3.42Å; Q236-T239 PolarHBondContact O-N 3.27Å; Q236-T239 VanDerWaalsContact O-N 3.16Å; E237-T239 VanDerWaalsContact C-N 3.29Å; E237-T239 PolarHBondContact O-N 2.72Å; T239-I241 VanDerWaalsContact C-N 3.31Å; T239-I241 PolarHBondContact O-N 3.38Å; T239-F242 PolarHBondContact O-N 2.98Å; T239-V243 HydrophobicContact CG2-CG2 4.38Å; T239-V243 WeakPolarHBondContact O-CG2 3.41Å; T239-V243 PolarHBondContact O-N 2.9Å
240K91.9Very high84.7Confident71 Ų7171.4 Ų71.431%0.30934%0.337SS..Hα-helixtrans-58.4-43.9177.1-69.4171.4-164.7162.70111.4P234 Q235 Q236 E237 V243 Q244P234-K240 HydrophobicContact CB-CG 3.86Å; P234-K240 HydrophobicContact CG-CG 3.89Å; P234-K240 VanDerWaalsContact O-CE 3.24Å; P234-K240 WeakPolarHBondContact O-CE 3.34Å; Q235-K240 WeakPolarHBondContact O-CE 3.49Å; Q235-K240 PolarHBondContact O-NZ 3.46Å; Q236-K240 WeakPolarHBondContact O-CG 3.2Å; Q236-K240 PolarHBondContact O-N 3.33Å; E237-K240 WeakPolarHBondContact O-CB 3.44Å; E237-K240 PolarHBondContact O-N 2.82Å; E237-K240 IonicContact OE2-NZ 2.61Å; E237-K240 PolarHBondContact OE2-NZ 3.31Å; K240-V243 PolarHBondContact O-N 2.96Å; K240-Q244 WeakPolarHBondContact O-CB 3.34Å; K240-Q244 VanDerWaalsContact O-CG 3.23Å; K240-Q244 WeakPolarHBondContact O-CG 3.42Å; K240-Q244 PolarHBondContact O-N 2.95Å
241I89.2Confident83.1Confident57 Ų5776.7 Ų76.729%0.29238%0.381SS..Hα-helixtrans-61-48.6177.1-64.7165000110.4Y41 E237 V238 T239 V243 Q244 Q245Y41-I241 VanDerWaalsContact OH-CG2 3.29Å; Y41-I241 WeakPolarHBondContact OH-CG2 3.36Å; E237-I241 HydrophobicContact CG-CD1 4.48Å; E237-I241 WeakPolarHBondContact O-CG1 3.46Å; E237-I241 PolarHBondContact O-N 3.12Å; V238-I241 PolarHBondContact O-N 3.48Å; T239-I241 VanDerWaalsContact C-N 3.31Å; T239-I241 PolarHBondContact O-N 3.38Å; I241-V243 VanDerWaalsContact C-N 3.34Å; I241-V243 PolarHBondContact O-N 3.37Å; I241-Q244 PolarHBondContact O-N 2.86Å; I241-Q245 HydrophobicContact CG2-CG 4.34Å; I241-Q245 WeakPolarHBondContact O-CB 3.29Å; I241-Q245 VanDerWaalsContact O-CG 3.31Å; I241-Q245 WeakPolarHBondContact O-CG 3.46Å; I241-Q245 PolarHBondContact O-N 2.93Å
242F88.7Confident82.1Confident3 Ų379.8 Ų79.81%0.01340%0.399CS..Hα-helixtrans-60.6-41.2178.1-83.1-62.7000113.1V39 Y41 H201 M203 V238 T239 D246V39-F242 HydrophobicContact CG2-CD1 4.42Å; V39-F242 HydrophobicContact CG2-CE1 4.35Å; V39-F242 HydrophobicContact CG2-CZ 4.47Å; Y41-F242 HydrophobicContact CD1-CE1 4.39Å; Y41-F242 AromaticContact CD1-CZ 3.87Å; Y41-F242 HydrophobicContact CD1-CZ 3.87Å; Y41-F242 HydrophobicContact CD2-CE2 4.3Å; Y41-F242 HydrophobicContact CD2-CZ 4.18Å; Y41-F242 HydrophobicContact CE1-CE1 4.11Å; Y41-F242 AromaticContact CE1-CZ 3.83Å; Y41-F242 HydrophobicContact CE1-CZ 3.83Å; Y41-F242 HydrophobicContact CE2-CE2 4.14Å; Y41-F242 HydrophobicContact CE2-CZ 4.16Å; Y41-F242 HydrophobicContact CG-CZ 4.03Å; Y41-F242 AromaticContact CZ-CZ 3.98Å; H201-F242 VanDerWaalsContact O-CE1 3.31Å; H201-F242 WeakPolarHBondContact O-CE1 3.26Å; M203-F242 HydrophobicContact CB-CB 4.24Å; M203-F242 HydrophobicContact CE-CB 3.38Å; M203-F242 HydrophobicContact CE-CD2 4.47Å; M203-F242 HydrophobicContact CE-CG 3.99Å; M203-F242 HydrophobicContact CG-CB 4.37Å; V238-F242 HydrophobicContact CG2-CD2 3.79Å; V238-F242 HydrophobicContact CG2-CE2 3.51Å; V238-F242 WeakPolarHBondContact O-CD2 3.43Å; V238-F242 PolarHBondContact O-N 3.36Å; T239-F242 PolarHBondContact O-N 2.98Å; F242-D246 WeakPolarHBondContact O-CB 2.99Å; F242-D246 PolarHBondContact O-N 2.87Å
243V88.1Confident81.5Confident8 Ų873.8 Ų73.85%0.04838%0.381CS..Hα-helixtrans-67-41.9177.5172.20000110.6F231 P234 T239 K240 I241 D246 L247F231-V243 HydrophobicContact CD1-CG2 4.47Å; F231-V243 HydrophobicContact CG-CG2 4.45Å; P234-V243 HydrophobicContact CB-CG2 4.29Å; P234-V243 HydrophobicContact CG-CG2 4.44Å; T239-V243 HydrophobicContact CG2-CG2 4.38Å; T239-V243 WeakPolarHBondContact O-CG2 3.41Å; T239-V243 PolarHBondContact O-N 2.9Å; K240-V243 PolarHBondContact O-N 2.96Å; I241-V243 VanDerWaalsContact C-N 3.34Å; I241-V243 PolarHBondContact O-N 3.37Å; V243-D246 PolarHBondContact O-N 3.04Å; V243-L247 HydrophobicContact CG1-CD1 3.96Å; V243-L247 HydrophobicContact CG1-CG 4.48Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.33Å; V243-L247 PolarHBondContact O-N 2.82Å; V243-L247 VanDerWaalsContact O-N 3.09Å
244Q83.8Confident80.9Confident125 Ų12570.5 Ų70.558%0.58437%0.369SS*.Hα-helixtrans-62-47176.7-76.1172.90.700111.9K240 I241 D246 L247 E248K240-Q244 WeakPolarHBondContact O-CB 3.34Å; K240-Q244 VanDerWaalsContact O-CG 3.23Å; K240-Q244 WeakPolarHBondContact O-CG 3.42Å; K240-Q244 PolarHBondContact O-N 2.95Å; I241-Q244 PolarHBondContact O-N 2.86Å; Q244-D246 PolarHBondContact O-N 3.05Å; Q244-L247 CarbonylContact O-C 3.57Å; Q244-L247 PolarHBondContact O-N 2.8Å; Q244-E248 PolarHBondContact O-N 2.96Å; Q244-E248 VanDerWaalsContact O-N 3.09Å
245Q80.4Confident80.3Confident97 Ų9774.1 Ų74.145%0.45339%0.387SS..Hα-helixtrans-59.4-31.2177.5-74177.7-23.800112.9I241I241-Q245 HydrophobicContact CG2-CG 4.34Å; I241-Q245 WeakPolarHBondContact O-CB 3.29Å; I241-Q245 VanDerWaalsContact O-CG 3.31Å; I241-Q245 WeakPolarHBondContact O-CG 3.46Å; I241-Q245 PolarHBondContact O-N 2.93Å
246D78.9Confident79.7Confident23 Ų2371.9 Ų71.912%0.12338%0.379CS..Hα-helixtrans-86.1-13.7178.8-177.854.5000113.9M203 N204 R207 F231 F242 V243 Q244M203-D246 HydrophobicContact CB-CB 3.89Å; M203-D246 HydrophobicContact CG-CB 4.11Å; N204-D246 WeakPolarHBondContact CA-OD1 3.4Å; N204-D246 VanDerWaalsContact CB-OD1 3.22Å; N204-D246 WeakPolarHBondContact CB-OD1 3.47Å; N204-D246 PolarHBondContact N-OD1 3.42Å; N204-D246 VanDerWaalsContact N-OD1 3.17Å; R207-D246 IonicContact CZ-OD1 2.8Å; R207-D246 IonicContact CZ-OD2 2.65Å; R207-D246 IonicContact NE-OD2 3.85Å; R207-D246 PolarHBondContact NE-OD2 3.19Å; R207-D246 PolarHBondContact NH1-O 2.9Å; R207-D246 IonicContact NH1-OD1 2.78Å; R207-D246 PolarHBondContact NH1-OD1 3.29Å; R207-D246 IonicContact NH1-OD2 3.88Å; R207-D246 PolarHBondContact NH1-OD2 3.41Å; R207-D246 IonicContact NH2-OD1 2.79Å; R207-D246 PolarHBondContact NH2-OD1 3.5Å; R207-D246 IonicContact NH2-OD2 3.46Å; F231-D246 WeakPolarHBondContact CE1-OD2 3.2Å; F242-D246 WeakPolarHBondContact O-CB 2.99Å; F242-D246 PolarHBondContact O-N 2.87Å; V243-D246 PolarHBondContact O-N 3.04Å; Q244-D246 PolarHBondContact O-N 3.05Å
247L73.4Confident79.3Confident123 Ų12368.6 Ų68.664%0.64436%0.364SS*.Hα-helixtrans-91.5-10169.9-69.6172000112.3V243 Q244V243-L247 HydrophobicContact CG1-CD1 3.96Å; V243-L247 HydrophobicContact CG1-CG 4.48Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.33Å; V243-L247 PolarHBondContact O-N 2.82Å; V243-L247 VanDerWaalsContact O-N 3.09Å; Q244-L247 CarbonylContact O-C 3.57Å; Q244-L247 PolarHBondContact O-N 2.8Å
248E66.3Low79Confident135 Ų13568.8 Ų68.863%0.63136%0.363SS*.SBendtrans-55.9130.9175.2-76.2-179.9-173.500109.5Q244 K250Q244-E248 PolarHBondContact O-N 2.96Å; Q244-E248 VanDerWaalsContact O-N 3.09Å; E248-K250 PolarHBondContact O-N 3.44Å
249P57.7Low78.7Confident55 Ų5575 Ų7536%0.35739%0.392SS..PPolyproline II helixtrans-57127.9-175.3-18.528000110.4A251 Y299 N301P249-A251 PolarHBondContact O-N 3.32Å; P249-Y299 HydrophobicContact CB-CE2 3.72Å; P249-Y299 WeakPolarHBondContact CB-OH 3.03Å; P249-N301 HydrophobicContact CB-CB 4.42Å; P249-N301 HydrophobicContact CG-CB 4.25Å
250K60.4Low78.4Confident129 Ų12977.2 Ų77.256%0.56140%0.401SS*.PPolyproline II helixtrans-56.9139.4174.6-70-169.7177.6-173.20108.8E248 D252 Y299E248-K250 PolarHBondContact O-N 3.44Å; K250-D252 PolarHBondContact O-N 3.44Å; K250-Y299 PolarHBondContact O-OH 2.9Å
251A58.4Low78.2Confident116 Ų11676 Ų7696%0.95940%0.398SS*.SBendtrans-54.7-25.3178.900000113.5P249P249-A251 PolarHBondContact O-N 3.32Å
252D68.5Low78.1Confident100 Ų10082 Ų8254%0.53542%0.421SS..  trans-127113.7174-17710.2000111.2K250 S254K250-D252 PolarHBondContact O-N 3.44Å; D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 3.02Å; D252-S254 WeakPolarHBondContact OD1-CB 3.27Å; D252-S254 PolarHBondContact OD1-N 2.89Å; D252-S254 PolarHBondContact OD1-OG 3.33Å; D252-S254 VanDerWaalsContact OD1-OG 3.11Å; D252-S254 PolarHBondContact OD2-OG 2.88Å
253P76.6Confident78.1Confident29 Ų2989 Ų8919%0.18845%0.454CS..  trans-83.34.3176.134.4-35.5000113.7D255 L256 L257 Y299P253-D255 VanDerWaalsContact C-N 3.3Å; P253-D255 PolarHBondContact O-N 3.27Å; P253-D255 VanDerWaalsContact O-N 3.14Å; P253-L256 WeakPolarHBondContact O-CB 3.49Å; P253-L256 PolarHBondContact O-N 3.47Å; P253-L256 VanDerWaalsContact O-N 3.07Å; P253-L257 HydrophobicContact CB-CD1 4.21Å; P253-L257 HydrophobicContact CB-CG 4.25Å; P253-L257 HydrophobicContact CG-CD1 4.03Å; P253-L257 WeakPolarHBondContact O-CG 3.43Å; P253-L257 PolarHBondContact O-N 3.45Å; P253-Y299 HydrophobicContact CB-CD1 3.88Å; P253-Y299 HydrophobicContact CB-CD2 4.19Å; P253-Y299 HydrophobicContact CB-CE1 3.85Å; P253-Y299 HydrophobicContact CB-CE2 4.16Å; P253-Y299 HydrophobicContact CB-CG 4.04Å; P253-Y299 HydrophobicContact CG-CD1 4.02Å; P253-Y299 HydrophobicContact CG-CE1 3.83Å
254S80.4Confident78Confident36 Ų3691.4 Ų91.425%0.25247%0.467SS..Hα-helixtrans-53.3-39.7-16962.30000114.8D252 L257 K258D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 3.02Å; D252-S254 WeakPolarHBondContact OD1-CB 3.27Å; D252-S254 PolarHBondContact OD1-N 2.89Å; D252-S254 PolarHBondContact OD1-OG 3.33Å; D252-S254 VanDerWaalsContact OD1-OG 3.11Å; D252-S254 PolarHBondContact OD2-OG 2.88Å; S254-L257 PolarHBondContact O-N 3.26Å; S254-K258 VanDerWaalsContact O-CG 3.26Å; S254-K258 WeakPolarHBondContact O-CG 3.49Å; S254-K258 PolarHBondContact O-N 3.29Å
255D77.8Confident78Confident106 Ų10688.6 Ų88.657%0.56746%0.46SS*.Hα-helixtrans-71.7-40.4179.1-70.3-24.5000112.7P253 L257 K258 E259P253-D255 VanDerWaalsContact C-N 3.3Å; P253-D255 PolarHBondContact O-N 3.27Å; P253-D255 VanDerWaalsContact O-N 3.14Å; D255-L257 VanDerWaalsContact C-N 3.29Å; D255-L257 PolarHBondContact O-N 2.98Å; D255-K258 PolarHBondContact O-N 3.14Å; D255-K258 IonicContact OD1-NZ 2.77Å; D255-K258 PolarHBondContact OD1-NZ 3.17Å; D255-K258 VanDerWaalsContact OD1-NZ 3.13Å; D255-E259 PolarHBondContact O-N 3.25Å
256L81.8Confident78.1Confident84 Ų8490 Ų9044%0.4447%0.471SS..Hα-helixtrans-59.8-43.8173.5-177.8157.1000110.2P253 E259 F260 V298P253-L256 WeakPolarHBondContact O-CB 3.49Å; P253-L256 PolarHBondContact O-N 3.47Å; P253-L256 VanDerWaalsContact O-N 3.07Å; L256-E259 PolarHBondContact O-N 3.5Å; L256-F260 VanDerWaalsContact O-CB 3.28Å; L256-F260 WeakPolarHBondContact O-CB 2.92Å; L256-F260 PolarHBondContact O-N 2.84Å; L256-V298 HydrophobicContact CD2-CG1 3.72Å
257L85.5Confident78.5Confident16 Ų1689.3 Ų89.38%0.08447%0.469CS..Hα-helixtrans-68.1-38.4-179.9-60.1177.8000112.1P253 S254 D255 F260 I261 L269 V298 T314 L341P253-L257 HydrophobicContact CB-CD1 4.21Å; P253-L257 HydrophobicContact CB-CG 4.25Å; P253-L257 HydrophobicContact CG-CD1 4.03Å; P253-L257 WeakPolarHBondContact O-CG 3.43Å; P253-L257 PolarHBondContact O-N 3.45Å; S254-L257 PolarHBondContact O-N 3.26Å; D255-L257 VanDerWaalsContact C-N 3.29Å; D255-L257 PolarHBondContact O-N 2.98Å; L257-F260 PolarHBondContact O-N 3.24Å; L257-I261 WeakPolarHBondContact O-CD1 3.19Å; L257-I261 WeakPolarHBondContact O-CG1 3.26Å; L257-I261 PolarHBondContact O-N 3.18Å; L257-L269 HydrophobicContact CB-CD2 4.41Å; L257-L269 HydrophobicContact CD2-CD2 4.3Å; L257-V298 HydrophobicContact CD2-CG1 3.83Å; L257-T314 HydrophobicContact CD1-CG2 4.36Å; L257-T314 HydrophobicContact CD2-CG2 3.74Å; L257-L341 HydrophobicContact CD1-CD1 3.72Å
258K85.8Confident79.5Confident126 Ų12684.4 Ų84.455%0.54844%0.444SS..Hα-helixtrans-62.2-45.9174.4-74.4168.3-164.21550112.3S254 D255 F260 K262S254-K258 VanDerWaalsContact O-CG 3.26Å; S254-K258 WeakPolarHBondContact O-CG 3.49Å; S254-K258 PolarHBondContact O-N 3.29Å; D255-K258 PolarHBondContact O-N 3.14Å; D255-K258 IonicContact OD1-NZ 2.77Å; D255-K258 PolarHBondContact OD1-NZ 3.17Å; D255-K258 VanDerWaalsContact OD1-NZ 3.13Å; K258-F260 VanDerWaalsContact C-N 3.35Å; K258-K262 PolarHBondContact O-N 3.38Å
259E85.7Confident80.8Confident137 Ų13778.1 Ų78.164%0.6441%0.414SS*.Hα-helixtrans-63.3-43.8176.4-72.6-173.116300110.9D255 L256 I261 K262 E263D255-E259 PolarHBondContact O-N 3.25Å; L256-E259 PolarHBondContact O-N 3.5Å; E259-I261 PolarHBondContact O-N 3.02Å; E259-K262 WeakPolarHBondContact O-CB 3.37Å; E259-K262 PolarHBondContact O-N 2.78Å; E259-E263 PolarHBondContact O-N 3.33Å; E259-E263 VanDerWaalsContact O-N 3.09Å
260F87.1Confident82.4Confident46 Ų4675.5 Ų75.520%0.20240%0.397CS..Hα-helixtrans-61.3-44.5178.8-171-89.8000113L256 L257 K258 K262 E263 N264 L269 V298 Q316L256-F260 VanDerWaalsContact O-CB 3.28Å; L256-F260 WeakPolarHBondContact O-CB 2.92Å; L256-F260 PolarHBondContact O-N 2.84Å; L257-F260 PolarHBondContact O-N 3.24Å; K258-F260 VanDerWaalsContact C-N 3.35Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.9Å; F260-E263 PolarHBondContact O-N 2.89Å; F260-N264 HydrophobicContact CE1-CB 4.1Å; F260-N264 HydrophobicContact CZ-CB 4.34Å; F260-N264 WeakPolarHBondContact O-CB 3.27Å; F260-N264 PolarHBondContact O-N 3.15Å; F260-N264 PolarHBondContact O-ND2 3.14Å; F260-N264 VanDerWaalsContact O-ND2 3.15Å; F260-L269 HydrophobicContact CD1-CD1 4.19Å; F260-L269 HydrophobicContact CE1-CD1 4.26Å; F260-V298 HydrophobicContact CB-CG1 4.31Å; F260-V298 HydrophobicContact CD1-CG1 4.07Å; F260-V298 HydrophobicContact CD1-CG2 3.98Å; F260-V298 HydrophobicContact CD2-CG1 3.88Å; F260-V298 HydrophobicContact CD2-CG2 4.42Å; F260-V298 HydrophobicContact CE1-CG1 4.42Å; F260-V298 HydrophobicContact CE1-CG2 3.54Å; F260-V298 HydrophobicContact CE2-CG1 4.22Å; F260-V298 HydrophobicContact CE2-CG2 4.01Å; F260-V298 HydrophobicContact CG-CG1 3.8Å; F260-V298 HydrophobicContact CG-CG2 4.41Å; F260-V298 HydrophobicContact CZ-CG1 4.49Å; F260-V298 HydrophobicContact CZ-CG2 3.55Å; F260-Q316 HydrophobicContact CE1-CB 4.03Å; F260-Q316 HydrophobicContact CE1-CG 4.29Å; F260-Q316 HydrophobicContact CZ-CB 4.4Å
261I88.2Confident84Confident46 Ų4669.9 Ų69.924%0.23637%0.374CS..Hα-helixtrans-59.7-40.9176.1-69.8163.2000110.8L257 E259 E263 N264 L269 H342L257-I261 WeakPolarHBondContact O-CD1 3.19Å; L257-I261 WeakPolarHBondContact O-CG1 3.26Å; L257-I261 PolarHBondContact O-N 3.18Å; E259-I261 PolarHBondContact O-N 3.02Å; I261-E263 VanDerWaalsContact C-N 3.34Å; I261-E263 PolarHBondContact O-N 3.5Å; I261-N264 CarbonylContact O-C 3.59Å; I261-N264 PolarHBondContact O-N 3.13Å; I261-L269 HydrophobicContact CD1-CD2 3.83Å; I261-L269 HydrophobicContact CG1-CD2 3.7Å; I261-H342 HydrophobicContact CD1-CB 3.97Å; I261-H342 HydrophobicContact CG1-CB 4.16Å
262K87Confident85.6Confident181 Ų18164.4 Ų64.479%0.78733%0.329SS*.Hα-helixtrans-65.3-38.2179.8-173.4-174.4175.4-1730112.2K258 E259 F260K258-K262 PolarHBondContact O-N 3.38Å; E259-K262 WeakPolarHBondContact O-CB 3.37Å; E259-K262 PolarHBondContact O-N 2.78Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.9Å
263E87.6Confident86.6Confident151 Ų15162 Ų6271%0.70631%0.314SS*.Hα-helixtrans-79.3-27.6178.6-68-175.8167.100112.8E259 F260 I261 P265E259-E263 PolarHBondContact O-N 3.33Å; E259-E263 VanDerWaalsContact O-N 3.09Å; F260-E263 PolarHBondContact O-N 2.89Å; I261-E263 VanDerWaalsContact C-N 3.34Å; I261-E263 PolarHBondContact O-N 3.5Å; E263-P265 WeakPolarHBondContact O-CD 3.35Å
264N86.5Confident87.1Confident58 Ų5861.4 Ų61.431%0.3131%0.309SS..  trans-128.567.9-174.9-56-85.9000111.5F260 I261 N266 Q316F260-N264 HydrophobicContact CE1-CB 4.1Å; F260-N264 HydrophobicContact CZ-CB 4.34Å; F260-N264 WeakPolarHBondContact O-CB 3.27Å; F260-N264 PolarHBondContact O-N 3.15Å; F260-N264 PolarHBondContact O-ND2 3.14Å; F260-N264 VanDerWaalsContact O-ND2 3.15Å; I261-N264 CarbonylContact O-C 3.59Å; I261-N264 PolarHBondContact O-N 3.13Å; N264-N266 VanDerWaalsContact C-N 3.26Å; N264-N266 PolarHBondContact O-N 3.26Å; N264-Q316 PolarHBondContact O-NE2 3.03Å
265P84.7Confident87Confident66 Ų6664 Ų6443%0.42932%0.319SS..  trans-68.9-23.9-173.728.1-36000113.3E263 G267 G344E263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-G267 PolarHBondContact O-N 3.25Å; P265-G344 WeakPolarHBondContact O-CA 3.2Å
266N81.3Confident86.3Confident128 Ų12864.8 Ų64.868%0.68432%0.319SS*.SBendtrans-97.183.1-175.3-59.1-22.1000109.7N264N264-N266 VanDerWaalsContact C-N 3.26Å; N264-N266 PolarHBondContact O-N 3.26Å
267G88.3Confident85.5Confident8 Ų866.2 Ų66.28%0.08233%0.327CS..SBendtrans173.9154.5173.600000111.8P265 L317 G344P265-G267 PolarHBondContact O-N 3.25Å; G267-L317 WeakPolarHBondContact CA-O 3.22Å; G267-G344 PolarHBondContact O-N 3.25Å; G267-G344 VanDerWaalsContact O-N 3.13Å
268T93.3Very high84.7Confident20 Ų2066.6 Ų66.612%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-87.2117.5173.9-61.40000108.9Q316 L317 V324 I328 V340 H342 R343T268-Q316 CarbonylContact O-C 3.55Å; T268-Q316 WeakPolarHBondContact O-CA 3.41Å; T268-L317 PolarHBondContact N-O 3.43Å; T268-L317 PolarHBondContact O-N 2.86Å; T268-V324 HydrophobicContact CG2-CG1 4.44Å; T268-I328 HydrophobicContact CG2-CD1 4.01Å; T268-V340 HydrophobicContact CG2-CG1 3.83Å; T268-H342 CarbonylContact C-O 3.54Å; T268-H342 WeakPolarHBondContact CA-O 3.47Å; T268-R343 HydrophobicContact CG2-CG 4.39Å
269L93.4Very high83.5Confident3 Ų361.8 Ų61.82%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-93.3122.7174.4-169.174.6000108.6L257 F260 I261 V298 T314 V315 Q316 L341 H342L257-L269 HydrophobicContact CB-CD2 4.41Å; L257-L269 HydrophobicContact CD2-CD2 4.3Å; F260-L269 HydrophobicContact CD1-CD1 4.19Å; F260-L269 HydrophobicContact CE1-CD1 4.26Å; I261-L269 HydrophobicContact CD1-CD2 3.83Å; I261-L269 HydrophobicContact CG1-CD2 3.7Å; L269-V298 HydrophobicContact CD1-CG2 3.86Å; L269-T314 HydrophobicContact CD1-CG2 3.91Å; L269-T314 HydrophobicContact CD2-CG2 4.44Å; L269-T314 HydrophobicContact CG-CG2 4.01Å; L269-V315 WeakPolarHBondContact CA-O 3.5Å; L269-Q316 HydrophobicContact CD1-CB 4.29Å; L269-L341 HydrophobicContact CD2-CB 4.18Å; L269-L341 HydrophobicContact CD2-CD1 4.13Å; L269-L341 HydrophobicContact CG-CB 4.43Å; L269-L341 HydrophobicContact CG-CD1 4.46Å; L269-L341 PolarHBondContact O-N 3.16Å; L269-H342 HydrophobicContact CB-CB 4Å; L269-H342 PolarHBondContact N-O 3.48Å; L269-H342 PolarHBondContact O-N 3.27Å
270A92.9Very high82.7Confident0 Ų061.1 Ų61.10%031%0.314CS..EExtended strand (participates in β ladder)trans-137.4143.9-179.900000111.5T314 V315 L317 V338 E339 V340A270-T314 CarbonylContact O-C 3.52Å; A270-T314 WeakPolarHBondContact O-CA 3.46Å; A270-V315 PolarHBondContact N-O 2.88Å; A270-V315 PolarHBondContact O-N 3.21Å; A270-L317 HydrophobicContact CB-CD1 4.26Å; A270-V338 HydrophobicContact CB-CG1 3.84Å; A270-E339 CarbonylContact C-O 3.59Å; A270-E339 VanDerWaalsContact CA-O 3.23Å; A270-E339 WeakPolarHBondContact CA-O 3.23Å; A270-V340 HydrophobicContact CB-CG2 4.37Å
271T92.7Very high82.2Confident11 Ų1163.7 Ų63.77%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-97.3124.4170.8-60.30000109.3H273 T312 T314 V338 E339 L341T271-H273 WeakPolarHBondContact CG2-NE2 3.38Å; T271-T312 HydrophobicContact CG2-CG2 4.23Å; T271-T314 PolarHBondContact OG1-OG1 3.29Å; T271-T314 VanDerWaalsContact OG1-OG1 3.05Å; T271-V338 WeakPolarHBondContact O-CA 3.39Å; T271-E339 PolarHBondContact N-O 3.36Å; T271-E339 PolarHBondContact O-N 3.43Å; T271-L341 WeakPolarHBondContact OG1-CD1 3.44Å
272L91.9Very high82.1Confident1 Ų164.5 Ų64.51%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-95.6121175.9-47.9-171.8000108.2F274 V284 T312 L313 V315 I331 V336 E337 V338L272-F274 HydrophobicContact CB-CE2 3.81Å; L272-F274 HydrophobicContact CB-CZ 4.23Å; L272-F274 HydrophobicContact CD1-CZ 4.34Å; L272-V284 HydrophobicContact CD1-CG2 4.27Å; L272-T312 CarbonylContact O-C 3.54Å; L272-T312 VanDerWaalsContact O-CA 3.24Å; L272-T312 WeakPolarHBondContact O-CA 3.29Å; L272-L313 HydrophobicContact CB-CB 4.38Å; L272-L313 WeakPolarHBondContact CB-O 3.42Å; L272-L313 WeakPolarHBondContact CG-O 3.23Å; L272-L313 PolarHBondContact N-O 3.34Å; L272-L313 PolarHBondContact O-N 3.11Å; L272-V315 HydrophobicContact CD1-CG1 4.36Å; L272-V315 HydrophobicContact CD1-CG2 4.13Å; L272-V315 HydrophobicContact CD2-CG2 4.27Å; L272-V315 HydrophobicContact CG-CG2 4.08Å; L272-I331 HydrophobicContact CD1-CD1 4.33Å; L272-I331 HydrophobicContact CD1-CG2 4.47Å; L272-I331 HydrophobicContact CD2-CD1 4.11Å; L272-I331 HydrophobicContact CD2-CG2 4.04Å; L272-V336 HydrophobicContact CB-CG1 3.82Å; L272-E337 CarbonylContact C-O 3.49Å; L272-E337 WeakPolarHBondContact CA-O 3.48Å; L272-V338 HydrophobicContact CD2-CG1 4.05Å; L272-V338 HydrophobicContact CD2-CG2 3.97Å
273H89.6Confident82.2Confident49 Ų4956 Ų5623%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-101.6113.8177.6-58.7-106.6000109.5T271 T312 E337 E339T271-H273 WeakPolarHBondContact CG2-NE2 3.38Å; H273-T312 WeakPolarHBondContact ND1-CG2 3.27Å; H273-E337 HydrophobicContact CB-CB 4.13Å; H273-E337 PolarHBondContact N-O 3.08Å; H273-E337 PolarHBondContact O-N 3.24Å; H273-E339 IonicContact NE2-OE2 3.13Å
274F87Confident82.2Confident17 Ų1750.1 Ų50.18%0.07527%0.272CS..EExtended strand (participates in β ladder)trans-92.7108.2176.1-62.7-91.2000108.7L272 A279 V283 I302 F310 G311 L313 V336L272-F274 HydrophobicContact CB-CE2 3.81Å; L272-F274 HydrophobicContact CB-CZ 4.23Å; L272-F274 HydrophobicContact CD1-CZ 4.34Å; F274-A279 HydrophobicContact CB-CB 3.98Å; F274-V283 HydrophobicContact CE1-CB 4.41Å; F274-V283 HydrophobicContact CE1-CG2 4.32Å; F274-I302 HydrophobicContact CD2-CD1 4.14Å; F274-F310 WeakPolarHBondContact O-CA 3.39Å; F274-G311 PolarHBondContact N-O 3.19Å; F274-G311 PolarHBondContact O-N 3.31Å; F274-L313 HydrophobicContact CE2-CB 3.79Å; F274-V336 HydrophobicContact CD1-CG1 4.4Å; F274-V336 HydrophobicContact CD1-CG2 3.86Å; F274-V336 HydrophobicContact CE1-CG1 4.25Å; F274-V336 HydrophobicContact CE1-CG2 3.79Å; F274-V336 HydrophobicContact CZ-CG1 4.35Å
275L77.9Confident82.4Confident90 Ų9049.9 Ų49.947%0.47128%0.276SS..  trans-84.6165.7173-62.4173000110.7D277 N278 E337L275-D277 PolarHBondContact O-N 2.97Å; L275-N278 PolarHBondContact O-N 3.16Å; L275-E337 HydrophobicContact CD1-CG 4.24Å
276E64.9Low82.7Confident122 Ų12249 Ų4957%0.5727%0.265SS*.THydrogen-bonded Turntrans-47.8127.1179.4-67.6-177176.300110.5N308E276-N308 HydrophobicContact CB-CB 4.31Å; E276-N308 HydrophobicContact CG-CB 4.25Å
277D65.2Low83.2Confident115 Ų11542.9 Ų42.962%0.61523%0.233SC*.THydrogen-bonded Turntrans98.6-26-178.8-53.7-21.7000117.6L275 N308L275-D277 PolarHBondContact O-N 2.97Å; D277-N308 PolarHBondContact OD1-ND2 3.34Å
278N68.1Low83.4Confident24 Ų2446.5 Ų46.513%0.12825%0.25CC..THydrogen-bonded Turntrans-103-10.3-172.6-62.9-29.1000115.5L275 N280 E281 Q335L275-N278 PolarHBondContact O-N 3.16Å; N278-N280 PolarHBondContact O-N 3.21Å; N278-N280 VanDerWaalsContact O-N 3.09Å; N278-E281 WeakPolarHBondContact O-CB 3.41Å; N278-E281 PolarHBondContact O-N 3.38Å; N278-Q335 WeakPolarHBondContact ND2-CB 3.44Å; N278-Q335 PolarHBondContact ND2-O 3.06Å; N278-Q335 VanDerWaalsContact ND2-O 3.08Å; N278-Q335 PolarHBondContact ND2-OE1 3.45Å
279A60.4Low83.3Confident25 Ų2554.8 Ų54.821%0.20728%0.279CS..THydrogen-bonded Turntrans-66.3-12.6-17700000114.8F274 S309F274-A279 HydrophobicContact CB-CB 3.98Å; A279-S309 VanDerWaalsContact CB-CB 3.48Å; A279-S309 WeakPolarHBondContact CB-O 3.46Å
280N67.8Low83.3Confident123 Ų12359.4 Ų59.466%0.65830%0.303SS*.THydrogen-bonded Turntrans-91.8-9.5173.9-67.8-33000113N278N278-N280 PolarHBondContact O-N 3.21Å; N278-N280 VanDerWaalsContact O-N 3.09Å
281E77.9Confident83.3Confident99 Ų9961.1 Ų61.146%0.46331%0.311SS..SBendtrans-77.3134.2176.7-73.8-66.5156.800110.3N278 V283N278-E281 WeakPolarHBondContact O-CB 3.41Å; N278-E281 PolarHBondContact O-N 3.38Å; E281-V283 HydrophobicContact CB-CG2 3.97Å; E281-V283 PolarHBondContact O-N 3.17Å
282P86.5Confident83.4Confident64 Ų6465 Ų6542%0.41634%0.336SS..  trans-80.351.9-176.435-37.1000111.9V284 S285 Q286P282-V284 PolarHBondContact O-N 3.19Å; P282-S285 WeakPolarHBondContact O-CA 3.48Å; P282-S285 WeakPolarHBondContact O-CB 3.4Å; P282-S285 PolarHBondContact O-N 3.03Å; P282-Q286 HydrophobicContact CG-CG 4.44Å; P282-Q286 PolarHBondContact O-N 3.33Å
283V87.7Confident83.4Confident1 Ų165.2 Ų65.21%0.00634%0.337CS..Hα-helixtrans-52.6-48.8-171.3179.30000111.9F274 E281 S285 Q286 V287 I331 Q334 V336F274-V283 HydrophobicContact CE1-CB 4.41Å; F274-V283 HydrophobicContact CE1-CG2 4.32Å; E281-V283 HydrophobicContact CB-CG2 3.97Å; E281-V283 PolarHBondContact O-N 3.17Å; V283-S285 VanDerWaalsContact C-N 3.3Å; V283-S285 PolarHBondContact O-N 3.22Å; V283-Q286 WeakPolarHBondContact O-CB 3.38Å; V283-Q286 PolarHBondContact O-N 3.44Å; V283-V287 WeakPolarHBondContact O-CG2 3.47Å; V283-V287 PolarHBondContact O-N 3.47Å; V283-I331 HydrophobicContact CG1-CB 4.38Å; V283-I331 HydrophobicContact CG1-CG1 4.08Å; V283-I331 HydrophobicContact CG1-CG2 4.08Å; V283-Q334 HydrophobicContact CG1-CB 4.33Å; V283-Q334 HydrophobicContact CG1-CG 4.39Å; V283-Q334 HydrophobicContact CG2-CB 4.07Å; V283-Q334 HydrophobicContact CG2-CG 4.46Å; V283-V336 HydrophobicContact CG1-CG2 4.44Å; V283-V336 HydrophobicContact CG2-CG2 4.03Å
284V88.8Confident83.6Confident28 Ų2868.2 Ų68.217%0.1736%0.355CS..Hα-helixtrans-58.2-42.3177.91770000111.8L272 P282 Q286 V287 I288 I295 L313L272-V284 HydrophobicContact CD1-CG2 4.27Å; P282-V284 PolarHBondContact O-N 3.19Å; V284-Q286 VanDerWaalsContact C-N 3.33Å; V284-Q286 PolarHBondContact O-N 3.17Å; V284-V287 PolarHBondContact O-N 3.39Å; V284-I288 HydrophobicContact CG1-CD1 4.05Å; V284-I288 WeakPolarHBondContact O-CG1 3.26Å; V284-I288 PolarHBondContact O-N 3.44Å; V284-I288 VanDerWaalsContact O-N 3.17Å; V284-I295 HydrophobicContact CG1-CB 4.39Å; V284-I295 HydrophobicContact CG1-CD1 4.08Å; V284-I295 HydrophobicContact CG1-CG2 4.07Å; V284-L313 HydrophobicContact CG2-CD2 3.86Å
285S90.1Very high83.9Confident54 Ų5468.7 Ų68.738%0.37836%0.359SS..Hα-helixtrans-69.4-31.6178.3-67.20000112.5P282 V283 R289P282-S285 WeakPolarHBondContact O-CA 3.48Å; P282-S285 WeakPolarHBondContact O-CB 3.4Å; P282-S285 PolarHBondContact O-N 3.03Å; V283-S285 VanDerWaalsContact C-N 3.3Å; V283-S285 PolarHBondContact O-N 3.22Å; S285-R289 VanDerWaalsContact O-CG 3.29Å; S285-R289 WeakPolarHBondContact O-CG 3.43Å; S285-R289 PolarHBondContact O-N 3Å; S285-R289 PolarHBondContact O-NE 2.87Å
286Q90.9Very high84.6Confident46 Ų4667.2 Ų67.222%0.21536%0.355CS..Hα-helixtrans-70.2-40.7175.7-67.5176.84.300111P282 V283 V284 R289 N290 F330P282-Q286 HydrophobicContact CG-CG 4.44Å; P282-Q286 PolarHBondContact O-N 3.33Å; V283-Q286 WeakPolarHBondContact O-CB 3.38Å; V283-Q286 PolarHBondContact O-N 3.44Å; V284-Q286 VanDerWaalsContact C-N 3.33Å; V284-Q286 PolarHBondContact O-N 3.17Å; Q286-R289 PolarHBondContact O-N 2.97Å; Q286-N290 WeakPolarHBondContact O-CB 3.37Å; Q286-N290 VanDerWaalsContact O-CG 3.31Å; Q286-N290 PolarHBondContact O-N 3.05Å; Q286-N290 PolarHBondContact O-ND2 3.43Å; Q286-F330 HydrophobicContact CB-CE1 3.8Å; Q286-F330 HydrophobicContact CB-CZ 4.06Å
287V91.7Very high85.8Confident0 Ų066.7 Ų66.70%036%0.355CS..Hα-helixtrans-59.6-50.9176.21770000111.1V283 V284 R289 N290 F291 V293 I295 A327 F330 I331V283-V287 WeakPolarHBondContact O-CG2 3.47Å; V283-V287 PolarHBondContact O-N 3.47Å; V284-V287 PolarHBondContact O-N 3.39Å; V287-R289 PolarHBondContact O-N 3.24Å; V287-N290 PolarHBondContact O-N 3.11Å; V287-N290 VanDerWaalsContact O-N 3.15Å; V287-F291 HydrophobicContact CG1-CD2 4.15Å; V287-F291 PolarHBondContact O-N 3.45Å; V287-V293 HydrophobicContact CG1-CG2 3.77Å; V287-I295 HydrophobicContact CB-CD1 3.92Å; V287-I295 HydrophobicContact CG1-CD1 3.67Å; V287-A327 HydrophobicContact CG1-CB 3.58Å; V287-F330 HydrophobicContact CG2-CD1 3.71Å; V287-F330 HydrophobicContact CG2-CE1 4.18Å; V287-I331 HydrophobicContact CG2-CD1 3.95Å; V287-I331 HydrophobicContact CG2-CG1 3.44Å; V287-I331 VanDerWaalsContact CG2-CG1 3.44Å
288I91.8Very high87Confident85 Ų8562.5 Ų62.544%0.43633%0.334SS..Hα-helixtrans-59.8-30.1179.9-65.3166.7000111.9V284 I295V284-I288 HydrophobicContact CG1-CD1 4.05Å; V284-I288 WeakPolarHBondContact O-CG1 3.26Å; V284-I288 PolarHBondContact O-N 3.44Å; V284-I288 VanDerWaalsContact O-N 3.17Å; I288-I295 HydrophobicContact CD1-CB 4.29Å; I288-I295 HydrophobicContact CG1-CB 4.37Å; I288-I295 HydrophobicContact CG1-CD1 4.02Å; I288-I295 HydrophobicContact CG1-CG1 4.1Å
289R92.4Very high87.8Confident194 Ų19463 Ų6373%0.73233%0.334SS*.Hα-helixtrans-79.4-34.8178.1-73.5-179.8-139.7-167.73.7113.5S285 Q286 V287S285-R289 VanDerWaalsContact O-CG 3.29Å; S285-R289 WeakPolarHBondContact O-CG 3.43Å; S285-R289 PolarHBondContact O-N 3Å; S285-R289 PolarHBondContact O-NE 2.87Å; Q286-R289 PolarHBondContact O-N 2.97Å; V287-R289 PolarHBondContact O-N 3.24Å
290N92.7Very high89.1Confident100 Ų10063.3 Ų63.354%0.53534%0.34SS..Hα-helixtrans-93.6-25.3-171.2-68-21.5000112.8Q286 V287Q286-N290 WeakPolarHBondContact O-CB 3.37Å; Q286-N290 VanDerWaalsContact O-CG 3.31Å; Q286-N290 PolarHBondContact O-N 3.05Å; Q286-N290 PolarHBondContact O-ND2 3.43Å; V287-N290 PolarHBondContact O-N 3.11Å; V287-N290 VanDerWaalsContact O-N 3.15Å
291F94.3Very high89.8Confident35 Ų3560 Ų6015%0.15432%0.322CS..SBendtrans-127.3141-175.7-54.4-81000110.6V287 V293 E326 A327 F330V287-F291 HydrophobicContact CG1-CD2 4.15Å; V287-F291 PolarHBondContact O-N 3.45Å; F291-V293 HydrophobicContact CB-CG1 4.3Å; F291-V293 HydrophobicContact CB-CG2 4.13Å; F291-V293 PolarHBondContact O-N 3.11Å; F291-E326 HydrophobicContact CD1-CB 3.79Å; F291-E326 HydrophobicContact CE1-CB 3.66Å; F291-A327 HydrophobicContact CB-CB 4.21Å; F291-A327 HydrophobicContact CD2-CB 4.17Å; F291-A327 HydrophobicContact CG-CB 4.14Å; F291-F330 HydrophobicContact CE2-CB 3.46Å; F291-F330 VanDerWaalsContact CE2-CB 3.46Å; F291-F330 HydrophobicContact CE2-CD1 4.02Å; F291-F330 HydrophobicContact CE2-CD2 4.04Å; F291-F330 AromaticContact CE2-CG 3.56Å; F291-F330 HydrophobicContact CE2-CG 3.56Å; F291-F330 HydrophobicContact CZ-CB 3.68Å; F291-F330 HydrophobicContact CZ-CD2 4.24Å; F291-F330 HydrophobicContact CZ-CG 4.04Å
292P93Very high89.9Confident93 Ų9359.4 Ų59.460%0.60432%0.321SS*.SBendtrans-77.862.7177.935.1-37.2000110.8K323P292-K323 HydrophobicContact CG-CB 4.17Å; P292-K323 HydrophobicContact CG-CD 4.25Å; P292-K323 HydrophobicContact CG-CG 3.81Å
293V93.7Very high89.5Confident5 Ų560.9 Ų60.93%0.0332%0.323CS..  trans-123.2147.3178.5-59.30000110V287 F291 I295 T318 K323 V324 A327V287-V293 HydrophobicContact CG1-CG2 3.77Å; F291-V293 HydrophobicContact CB-CG1 4.3Å; F291-V293 HydrophobicContact CB-CG2 4.13Å; F291-V293 PolarHBondContact O-N 3.11Å; V293-I295 HydrophobicContact CG2-CG1 4.38Å; V293-T318 CarbonylContact C-O 3.59Å; V293-T318 WeakPolarHBondContact CA-O 3.25Å; V293-K323 HydrophobicContact CG1-CB 4.06Å; V293-V324 HydrophobicContact CG1-CG2 4.09Å; V293-A327 HydrophobicContact CG1-CB 4.25Å; V293-A327 HydrophobicContact CG2-CB 4.04Å
294N92.9Very high88.7Confident113 Ų11371.1 Ų71.160%0.60436%0.361SS*.EExtended strand (participates in β ladder)trans-97.5139.3167.4-54.2-64.7000109.1L317 T318N294-L317 WeakPolarHBondContact O-CA 3.39Å; N294-T318 WeakPolarHBondContact CB-OG1 3.41Å; N294-T318 PolarHBondContact N-O 3.21Å; N294-T318 PolarHBondContact O-N 3.21Å
295I93Very high87.6Confident27 Ų2771.3 Ų71.314%0.13837%0.366CS..EExtended strand (participates in β ladder)trans-119.8121.7176.2-57.8-176.7000108.6V284 V287 I288 V293 V315 Q316 L317V284-I295 HydrophobicContact CG1-CB 4.39Å; V284-I295 HydrophobicContact CG1-CD1 4.08Å; V284-I295 HydrophobicContact CG1-CG2 4.07Å; V287-I295 HydrophobicContact CB-CD1 3.92Å; V287-I295 HydrophobicContact CG1-CD1 3.67Å; I288-I295 HydrophobicContact CD1-CB 4.29Å; I288-I295 HydrophobicContact CG1-CB 4.37Å; I288-I295 HydrophobicContact CG1-CD1 4.02Å; I288-I295 HydrophobicContact CG1-CG1 4.1Å; V293-I295 HydrophobicContact CG2-CG1 4.38Å; I295-V315 HydrophobicContact CG2-CB 3.7Å; I295-V315 HydrophobicContact CG2-CG1 3.89Å; I295-V315 HydrophobicContact CG2-CG2 4.19Å; I295-Q316 WeakPolarHBondContact CA-O 3.49Å; I295-L317 HydrophobicContact CD1-CD2 4.25Å; I295-L317 HydrophobicContact CG1-CD2 4.21Å; I295-L317 HydrophobicContact CG1-CG 4.33Å
296S92.1Very high86.2Confident58 Ų5876.1 Ų76.141%0.40639%0.393SS..EExtended strand (participates in β ladder)trans-105.8127.2170.4-63.40000109.3V315 Q316S296-V315 CarbonylContact O-C 3.53Å; S296-V315 VanDerWaalsContact O-CA 3.25Å; S296-V315 WeakPolarHBondContact O-CA 3.3Å; S296-Q316 PolarHBondContact N-O 3.46Å; S296-Q316 PolarHBondContact O-N 3.03Å
297I91.5Very high84.9Confident111 Ų11177.5 Ų77.557%0.56942%0.419SS*.EExtended strand (participates in β ladder)trans-80.7120.4174.3-61.9171.9000108.2L313 V315I297-L313 HydrophobicContact CD1-CD1 4.47Å; I297-L313 HydrophobicContact CD1-CD2 4.36Å; I297-L313 HydrophobicContact CG1-CD1 4.46Å; I297-L313 HydrophobicContact CG1-CD2 4.3Å; I297-L313 HydrophobicContact CG2-CD1 3.57Å; I297-L313 HydrophobicContact CG2-CG 4.3Å; I297-V315 HydrophobicContact CG1-CG1 4.31Å
298V88.8Confident83.8Confident27 Ų2779.7 Ų79.716%0.16443%0.431CS..EExtended strand (participates in β ladder)trans-96-47.2-178-178.10000110.5L256 L257 F260 L269 T314 Q316L256-V298 HydrophobicContact CD2-CG1 3.72Å; L257-V298 HydrophobicContact CD2-CG1 3.83Å; F260-V298 HydrophobicContact CB-CG1 4.31Å; F260-V298 HydrophobicContact CD1-CG1 4.07Å; F260-V298 HydrophobicContact CD1-CG2 3.98Å; F260-V298 HydrophobicContact CD2-CG1 3.88Å; F260-V298 HydrophobicContact CD2-CG2 4.42Å; F260-V298 HydrophobicContact CE1-CG1 4.42Å; F260-V298 HydrophobicContact CE1-CG2 3.54Å; F260-V298 HydrophobicContact CE2-CG1 4.22Å; F260-V298 HydrophobicContact CE2-CG2 4.01Å; F260-V298 HydrophobicContact CG-CG1 3.8Å; F260-V298 HydrophobicContact CG-CG2 4.41Å; F260-V298 HydrophobicContact CZ-CG1 4.49Å; F260-V298 HydrophobicContact CZ-CG2 3.55Å; L269-V298 HydrophobicContact CD1-CG2 3.86Å; V298-T314 PolarHBondContact N-O 2.79Å; V298-Q316 HydrophobicContact CG2-CB 4.24Å
299Y86.3Confident82.9Confident36 Ų3676.2 Ų76.214%0.14141%0.414CS..EExtended strand (participates in β ladder)trans-151.1149.6-177.6178.3-100.9000109P249 K250 P253 L313 T314P249-Y299 HydrophobicContact CB-CE2 3.72Å; P249-Y299 WeakPolarHBondContact CB-OH 3.03Å; K250-Y299 PolarHBondContact O-OH 2.9Å; P253-Y299 HydrophobicContact CB-CD1 3.88Å; P253-Y299 HydrophobicContact CB-CD2 4.19Å; P253-Y299 HydrophobicContact CB-CE1 3.85Å; P253-Y299 HydrophobicContact CB-CE2 4.16Å; P253-Y299 HydrophobicContact CB-CG 4.04Å; P253-Y299 HydrophobicContact CG-CD1 4.02Å; P253-Y299 HydrophobicContact CG-CE1 3.83Å; Y299-L313 CarbonylContact O-C 3.54Å; Y299-T314 PolarHBondContact N-O 3.49Å; Y299-T314 PolarHBondContact O-N 3.28Å
300G86.6Confident82.4Confident31 Ų3170.4 Ų70.432%0.3239%0.394SS..EExtended strand (participates in β ladder)trans-162.4140.7173.900000111.8T312G300-T312 CarbonylContact C-O 3.5Å; G300-T312 VanDerWaalsContact CA-O 3.22Å; G300-T312 WeakPolarHBondContact CA-O 3.48Å
301N83.4Confident82Confident52 Ų5266.3 Ų66.328%0.27838%0.376SS..EExtended strand (participates in β ladder)trans-131.8113.6170-175.629.6000108.1P249 E303 G311 T312P249-N301 HydrophobicContact CB-CB 4.42Å; P249-N301 HydrophobicContact CG-CB 4.25Å; N301-E303 PolarHBondContact ND2-OE1 3.32Å; N301-G311 CarbonylContact O-C 3.5Å; N301-G311 WeakPolarHBondContact O-CA 3.46Å; N301-T312 PolarHBondContact N-O 2.92Å; N301-T312 PolarHBondContact O-N 3.43Å
302I80.6Confident81.8Confident87 Ų8766.5 Ų66.545%0.44638%0.38SS..EExtended strand (participates in β ladder)trans-118.5118.5176.6-57.6-65000107.7F274F274-I302 HydrophobicContact CD2-CD1 4.14Å
303E76.3Confident81.7Confident96 Ų9663.2 Ų63.245%0.44936%0.358SS..EExtended strand (participates in β ladder)trans-109.7159.1179.7-69.2-179.1-159.200110.5N301 S309 F310N301-E303 PolarHBondContact ND2-OE1 3.32Å; E303-S309 CarbonylContact O-C 3.35Å; E303-S309 VanDerWaalsContact O-CA 3.25Å; E303-S309 WeakPolarHBondContact O-CA 3.19Å; E303-F310 HydrophobicContact CB-CE1 3.83Å; E303-F310 HydrophobicContact CB-CE2 4.06Å; E303-F310 HydrophobicContact CB-CZ 3.59Å; E303-F310 PolarHBondContact N-O 3.08Å; E303-F310 PolarHBondContact O-N 2.9Å; E303-F310 VanDerWaalsContact O-O 3.11Å
304R72.9Confident81.6Confident216 Ų21663.1 Ų63.182%0.81536%0.357SS*.EExtended strand (participates in β ladder)trans-112.9119.7173.6-76.1-174.4172.5-174.2-0.5109.8N308R304-N308 WeakPolarHBondContact CA-O 3.45Å
305A64.4Low81.6Confident32 Ų3257.8 Ų57.826%0.26433%0.328SS..EExtended strand (participates in β ladder)trans-113.4126.5167.100000109.1G307 N308 F310A305-G307 PolarHBondContact O-N 2.91Å; A305-N308 PolarHBondContact N-O 2.84Å; A305-N308 PolarHBondContact O-N 3.4Å; A305-F310 HydrophobicContact CB-CD1 3.89Å; A305-F310 HydrophobicContact CB-CE1 3.37Å; A305-F310 HydrophobicContact CB-CZ 4.36Å
306T61.4Low81.7Confident154 Ų15457.1 Ų57.195%0.94533%0.325SS*.THydrogen-bonded Turntrans25.762.7170.144.40000116.4
307G64Low81.8Confident75 Ų7554.4 Ų54.477%0.77331%0.306SS*.THydrogen-bonded Turntrans98.8-20.4173.900000115.5A305A305-G307 PolarHBondContact O-N 2.91Å
308N67.3Low81.9Confident47 Ų4751 Ų5125%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-115.2144.6-177.3-73-10.6000111.2E276 D277 R304 A305E276-N308 HydrophobicContact CB-CB 4.31Å; E276-N308 HydrophobicContact CG-CB 4.25Å; D277-N308 PolarHBondContact OD1-ND2 3.34Å; R304-N308 WeakPolarHBondContact CA-O 3.45Å; A305-N308 PolarHBondContact N-O 2.84Å; A305-N308 PolarHBondContact O-N 3.4Å
309S73.4Confident82Confident12 Ų1252 Ų528%0.08431%0.305CS..EExtended strand (participates in β ladder)trans-94.3139.5168.8-52.20000107.7A279 E303A279-S309 VanDerWaalsContact CB-CB 3.48Å; A279-S309 WeakPolarHBondContact CB-O 3.46Å; E303-S309 CarbonylContact O-C 3.35Å; E303-S309 VanDerWaalsContact O-CA 3.25Å; E303-S309 WeakPolarHBondContact O-CA 3.19Å
310F81.5Confident82.3Confident71 Ų7156 Ų5631%0.31133%0.329SS..EExtended strand (participates in β ladder)trans-141.2157.7175.567.2-81.4000108.3F274 E303 A305F274-F310 WeakPolarHBondContact O-CA 3.39Å; E303-F310 HydrophobicContact CB-CE1 3.83Å; E303-F310 HydrophobicContact CB-CE2 4.06Å; E303-F310 HydrophobicContact CB-CZ 3.59Å; E303-F310 PolarHBondContact N-O 3.08Å; E303-F310 PolarHBondContact O-N 2.9Å; E303-F310 VanDerWaalsContact O-O 3.11Å; A305-F310 HydrophobicContact CB-CD1 3.89Å; A305-F310 HydrophobicContact CB-CE1 3.37Å; A305-F310 HydrophobicContact CB-CZ 4.36Å
311G85.2Confident82.5Confident15 Ų1558.1 Ų58.116%0.15534%0.344CS..EExtended strand (participates in β ladder)trans155.1-166.717600000113.9F274 N301F274-G311 PolarHBondContact N-O 3.19Å; F274-G311 PolarHBondContact O-N 3.31Å; N301-G311 CarbonylContact O-C 3.5Å; N301-G311 WeakPolarHBondContact O-CA 3.46Å
312T88.8Confident82.9Confident39 Ų3961.6 Ų61.624%0.23936%0.362CS..EExtended strand (participates in β ladder)trans-127146.2-176.560.60000111.6T271 L272 H273 G300 N301T271-T312 HydrophobicContact CG2-CG2 4.23Å; L272-T312 CarbonylContact O-C 3.54Å; L272-T312 VanDerWaalsContact O-CA 3.24Å; L272-T312 WeakPolarHBondContact O-CA 3.29Å; H273-T312 WeakPolarHBondContact ND1-CG2 3.27Å; G300-T312 CarbonylContact C-O 3.5Å; G300-T312 VanDerWaalsContact CA-O 3.22Å; G300-T312 WeakPolarHBondContact CA-O 3.48Å; N301-T312 PolarHBondContact N-O 2.92Å; N301-T312 PolarHBondContact O-N 3.43Å
313L90.8Very high83.6Confident24 Ų2460.5 Ų60.513%0.12635%0.354CS..EExtended strand (participates in β ladder)trans-132.4111.1172.8-16872.8000108.8L272 F274 V284 I297 Y299 V315L272-L313 HydrophobicContact CB-CB 4.38Å; L272-L313 WeakPolarHBondContact CB-O 3.42Å; L272-L313 WeakPolarHBondContact CG-O 3.23Å; L272-L313 PolarHBondContact N-O 3.34Å; L272-L313 PolarHBondContact O-N 3.11Å; F274-L313 HydrophobicContact CE2-CB 3.79Å; V284-L313 HydrophobicContact CG2-CD2 3.86Å; I297-L313 HydrophobicContact CD1-CD1 4.47Å; I297-L313 HydrophobicContact CD1-CD2 4.36Å; I297-L313 HydrophobicContact CG1-CD1 4.46Å; I297-L313 HydrophobicContact CG1-CD2 4.3Å; I297-L313 HydrophobicContact CG2-CD1 3.57Å; I297-L313 HydrophobicContact CG2-CG 4.3Å; Y299-L313 CarbonylContact O-C 3.54Å; L313-V315 HydrophobicContact CD2-CG1 3.81Å; L313-V315 HydrophobicContact CG-CG1 3.82Å
314T92Very high84.4Confident3 Ų356.2 Ų56.22%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-86.8123.3172.4-510000109.7L257 L269 A270 T271 V298 Y299 L341L257-T314 HydrophobicContact CD1-CG2 4.36Å; L257-T314 HydrophobicContact CD2-CG2 3.74Å; L269-T314 HydrophobicContact CD1-CG2 3.91Å; L269-T314 HydrophobicContact CD2-CG2 4.44Å; L269-T314 HydrophobicContact CG-CG2 4.01Å; A270-T314 CarbonylContact O-C 3.52Å; A270-T314 WeakPolarHBondContact O-CA 3.46Å; T271-T314 PolarHBondContact OG1-OG1 3.29Å; T271-T314 VanDerWaalsContact OG1-OG1 3.05Å; V298-T314 PolarHBondContact N-O 2.79Å; Y299-T314 PolarHBondContact N-O 3.49Å; Y299-T314 PolarHBondContact O-N 3.28Å; T314-L341 HydrophobicContact CG2-CD1 4.15Å
315V93.9Very high85.4Confident0 Ų049.7 Ų49.70%031%0.314CS..EExtended strand (participates in β ladder)trans-127.9149.4-175.5-59.50000111.4L269 A270 L272 I295 S296 I297 L313 L317L269-V315 WeakPolarHBondContact CA-O 3.5Å; A270-V315 PolarHBondContact N-O 2.88Å; A270-V315 PolarHBondContact O-N 3.21Å; L272-V315 HydrophobicContact CD1-CG1 4.36Å; L272-V315 HydrophobicContact CD1-CG2 4.13Å; L272-V315 HydrophobicContact CD2-CG2 4.27Å; L272-V315 HydrophobicContact CG-CG2 4.08Å; I295-V315 HydrophobicContact CG2-CB 3.7Å; I295-V315 HydrophobicContact CG2-CG1 3.89Å; I295-V315 HydrophobicContact CG2-CG2 4.19Å; S296-V315 CarbonylContact O-C 3.53Å; S296-V315 VanDerWaalsContact O-CA 3.25Å; S296-V315 WeakPolarHBondContact O-CA 3.3Å; I297-V315 HydrophobicContact CG1-CG1 4.31Å; L313-V315 HydrophobicContact CD2-CG1 3.81Å; L313-V315 HydrophobicContact CG-CG1 3.82Å; V315-L317 HydrophobicContact CG2-CD1 3.85Å; V315-L317 HydrophobicContact CG2-CG 4.44Å
316Q94.8Very high86.8Confident14 Ų1452 Ų527%0.06532%0.319CS..EExtended strand (participates in β ladder)trans-102121.1167.1-171.7-17125.600109.1F260 N264 T268 L269 I295 S296 V298 T318F260-Q316 HydrophobicContact CE1-CB 4.03Å; F260-Q316 HydrophobicContact CE1-CG 4.29Å; F260-Q316 HydrophobicContact CZ-CB 4.4Å; N264-Q316 PolarHBondContact O-NE2 3.03Å; T268-Q316 CarbonylContact O-C 3.55Å; T268-Q316 WeakPolarHBondContact O-CA 3.41Å; L269-Q316 HydrophobicContact CD1-CB 4.29Å; I295-Q316 WeakPolarHBondContact CA-O 3.49Å; S296-Q316 PolarHBondContact N-O 3.46Å; S296-Q316 PolarHBondContact O-N 3.03Å; V298-Q316 HydrophobicContact CG2-CB 4.24Å; Q316-T318 HydrophobicContact CG-CG2 4.22Å
317L94.6Very high88.4Confident1 Ų144.6 Ų44.61%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-97.1129.6171.5-59.9102.4000109.9G267 T268 A270 N294 I295 V315 V324 A327G267-L317 WeakPolarHBondContact CA-O 3.22Å; T268-L317 PolarHBondContact N-O 3.43Å; T268-L317 PolarHBondContact O-N 2.86Å; A270-L317 HydrophobicContact CB-CD1 4.26Å; N294-L317 WeakPolarHBondContact O-CA 3.39Å; I295-L317 HydrophobicContact CD1-CD2 4.25Å; I295-L317 HydrophobicContact CG1-CD2 4.21Å; I295-L317 HydrophobicContact CG1-CG 4.33Å; V315-L317 HydrophobicContact CG2-CD1 3.85Å; V315-L317 HydrophobicContact CG2-CG 4.44Å; L317-V324 HydrophobicContact CB-CG1 3.88Å; L317-V324 HydrophobicContact CB-CG2 4.44Å; L317-A327 HydrophobicContact CD2-CB 4.18Å
318T93.5Very high89.8Confident39 Ų3941.5 Ų41.524%0.23924%0.239CC..EExtended strand (participates in β ladder)trans-129.9140.2175.256.70000110.1V293 N294 Q316V293-T318 CarbonylContact C-O 3.59Å; V293-T318 WeakPolarHBondContact CA-O 3.25Å; N294-T318 WeakPolarHBondContact CB-OG1 3.41Å; N294-T318 PolarHBondContact N-O 3.21Å; N294-T318 PolarHBondContact O-N 3.21Å; Q316-T318 HydrophobicContact CG-CG2 4.22Å
319G91.1Very high91Very high47 Ų4741.8 Ų41.849%0.48525%0.248SC..SBendtrans156.6-172.6-174.300000110.6A321G319-A321 PolarHBondContact O-N 2.85Å
320D92Very high92Very high121 Ų12143 Ų4365%0.64725%0.252SS*.  trans-60.8136171.5-67.2-32000109.9D322 K323 V324D320-D322 VanDerWaalsContact C-N 3.28Å; D320-D322 PolarHBondContact O-N 3.32Å; D320-K323 HydrophobicContact CB-CB 4.29Å; D320-K323 HydrophobicContact CB-CG 4.07Å; D320-K323 WeakPolarHBondContact O-CA 3.35Å; D320-K323 WeakPolarHBondContact O-CB 3.35Å; D320-K323 PolarHBondContact O-N 3.47Å; D320-V324 PolarHBondContact O-N 2.91Å
321A90.7Very high92.5Very high75 Ų7539.7 Ų39.762%0.6224%0.237SC*.Hα-helixtrans-53.8-43.5-173.100000112.9G319 K323 V324 E325G319-A321 PolarHBondContact O-N 2.85Å; A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 3.14Å; A321-V324 PolarHBondContact O-N 3.41Å; A321-E325 PolarHBondContact O-N 2.98Å
322D92.8Very high92.8Very high125 Ų12544 Ų4467%0.66825%0.254SS*.Hα-helixtrans-62.5-35.5177.4-62.5-22.7000112D320 E325 E326D320-D322 VanDerWaalsContact C-N 3.28Å; D320-D322 PolarHBondContact O-N 3.32Å; D322-E325 PolarHBondContact O-N 3.37Å; D322-E326 VanDerWaalsContact O-CG 3.31Å; D322-E326 WeakPolarHBondContact O-CG 3.34Å; D322-E326 PolarHBondContact O-N 3.3Å
323K93.7Very high92.9Very high65 Ų6545.8 Ų45.828%0.28327%0.267SS..Hα-helixtrans-76.6-30.7179.1-61-52.8-174.9-166.10112.8P292 V293 D320 A321 E326 A327P292-K323 HydrophobicContact CG-CB 4.17Å; P292-K323 HydrophobicContact CG-CD 4.25Å; P292-K323 HydrophobicContact CG-CG 3.81Å; V293-K323 HydrophobicContact CG1-CB 4.06Å; D320-K323 HydrophobicContact CB-CB 4.29Å; D320-K323 HydrophobicContact CB-CG 4.07Å; D320-K323 WeakPolarHBondContact O-CA 3.35Å; D320-K323 WeakPolarHBondContact O-CB 3.35Å; D320-K323 PolarHBondContact O-N 3.47Å; A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 3.14Å; K323-E326 WeakPolarHBondContact CD-OE2 3.46Å; K323-E326 IonicContact NZ-OE1 3.51Å; K323-E326 PolarHBondContact NZ-OE1 3.46Å; K323-E326 IonicContact NZ-OE2 2.94Å; K323-E326 PolarHBondContact NZ-OE2 3.01Å; K323-A327 VanDerWaalsContact O-CB 3.26Å; K323-A327 WeakPolarHBondContact O-CB 3.48Å; K323-A327 PolarHBondContact O-N 3.01Å
324V93.1Very high92.7Very high6 Ų647.5 Ų47.54%0.03628%0.275CS..Hα-helixtrans-66.8-43.2170.81750000110.6T268 V293 L317 D320 A321 A327 I328T268-V324 HydrophobicContact CG2-CG1 4.44Å; V293-V324 HydrophobicContact CG1-CG2 4.09Å; L317-V324 HydrophobicContact CB-CG1 3.88Å; L317-V324 HydrophobicContact CB-CG2 4.44Å; D320-V324 PolarHBondContact O-N 2.91Å; A321-V324 PolarHBondContact O-N 3.41Å; V324-A327 WeakPolarHBondContact O-CB 3.29Å; V324-A327 PolarHBondContact O-N 3.17Å; V324-I328 HydrophobicContact CG1-CD1 4.01Å; V324-I328 WeakPolarHBondContact O-CG1 3.45Å; V324-I328 PolarHBondContact O-N 3.46Å
325E93.8Very high92.3Very high79 Ų7954 Ų5437%0.36931%0.305SS..Hα-helixtrans-65.5-43.3175.6-69.3-71.7179.800112.2A321 D322 A327 I328 A329 R343A321-E325 PolarHBondContact O-N 2.98Å; D322-E325 PolarHBondContact O-N 3.37Å; E325-A327 VanDerWaalsContact C-N 3.28Å; E325-A327 PolarHBondContact O-N 3.37Å; E325-I328 PolarHBondContact O-N 3.09Å; E325-A329 WeakPolarHBondContact O-CB 3.23Å; E325-A329 PolarHBondContact O-N 2.62Å; E325-R343 IonicContact OE1-CZ 2.77Å; E325-R343 IonicContact OE1-NH1 3.5Å; E325-R343 PolarHBondContact OE1-NH1 3.16Å; E325-R343 IonicContact OE1-NH2 2.75Å; E325-R343 PolarHBondContact OE1-NH2 3.3Å; E325-R343 IonicContact OE2-NH2 3.41Å
326E94.8Very high92Very high79 Ų7954 Ų5437%0.36931%0.305SS..Hα-helixtrans-58.1-41.1172.8-75.9173.7-151.900111.8F291 D322 K323 F330F291-E326 HydrophobicContact CD1-CB 3.79Å; F291-E326 HydrophobicContact CE1-CB 3.66Å; D322-E326 VanDerWaalsContact O-CG 3.31Å; D322-E326 WeakPolarHBondContact O-CG 3.34Å; D322-E326 PolarHBondContact O-N 3.3Å; K323-E326 WeakPolarHBondContact CD-OE2 3.46Å; K323-E326 IonicContact NZ-OE1 3.51Å; K323-E326 PolarHBondContact NZ-OE1 3.46Å; K323-E326 IonicContact NZ-OE2 2.94Å; K323-E326 PolarHBondContact NZ-OE2 3.01Å; E326-F330 PolarHBondContact O-N 2.85Å
327A94.1Very high91.8Very high0 Ų058.9 Ų58.90%033%0.328CS..Hα-helixtrans-65-43.7176.500000112.4V287 F291 V293 L317 K323 V324 E325 F330 I331V287-A327 HydrophobicContact CG1-CB 3.58Å; F291-A327 HydrophobicContact CB-CB 4.21Å; F291-A327 HydrophobicContact CD2-CB 4.17Å; F291-A327 HydrophobicContact CG-CB 4.14Å; V293-A327 HydrophobicContact CG1-CB 4.25Å; V293-A327 HydrophobicContact CG2-CB 4.04Å; L317-A327 HydrophobicContact CD2-CB 4.18Å; K323-A327 VanDerWaalsContact O-CB 3.26Å; K323-A327 WeakPolarHBondContact O-CB 3.48Å; K323-A327 PolarHBondContact O-N 3.01Å; V324-A327 WeakPolarHBondContact O-CB 3.29Å; V324-A327 PolarHBondContact O-N 3.17Å; E325-A327 VanDerWaalsContact C-N 3.28Å; E325-A327 PolarHBondContact O-N 3.37Å; A327-F330 WeakPolarHBondContact O-CB 3.34Å; A327-F330 PolarHBondContact O-N 3.06Å; A327-I331 WeakPolarHBondContact O-CG1 3.33Å; A327-I331 PolarHBondContact O-N 3.34Å
328I93.5Very high91.7Very high9 Ų960 Ų605%0.04634%0.335CS..Hα-helixtrans-62.3-47.9177-71.6167.9000110.5T268 V324 E325 F330 I331 E332 V338 V340T268-I328 HydrophobicContact CG2-CD1 4.01Å; V324-I328 HydrophobicContact CG1-CD1 4.01Å; V324-I328 WeakPolarHBondContact O-CG1 3.45Å; V324-I328 PolarHBondContact O-N 3.46Å; E325-I328 PolarHBondContact O-N 3.09Å; I328-F330 PolarHBondContact O-N 3.35Å; I328-I331 WeakPolarHBondContact O-CB 3.3Å; I328-I331 PolarHBondContact O-N 2.78Å; I328-E332 PolarHBondContact O-N 3.48Å; I328-V338 HydrophobicContact CG2-CB 4.46Å; I328-V338 HydrophobicContact CG2-CG1 4.09Å; I328-V340 HydrophobicContact CD1-CG2 4.42Å
329A93.8Very high91.7Very high53 Ų5363.2 Ų63.244%0.43835%0.347SS..Hα-helixtrans-60.4-35.5177.700000112.2E325 S333E325-A329 WeakPolarHBondContact O-CB 3.23Å; E325-A329 PolarHBondContact O-N 2.62Å; A329-S333 PolarHBondContact O-N 2.93Å
330F93.6Very high91.7Very high38 Ų3863.6 Ų63.617%0.16734%0.34CS..Hα-helixtrans-64.8-42.4173.1178.2-94.8000112.1Q286 V287 F291 E326 A327 I328 E332 S333 Q334Q286-F330 HydrophobicContact CB-CE1 3.8Å; Q286-F330 HydrophobicContact CB-CZ 4.06Å; V287-F330 HydrophobicContact CG2-CD1 3.71Å; V287-F330 HydrophobicContact CG2-CE1 4.18Å; F291-F330 HydrophobicContact CE2-CB 3.46Å; F291-F330 VanDerWaalsContact CE2-CB 3.46Å; F291-F330 HydrophobicContact CE2-CD1 4.02Å; F291-F330 HydrophobicContact CE2-CD2 4.04Å; F291-F330 AromaticContact CE2-CG 3.56Å; F291-F330 HydrophobicContact CE2-CG 3.56Å; F291-F330 HydrophobicContact CZ-CB 3.68Å; F291-F330 HydrophobicContact CZ-CD2 4.24Å; F291-F330 HydrophobicContact CZ-CG 4.04Å; E326-F330 PolarHBondContact O-N 2.85Å; A327-F330 WeakPolarHBondContact O-CB 3.34Å; A327-F330 PolarHBondContact O-N 3.06Å; I328-F330 PolarHBondContact O-N 3.35Å; F330-E332 PolarHBondContact O-N 2.89Å; F330-S333 WeakPolarHBondContact O-CB 3.39Å; F330-S333 PolarHBondContact O-N 3.48Å; F330-S333 PolarHBondContact O-OG 3.09Å; F330-Q334 HydrophobicContact CD1-CG 4.43Å; F330-Q334 HydrophobicContact CE1-CG 3.98Å; F330-Q334 HydrophobicContact CZ-CG 4.12Å; F330-Q334 WeakPolarHBondContact O-CG 3.28Å; F330-Q334 PolarHBondContact O-N 3.49Å
331I91.7Very high91.5Very high1 Ų161 Ų611%0.00533%0.326CS..Hα-helixtrans-60.4-46.7177.2-64.2167.1000110.5L272 V283 V287 A327 I328 S333 Q334 V336 V338L272-I331 HydrophobicContact CD1-CD1 4.33Å; L272-I331 HydrophobicContact CD1-CG2 4.47Å; L272-I331 HydrophobicContact CD2-CD1 4.11Å; L272-I331 HydrophobicContact CD2-CG2 4.04Å; V283-I331 HydrophobicContact CG1-CB 4.38Å; V283-I331 HydrophobicContact CG1-CG1 4.08Å; V283-I331 HydrophobicContact CG1-CG2 4.08Å; V287-I331 HydrophobicContact CG2-CD1 3.95Å; V287-I331 HydrophobicContact CG2-CG1 3.44Å; V287-I331 VanDerWaalsContact CG2-CG1 3.44Å; A327-I331 WeakPolarHBondContact O-CG1 3.33Å; A327-I331 PolarHBondContact O-N 3.34Å; I328-I331 WeakPolarHBondContact O-CB 3.3Å; I328-I331 PolarHBondContact O-N 2.78Å; I331-S333 VanDerWaalsContact C-N 3.27Å; I331-S333 PolarHBondContact O-N 2.92Å; I331-Q334 WeakPolarHBondContact O-CB 3.49Å; I331-Q334 PolarHBondContact O-N 3.25Å; I331-V336 HydrophobicContact CG2-CB 3.71Å; I331-V336 HydrophobicContact CG2-CG1 3.68Å; I331-V338 HydrophobicContact CB-CG2 4.03Å; I331-V338 HydrophobicContact CG2-CG2 3.55Å
332E91.5Very high91.5Very high107 Ų10760.1 Ų60.150%0.531%0.308SS..Hα-helixtrans-59.6-37.8176.1-67.5179.1154.800112I328 F330 Q334 Q335 V336 V338I328-E332 PolarHBondContact O-N 3.48Å; F330-E332 PolarHBondContact O-N 2.89Å; E332-Q334 PolarHBondContact O-N 2.94Å; E332-Q335 PolarHBondContact O-N 3.41Å; E332-V336 WeakPolarHBondContact CA-O 3.43Å; E332-V338 HydrophobicContact CG-CB 4.1Å; E332-V338 HydrophobicContact CG-CG2 3.7Å
333S90.3Very high91.3Very high75 Ų7561 Ų6152%0.52430%0.303SS..Hα-helixtrans-64.3-22.9175.784.20000113.9A329 F330 I331 Q335A329-S333 PolarHBondContact O-N 2.93Å; F330-S333 WeakPolarHBondContact O-CB 3.39Å; F330-S333 PolarHBondContact O-N 3.48Å; F330-S333 PolarHBondContact O-OG 3.09Å; I331-S333 VanDerWaalsContact C-N 3.27Å; I331-S333 PolarHBondContact O-N 2.92Å; S333-Q335 PolarHBondContact O-N 3.22Å
334Q86.7Confident90.6Very high60 Ų6062 Ų6228%0.2833%0.331SS..THydrogen-bonded Turntrans-85.717.9174-59.5-55.3-64.500112.4V283 F330 I331 E332 V336V283-Q334 HydrophobicContact CG1-CB 4.33Å; V283-Q334 HydrophobicContact CG1-CG 4.39Å; V283-Q334 HydrophobicContact CG2-CB 4.07Å; V283-Q334 HydrophobicContact CG2-CG 4.46Å; F330-Q334 HydrophobicContact CD1-CG 4.43Å; F330-Q334 HydrophobicContact CE1-CG 3.98Å; F330-Q334 HydrophobicContact CZ-CG 4.12Å; F330-Q334 WeakPolarHBondContact O-CG 3.28Å; F330-Q334 PolarHBondContact O-N 3.49Å; I331-Q334 WeakPolarHBondContact O-CB 3.49Å; I331-Q334 PolarHBondContact O-N 3.25Å; E332-Q334 PolarHBondContact O-N 2.94Å; Q334-V336 PolarHBondContact O-N 2.96Å
335Q84.7Confident90.5Very high139 Ų13964.8 Ų64.865%0.6535%0.346SS*.THydrogen-bonded Turntrans57.534.7-179.5-62177.3-10.200113N278 E332 S333N278-Q335 WeakPolarHBondContact ND2-CB 3.44Å; N278-Q335 PolarHBondContact ND2-O 3.06Å; N278-Q335 VanDerWaalsContact ND2-O 3.08Å; N278-Q335 PolarHBondContact ND2-OE1 3.45Å; E332-Q335 PolarHBondContact O-N 3.41Å; S333-Q335 PolarHBondContact O-N 3.22Å
336V87.8Confident90.3Very high2 Ų264.1 Ų64.11%0.01234%0.344CS..  trans-106121.2168.9176.20000106.9L272 F274 V283 I331 E332 Q334L272-V336 HydrophobicContact CB-CG1 3.82Å; F274-V336 HydrophobicContact CD1-CG1 4.4Å; F274-V336 HydrophobicContact CD1-CG2 3.86Å; F274-V336 HydrophobicContact CE1-CG1 4.25Å; F274-V336 HydrophobicContact CE1-CG2 3.79Å; F274-V336 HydrophobicContact CZ-CG1 4.35Å; V283-V336 HydrophobicContact CG1-CG2 4.44Å; V283-V336 HydrophobicContact CG2-CG2 4.03Å; I331-V336 HydrophobicContact CG2-CB 3.71Å; I331-V336 HydrophobicContact CG2-CG1 3.68Å; E332-V336 WeakPolarHBondContact CA-O 3.43Å; Q334-V336 PolarHBondContact O-N 2.96Å
337E89.9Confident90.1Very high116 Ų11663.2 Ų63.254%0.54234%0.343SS..EExtended strand (participates in β ladder)trans-73.3138.7176.8-53.9-178.715600109.4L272 H273 L275L272-E337 CarbonylContact C-O 3.49Å; L272-E337 WeakPolarHBondContact CA-O 3.48Å; H273-E337 HydrophobicContact CB-CB 4.13Å; H273-E337 PolarHBondContact N-O 3.08Å; H273-E337 PolarHBondContact O-N 3.24Å; L275-E337 HydrophobicContact CD1-CG 4.24Å
338V92.5Very high89.8Confident24 Ų2466.9 Ų66.915%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-119.2120.7-178.1-1740000109.9A270 T271 L272 I328 I331 E332 V340A270-V338 HydrophobicContact CB-CG1 3.84Å; T271-V338 WeakPolarHBondContact O-CA 3.39Å; L272-V338 HydrophobicContact CD2-CG1 4.05Å; L272-V338 HydrophobicContact CD2-CG2 3.97Å; I328-V338 HydrophobicContact CG2-CB 4.46Å; I328-V338 HydrophobicContact CG2-CG1 4.09Å; I331-V338 HydrophobicContact CB-CG2 4.03Å; I331-V338 HydrophobicContact CG2-CG2 3.55Å; E332-V338 HydrophobicContact CG-CB 4.1Å; E332-V338 HydrophobicContact CG-CG2 3.7Å; V338-V340 HydrophobicContact CG1-CG2 4.45Å
339E93Very high89.6Confident107 Ų10770.6 Ų70.650%0.538%0.383SS..EExtended strand (participates in β ladder)trans-106.6113.5171.2-174-174.9-172.400109.6A270 T271 H273 L341A270-E339 CarbonylContact C-O 3.59Å; A270-E339 VanDerWaalsContact CA-O 3.23Å; A270-E339 WeakPolarHBondContact CA-O 3.23Å; T271-E339 PolarHBondContact N-O 3.36Å; T271-E339 PolarHBondContact O-N 3.43Å; H273-E339 IonicContact NE2-OE2 3.13Å; E339-L341 HydrophobicContact CG-CD2 4.15Å; E339-L341 PolarHBondContact O-N 3.03Å
340V91.9Very high89.3Confident54 Ų5471.7 Ų71.733%0.32738%0.379SS..EExtended strand (participates in β ladder)trans-83.5114.3177.6-178.60000110.2T268 A270 I328 V338 R343T268-V340 HydrophobicContact CG2-CG1 3.83Å; A270-V340 HydrophobicContact CB-CG2 4.37Å; I328-V340 HydrophobicContact CD1-CG2 4.42Å; V338-V340 HydrophobicContact CG1-CG2 4.45Å; V340-R343 HydrophobicContact CG1-CG 3.83Å
341L88.1Confident89Confident68 Ų6874.1 Ų74.136%0.35639%0.394SS..EExtended strand (participates in β ladder)trans-88.1-32.9-178.7-58.6-178.9000112.7L257 L269 T271 T314 E339L257-L341 HydrophobicContact CD1-CD1 3.72Å; L269-L341 HydrophobicContact CD2-CB 4.18Å; L269-L341 HydrophobicContact CD2-CD1 4.13Å; L269-L341 HydrophobicContact CG-CB 4.43Å; L269-L341 HydrophobicContact CG-CD1 4.46Å; L269-L341 PolarHBondContact O-N 3.16Å; T271-L341 WeakPolarHBondContact OG1-CD1 3.44Å; T314-L341 HydrophobicContact CG2-CD1 4.15Å; E339-L341 HydrophobicContact CG-CD2 4.15Å; E339-L341 PolarHBondContact O-N 3.03Å
342H89.4Confident88.8Confident56 Ų5679.8 Ų79.826%0.25942%0.424SS..EExtended strand (participates in β ladder)trans-153.3144.9-179.3-178.467.1000111.3I261 T268 L269I261-H342 HydrophobicContact CD1-CB 3.97Å; I261-H342 HydrophobicContact CG1-CB 4.16Å; T268-H342 CarbonylContact C-O 3.54Å; T268-H342 WeakPolarHBondContact CA-O 3.47Å; L269-H342 HydrophobicContact CB-CB 4Å; L269-H342 PolarHBondContact N-O 3.48Å; L269-H342 PolarHBondContact O-N 3.27Å
343R88.7Confident88.6Confident144 Ų14477.5 Ų77.554%0.54342%0.418SS..  trans-121.5116.5170-66.7-179.6174.2-134.6-10.6107.9T268 E325 V340T268-R343 HydrophobicContact CG2-CG 4.39Å; E325-R343 IonicContact OE1-CZ 2.77Å; E325-R343 IonicContact OE1-NH1 3.5Å; E325-R343 PolarHBondContact OE1-NH1 3.16Å; E325-R343 IonicContact OE1-NH2 2.75Å; E325-R343 PolarHBondContact OE1-NH2 3.3Å; E325-R343 IonicContact OE2-NH2 3.41Å; V340-R343 HydrophobicContact CG1-CG 3.83Å
344G79.9Confident88.4Confident85 Ų8577.7 Ų77.788%0.87641%0.408SS*.  trans-77.60171.400000114P265 G267P265-G344 WeakPolarHBondContact O-CA 3.2Å; G267-G344 PolarHBondContact O-N 3.25Å; G267-G344 VanDerWaalsContact O-N 3.13Å

Retrieved 344 of 344 residues in 69.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).