A0A3B3UK29_9TELE Loading...

ATP synthase F(1) complex subunit delta, mitochondrial

Subunit delta, of the mitochondrial membrane ATP synthase complex (F(1)F(0) ATP synthase or Complex V) that produces ATP from ADP in the presence of a proton gradient across the membrane which is generated by electron transport complexes of the respiratory chain. ATP synthase complex consist of a soluble F(1) head domain - the catalytic core - and a membrane F(1) domain - the membrane proton channel. These two domains are linked by a central stalk rotating inside the F(1) region and a stationary peripheral stalk. During catalysis, ATP synthesis in the catalytic domain of F(1) is coupled via a rotary mechanism of the central stalk subunits to proton translocation. In vivo, can only synthesize ATP although its ATP hydrolase activity can be activated artificially in vitro. With the central stalk subunit gamma, is essential for the biogenesis of F(1) catalytic part of the ATP synthase complex namely in the formation of F1 assembly intermediate.

AlphaFold DB , UniProt , Accession A0A3B3UK29, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 160 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low55.6Low250 Ų250176.6 Ų176.6100%1.23288%0.88SS**  0111.30-157.3158.2165.800107.4
2M47Very low55.7Low182 Ų182171.5 Ų171.590%0.89787%0.869SS**  trans-65.7141.8-167.8-81.4154.568.300113.8
3A49.8Very low56.4Low101 Ų101165.5 Ų165.584%0.83586%0.861SS**  trans-130.992.115400000108.4
4A52.3Low56.9Low79 Ų79165.9 Ų165.965%0.65386%0.864SS**PPolyproline II helixtrans-80.7117.9176.700000109.4
5R56.6Low57.2Low239 Ų239170.8 Ų170.890%0.90287%0.866SS**PPolyproline II helixtrans-78.5122.3173.7-72.2-178.2-177.8-168.80.1109.4
6F55.8Low57.6Low187 Ų187171.8 Ų171.882%0.8287%0.867SS**PPolyproline II helixtrans-67.1132.8170.3-80.4-97.4000110.9
7L59.8Low57.9Low169 Ų169166.8 Ų166.889%0.88586%0.858SS**  trans-115.9103.4153.2-93104.3000108.5R9L7-R9 PolarHBondContact O-N 3.04Å
8R60.6Low58.1Low231 Ų231170.8 Ų170.887%0.87286%0.86SS**  trans-75.4115.8165.3-76.9-178.2173.7-166.6-2107.9A10R8-A10 PolarHBondContact O-N 3.36Å
9R60.3Low58.7Low246 Ų246167.6 Ų167.693%0.92886%0.856SS**  trans-71.7110.5173.1-132.7175.9-179.9-175.1-1.2108L7 L11L7-R9 PolarHBondContact O-N 3.04Å; R9-L11 PolarHBondContact O-N 3.43Å
10A62.8Low59.2Low98 Ų98170.6 Ų170.681%0.8186%0.857SS**PPolyproline II helixtrans-74.6118.4173.200000109R8R8-A10 PolarHBondContact O-N 3.36Å
11L64.2Low59.7Low161 Ų161167.1 Ų167.184%0.84386%0.855SS**PPolyproline II helixtrans-78.4135.8168.2-71.8166000108.5R9 A13R9-L11 PolarHBondContact O-N 3.43Å; L11-A13 PolarHBondContact O-N 2.74Å
12P56.6Low60.7Low115 Ų115163.9 Ų163.975%0.74784%0.837SS**PPolyproline II helixtrans-66.7123.7175.927.2-31000108.9L14P12-L14 PolarHBondContact O-N 3.34Å; P12-L14 VanDerWaalsContact O-N 3.08Å
13A65Low61.3Low94 Ų94159.4 Ų159.478%0.77783%0.829SS**  trans-66.8107.2168.300000107.8L11 R15L11-A13 PolarHBondContact O-N 2.74Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3Å
14L62.5Low61.7Low170 Ų170159.1 Ų159.189%0.8983%0.827SS**  trans-60.698.6168.4-86158.2000107.6P12 Q16P12-L14 PolarHBondContact O-N 3.34Å; P12-L14 VanDerWaalsContact O-N 3.08Å; L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Q16 PolarHBondContact O-N 3.4Å
15R62.4Low61.8Low240 Ų240161.2 Ų161.291%0.90684%0.837SS**  trans-65.495.9165.9-85-173.9170.6-172.3-2106.8A13 A17A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3Å; R15-A17 PolarHBondContact O-N 3.28Å
16Q63.2Low61.9Low187 Ų187152.2 Ų152.287%0.87482%0.818SS**  trans-70.386.8169.6-149166.214.400107L14 R18L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Q16 PolarHBondContact O-N 3.4Å; Q16-R18 PolarHBondContact O-N 2.86Å
17A62.5Low62.2Low87 Ų87148.7 Ų148.772%0.71981%0.812SS**  trans-62.4120.7169.600000106.7R15 S19R15-A17 PolarHBondContact O-N 3.28Å; A17-S19 PolarHBondContact O-N 3.01Å
18R62.4Low62.7Low238 Ų238145 Ų14590%0.89880%0.798SS**  trans-64.7101.4170-66.9-178178.9-178.6-1.2106.8Q16Q16-R18 PolarHBondContact O-N 2.86Å
19S67.9Low63.4Low110 Ų110140 Ų14077%0.76978%0.784SS**PPolyproline II helixtrans-73.5129.7166.658.90000107.8A17A17-S19 PolarHBondContact O-N 3.01Å
20Y68.9Low64.9Low227 Ų227128.4 Ų128.489%0.8974%0.74SS**PPolyproline II helixtrans-62.3142.2163.9-74.9-90.2000108.2E22Y20-E22 PolarHBondContact O-N 3.47Å
21A71.3Confident66.5Low99 Ų99125.8 Ų125.882%0.81872%0.716SS**PPolyproline II helixtrans-57.6131.6173.600000108.9A23A21-A23 PolarHBondContact O-N 3.35Å
22E62Low68Low181 Ų181118.1 Ų118.185%0.84668%0.676SS**PPolyproline II helixtrans-62.1127.4173.1-163.3161.4159.100108Y20 A24Y20-E22 PolarHBondContact O-N 3.47Å; E22-A24 PolarHBondContact O-N 3.45Å
23A60Low70Confident89 Ų89114.2 Ų114.274%0.73665%0.65SS**PPolyproline II helixtrans-59.3131.9174.100000108A21 S25A21-A23 PolarHBondContact O-N 3.35Å; A23-S25 PolarHBondContact O-N 3.41Å; A23-S25 VanDerWaalsContact O-N 3.12Å
24A59.3Low71.6Confident94 Ų94109.7 Ų109.778%0.77761%0.613SS**PPolyproline II helixtrans-50.4123.8179.200000109.7E22 G26E22-A24 PolarHBondContact O-N 3.45Å; A24-G26 VanDerWaalsContact C-N 3.3Å; A24-G26 PolarHBondContact O-N 2.91Å
25S52.8Low73.3Confident124 Ų124102.3 Ų102.387%0.86758%0.576SS**SBendtrans-77.181.3-177.242.20000110.2A23A23-S25 PolarHBondContact O-N 3.41Å; A23-S25 VanDerWaalsContact O-N 3.12Å
26G59.2Low75Confident50 Ų5091.5 Ų91.552%0.51554%0.537SS..SBendtrans161.9143.417400000110A24 P28A24-G26 VanDerWaalsContact C-N 3.3Å; A24-G26 PolarHBondContact O-N 2.91Å; G26-P28 VanDerWaalsContact O-CD 3.24Å; G26-P28 WeakPolarHBondContact O-CD 3.5Å; G26-P28 VanDerWaalsContact O-N 3.1Å
27V62Low76.6Confident113 Ų11388.1 Ų88.169%0.68553%0.532SS*.  trans-61.2115.7163-176.50000105H29V27-H29 PolarHBondContact O-N 3.43Å; V27-H29 PolarHBondContact O-ND1 3.47Å
28P70.3Confident78.1Confident90 Ų9090 Ų9058%0.58453%0.534SS*.  trans-59.5127.4178.226.7-33000106.6G26 P63G26-P28 VanDerWaalsContact O-CD 3.24Å; G26-P28 WeakPolarHBondContact O-CD 3.5Å; G26-P28 VanDerWaalsContact O-N 3.1Å; P28-P63 HydrophobicContact CB-CB 3.72Å; P28-P63 HydrophobicContact CB-CG 4.43Å; P28-P63 HydrophobicContact CG-CB 4.22Å; P28-P63 WeakPolarHBondContact O-CG 3.36Å
29H75.9Confident79.7Confident127 Ų12783.7 Ų83.759%0.58852%0.515SS*.  trans-119.8144.5-177.444.3-84.5000108.8V27 S46V27-H29 PolarHBondContact O-N 3.43Å; V27-H29 PolarHBondContact O-ND1 3.47Å; H29-S46 WeakPolarHBondContact CB-OG 3.22Å
30M92.4Very high81.1Confident2 Ų282.3 Ų82.31%0.0150%0.502CS..EExtended strand (participates in β ladder)trans-104.3136.4171.851.2178.1-79.100109F32 V47 V50 I61 P63 S102 V104M30-F32 HydrophobicContact CE-CB 4.21Å; M30-F32 HydrophobicContact CE-CD2 4.08Å; M30-F32 HydrophobicContact CE-CG 4.44Å; M30-F32 PolarHBondContact O-N 3.44Å; M30-V47 WeakPolarHBondContact CG-O 3.43Å; M30-V47 PolarHBondContact O-N 2.95Å; M30-V50 HydrophobicContact CE-CB 4.45Å; M30-V50 HydrophobicContact CE-CG2 3.79Å; M30-I61 HydrophobicContact CE-CG2 4.13Å; M30-I61 HydrophobicContact SD-CG2 4.14Å; M30-P63 HydrophobicContact CB-CG 4.48Å; M30-P63 HydrophobicContact CG-CG 4.3Å; M30-S102 WeakPolarHBondContact CA-O 3.49Å; M30-S102 WeakPolarHBondContact CB-O 3.46Å; M30-V104 HydrophobicContact CE-CB 3.54Å; M30-V104 HydrophobicContact CE-CG1 3.99Å; M30-V104 HydrophobicContact CE-CG2 3.36Å; M30-V104 HydrophobicContact SD-CG2 4.45Å
31S95Very high82.4Confident43 Ų4373.1 Ų73.130%0.30147%0.467SS..EExtended strand (participates in β ladder)trans-79.8112.8171.6176.70000108.1E44 S102 S103 V104S31-E44 WeakPolarHBondContact OG-CA 3.4Å; S31-S102 PolarHBondContact N-O 3.03Å; S31-S103 CarbonylContact O-C 3.59Å; S31-S103 WeakPolarHBondContact O-CA 3.25Å; S31-V104 PolarHBondContact O-N 3.48Å
32F97.2Very high83.6Confident0 Ų069.7 Ų69.70%043%0.434CS..EExtended strand (participates in β ladder)trans-110.2124.9-175.5-177.2-120.2000111.6M30 F34 F42 E44 A45 V47 V50 V79 V104 L106M30-F32 HydrophobicContact CE-CB 4.21Å; M30-F32 HydrophobicContact CE-CD2 4.08Å; M30-F32 HydrophobicContact CE-CG 4.44Å; M30-F32 PolarHBondContact O-N 3.44Å; F32-F34 HydrophobicContact CD1-CB 4.4Å; F32-F34 HydrophobicContact CE1-CB 3.57Å; F32-F34 HydrophobicContact CE1-CG 4.43Å; F32-F34 HydrophobicContact CE2-CB 4.44Å; F32-F34 HydrophobicContact CZ-CB 3.61Å; F32-F34 HydrophobicContact CZ-CG 4.3Å; F32-F42 HydrophobicContact CD1-CB 3.9Å; F32-F42 HydrophobicContact CD1-CD1 4.34Å; F32-F42 HydrophobicContact CD1-CD2 4.31Å; F32-F42 AromaticContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CE1-CB 4.26Å; F32-F42 HydrophobicContact CE1-CD2 4.02Å; F32-F42 HydrophobicContact CE1-CG 4.11Å; F32-E44 PolarHBondContact O-N 2.97Å; F32-A45 PolarHBondContact N-O 3.46Å; F32-A45 PolarHBondContact O-N 2.94Å; F32-V47 HydrophobicContact CB-CB 3.99Å; F32-V47 HydrophobicContact CB-CG2 3.75Å; F32-V47 HydrophobicContact CD1-CG2 3.91Å; F32-V47 HydrophobicContact CG-CG2 4.22Å; F32-V50 HydrophobicContact CD1-CG2 4.11Å; F32-V50 HydrophobicContact CD2-CG2 3.84Å; F32-V50 HydrophobicContact CE1-CG1 4.49Å; F32-V50 HydrophobicContact CE1-CG2 4.06Å; F32-V50 HydrophobicContact CE2-CB 4.33Å; F32-V50 HydrophobicContact CE2-CG1 3.91Å; F32-V50 HydrophobicContact CE2-CG2 3.8Å; F32-V50 HydrophobicContact CG-CG2 3.98Å; F32-V50 HydrophobicContact CZ-CB 4.46Å; F32-V50 HydrophobicContact CZ-CG1 3.75Å; F32-V50 HydrophobicContact CZ-CG2 3.89Å; F32-V79 HydrophobicContact CD1-CG1 4.31Å; F32-V79 HydrophobicContact CE1-CG1 4.16Å; F32-V79 HydrophobicContact CE1-CG2 3.78Å; F32-V79 HydrophobicContact CZ-CG2 4.28Å; F32-V104 WeakPolarHBondContact CA-O 3.49Å; F32-V104 HydrophobicContact CD2-CB 4.04Å; F32-V104 HydrophobicContact CD2-CG1 3.89Å; F32-V104 HydrophobicContact CE2-CG1 4.1Å; F32-L106 HydrophobicContact CE2-CB 3.86Å; F32-L106 HydrophobicContact CZ-CB 4.07Å; F32-L106 HydrophobicContact CZ-CD1 4.49Å
33T97.9Very high85.3Confident33 Ų3368.4 Ų68.420%0.20243%0.428CS..EExtended strand (participates in β ladder)trans-117.1123.9171.2-62.50000108.5F42 E44 V104 Q105 L106T33-F42 CarbonylContact C-O 3.6Å; T33-F42 WeakPolarHBondContact CA-O 3.44Å; T33-E44 PolarHBondContact OG1-N 3.42Å; T33-E44 VanDerWaalsContact OG1-N 3.1Å; T33-V104 PolarHBondContact N-O 2.84Å; T33-Q105 CarbonylContact O-C 3.59Å; T33-Q105 WeakPolarHBondContact O-CA 3.23Å; T33-L106 PolarHBondContact O-N 3.35Å
34F98.3Very high86.9Confident0 Ų071.3 Ų71.30%043%0.426CS..EExtended strand (participates in β ladder)trans-127.7119.5174.3174.1-152000109.7F32 F41 F42 Y89 V91 L106 A108 A111F32-F34 HydrophobicContact CD1-CB 4.4Å; F32-F34 HydrophobicContact CE1-CB 3.57Å; F32-F34 HydrophobicContact CE1-CG 4.43Å; F32-F34 HydrophobicContact CE2-CB 4.44Å; F32-F34 HydrophobicContact CZ-CB 3.61Å; F32-F34 HydrophobicContact CZ-CG 4.3Å; F34-F41 HydrophobicContact CB-CB 4.42Å; F34-F41 HydrophobicContact CD1-CB 3.61Å; F34-F41 AromaticContact CD1-CD2 3.99Å; F34-F41 HydrophobicContact CD1-CD2 3.99Å; F34-F41 AromaticContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD2-CD2 4.3Å; F34-F41 HydrophobicContact CE1-CB 4.1Å; F34-F41 AromaticContact CE1-CD2 3.87Å; F34-F41 HydrophobicContact CE1-CD2 3.87Å; F34-F41 AromaticContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE2-CD2 4.18Å; F34-F41 HydrophobicContact CG-CB 4.11Å; F34-F41 HydrophobicContact CG-CD2 4.22Å; F34-F41 AromaticContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CE2 4.33Å; F34-F41 PolarHBondContact O-N 3.4Å; F34-F42 HydrophobicContact CB-CB 4.18Å; F34-F42 HydrophobicContact CB-CD2 4.07Å; F34-F42 HydrophobicContact CD1-CD2 4.06Å; F34-F42 HydrophobicContact CD1-CE2 4.46Å; F34-F42 PolarHBondContact N-O 3.3Å; F34-F42 PolarHBondContact O-N 2.94Å; F34-Y89 HydrophobicContact CD1-CD2 4.4Å; F34-Y89 HydrophobicContact CE1-CD1 4.09Å; F34-Y89 AromaticContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CE2 4.34Å; F34-Y89 AromaticContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CZ-CG 4.39Å; F34-V91 HydrophobicContact CE2-CG2 4.23Å; F34-V91 HydrophobicContact CZ-CG2 3.86Å; F34-L106 VanDerWaalsContact CA-O 3.3Å; F34-L106 WeakPolarHBondContact CA-O 3.45Å; F34-L106 HydrophobicContact CB-CB 4.49Å; F34-L106 HydrophobicContact CD2-CB 4.19Å; F34-L106 HydrophobicContact CD2-CD2 3.28Å; F34-L106 HydrophobicContact CD2-CG 4.3Å; F34-L106 WeakPolarHBondContact CD2-O 3.19Å; F34-L106 HydrophobicContact CE2-CD2 3.27Å; F34-L106 HydrophobicContact CG-CD2 4.18Å; F34-L106 HydrophobicContact CZ-CD2 4.14Å; F34-A108 HydrophobicContact CE2-CB 3.86Å; F34-A111 HydrophobicContact CE2-CB 3.84Å; F34-A111 HydrophobicContact CZ-CB 3.48Å; F34-A111 VanDerWaalsContact CZ-CB 3.48Å
35A98.1Very high88.6Confident14 Ų1468.1 Ų68.112%0.11640%0.4CS..EExtended strand (participates in β ladder)trans-144.3156.7-178.700000112.3Q39 V40 L106 L107 A108A35-Q39 WeakPolarHBondContact CA-O 3.41Å; A35-V40 HydrophobicContact CB-CB 4.39Å; A35-V40 HydrophobicContact CB-CG1 4.35Å; A35-V40 HydrophobicContact CB-CG2 4.04Å; A35-L106 PolarHBondContact N-O 3.37Å; A35-L106 VanDerWaalsContact N-O 3.11Å; A35-L107 HydrophobicContact CB-CD2 4.19Å; A35-L107 WeakPolarHBondContact O-CA 3.45Å; A35-A108 PolarHBondContact O-N 3.36Å
36S97.3Very high90.5Very high13 Ų1365 Ų659%0.09138%0.377CS..  trans-117.8169.916169.70000109.6T38 Q39 A108S36-T38 PolarHBondContact O-N 2.94Å; S36-T38 VanDerWaalsContact O-N 3.11Å; S36-T38 PolarHBondContact OG-N 3.44Å; S36-T38 PolarHBondContact OG-OG1 3.36Å; S36-Q39 PolarHBondContact N-O 3.28Å; S36-Q39 PolarHBondContact O-N 3.06Å; S36-Q39 PolarHBondContact OG-N 3.19Å; S36-Q39 VanDerWaalsContact OG-N 3.11Å; S36-Q39 PolarHBondContact OG-O 3.13Å; S36-A108 VanDerWaalsContact CA-O 3.27Å; S36-A108 WeakPolarHBondContact CA-O 3.48Å
37P97.3Very high92.2Very high116 Ų11662.6 Ų62.675%0.75335%0.353SS*.SBendtrans-56.7-24172.4-25.935.7000113.8A108 E109P37-A108 WeakPolarHBondContact CD-O 3.45Å; P37-E109 VanDerWaalsContact CD-O 3.24Å; P37-E109 WeakPolarHBondContact CD-O 3.36Å
38T95Very high93.7Very high126 Ų12664 Ų6477%0.77335%0.346SS*.SBendtrans-95.1-29.7-176.354.40000113.3S36S36-T38 PolarHBondContact O-N 2.94Å; S36-T38 VanDerWaalsContact O-N 3.11Å; S36-T38 PolarHBondContact OG-N 3.44Å; S36-T38 PolarHBondContact OG-OG1 3.36Å
39Q95.6Very high94.8Very high106 Ų10662.1 Ų62.150%0.49533%0.329SS..  trans-153.6144.9-172.8-177.7172.73.100112.4A35 S36 F41A35-Q39 WeakPolarHBondContact CA-O 3.41Å; S36-Q39 PolarHBondContact N-O 3.28Å; S36-Q39 PolarHBondContact O-N 3.06Å; S36-Q39 PolarHBondContact OG-N 3.19Å; S36-Q39 VanDerWaalsContact OG-N 3.11Å; S36-Q39 PolarHBondContact OG-O 3.13Å; Q39-F41 HydrophobicContact CB-CE2 4.26Å; Q39-F41 HydrophobicContact CB-CZ 4.17Å; Q39-F41 HydrophobicContact CG-CE1 4.28Å; Q39-F41 HydrophobicContact CG-CE2 4.45Å; Q39-F41 HydrophobicContact CG-CZ 4.23Å
40V97.8Very high95.8Very high82 Ų8256 Ų5650%0.49730%0.301SS..EExtended strand (participates in β ladder)trans-98.3122.2166.1-176.60000108.6A35 F42 Q43A35-V40 HydrophobicContact CB-CB 4.39Å; A35-V40 HydrophobicContact CB-CG1 4.35Å; A35-V40 HydrophobicContact CB-CG2 4.04Å; V40-F42 WeakPolarHBondContact CG1-O 3.37Å; V40-Q43 HydrophobicContact CG1-CB 4.01Å
41F96.5Very high96.1Very high33 Ų3358.3 Ų58.315%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-92.1-42.6-179.9-61.8-85.7000111.4F34 Q39 Y89 A111F34-F41 HydrophobicContact CB-CB 4.42Å; F34-F41 HydrophobicContact CD1-CB 3.61Å; F34-F41 AromaticContact CD1-CD2 3.99Å; F34-F41 HydrophobicContact CD1-CD2 3.99Å; F34-F41 AromaticContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD2-CD2 4.3Å; F34-F41 HydrophobicContact CE1-CB 4.1Å; F34-F41 AromaticContact CE1-CD2 3.87Å; F34-F41 HydrophobicContact CE1-CD2 3.87Å; F34-F41 AromaticContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE2-CD2 4.18Å; F34-F41 HydrophobicContact CG-CB 4.11Å; F34-F41 HydrophobicContact CG-CD2 4.22Å; F34-F41 AromaticContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CE2 4.33Å; F34-F41 PolarHBondContact O-N 3.4Å; Q39-F41 HydrophobicContact CB-CE2 4.26Å; Q39-F41 HydrophobicContact CB-CZ 4.17Å; Q39-F41 HydrophobicContact CG-CE1 4.28Å; Q39-F41 HydrophobicContact CG-CE2 4.45Å; Q39-F41 HydrophobicContact CG-CZ 4.23Å; F41-Y89 AromaticContact CD1-CD1 4Å; F41-Y89 HydrophobicContact CD1-CD1 4Å; F41-Y89 AromaticContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CE1-CD1 4.14Å; F41-Y89 HydrophobicContact CE1-CE1 4.02Å; F41-Y89 HydrophobicContact CG-CE1 4.3Å; F41-A111 HydrophobicContact CD2-CB 4.4Å; F41-A111 HydrophobicContact CE2-CB 3.57Å; F41-A111 HydrophobicContact CZ-CB 3.87Å; F41-A111 WeakPolarHBondContact CZ-O 3.48Å
42F96.8Very high96.2Very high28 Ų2856.3 Ų56.312%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-134.1136.3175.4-66.3-99000108.9F32 T33 F34 V40 A45 V47 V79 Y89F32-F42 HydrophobicContact CD1-CB 3.9Å; F32-F42 HydrophobicContact CD1-CD1 4.34Å; F32-F42 HydrophobicContact CD1-CD2 4.31Å; F32-F42 AromaticContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CE1-CB 4.26Å; F32-F42 HydrophobicContact CE1-CD2 4.02Å; F32-F42 HydrophobicContact CE1-CG 4.11Å; T33-F42 CarbonylContact C-O 3.6Å; T33-F42 WeakPolarHBondContact CA-O 3.44Å; F34-F42 HydrophobicContact CB-CB 4.18Å; F34-F42 HydrophobicContact CB-CD2 4.07Å; F34-F42 HydrophobicContact CD1-CD2 4.06Å; F34-F42 HydrophobicContact CD1-CE2 4.46Å; F34-F42 PolarHBondContact N-O 3.3Å; F34-F42 PolarHBondContact O-N 2.94Å; V40-F42 WeakPolarHBondContact CG1-O 3.37Å; F42-A45 HydrophobicContact CB-CB 4.25Å; F42-A45 HydrophobicContact CD1-CB 3.84Å; F42-V47 HydrophobicContact CD1-CG2 4.37Å; F42-V79 HydrophobicContact CE1-CG1 4Å; F42-V79 HydrophobicContact CE2-CB 4.39Å; F42-V79 HydrophobicContact CE2-CG1 4.21Å; F42-V79 HydrophobicContact CE2-CG2 4.1Å; F42-V79 HydrophobicContact CZ-CB 4.19Å; F42-V79 HydrophobicContact CZ-CG1 3.76Å; F42-V79 HydrophobicContact CZ-CG2 4.39Å; F42-Y89 AromaticContact CE2-CE2 3.81Å; F42-Y89 HydrophobicContact CE2-CE2 3.81Å; F42-Y89 AromaticContact CE2-CZ 3.99Å; F42-Y89 HydrophobicContact CZ-CE2 4.48Å
43Q96.7Very high96.2Very high154 Ų15457.1 Ų57.172%0.7231%0.305SS*.EExtended strand (participates in β ladder)trans-128.2105.3178.9-175.8175.4500108.7V40 A45V40-Q43 HydrophobicContact CG1-CB 4.01Å; Q43-A45 PolarHBondContact O-N 3.23Å
44E94.6Very high96.1Very high149 Ų14955.8 Ų55.870%0.69630%0.296SS*.EExtended strand (participates in β ladder)trans48.135.1-179-58.3-175.4166.700113.4S31 F32 T33S31-E44 WeakPolarHBondContact OG-CA 3.4Å; F32-E44 PolarHBondContact O-N 2.97Å; T33-E44 PolarHBondContact OG1-N 3.42Å; T33-E44 VanDerWaalsContact OG1-N 3.1Å
45A94.1Very high95.8Very high28 Ų2861.2 Ų61.223%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-78.2143.4-175.100000110.7F32 F42 Q43 V47F32-A45 PolarHBondContact N-O 3.46Å; F32-A45 PolarHBondContact O-N 2.94Å; F42-A45 HydrophobicContact CB-CB 4.25Å; F42-A45 HydrophobicContact CD1-CB 3.84Å; Q43-A45 PolarHBondContact O-N 3.23Å; A45-V47 HydrophobicContact CB-CG2 4.31Å; A45-V47 PolarHBondContact O-N 2.9Å
46S93.4Very high95.5Very high57 Ų5766.9 Ų66.940%0.39936%0.358SS..EExtended strand (participates in β ladder)trans-71.3118.4167.8-177.50000109.2H29 D82H29-S46 WeakPolarHBondContact CB-OG 3.22Å; S46-D82 PolarHBondContact OG-OD2 3.01Å
47V93.4Very high95.4Very high0 Ų068 Ų680%037%0.371CS..EExtended strand (participates in β ladder)trans-130.6144.7179.5176.50000108.8M30 F32 F42 A45 Q49 V50 V79 F80M30-V47 WeakPolarHBondContact CG-O 3.43Å; M30-V47 PolarHBondContact O-N 2.95Å; F32-V47 HydrophobicContact CB-CB 3.99Å; F32-V47 HydrophobicContact CB-CG2 3.75Å; F32-V47 HydrophobicContact CD1-CG2 3.91Å; F32-V47 HydrophobicContact CG-CG2 4.22Å; F42-V47 HydrophobicContact CD1-CG2 4.37Å; A45-V47 HydrophobicContact CB-CG2 4.31Å; A45-V47 PolarHBondContact O-N 2.9Å; V47-Q49 WeakPolarHBondContact CG1-O 3.42Å; V47-V50 HydrophobicContact CG1-CG2 3.7Å; V47-V79 HydrophobicContact CG1-CG1 3.58Å; V47-V79 HydrophobicContact CG2-CG1 4.03Å; V47-F80 WeakPolarHBondContact CG1-O 3.47Å
48R93.4Very high95.3Very high143 Ų14366.6 Ų66.654%0.5437%0.37SS..SBendtrans-81.6-41.6-178.4179.3179.4172.8-176.6-2.1112.6P63 F80R48-P63 WeakPolarHBondContact O-CD 3.4Å; R48-F80 WeakPolarHBondContact CB-O 3.22Å; R48-F80 PolarHBondContact N-O 3.16Å
49Q95.1Very high95.3Very high50 Ų5062.8 Ų62.823%0.23434%0.342CS..EExtended strand (participates in β ladder)trans-156144.8-177.7175.6178.4-25.700110.5V47 D51 I61 L62 F80V47-Q49 WeakPolarHBondContact CG1-O 3.42Å; Q49-D51 PolarHBondContact NE2-OD1 2.98Å; Q49-I61 CarbonylContact C-O 3.51Å; Q49-I61 VanDerWaalsContact CA-O 3.3Å; Q49-I61 WeakPolarHBondContact CA-O 3.35Å; Q49-L62 HydrophobicContact CB-CD1 4.39Å; Q49-L62 HydrophobicContact CB-CG 4.23Å; Q49-L62 HydrophobicContact CG-CD1 3.79Å; Q49-L62 HydrophobicContact CG-CG 4.18Å; Q49-F80 HydrophobicContact CB-CB 4.13Å; Q49-F80 HydrophobicContact CB-CD2 3.99Å; Q49-F80 HydrophobicContact CB-CG 4.44Å; Q49-F80 HydrophobicContact CG-CD2 3.93Å; Q49-F80 HydrophobicContact CG-CE2 4.48Å; Q49-F80 PolarHBondContact N-O 3.28Å; Q49-F80 PolarHBondContact O-N 2.79Å
50V96.9Very high95.4Very high0 Ų059 Ų590%033%0.332CS..EExtended strand (participates in β ladder)trans-130.8122.5171.7-174.60000109.5M30 F32 V47 V52 G60 I61 V77 T78 V79M30-V50 HydrophobicContact CE-CB 4.45Å; M30-V50 HydrophobicContact CE-CG2 3.79Å; F32-V50 HydrophobicContact CD1-CG2 4.11Å; F32-V50 HydrophobicContact CD2-CG2 3.84Å; F32-V50 HydrophobicContact CE1-CG1 4.49Å; F32-V50 HydrophobicContact CE1-CG2 4.06Å; F32-V50 HydrophobicContact CE2-CB 4.33Å; F32-V50 HydrophobicContact CE2-CG1 3.91Å; F32-V50 HydrophobicContact CE2-CG2 3.8Å; F32-V50 HydrophobicContact CG-CG2 3.98Å; F32-V50 HydrophobicContact CZ-CB 4.46Å; F32-V50 HydrophobicContact CZ-CG1 3.75Å; F32-V50 HydrophobicContact CZ-CG2 3.89Å; V47-V50 HydrophobicContact CG1-CG2 3.7Å; V50-V52 HydrophobicContact CG1-CG1 3.76Å; V50-G60 CarbonylContact O-C 3.57Å; V50-I61 PolarHBondContact N-O 3.28Å; V50-I61 PolarHBondContact O-N 2.9Å; V50-V77 HydrophobicContact CG1-CG1 4.03Å; V50-T78 WeakPolarHBondContact CA-O 3.39Å; V50-V79 HydrophobicContact CG1-CG2 4.42Å; V50-V79 HydrophobicContact CG2-CG1 4.43Å
51D97.4Very high95.3Very high49 Ų4955.1 Ų55.126%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-97.1125.7173.8-66.2-10.9000109.6Q49 G60 V77 T78 F80Q49-D51 PolarHBondContact NE2-OD1 2.98Å; D51-G60 WeakPolarHBondContact OD1-CA 3.4Å; D51-V77 WeakPolarHBondContact O-CA 3.48Å; D51-T78 PolarHBondContact N-O 2.91Å; D51-T78 PolarHBondContact O-N 3.26Å; D51-F80 WeakPolarHBondContact OD2-CE2 3.43Å
52V97.5Very high95.2Very high1 Ų157.5 Ų57.51%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-124135.6-172.3-59.70000111.8V50 T54 A58 F59 I61 L72 V96 L106V50-V52 HydrophobicContact CG1-CG1 3.76Å; V52-T54 HydrophobicContact CG2-CG2 4.08Å; V52-A58 VanDerWaalsContact O-CA 3.32Å; V52-A58 WeakPolarHBondContact O-CA 3.32Å; V52-F59 HydrophobicContact CG2-CD1 4.08Å; V52-F59 HydrophobicContact CG2-CE1 3.75Å; V52-F59 HydrophobicContact CG2-CE2 4.24Å; V52-F59 HydrophobicContact CG2-CG 4.45Å; V52-F59 HydrophobicContact CG2-CZ 3.84Å; V52-F59 PolarHBondContact N-O 3.44Å; V52-F59 PolarHBondContact O-N 3.3Å; V52-F59 VanDerWaalsContact O-N 3.15Å; V52-I61 HydrophobicContact CG1-CD1 4.12Å; V52-I61 HydrophobicContact CG2-CD1 3.98Å; V52-L72 HydrophobicContact CB-CD2 4.43Å; V52-V96 HydrophobicContact CG2-CG1 4.46Å; V52-L106 HydrophobicContact CB-CD1 4.37Å; V52-L106 HydrophobicContact CG1-CD1 3.42Å; V52-L106 VanDerWaalsContact CG1-CD1 3.42Å
53P97.3Very high95Very high18 Ų1857.4 Ų57.412%0.11733%0.325CS..EExtended strand (participates in β ladder)trans-86.3120.9170.432.6-29.7000110.4L72 R73 V77P53-L72 WeakPolarHBondContact O-CA 3.46Å; P53-L72 WeakPolarHBondContact O-CD2 3.47Å; P53-R73 PolarHBondContact O-N 2.97Å; P53-R73 VanDerWaalsContact O-N 3.1Å; P53-V77 HydrophobicContact CG-CG2 4.36Å
54T95.9Very high94.8Very high4 Ų454 Ų543%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-121.3169.717577.60000111.8V52 T56 G57 F59 Q70 V71 L72 V96V52-T54 HydrophobicContact CG2-CG2 4.08Å; T54-T56 PolarHBondContact O-N 3.15Å; T54-T56 PolarHBondContact OG1-N 3.29Å; T54-G57 CarbonylContact C-O 3.59Å; T54-G57 WeakPolarHBondContact CA-O 3.32Å; T54-G57 PolarHBondContact N-O 3.36Å; T54-G57 PolarHBondContact O-N 3.18Å; T54-G57 PolarHBondContact OG1-O 3.28Å; T54-F59 HydrophobicContact CG2-CD1 4.21Å; T54-F59 HydrophobicContact CG2-CE1 3.56Å; T54-F59 HydrophobicContact CG2-CZ 4.5Å; T54-Q70 HydrophobicContact CG2-CB 4Å; T54-Q70 PolarHBondContact OG1-OE1 3.05Å; T54-V71 WeakPolarHBondContact CA-O 3.2Å; T54-V71 VanDerWaalsContact CB-O 3.3Å; T54-V71 WeakPolarHBondContact CB-O 3.36Å; T54-L72 HydrophobicContact CG2-CD2 4.28Å; T54-V96 HydrophobicContact CG2-CG1 4.26Å
55L92.4Very high94.7Very high115 Ų11549.9 Ų49.960%0.60230%0.304SS*.THydrogen-bonded Turntrans-60.5-29.7176.5-77-178000113.3V71 R73L55-V71 HydrophobicContact CB-CG2 4.25Å; L55-V71 HydrophobicContact CD1-CG2 3.33Å; L55-V71 HydrophobicContact CG-CG2 3.8Å; L55-V71 PolarHBondContact N-O 3.09Å; L55-R73 HydrophobicContact CD2-CB 4.33Å; L55-R73 HydrophobicContact CD2-CG 4.41Å
56T91.9Very high94.8Very high132 Ų13253.6 Ų53.681%0.8132%0.323SS*.THydrogen-bonded Turntrans-87.7-12.2-178.9-49.50000112.5T54T54-T56 PolarHBondContact O-N 3.15Å; T54-T56 PolarHBondContact OG1-N 3.29Å
57G94.3Very high95Very high36 Ų3654.5 Ų54.537%0.37133%0.327SS..EExtended strand (participates in β ladder)trans147.5179.7-179.800000111.6T54T54-G57 CarbonylContact C-O 3.59Å; T54-G57 WeakPolarHBondContact CA-O 3.32Å; T54-G57 PolarHBondContact N-O 3.36Å; T54-G57 PolarHBondContact O-N 3.18Å; T54-G57 PolarHBondContact OG1-O 3.28Å
58A94.7Very high95.1Very high87 Ų8756 Ų5672%0.71934%0.337SS*.EExtended strand (participates in β ladder)trans-95.4139.1169.700000109.7V52V52-A58 VanDerWaalsContact O-CA 3.32Å; V52-A58 WeakPolarHBondContact O-CA 3.32Å
59F96.4Very high95.3Very high46 Ų4655.6 Ų55.620%0.20235%0.345CS..EExtended strand (participates in β ladder)trans-145.7155.8173.869.8-82000111.9V52 T54 I61 T68V52-F59 HydrophobicContact CG2-CD1 4.08Å; V52-F59 HydrophobicContact CG2-CE1 3.75Å; V52-F59 HydrophobicContact CG2-CE2 4.24Å; V52-F59 HydrophobicContact CG2-CG 4.45Å; V52-F59 HydrophobicContact CG2-CZ 3.84Å; V52-F59 PolarHBondContact N-O 3.44Å; V52-F59 PolarHBondContact O-N 3.3Å; V52-F59 VanDerWaalsContact O-N 3.15Å; T54-F59 HydrophobicContact CG2-CD1 4.21Å; T54-F59 HydrophobicContact CG2-CE1 3.56Å; T54-F59 HydrophobicContact CG2-CZ 4.5Å; F59-I61 HydrophobicContact CD2-CG1 4Å; F59-I61 HydrophobicContact CE2-CD1 4.01Å; F59-I61 HydrophobicContact CE2-CG1 3.51Å; F59-I61 HydrophobicContact CZ-CD1 4.4Å; F59-I61 HydrophobicContact CZ-CG1 4.36Å; F59-T68 HydrophobicContact CZ-CG2 4.45Å
60G96.2Very high95.4Very high27 Ų2755.8 Ų55.828%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-95.6136.4176.100000111.6V50 D51V50-G60 CarbonylContact O-C 3.57Å; D51-G60 WeakPolarHBondContact OD1-CA 3.4Å
61I96.5Very high95.4Very high0 Ų059.6 Ų59.60%037%0.369CS..EExtended strand (participates in β ladder)trans-106.4121.5176-56.1163.5000107.4M30 Q49 V50 V52 F59 H65 V96 V98 V104M30-I61 HydrophobicContact CE-CG2 4.13Å; M30-I61 HydrophobicContact SD-CG2 4.14Å; Q49-I61 CarbonylContact C-O 3.51Å; Q49-I61 VanDerWaalsContact CA-O 3.3Å; Q49-I61 WeakPolarHBondContact CA-O 3.35Å; V50-I61 PolarHBondContact N-O 3.28Å; V50-I61 PolarHBondContact O-N 2.9Å; V52-I61 HydrophobicContact CG1-CD1 4.12Å; V52-I61 HydrophobicContact CG2-CD1 3.98Å; F59-I61 HydrophobicContact CD2-CG1 4Å; F59-I61 HydrophobicContact CE2-CD1 4.01Å; F59-I61 HydrophobicContact CE2-CG1 3.51Å; F59-I61 HydrophobicContact CZ-CD1 4.4Å; F59-I61 HydrophobicContact CZ-CG1 4.36Å; I61-H65 HydrophobicContact CG2-CB 3.98Å; I61-V96 HydrophobicContact CD1-CG2 3.85Å; I61-V98 HydrophobicContact CD1-CG2 3.82Å; I61-V98 HydrophobicContact CG1-CG2 4.32Å; I61-V98 HydrophobicContact CG2-CG2 4.09Å; I61-V104 HydrophobicContact CD1-CG1 4.15Å; I61-V104 HydrophobicContact CG2-CG2 3.96Å
62L95Very high95.4Very high83 Ų8357.8 Ų57.844%0.43536%0.359SS..  trans-115.1165.9173.5-79.983.8000109.2Q49 H65Q49-L62 HydrophobicContact CB-CD1 4.39Å; Q49-L62 HydrophobicContact CB-CG 4.23Å; Q49-L62 HydrophobicContact CG-CD1 3.79Å; Q49-L62 HydrophobicContact CG-CG 4.18Å; L62-H65 VanDerWaalsContact O-CB 3.3Å; L62-H65 WeakPolarHBondContact O-CB 3.32Å; L62-H65 PolarHBondContact O-N 3.35Å
63P92.3Very high95.3Very high27 Ų2763.2 Ų63.218%0.17538%0.379CS..THydrogen-bonded Turntrans-49141171.3-27.831.2000112.8P28 M30 R48 H65P28-P63 HydrophobicContact CB-CB 3.72Å; P28-P63 HydrophobicContact CB-CG 4.43Å; P28-P63 HydrophobicContact CG-CB 4.22Å; P28-P63 WeakPolarHBondContact O-CG 3.36Å; M30-P63 HydrophobicContact CB-CG 4.48Å; M30-P63 HydrophobicContact CG-CG 4.3Å; R48-P63 WeakPolarHBondContact O-CD 3.4Å; P63-H65 VanDerWaalsContact C-N 3.31Å; P63-H65 PolarHBondContact O-N 3.46Å
64A91.2Very high95.3Very high83 Ų8363.7 Ų63.769%0.68638%0.383SS*.THydrogen-bonded Turntrans6129.8-175.200000115.5S102A64-S102 PolarHBondContact N-OG 3.41Å
65H94.4Very high95.4Very high62 Ų6264 Ų6429%0.28739%0.386SS..PPolyproline II helixtrans-66.5153.3168.9-167.7-80.8000111.9I61 L62 P63 V98I61-H65 HydrophobicContact CG2-CB 3.98Å; L62-H65 VanDerWaalsContact O-CB 3.3Å; L62-H65 WeakPolarHBondContact O-CB 3.32Å; L62-H65 PolarHBondContact O-N 3.35Å; P63-H65 VanDerWaalsContact C-N 3.31Å; P63-H65 PolarHBondContact O-N 3.46Å; H65-V98 HydrophobicContact CB-CG1 4.26Å
66V95.3Very high95.6Very high106 Ų10660.6 Ų60.664%0.64237%0.37SS*.PPolyproline II helixtrans-63.9135.3177.3-175.90000110.2T68V66-T68 PolarHBondContact O-N 3.15Å; V66-T68 PolarHBondContact O-OG1 3.36Å
67P96.8Very high95.9Very high75 Ų7554.3 Ų54.349%0.48733%0.331SS..PPolyproline II helixtrans-54.9130177.1-27.836.2000112V98 A100P67-V98 CarbonylContact C-O 3.6Å; P67-V98 WeakPolarHBondContact CA-O 3.25Å; P67-V98 WeakPolarHBondContact CB-O 3.2Å; P67-A100 HydrophobicContact CG-CB 3.9Å
68T96.3Very high96Very high32 Ų3253.5 Ų53.520%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-149.6142.1-167.4-61.50000110.2F59 V66 Q70 V98F59-T68 HydrophobicContact CZ-CG2 4.45Å; V66-T68 PolarHBondContact O-N 3.15Å; V66-T68 PolarHBondContact O-OG1 3.36Å; T68-Q70 HydrophobicContact CG2-CG 3.83Å; T68-V98 PolarHBondContact N-O 3.26Å; T68-V98 PolarHBondContact O-N 3.2Å
69L96.9Very high96.1Very high135 Ų13549.4 Ų49.471%0.70729%0.285SS*.EExtended strand (participates in β ladder)trans-124.8123.2171.7-72.9170.1000108.6T97L69-T97 HydrophobicContact CD2-CG2 3.43Å; L69-T97 VanDerWaalsContact CD2-CG2 3.43Å; L69-T97 WeakPolarHBondContact CD2-OG1 3.46Å
70Q97.4Very high96.1Very high53 Ų5350.1 Ų50.125%0.24829%0.289CS..EExtended strand (participates in β ladder)trans-143.2158.9177.5-69.4-172.438.400111.6T54 T68 S95 V96T54-Q70 HydrophobicContact CG2-CB 4Å; T54-Q70 PolarHBondContact OG1-OE1 3.05Å; T68-Q70 HydrophobicContact CG2-CG 3.83Å; Q70-S95 CarbonylContact O-C 3.58Å; Q70-S95 WeakPolarHBondContact O-CA 3.46Å; Q70-V96 HydrophobicContact CB-CG1 3.93Å; Q70-V96 PolarHBondContact N-O 3.47Å; Q70-V96 PolarHBondContact O-N 2.96Å
71V97.4Very high95.9Very high81 Ų8150.7 Ų50.749%0.49129%0.285SS..EExtended strand (participates in β ladder)trans-97.4142.2172.3-67.20000110.2T54 L55 G94T54-V71 WeakPolarHBondContact CA-O 3.2Å; T54-V71 VanDerWaalsContact CB-O 3.3Å; T54-V71 WeakPolarHBondContact CB-O 3.36Å; L55-V71 HydrophobicContact CB-CG2 4.25Å; L55-V71 HydrophobicContact CD1-CG2 3.33Å; L55-V71 HydrophobicContact CG-CG2 3.8Å; L55-V71 PolarHBondContact N-O 3.09Å; V71-G94 WeakPolarHBondContact CA-O 3.45Å
72L96.9Very high95.4Very high11 Ų1154.8 Ų54.86%0.05831%0.307CS..EExtended strand (participates in β ladder)trans-82.1150.6-177.6-57.5176.9000111V52 P53 T54 V91 G94 V96 L106V52-L72 HydrophobicContact CB-CD2 4.43Å; P53-L72 WeakPolarHBondContact O-CA 3.46Å; P53-L72 WeakPolarHBondContact O-CD2 3.47Å; T54-L72 HydrophobicContact CG2-CD2 4.28Å; L72-V91 HydrophobicContact CD1-CG1 3.84Å; L72-G94 PolarHBondContact N-O 3.26Å; L72-V96 HydrophobicContact CD2-CB 4.12Å; L72-V96 HydrophobicContact CD2-CG1 4.06Å; L72-L106 HydrophobicContact CD1-CD1 4.48Å; L72-L106 HydrophobicContact CD1-CD2 3.76Å; L72-L106 HydrophobicContact CD1-CG 3.96Å
73R96.1Very high95.1Very high115 Ų11556.9 Ų56.943%0.43432%0.319SS..  trans-108.3150.9171.3-176-178.5-177.2-173.31.8108.7P53 L55 G75 E150P53-R73 PolarHBondContact O-N 2.97Å; P53-R73 VanDerWaalsContact O-N 3.1Å; L55-R73 HydrophobicContact CD2-CB 4.33Å; L55-R73 HydrophobicContact CD2-CG 4.41Å; R73-G75 PolarHBondContact O-N 3.06Å; R73-G75 VanDerWaalsContact O-N 3.17Å; R73-E150 IonicContact CZ-OE1 2.73Å; R73-E150 IonicContact NE-OE1 2.73Å; R73-E150 PolarHBondContact NE-OE1 3.02Å; R73-E150 IonicContact NH2-OE1 3.99Å; R73-E150 PolarHBondContact NH2-OE1 3.24Å
74P97.3Very high94.7Very high28 Ų2858.1 Ų58.118%0.18234%0.336CS..SBendtrans-49.5123.7171.7-26.330.6000111.7F90 V91 S92 A151 A154P74-F90 HydrophobicContact CB-CZ 4.17Å; P74-V91 WeakPolarHBondContact CA-O 3.37Å; P74-S92 VanDerWaalsContact CA-O 3.24Å; P74-S92 WeakPolarHBondContact CA-O 3.43Å; P74-S92 VanDerWaalsContact CD-O 3.25Å; P74-S92 WeakPolarHBondContact CD-O 3.38Å; P74-S92 WeakPolarHBondContact CG-O 3.33Å; P74-S92 VanDerWaalsContact N-O 3.15Å; P74-A151 HydrophobicContact CB-CB 4.25Å; P74-A151 HydrophobicContact CG-CB 4.09Å; P74-A154 HydrophobicContact CB-CB 3.96Å
75G97.2Very high94.8Very high10 Ų1056.4 Ų56.410%0.10332%0.32CS..EExtended strand (participates in β ladder)trans168-172.5-175.200000114.6R73 F90 V91R73-G75 PolarHBondContact O-N 3.06Å; R73-G75 VanDerWaalsContact O-N 3.17Å; G75-F90 WeakPolarHBondContact O-CA 3.25Å; G75-V91 PolarHBondContact N-O 2.73Å; G75-V91 PolarHBondContact O-N 3.05Å
76V97.5Very high94.9Very high43 Ų4356.7 Ų56.726%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-97.5123.8-176.2-175.80000110.7K88 Y89 F90 L114 A158V76-K88 HydrophobicContact CG1-CB 4.06Å; V76-K88 HydrophobicContact CG1-CD 4.48Å; V76-K88 HydrophobicContact CG1-CG 4.38Å; V76-Y89 CarbonylContact C-O 3.59Å; V76-Y89 WeakPolarHBondContact CA-O 2.94Å; V76-F90 HydrophobicContact CG2-CD2 4.44Å; V76-L114 HydrophobicContact CG1-CD1 4.39Å; V76-L114 HydrophobicContact CG2-CD2 4.24Å; V76-A158 HydrophobicContact CG2-CB 3.41Å; V76-A158 VanDerWaalsContact CG2-CB 3.41Å
77V97.9Very high94.9Very high0 Ų052.8 Ų52.80%031%0.307CS..EExtended strand (participates in β ladder)trans-89.7129.7164.31740000108.5V50 D51 P53 V79 K88 Y89 V91 L106V50-V77 HydrophobicContact CG1-CG1 4.03Å; D51-V77 WeakPolarHBondContact O-CA 3.48Å; P53-V77 HydrophobicContact CG-CG2 4.36Å; V77-V79 HydrophobicContact CG1-CG2 4.2Å; V77-K88 WeakPolarHBondContact O-CA 3.48Å; V77-Y89 PolarHBondContact N-O 3.45Å; V77-Y89 PolarHBondContact O-N 3.22Å; V77-V91 HydrophobicContact CB-CG2 4.29Å; V77-V91 HydrophobicContact CG2-CB 4.3Å; V77-V91 HydrophobicContact CG2-CG2 3.64Å; V77-L106 HydrophobicContact CG1-CD1 4.01Å; V77-L106 HydrophobicContact CG2-CD1 3.96Å; V77-L106 HydrophobicContact CG2-CD2 4.46Å
78T97.4Very high94.9Very high20 Ų2054.5 Ų54.512%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-115.1123174.9-53.70000109.7V50 D51 F80 A87 K88V50-T78 WeakPolarHBondContact CA-O 3.39Å; D51-T78 PolarHBondContact N-O 2.91Å; D51-T78 PolarHBondContact O-N 3.26Å; T78-F80 HydrophobicContact CG2-CD2 4.23Å; T78-F80 HydrophobicContact CG2-CE1 4.11Å; T78-F80 HydrophobicContact CG2-CE2 3.62Å; T78-F80 HydrophobicContact CG2-CZ 3.56Å; T78-A87 WeakPolarHBondContact CA-O 3.26Å; T78-K88 HydrophobicContact CG2-CG 4.11Å
79V96.8Very high94.9Very high0 Ų054.6 Ų54.60%030%0.304CS..EExtended strand (participates in β ladder)trans-106.6122179-175.50000108.1F32 F42 V47 V50 V77 S86 A87 Y89F32-V79 HydrophobicContact CD1-CG1 4.31Å; F32-V79 HydrophobicContact CE1-CG1 4.16Å; F32-V79 HydrophobicContact CE1-CG2 3.78Å; F32-V79 HydrophobicContact CZ-CG2 4.28Å; F42-V79 HydrophobicContact CE1-CG1 4Å; F42-V79 HydrophobicContact CE2-CB 4.39Å; F42-V79 HydrophobicContact CE2-CG1 4.21Å; F42-V79 HydrophobicContact CE2-CG2 4.1Å; F42-V79 HydrophobicContact CZ-CB 4.19Å; F42-V79 HydrophobicContact CZ-CG1 3.76Å; F42-V79 HydrophobicContact CZ-CG2 4.39Å; V47-V79 HydrophobicContact CG1-CG1 3.58Å; V47-V79 HydrophobicContact CG2-CG1 4.03Å; V50-V79 HydrophobicContact CG1-CG2 4.42Å; V50-V79 HydrophobicContact CG2-CG1 4.43Å; V77-V79 HydrophobicContact CG1-CG2 4.2Å; V79-S86 CarbonylContact O-C 3.56Å; V79-S86 VanDerWaalsContact O-CA 3.25Å; V79-S86 WeakPolarHBondContact O-CA 3.44Å; V79-A87 PolarHBondContact N-O 3Å; V79-A87 PolarHBondContact O-N 3.4Å; V79-Y89 HydrophobicContact CG2-CD2 4.46Å; V79-Y89 HydrophobicContact CG2-CE2 4.35Å
80F95.6Very high95Very high61 Ų6148.6 Ų48.627%0.26827%0.272SS..EExtended strand (participates in β ladder)trans-103.8113.6176.4-62.2-86.8000110V47 R48 Q49 D51 T78V47-F80 WeakPolarHBondContact CG1-O 3.47Å; R48-F80 WeakPolarHBondContact CB-O 3.22Å; R48-F80 PolarHBondContact N-O 3.16Å; Q49-F80 HydrophobicContact CB-CB 4.13Å; Q49-F80 HydrophobicContact CB-CD2 3.99Å; Q49-F80 HydrophobicContact CB-CG 4.44Å; Q49-F80 HydrophobicContact CG-CD2 3.93Å; Q49-F80 HydrophobicContact CG-CE2 4.48Å; Q49-F80 PolarHBondContact N-O 3.28Å; Q49-F80 PolarHBondContact O-N 2.79Å; D51-F80 WeakPolarHBondContact OD2-CE2 3.43Å; T78-F80 HydrophobicContact CG2-CD2 4.23Å; T78-F80 HydrophobicContact CG2-CE1 4.11Å; T78-F80 HydrophobicContact CG2-CE2 3.62Å; T78-F80 HydrophobicContact CG2-CZ 3.56Å
81N91.3Very high95Very high40 Ų4046.1 Ų46.121%0.21426%0.261CS..  trans-77.1165.5178.5-63.3-42.7000111.4D83 G84 S85N81-D83 WeakPolarHBondContact CB-OD1 3.27Å; N81-D83 PolarHBondContact O-N 2.83Å; N81-G84 PolarHBondContact O-N 2.94Å; N81-S85 WeakPolarHBondContact CB-OG 3.37Å; N81-S85 PolarHBondContact N-O 2.9Å; N81-S85 PolarHBondContact ND2-OG 3.28Å
82D87.5Confident94.9Very high85 Ų8543.6 Ų43.646%0.45525%0.247SC..THydrogen-bonded Turntrans-63.9-26-179.3-71.1-31.9000113.3S46 G84S46-D82 PolarHBondContact OG-OD2 3.01Å; D82-G84 PolarHBondContact O-N 3.45Å
83D87.3Confident94.9Very high127 Ų12744.9 Ų44.968%0.67926%0.257SS*.THydrogen-bonded Turntrans-77.5-2.5176.168.3-8.4000113.7N81 S85N81-D83 WeakPolarHBondContact CB-OD1 3.27Å; N81-D83 PolarHBondContact O-N 2.83Å; D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 VanDerWaalsContact CG-OG 3.32Å; D83-S85 VanDerWaalsContact OD1-CB 3.23Å; D83-S85 WeakPolarHBondContact OD1-CB 3.38Å; D83-S85 PolarHBondContact OD1-N 3.39Å; D83-S85 PolarHBondContact OD1-OG 2.88Å; D83-S85 PolarHBondContact OD2-OG 3.36Å
84G85.5Confident94.9Very high53 Ų5340.5 Ų40.555%0.54625%0.248SC..SBendtrans83.40.4-176.900000114.3N81 D82N81-G84 PolarHBondContact O-N 2.94Å; D82-G84 PolarHBondContact O-N 3.45Å
85S93.3Very high94.9Very high48 Ų4841.3 Ų41.334%0.33625%0.254SS..  trans-70.6151.1170.369.50000110.9N81 D83N81-S85 WeakPolarHBondContact CB-OG 3.37Å; N81-S85 PolarHBondContact N-O 2.9Å; N81-S85 PolarHBondContact ND2-OG 3.28Å; D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 VanDerWaalsContact CG-OG 3.32Å; D83-S85 VanDerWaalsContact OD1-CB 3.23Å; D83-S85 WeakPolarHBondContact OD1-CB 3.38Å; D83-S85 PolarHBondContact OD1-N 3.39Å; D83-S85 PolarHBondContact OD1-OG 2.88Å; D83-S85 PolarHBondContact OD2-OG 3.36Å
86S94.8Very high95Very high68 Ų6840.9 Ų40.948%0.47625%0.249SC..EExtended strand (participates in β ladder)trans-124.3130.7177.266.70000111.2V79V79-S86 CarbonylContact O-C 3.56Å; V79-S86 VanDerWaalsContact O-CA 3.25Å; V79-S86 WeakPolarHBondContact O-CA 3.44Å
87A95.4Very high95Very high23 Ų2340.2 Ų40.219%0.1925%0.245CC..EExtended strand (participates in β ladder)trans-107.5138.8170.300000110T78 V79 Y89T78-A87 WeakPolarHBondContact CA-O 3.26Å; V79-A87 PolarHBondContact N-O 3Å; V79-A87 PolarHBondContact O-N 3.4Å; A87-Y89 HydrophobicContact CB-CE2 3.61Å
88K97Very high95Very high112 Ų11240.5 Ų40.549%0.48725%0.247SC..EExtended strand (participates in β ladder)trans-120.7133.4-178.1-66-177.3179.8-178.20110.5V76 V77 T78 L114V76-K88 HydrophobicContact CG1-CB 4.06Å; V76-K88 HydrophobicContact CG1-CD 4.48Å; V76-K88 HydrophobicContact CG1-CG 4.38Å; V77-K88 WeakPolarHBondContact O-CA 3.48Å; T78-K88 HydrophobicContact CG2-CG 4.11Å; K88-L114 HydrophobicContact CB-CD1 3.55Å; K88-L114 HydrophobicContact CB-CG 4.02Å; K88-L114 HydrophobicContact CD-CD1 3.84Å; K88-L114 HydrophobicContact CG-CD1 4.36Å
89Y97.6Very high94.9Very high33 Ų3342.1 Ų42.113%0.12926%0.255CS..EExtended strand (participates in β ladder)trans-131.2135.8179.3-56.7-92.1000108.8F34 F41 F42 V76 V77 V79 A87 V112 P113F34-Y89 HydrophobicContact CD1-CD2 4.4Å; F34-Y89 HydrophobicContact CE1-CD1 4.09Å; F34-Y89 AromaticContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CE2 4.34Å; F34-Y89 AromaticContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CZ-CG 4.39Å; F41-Y89 AromaticContact CD1-CD1 4Å; F41-Y89 HydrophobicContact CD1-CD1 4Å; F41-Y89 AromaticContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CE1-CD1 4.14Å; F41-Y89 HydrophobicContact CE1-CE1 4.02Å; F41-Y89 HydrophobicContact CG-CE1 4.3Å; F42-Y89 AromaticContact CE2-CE2 3.81Å; F42-Y89 HydrophobicContact CE2-CE2 3.81Å; F42-Y89 AromaticContact CE2-CZ 3.99Å; F42-Y89 HydrophobicContact CZ-CE2 4.48Å; V76-Y89 CarbonylContact C-O 3.59Å; V76-Y89 WeakPolarHBondContact CA-O 2.94Å; V77-Y89 PolarHBondContact N-O 3.45Å; V77-Y89 PolarHBondContact O-N 3.22Å; V79-Y89 HydrophobicContact CG2-CD2 4.46Å; V79-Y89 HydrophobicContact CG2-CE2 4.35Å; A87-Y89 HydrophobicContact CB-CE2 3.61Å; Y89-V112 CarbonylContact C-O 3.54Å; Y89-V112 WeakPolarHBondContact CA-O 3.42Å; Y89-P113 HydrophobicContact CD1-CG 4.13Å; Y89-P113 HydrophobicContact CE1-CG 4.07Å
90F97.9Very high94.8Very high10 Ų1046.4 Ų46.44%0.04429%0.291CS..EExtended strand (participates in β ladder)trans-80.6135.6163.7-170.7-91.5000108.9P74 G75 V76 A111 V112 L114 L117 A154 I155 A158P74-F90 HydrophobicContact CB-CZ 4.17Å; G75-F90 WeakPolarHBondContact O-CA 3.25Å; V76-F90 HydrophobicContact CG2-CD2 4.44Å; F90-A111 CarbonylContact O-C 3.53Å; F90-A111 VanDerWaalsContact O-CA 3.3Å; F90-A111 WeakPolarHBondContact O-CA 3.43Å; F90-V112 HydrophobicContact CB-CG2 4.07Å; F90-V112 PolarHBondContact N-O 3.4Å; F90-V112 PolarHBondContact O-N 3.39Å; F90-L114 HydrophobicContact CB-CD2 3.99Å; F90-L117 HydrophobicContact CB-CD1 3.67Å; F90-L117 HydrophobicContact CG-CD1 4.08Å; F90-A154 HydrophobicContact CE2-CB 4.06Å; F90-A154 HydrophobicContact CZ-CB 4.11Å; F90-I155 HydrophobicContact CD1-CG1 4.08Å; F90-I155 HydrophobicContact CD2-CG1 4.28Å; F90-I155 HydrophobicContact CE1-CD1 4.06Å; F90-I155 HydrophobicContact CE1-CG1 3.45Å; F90-I155 VanDerWaalsContact CE1-CG1 3.45Å; F90-I155 HydrophobicContact CE2-CB 4.32Å; F90-I155 HydrophobicContact CE2-CG1 3.69Å; F90-I155 HydrophobicContact CG-CG1 4.46Å; F90-I155 HydrophobicContact CZ-CB 4.29Å; F90-I155 HydrophobicContact CZ-CD1 4.24Å; F90-I155 HydrophobicContact CZ-CG1 3.24Å; F90-A158 HydrophobicContact CD2-CB 3.95Å; F90-A158 HydrophobicContact CE2-CB 4.35Å
91V97.6Very high94.6Very high0 Ų049.2 Ų49.20%031%0.308CS..EExtended strand (participates in β ladder)trans-123.2136177173.70000108.7F34 L72 P74 G75 V77 S93 A108 E110 A111F34-V91 HydrophobicContact CE2-CG2 4.23Å; F34-V91 HydrophobicContact CZ-CG2 3.86Å; L72-V91 HydrophobicContact CD1-CG1 3.84Å; P74-V91 WeakPolarHBondContact CA-O 3.37Å; G75-V91 PolarHBondContact N-O 2.73Å; G75-V91 PolarHBondContact O-N 3.05Å; V77-V91 HydrophobicContact CB-CG2 4.29Å; V77-V91 HydrophobicContact CG2-CB 4.3Å; V77-V91 HydrophobicContact CG2-CG2 3.64Å; V91-S93 WeakPolarHBondContact CG1-O 3.3Å; V91-A108 HydrophobicContact CB-CB 4.47Å; V91-A108 HydrophobicContact CG1-CB 3.52Å; V91-A108 HydrophobicContact CG2-CB 4.22Å; V91-E110 WeakPolarHBondContact CA-O 3.36Å; V91-A111 HydrophobicContact CG2-CB 4.21Å
92S95.7Very high94.6Very high29 Ų2948.6 Ų48.620%0.20331%0.307CS..  trans-78.5-61.2177.560.40000111.8P74 E110P74-S92 VanDerWaalsContact CA-O 3.24Å; P74-S92 WeakPolarHBondContact CA-O 3.43Å; P74-S92 VanDerWaalsContact CD-O 3.25Å; P74-S92 WeakPolarHBondContact CD-O 3.38Å; P74-S92 WeakPolarHBondContact CG-O 3.33Å; P74-S92 VanDerWaalsContact N-O 3.15Å; S92-E110 PolarHBondContact N-O 3.24Å; S92-E110 WeakPolarHBondContact OG-CB 3.44Å; S92-E110 PolarHBondContact OG-N 3.02Å; S92-E110 VanDerWaalsContact OG-N 3.1Å; S92-E110 PolarHBondContact OG-O 2.92Å
93S96.2Very high95Very high37 Ų3745.5 Ų45.526%0.25929%0.292SS..SBendtrans-150.8174.3-176.889.90000108.7V91 A108 E109V91-S93 WeakPolarHBondContact CG1-O 3.3Å; S93-A108 CarbonylContact O-C 3.53Å; S93-A108 VanDerWaalsContact O-CA 3.27Å; S93-A108 WeakPolarHBondContact O-CA 3.32Å; S93-E109 PolarHBondContact O-N 2.96Å; S93-E109 VanDerWaalsContact OG-CB 3.24Å; S93-E109 WeakPolarHBondContact OG-CB 3.34Å; S93-E109 PolarHBondContact OG-OE2 2.92Å
94G97.1Very high95.5Very high24 Ų2439.5 Ų39.525%0.24726%0.26CS..EExtended strand (participates in β ladder)trans149.4-155.3172.700000113.4V71 L72 L107V71-G94 WeakPolarHBondContact CA-O 3.45Å; L72-G94 PolarHBondContact N-O 3.26Å; G94-L107 CarbonylContact C-O 3.6Å; G94-L107 WeakPolarHBondContact CA-O 3.48Å
95S97.7Very high96.1Very high45 Ų4540.7 Ų40.732%0.31525%0.251SS..EExtended strand (participates in β ladder)trans-137.1155.1176.1660000112.2Q70 L107Q70-S95 CarbonylContact O-C 3.58Å; Q70-S95 WeakPolarHBondContact O-CA 3.46Å; S95-L107 PolarHBondContact N-O 2.63Å; S95-L107 PolarHBondContact O-N 2.73Å
96V97.9Very high96.3Very high1 Ų138.4 Ų38.41%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-125.1130.1169.361.80000109.3V52 T54 I61 Q70 L72 V104 Q105V52-V96 HydrophobicContact CG2-CG1 4.46Å; T54-V96 HydrophobicContact CG2-CG1 4.26Å; I61-V96 HydrophobicContact CD1-CG2 3.85Å; Q70-V96 HydrophobicContact CB-CG1 3.93Å; Q70-V96 PolarHBondContact N-O 3.47Å; Q70-V96 PolarHBondContact O-N 2.96Å; L72-V96 HydrophobicContact CD2-CB 4.12Å; L72-V96 HydrophobicContact CD2-CG1 4.06Å; V96-V104 HydrophobicContact CG2-CG1 4.21Å; V96-Q105 CarbonylContact C-O 3.59Å; V96-Q105 WeakPolarHBondContact CA-O 3.24Å
97T97.9Very high96.5Very high29 Ų2938.9 Ų38.918%0.17823%0.232CC..EExtended strand (participates in β ladder)trans-121.3123.7176.9-56.40000109.2L69 V104 Q105L69-T97 HydrophobicContact CD2-CG2 3.43Å; L69-T97 VanDerWaalsContact CD2-CG2 3.43Å; L69-T97 WeakPolarHBondContact CD2-OG1 3.46Å; T97-V104 CarbonylContact O-C 3.51Å; T97-V104 VanDerWaalsContact O-CA 3.29Å; T97-V104 WeakPolarHBondContact O-CA 3.39Å; T97-Q105 PolarHBondContact N-O 3.5Å; T97-Q105 PolarHBondContact O-N 3.17Å
98V97.4Very high96.6Very high5 Ų538 Ų383%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-112121.6171.5-178.50000107.4I61 H65 P67 T68 V104I61-V98 HydrophobicContact CD1-CG2 3.82Å; I61-V98 HydrophobicContact CG1-CG2 4.32Å; I61-V98 HydrophobicContact CG2-CG2 4.09Å; H65-V98 HydrophobicContact CB-CG1 4.26Å; P67-V98 CarbonylContact C-O 3.6Å; P67-V98 WeakPolarHBondContact CA-O 3.25Å; P67-V98 WeakPolarHBondContact CB-O 3.2Å; T68-V98 PolarHBondContact N-O 3.26Å; T68-V98 PolarHBondContact O-N 3.2Å; V98-V104 HydrophobicContact CB-CG2 4.4Å; V98-V104 HydrophobicContact CG1-CG2 4.1Å; V98-V104 HydrophobicContact CG2-CG1 4.21Å; V98-V104 HydrophobicContact CG2-CG2 4.06Å
99N96.3Very high96.6Very high54 Ų5438.8 Ų38.829%0.28923%0.23SC..  trans-98.9166.7-179.3-64.5-51.4000111.8D101 S102 S103N99-D101 WeakPolarHBondContact CB-OD1 3.45Å; N99-D101 PolarHBondContact O-N 3.45Å; N99-S102 PolarHBondContact O-N 2.9Å; N99-S103 WeakPolarHBondContact CB-OG 3.32Å; N99-S103 PolarHBondContact N-O 2.94Å; N99-S103 PolarHBondContact ND2-OG 2.92Å
100A93.6Very high96.5Very high91 Ų9143.6 Ų43.675%0.75225%0.254SS*.THydrogen-bonded Turntrans-68-20.5-179.600000114.1P67 S102P67-A100 HydrophobicContact CG-CB 3.9Å; A100-S102 PolarHBondContact O-N 3.49Å
101D92.3Very high96.4Very high120 Ų12043.5 Ų43.564%0.64226%0.255SS*.THydrogen-bonded Turntrans-84.99.7175.364.1-2.3000113.2N99 S103N99-D101 WeakPolarHBondContact CB-OD1 3.45Å; N99-D101 PolarHBondContact O-N 3.45Å; D101-S103 PolarHBondContact O-N 3.36Å; D101-S103 VanDerWaalsContact OD1-CB 3.27Å; D101-S103 WeakPolarHBondContact OD1-CB 3.32Å; D101-S103 PolarHBondContact OD1-N 2.8Å; D101-S103 PolarHBondContact OD1-OG 2.79Å; D101-S103 PolarHBondContact OD2-OG 3.04Å
102S91.6Very high96.4Very high26 Ų2645.7 Ų45.718%0.18227%0.269CS..SBendtrans63.417.9-173.5-54.20000114.7M30 S31 A64 N99 A100M30-S102 WeakPolarHBondContact CA-O 3.49Å; M30-S102 WeakPolarHBondContact CB-O 3.46Å; S31-S102 PolarHBondContact N-O 3.03Å; A64-S102 PolarHBondContact N-OG 3.41Å; N99-S102 PolarHBondContact O-N 2.9Å; A100-S102 PolarHBondContact O-N 3.49Å
103S95.4Very high96.4Very high20 Ų2045.6 Ų45.614%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-76.7136.416466.30000110.6S31 N99 D101S31-S103 CarbonylContact O-C 3.59Å; S31-S103 WeakPolarHBondContact O-CA 3.25Å; N99-S103 WeakPolarHBondContact CB-OG 3.32Å; N99-S103 PolarHBondContact N-O 2.94Å; N99-S103 PolarHBondContact ND2-OG 2.92Å; D101-S103 PolarHBondContact O-N 3.36Å; D101-S103 VanDerWaalsContact OD1-CB 3.27Å; D101-S103 WeakPolarHBondContact OD1-CB 3.32Å; D101-S103 PolarHBondContact OD1-N 2.8Å; D101-S103 PolarHBondContact OD1-OG 2.79Å; D101-S103 PolarHBondContact OD2-OG 3.04Å
104V97.7Very high96.3Very high2 Ų245.5 Ų45.51%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-128.3125.3-178.9-179.30000109.4M30 S31 F32 T33 I61 V96 T97 V98M30-V104 HydrophobicContact CE-CB 3.54Å; M30-V104 HydrophobicContact CE-CG1 3.99Å; M30-V104 HydrophobicContact CE-CG2 3.36Å; M30-V104 HydrophobicContact SD-CG2 4.45Å; S31-V104 PolarHBondContact O-N 3.48Å; F32-V104 WeakPolarHBondContact CA-O 3.49Å; F32-V104 HydrophobicContact CD2-CB 4.04Å; F32-V104 HydrophobicContact CD2-CG1 3.89Å; F32-V104 HydrophobicContact CE2-CG1 4.1Å; T33-V104 PolarHBondContact N-O 2.84Å; I61-V104 HydrophobicContact CD1-CG1 4.15Å; I61-V104 HydrophobicContact CG2-CG2 3.96Å; V96-V104 HydrophobicContact CG2-CG1 4.21Å; T97-V104 CarbonylContact O-C 3.51Å; T97-V104 VanDerWaalsContact O-CA 3.29Å; T97-V104 WeakPolarHBondContact O-CA 3.39Å; V98-V104 HydrophobicContact CB-CG2 4.4Å; V98-V104 HydrophobicContact CG1-CG2 4.1Å; V98-V104 HydrophobicContact CG2-CG1 4.21Å; V98-V104 HydrophobicContact CG2-CG2 4.06Å
105Q98Very high96.2Very high78 Ų7851.1 Ų51.136%0.36429%0.288SS..EExtended strand (participates in β ladder)trans-118.3116.1179.5-61.2174.935.400108.6T33 V96 T97T33-Q105 CarbonylContact O-C 3.59Å; T33-Q105 WeakPolarHBondContact O-CA 3.23Å; V96-Q105 CarbonylContact C-O 3.59Å; V96-Q105 WeakPolarHBondContact CA-O 3.24Å; T97-Q105 PolarHBondContact N-O 3.5Å; T97-Q105 PolarHBondContact O-N 3.17Å
106L98.1Very high96Very high0 Ų055.4 Ų55.40%030%0.303CS..EExtended strand (participates in β ladder)trans-108.1110.4171.8-164.5149.7000107.8F32 T33 F34 A35 V52 L72 V77 A108F32-L106 HydrophobicContact CE2-CB 3.86Å; F32-L106 HydrophobicContact CZ-CB 4.07Å; F32-L106 HydrophobicContact CZ-CD1 4.49Å; T33-L106 PolarHBondContact O-N 3.35Å; F34-L106 VanDerWaalsContact CA-O 3.3Å; F34-L106 WeakPolarHBondContact CA-O 3.45Å; F34-L106 HydrophobicContact CB-CB 4.49Å; F34-L106 HydrophobicContact CD2-CB 4.19Å; F34-L106 HydrophobicContact CD2-CD2 3.28Å; F34-L106 HydrophobicContact CD2-CG 4.3Å; F34-L106 WeakPolarHBondContact CD2-O 3.19Å; F34-L106 HydrophobicContact CE2-CD2 3.27Å; F34-L106 HydrophobicContact CG-CD2 4.18Å; F34-L106 HydrophobicContact CZ-CD2 4.14Å; A35-L106 PolarHBondContact N-O 3.37Å; A35-L106 VanDerWaalsContact N-O 3.11Å; V52-L106 HydrophobicContact CB-CD1 4.37Å; V52-L106 HydrophobicContact CG1-CD1 3.42Å; V52-L106 VanDerWaalsContact CG1-CD1 3.42Å; L72-L106 HydrophobicContact CD1-CD1 4.48Å; L72-L106 HydrophobicContact CD1-CD2 3.76Å; L72-L106 HydrophobicContact CD1-CG 3.96Å; V77-L106 HydrophobicContact CG1-CD1 4.01Å; V77-L106 HydrophobicContact CG2-CD1 3.96Å; V77-L106 HydrophobicContact CG2-CD2 4.46Å; L106-A108 HydrophobicContact CD2-CB 4.42Å
107L98.3Very high95.8Very high78 Ų7857.4 Ų57.441%0.40831%0.313SS..EExtended strand (participates in β ladder)trans-114.3105.3-178-59.8-179.5000107.8A35 G94 S95A35-L107 HydrophobicContact CB-CD2 4.19Å; A35-L107 WeakPolarHBondContact O-CA 3.45Å; G94-L107 CarbonylContact C-O 3.6Å; G94-L107 WeakPolarHBondContact CA-O 3.48Å; S95-L107 PolarHBondContact N-O 2.63Å; S95-L107 PolarHBondContact O-N 2.73Å
108A97.8Very high95.6Very high5 Ų560.7 Ų60.74%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-94.5147.5179.900000110.7F34 A35 S36 P37 V91 S93 L106 A111F34-A108 HydrophobicContact CE2-CB 3.86Å; A35-A108 PolarHBondContact O-N 3.36Å; S36-A108 VanDerWaalsContact CA-O 3.27Å; S36-A108 WeakPolarHBondContact CA-O 3.48Å; P37-A108 WeakPolarHBondContact CD-O 3.45Å; V91-A108 HydrophobicContact CB-CB 4.47Å; V91-A108 HydrophobicContact CG1-CB 3.52Å; V91-A108 HydrophobicContact CG2-CB 4.22Å; S93-A108 CarbonylContact O-C 3.53Å; S93-A108 VanDerWaalsContact O-CA 3.27Å; S93-A108 WeakPolarHBondContact O-CA 3.32Å; L106-A108 HydrophobicContact CD2-CB 4.42Å; A108-A111 HydrophobicContact CB-CB 3.94Å
109E96.5Very high95.4Very high127 Ų12762.8 Ų62.859%0.59334%0.342SS*.SBendtrans-72.2-50.1169.9-174.5170.3-170.300110.7P37 S93P37-E109 VanDerWaalsContact CD-O 3.24Å; P37-E109 WeakPolarHBondContact CD-O 3.36Å; S93-E109 PolarHBondContact O-N 2.96Å; S93-E109 VanDerWaalsContact OG-CB 3.24Å; S93-E109 WeakPolarHBondContact OG-CB 3.34Å; S93-E109 PolarHBondContact OG-OE2 2.92Å
110E95.7Very high95.3Very high134 Ų13463.4 Ų63.463%0.62636%0.355SS*.SBendtrans-129.5139.2167.5-55.6-173.4154.600109.8V91 S92V91-E110 WeakPolarHBondContact CA-O 3.36Å; S92-E110 PolarHBondContact N-O 3.24Å; S92-E110 WeakPolarHBondContact OG-CB 3.44Å; S92-E110 PolarHBondContact OG-N 3.02Å; S92-E110 VanDerWaalsContact OG-N 3.1Å; S92-E110 PolarHBondContact OG-O 2.92Å
111A96.9Very high95.4Very high8 Ų861.1 Ų61.17%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-142.5132.4177.600000109.2F34 F41 F90 V91 A108F34-A111 HydrophobicContact CE2-CB 3.84Å; F34-A111 HydrophobicContact CZ-CB 3.48Å; F34-A111 VanDerWaalsContact CZ-CB 3.48Å; F41-A111 HydrophobicContact CD2-CB 4.4Å; F41-A111 HydrophobicContact CE2-CB 3.57Å; F41-A111 HydrophobicContact CZ-CB 3.87Å; F41-A111 WeakPolarHBondContact CZ-O 3.48Å; F90-A111 CarbonylContact O-C 3.53Å; F90-A111 VanDerWaalsContact O-CA 3.3Å; F90-A111 WeakPolarHBondContact O-CA 3.43Å; V91-A111 HydrophobicContact CG2-CB 4.21Å; A108-A111 HydrophobicContact CB-CB 3.94Å
112V96.4Very high95.5Very high47 Ų4755.7 Ų55.729%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-139.4140.4-179.9-65.10000111Y89 F90 L117Y89-V112 CarbonylContact C-O 3.54Å; Y89-V112 WeakPolarHBondContact CA-O 3.42Å; F90-V112 HydrophobicContact CB-CG2 4.07Å; F90-V112 PolarHBondContact N-O 3.4Å; F90-V112 PolarHBondContact O-N 3.39Å; V112-L117 HydrophobicContact CG2-CD1 4.03Å; V112-L117 HydrophobicContact CG2-CD2 3.71Å; V112-L117 HydrophobicContact CG2-CG 3.84Å
113P96.1Very high95.7Very high26 Ų2658.5 Ų58.517%0.16932%0.317CS..EExtended strand (participates in β ladder)trans-57.4145.4165.8-27.738.9000112Y89 D115 Q116Y89-P113 HydrophobicContact CD1-CG 4.13Å; Y89-P113 HydrophobicContact CE1-CG 4.07Å; P113-D115 WeakPolarHBondContact CB-OD1 3.43Å; P113-D115 PolarHBondContact O-N 2.6Å; P113-Q116 HydrophobicContact CB-CG 4.35Å; P113-Q116 PolarHBondContact O-N 2.94Å; P113-Q116 VanDerWaalsContact O-N 3.15Å
114L94.3Very high95.7Very high36 Ų3660 Ų6019%0.18833%0.331CS..G310 helixtrans-64.2-26.9-176.5-65.3-177.7000113.8V76 K88 F90 Q116 L117 A158V76-L114 HydrophobicContact CG1-CD1 4.39Å; V76-L114 HydrophobicContact CG2-CD2 4.24Å; K88-L114 HydrophobicContact CB-CD1 3.55Å; K88-L114 HydrophobicContact CB-CG 4.02Å; K88-L114 HydrophobicContact CD-CD1 3.84Å; K88-L114 HydrophobicContact CG-CD1 4.36Å; F90-L114 HydrophobicContact CB-CD2 3.99Å; L114-Q116 PolarHBondContact O-N 2.91Å; L114-L117 HydrophobicContact CD2-CD1 4.18Å; L114-L117 PolarHBondContact O-N 3.28Å; L114-A158 HydrophobicContact CD2-CB 4.31Å
115D94.2Very high95.6Very high142 Ų14264 Ų6476%0.75935%0.352SS*.G310 helixtrans-71.5-1317862.1-34.4000113.7P113P113-D115 WeakPolarHBondContact CB-OD1 3.43Å; P113-D115 PolarHBondContact O-N 2.6Å
116Q93.3Very high95.5Very high134 Ų13461.4 Ų61.463%0.62634%0.341SS*.G310 helixtrans-93.4-3.2177-61.8-177.317.500113.3P113 L114P113-Q116 HydrophobicContact CB-CG 4.35Å; P113-Q116 PolarHBondContact O-N 2.94Å; P113-Q116 VanDerWaalsContact O-N 3.15Å; L114-Q116 PolarHBondContact O-N 2.91Å
117L93.6Very high95.4Very high44 Ų4467.4 Ų67.423%0.2337%0.369CS..  trans-95.7137.8-178.3-70.3172.4000111.6F90 V112 L114 I155 L159F90-L117 HydrophobicContact CB-CD1 3.67Å; F90-L117 HydrophobicContact CG-CD1 4.08Å; V112-L117 HydrophobicContact CG2-CD1 4.03Å; V112-L117 HydrophobicContact CG2-CD2 3.71Å; V112-L117 HydrophobicContact CG2-CG 3.84Å; L114-L117 HydrophobicContact CD2-CD1 4.18Å; L114-L117 PolarHBondContact O-N 3.28Å; L117-I155 HydrophobicContact CD1-CG2 4.36Å; L117-L159 HydrophobicContact CB-CD1 3.71Å; L117-L159 HydrophobicContact CB-CD2 3.79Å; L117-L159 HydrophobicContact CB-CG 4.33Å; L117-L159 HydrophobicContact CD1-CD1 4.48Å; L117-L159 HydrophobicContact CD1-CD2 4.16Å
118D94.4Very high95.3Very high97 Ų9769.9 Ų69.952%0.51938%0.376SS..  trans-102.8119174.6177.315000111.2A120 A121 A122D118-A120 VanDerWaalsContact C-N 3.32Å; D118-A120 PolarHBondContact O-N 3.36Å; D118-A120 WeakPolarHBondContact OD1-CB 3.17Å; D118-A120 PolarHBondContact OD1-N 3.05Å; D118-A121 HydrophobicContact CB-CB 4.03Å; D118-A121 PolarHBondContact O-N 2.85Å; D118-A121 PolarHBondContact OD2-N 3.1Å; D118-A122 WeakPolarHBondContact O-CB 3.24Å; D118-A122 PolarHBondContact O-N 2.89Å
119V93.4Very high95.2Very high49 Ų4969.7 Ų69.730%0.29737%0.374SS..Hα-helixtrans-62.4-38.6178.3-167.50000111.9A122 K123 L159V119-A122 PolarHBondContact O-N 3.05Å; V119-K123 HydrophobicContact CG1-CD 4.23Å; V119-K123 HydrophobicContact CG1-CG 4.48Å; V119-K123 WeakPolarHBondContact O-CG 3.27Å; V119-K123 PolarHBondContact O-N 3.36Å; V119-L159 HydrophobicContact CB-CD1 4.39Å; V119-L159 HydrophobicContact CG2-CB 3.59Å; V119-L159 HydrophobicContact CG2-CD1 3.8Å; V119-L159 HydrophobicContact CG2-CG 4.24Å
120A94.8Very high95.1Very high67 Ų6768 Ų6855%0.55437%0.367SS*.Hα-helixtrans-67.5-44.9-177.300000110.7D118 K123 A124D118-A120 VanDerWaalsContact C-N 3.32Å; D118-A120 PolarHBondContact O-N 3.36Å; D118-A120 WeakPolarHBondContact OD1-CB 3.17Å; D118-A120 PolarHBondContact OD1-N 3.05Å; A120-K123 PolarHBondContact O-N 2.89Å; A120-A124 WeakPolarHBondContact O-CB 3.41Å; A120-A124 PolarHBondContact O-N 2.77Å
121A94.6Very high95Very high44 Ų4465.9 Ų65.936%0.36437%0.366SS..Hα-helixtrans-60.9-43.6173.300000112.1D118 K123 A124 N125D118-A121 HydrophobicContact CB-CB 4.03Å; D118-A121 PolarHBondContact O-N 2.85Å; D118-A121 PolarHBondContact OD2-N 3.1Å; A121-K123 PolarHBondContact O-N 2.75Å; A121-A124 PolarHBondContact O-N 2.95Å; A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 VanDerWaalsContact O-CG 3.23Å; A121-N125 PolarHBondContact O-N 2.83Å; A121-N125 PolarHBondContact O-ND2 2.84Å
122A94Very high94.9Very high5 Ų568.4 Ų68.44%0.04138%0.377CS..Hα-helixtrans-61.6-43.4178.300000112.5D118 V119 N125 L126 I155 V156D118-A122 WeakPolarHBondContact O-CB 3.24Å; D118-A122 PolarHBondContact O-N 2.89Å; V119-A122 PolarHBondContact O-N 3.05Å; A122-N125 PolarHBondContact O-N 3.1Å; A122-L126 WeakPolarHBondContact O-CB 3.45Å; A122-L126 PolarHBondContact O-N 3.02Å; A122-I155 HydrophobicContact CB-CB 4.3Å; A122-I155 HydrophobicContact CB-CG2 3.55Å; A122-V156 HydrophobicContact CB-CG2 3.86Å
123K95.8Very high94.6Very high85 Ų8569.1 Ų69.137%0.3738%0.379SS..Hα-helixtrans-65.2-43176.6-72.7-177.5177.5-172.90112.2V119 A120 A121 N125 L126 E127 V156 E160V119-K123 HydrophobicContact CG1-CD 4.23Å; V119-K123 HydrophobicContact CG1-CG 4.48Å; V119-K123 WeakPolarHBondContact O-CG 3.27Å; V119-K123 PolarHBondContact O-N 3.36Å; A120-K123 PolarHBondContact O-N 2.89Å; A121-K123 PolarHBondContact O-N 2.75Å; K123-N125 VanDerWaalsContact C-N 3.32Å; K123-N125 PolarHBondContact O-N 3.15Å; K123-L126 WeakPolarHBondContact O-CB 3.44Å; K123-L126 PolarHBondContact O-N 2.94Å; K123-E127 WeakPolarHBondContact O-CG 3.27Å; K123-E127 PolarHBondContact O-N 3.44Å; K123-V156 HydrophobicContact CG-CG1 4.19Å; K123-V156 HydrophobicContact CG-CG2 3.78Å; K123-E160 VanDerWaalsContact CE-OE1 3.25Å; K123-E160 WeakPolarHBondContact CE-OE1 3.15Å; K123-E160 IonicContact NZ-OE1 3.06Å; K123-E160 PolarHBondContact NZ-OE1 3.44Å
124A96.9Very high94.2Very high53 Ų5372.5 Ų72.544%0.43841%0.409SS..Hα-helixtrans-62.1-40.2175.600000112.2A120 A121 K128A120-A124 WeakPolarHBondContact O-CB 3.41Å; A120-A124 PolarHBondContact O-N 2.77Å; A121-A124 PolarHBondContact O-N 2.95Å; A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 PolarHBondContact O-N 2.77Å
125N95.8Very high93.7Very high84 Ų8474 Ų7445%0.44943%0.434SS..Hα-helixtrans-66.6-40176.3-72.3-20.9000112.2A121 A122 K123 K128 A129 N152A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 VanDerWaalsContact O-CG 3.23Å; A121-N125 PolarHBondContact O-N 2.83Å; A121-N125 PolarHBondContact O-ND2 2.84Å; A122-N125 PolarHBondContact O-N 3.1Å; K123-N125 VanDerWaalsContact C-N 3.32Å; K123-N125 PolarHBondContact O-N 3.15Å; N125-K128 PolarHBondContact O-N 3.29Å; N125-A129 WeakPolarHBondContact O-CB 3.35Å; N125-A129 PolarHBondContact O-N 2.8Å; N125-N152 WeakPolarHBondContact CB-OD1 3.39Å
126L95.7Very high93.5Very high25 Ų2568 Ų6813%0.13140%0.403CS..Hα-helixtrans-59.1-51.8174.3-175.9169.8000110.9A122 K123 K128 A129 Q130 N152 E153 V156A122-L126 WeakPolarHBondContact O-CB 3.45Å; A122-L126 PolarHBondContact O-N 3.02Å; K123-L126 WeakPolarHBondContact O-CB 3.44Å; K123-L126 PolarHBondContact O-N 2.94Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 3.22Å; L126-A129 PolarHBondContact O-N 2.9Å; L126-A129 VanDerWaalsContact O-N 3.16Å; L126-Q130 HydrophobicContact CD2-CG 3.94Å; L126-Q130 VanDerWaalsContact CD2-NE2 3.26Å; L126-Q130 WeakPolarHBondContact O-CG 3.3Å; L126-Q130 PolarHBondContact O-N 2.62Å; L126-N152 HydrophobicContact CB-CB 3.94Å; L126-E153 HydrophobicContact CD1-CG 3.73Å; L126-E153 HydrophobicContact CG-CG 4.19Å; L126-V156 HydrophobicContact CD1-CG2 4.06Å
127E96.2Very high93.2Very high125 Ų12565.3 Ų65.358%0.58440%0.404SS*.Hα-helixtrans-59.6-39.8179.4-72.3175.7-17500111.9K123 S131K123-E127 WeakPolarHBondContact O-CG 3.27Å; K123-E127 PolarHBondContact O-N 3.44Å; E127-S131 WeakPolarHBondContact O-CB 3.41Å; E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 PolarHBondContact O-OG 3.35Å
128K95.8Very high93.2Very high130 Ų13068.7 Ų68.757%0.56542%0.423SS*.Hα-helixtrans-62.6-48.9174.4-177.8-176.8173.3-169.40111.4A124 N125 L126 Q130 S131 E132A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 PolarHBondContact O-N 2.77Å; N125-K128 PolarHBondContact O-N 3.29Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 3.22Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; K128-Q130 PolarHBondContact O-N 2.82Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.3Å; K128-S131 VanDerWaalsContact O-N 3.15Å; K128-E132 VanDerWaalsContact CE-OE1 3.22Å; K128-E132 WeakPolarHBondContact CE-OE1 3.24Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 2.81Å
129A95Very high93.2Very high1 Ų171.8 Ų71.81%0.00843%0.434CS..Hα-helixtrans-62.7-39.6179.800000111.9N125 L126 S131 E132 L133 V145 I149N125-A129 WeakPolarHBondContact O-CB 3.35Å; N125-A129 PolarHBondContact O-N 2.8Å; L126-A129 PolarHBondContact O-N 2.9Å; L126-A129 VanDerWaalsContact O-N 3.16Å; A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 3.11Å; A129-E132 PolarHBondContact O-N 3.26Å; A129-L133 PolarHBondContact O-N 3Å; A129-V145 WeakPolarHBondContact O-CG1 3.47Å; A129-I149 HydrophobicContact CB-CG1 3.68Å
130Q94.8Very high93.2Very high92 Ų9272.8 Ų72.843%0.4345%0.447SS..Hα-helixtrans-63.6-38.1173.8-73.8-177.9-13.800112.5L126 K128 L133 I149L126-Q130 HydrophobicContact CD2-CG 3.94Å; L126-Q130 VanDerWaalsContact CD2-NE2 3.26Å; L126-Q130 WeakPolarHBondContact O-CG 3.3Å; L126-Q130 PolarHBondContact O-N 2.62Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; K128-Q130 PolarHBondContact O-N 2.82Å; Q130-L133 WeakPolarHBondContact O-CB 3.19Å; Q130-L133 PolarHBondContact O-N 3.38Å; Q130-I149 HydrophobicContact CG-CD1 4.17Å; Q130-I149 HydrophobicContact CG-CG1 4.23Å; Q130-I149 HydrophobicContact CG-CG2 4.44Å
131S94.1Very high93.1Very high89 Ų8974.9 Ų74.962%0.62244%0.441SS*.Hα-helixtrans-67.3-37.5175.6-59.20000112.1E127 K128 A129 L133 A134E127-S131 WeakPolarHBondContact O-CB 3.41Å; E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 PolarHBondContact O-OG 3.35Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.3Å; K128-S131 VanDerWaalsContact O-N 3.15Å; A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 3.11Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 2.92Å; S131-A134 PolarHBondContact O-N 3.11Å
132E93.2Very high93.1Very high62 Ų6278.4 Ų78.429%0.2945%0.445SS..Hα-helixtrans-64.9-29.9175.8-72.6-179.3-160.600112.7K128 A129 A134 G135 A136 R141 V145K128-E132 VanDerWaalsContact CE-OE1 3.22Å; K128-E132 WeakPolarHBondContact CE-OE1 3.24Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 2.81Å; A129-E132 PolarHBondContact O-N 3.26Å; E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 3.05Å; E132-G135 PolarHBondContact O-N 3.34Å; E132-A136 PolarHBondContact O-N 2.93Å; E132-R141 IonicContact OE2-NH2 2.74Å; E132-R141 PolarHBondContact OE2-NH2 3.26Å; E132-V145 HydrophobicContact CB-CG1 4.25Å; E132-V145 HydrophobicContact CB-CG2 4.32Å
133L91.8Very high93.2Very high61 Ų6180.3 Ų80.332%0.31946%0.46SS..Hα-helixtrans-61.2-36-179.4-173.264.2000112.1A129 Q130 S131 G135 A136 V145 Q146 I149A129-L133 PolarHBondContact O-N 3Å; Q130-L133 WeakPolarHBondContact O-CB 3.19Å; Q130-L133 PolarHBondContact O-N 3.38Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 2.92Å; L133-G135 PolarHBondContact O-N 2.88Å; L133-A136 PolarHBondContact O-N 2.87Å; L133-V145 HydrophobicContact CB-CG1 3.8Å; L133-V145 HydrophobicContact CD1-CB 4.3Å; L133-V145 HydrophobicContact CD1-CG1 3.99Å; L133-V145 HydrophobicContact CG-CG1 4.5Å; L133-Q146 HydrophobicContact CD1-CG 4.09Å; L133-I149 HydrophobicContact CB-CD1 4.11Å; L133-I149 HydrophobicContact CD2-CD1 3.89Å; L133-I149 HydrophobicContact CG-CD1 4.44Å
134A85.8Confident93.2Very high98 Ų9881 Ų8181%0.8147%0.465SS*.THydrogen-bonded Turntrans-67.9-23.717800000113.2S131 E132S131-A134 PolarHBondContact O-N 3.11Å; E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 3.05Å
135G85.4Confident93.1Very high68 Ų6878.6 Ų78.670%0.70145%0.445SS*.THydrogen-bonded Turntrans-96-5.8179.700000114.8E132 L133 A137E132-G135 PolarHBondContact O-N 3.34Å; L133-G135 PolarHBondContact O-N 2.88Å; G135-A137 PolarHBondContact O-N 2.95Å
136A88.4Confident93.1Very high15 Ų1580 Ų8012%0.12445%0.449CS..  trans-80.9104.6-175.100000111.8E132 L133 R141 R142E132-A136 PolarHBondContact O-N 2.93Å; L133-A136 PolarHBondContact O-N 2.87Å; A136-R141 HydrophobicContact CB-CB 4.43Å; A136-R141 HydrophobicContact CB-CG 4.05Å; A136-R142 HydrophobicContact CB-CB 4.45Å; A136-R142 HydrophobicContact CB-CG 3.52Å; A136-R142 WeakPolarHBondContact O-CD 3.19Å; A136-R142 WeakPolarHBondContact O-CG 3.15Å; A136-R142 PolarHBondContact O-NE 2.87Å
137A87.3Confident93.1Very high78 Ų7883.9 Ų83.965%0.64547%0.468SS*.  trans-76.7-45.2-179.500000112.8G135 R142G135-A137 PolarHBondContact O-N 2.95Å; A137-R142 PolarHBondContact O-NE 3.17Å; A137-R142 PolarHBondContact O-NH2 3.34Å
138D94.1Very high93.1Very high115 Ų11581.3 Ų81.362%0.61546%0.458SS*.SBendtrans-84.5149.9-174.2-58.2-34.7000112.1R141 R142D138-R141 HydrophobicContact CB-CB 4.39Å; D138-R141 PolarHBondContact O-N 2.83Å; D138-R142 WeakPolarHBondContact O-CG 3.34Å; D138-R142 PolarHBondContact O-N 2.9Å
139E93.5Very high93.1Very high162 Ų16275.9 Ų75.976%0.75744%0.435SS*.Hα-helixtrans-63.1-43.9179.6-176.1175.8-175.900112R141 R142 A143E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 2.93Å; E139-R142 PolarHBondContact O-N 3.11Å; E139-A143 PolarHBondContact O-N 3.28Å
140A93.9Very high93.2Very high69 Ų6978.6 Ų78.657%0.5745%0.448SS*.Hα-helixtrans-58.9-44.9176.900000111.4R142 A143 E144A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 3.04Å; A140-A143 PolarHBondContact O-N 2.83Å; A140-E144 WeakPolarHBondContact O-CG 3.32Å; A140-E144 PolarHBondContact O-N 3.41Å
141R93.6Very high93.2Very high112 Ų11275.4 Ų75.442%0.42344%0.437SS..Hα-helixtrans-66.8-37.6178.5-172.260.6-172.1158.85.6111.9E132 A136 D138 E139 A143 E144 V145E132-R141 IonicContact OE2-NH2 2.74Å; E132-R141 PolarHBondContact OE2-NH2 3.26Å; A136-R141 HydrophobicContact CB-CB 4.43Å; A136-R141 HydrophobicContact CB-CG 4.05Å; D138-R141 HydrophobicContact CB-CB 4.39Å; D138-R141 PolarHBondContact O-N 2.83Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 2.93Å; R141-A143 VanDerWaalsContact C-N 3.35Å; R141-E144 WeakPolarHBondContact CD-OE2 3.3Å; R141-E144 IonicContact CZ-OE2 3.28Å; R141-E144 IonicContact NE-OE2 3.74Å; R141-E144 IonicContact NH1-OE2 2.63Å; R141-E144 PolarHBondContact NH1-OE2 2.83Å; R141-E144 PolarHBondContact O-N 3.04Å; R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.37Å; R141-V145 PolarHBondContact O-N 2.9Å
142R95.1Very high93.3Very high118 Ų11871.7 Ų71.745%0.44541%0.41SS..Hα-helixtrans-61.7-42.4173.2-80.1-176.9-91.4165.5-9.2111.9A136 A137 D138 E139 A140 V145 Q146A136-R142 HydrophobicContact CB-CB 4.45Å; A136-R142 HydrophobicContact CB-CG 3.52Å; A136-R142 WeakPolarHBondContact O-CD 3.19Å; A136-R142 WeakPolarHBondContact O-CG 3.15Å; A136-R142 PolarHBondContact O-NE 2.87Å; A137-R142 PolarHBondContact O-NE 3.17Å; A137-R142 PolarHBondContact O-NH2 3.34Å; D138-R142 WeakPolarHBondContact O-CG 3.34Å; D138-R142 PolarHBondContact O-N 2.9Å; E139-R142 PolarHBondContact O-N 3.11Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 3.04Å; R142-V145 PolarHBondContact O-N 2.85Å; R142-Q146 WeakPolarHBondContact O-CB 3.45Å; R142-Q146 VanDerWaalsContact O-CG 3.26Å; R142-Q146 WeakPolarHBondContact O-CG 3.34Å; R142-Q146 PolarHBondContact O-N 3.45Å
143A95.7Very high93.4Very high44 Ų4473 Ų7336%0.36442%0.416SS..Hα-helixtrans-63.6-44.4177.300000112E139 A140 R141 V145 Q146 I147E139-A143 PolarHBondContact O-N 3.28Å; A140-A143 PolarHBondContact O-N 2.83Å; R141-A143 VanDerWaalsContact C-N 3.35Å; A143-V145 PolarHBondContact O-N 2.86Å; A143-Q146 PolarHBondContact O-N 3.2Å; A143-I147 WeakPolarHBondContact O-CG1 3.34Å; A143-I147 PolarHBondContact O-N 3.26Å
144E94.4Very high93.7Very high101 Ų10171.1 Ų71.147%0.47241%0.409SS..Hα-helixtrans-58.8-45.8175.1-71.6171.8-175.200112.2A140 R141 Q146 I147 N148A140-E144 WeakPolarHBondContact O-CG 3.32Å; A140-E144 PolarHBondContact O-N 3.41Å; R141-E144 WeakPolarHBondContact CD-OE2 3.3Å; R141-E144 IonicContact CZ-OE2 3.28Å; R141-E144 IonicContact NE-OE2 3.74Å; R141-E144 IonicContact NH1-OE2 2.63Å; R141-E144 PolarHBondContact NH1-OE2 2.83Å; R141-E144 PolarHBondContact O-N 3.04Å; E144-Q146 VanDerWaalsContact C-N 3.33Å; E144-Q146 PolarHBondContact O-N 2.88Å; E144-I147 PolarHBondContact O-N 2.81Å; E144-N148 PolarHBondContact O-N 2.83Å
145V96.4Very high94.1Very high2 Ų267.9 Ų67.91%0.01238%0.378CS..Hα-helixtrans-66-38.8179.1175.70000110.8A129 E132 L133 R141 R142 A143 N148 I149A129-V145 WeakPolarHBondContact O-CG1 3.47Å; E132-V145 HydrophobicContact CB-CG1 4.25Å; E132-V145 HydrophobicContact CB-CG2 4.32Å; L133-V145 HydrophobicContact CB-CG1 3.8Å; L133-V145 HydrophobicContact CD1-CB 4.3Å; L133-V145 HydrophobicContact CD1-CG1 3.99Å; L133-V145 HydrophobicContact CG-CG1 4.5Å; R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.37Å; R141-V145 PolarHBondContact O-N 2.9Å; R142-V145 PolarHBondContact O-N 2.85Å; A143-V145 PolarHBondContact O-N 2.86Å; V145-N148 WeakPolarHBondContact O-CB 3.04Å; V145-N148 PolarHBondContact O-N 3.03Å; V145-I149 HydrophobicContact CG1-CD1 3.99Å; V145-I149 HydrophobicContact CG1-CG1 4.41Å; V145-I149 VanDerWaalsContact O-CG1 3.32Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 3.31Å
146Q95.9Very high94.6Very high114 Ų11465.2 Ų65.253%0.53335%0.349SS..Hα-helixtrans-62.2-43.8174.9-76.7173.1-3.900112.4L133 R142 A143 E144 N148 I149 E150L133-Q146 HydrophobicContact CD1-CG 4.09Å; R142-Q146 WeakPolarHBondContact O-CB 3.45Å; R142-Q146 VanDerWaalsContact O-CG 3.26Å; R142-Q146 WeakPolarHBondContact O-CG 3.34Å; R142-Q146 PolarHBondContact O-N 3.45Å; A143-Q146 PolarHBondContact O-N 3.2Å; E144-Q146 VanDerWaalsContact C-N 3.33Å; E144-Q146 PolarHBondContact O-N 2.88Å; Q146-N148 VanDerWaalsContact C-N 3.26Å; Q146-N148 PolarHBondContact O-N 2.99Å; Q146-I149 PolarHBondContact O-N 2.84Å; Q146-E150 WeakPolarHBondContact O-CB 3.42Å; Q146-E150 PolarHBondContact O-N 3.1Å
147I95.5Very high95Very high106 Ų10672.4 Ų72.454%0.54438%0.377SS..Hα-helixtrans-60-41174.4-67.8163000110.3A143 E144 E150 A151A143-I147 WeakPolarHBondContact O-CG1 3.34Å; A143-I147 PolarHBondContact O-N 3.26Å; E144-I147 PolarHBondContact O-N 2.81Å; I147-E150 PolarHBondContact O-N 3.34Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 2.94Å
148N95.4Very high95.3Very high71 Ų7169.8 Ų69.838%0.3836%0.355SS..Hα-helixtrans-66.5-41.8178.3-166.819.5000112.2E144 V145 Q146 A151 N152E144-N148 PolarHBondContact O-N 2.83Å; V145-N148 WeakPolarHBondContact O-CB 3.04Å; V145-N148 PolarHBondContact O-N 3.03Å; Q146-N148 VanDerWaalsContact C-N 3.26Å; Q146-N148 PolarHBondContact O-N 2.99Å; N148-A151 PolarHBondContact O-N 3.12Å; N148-N152 PolarHBondContact O-N 3.33Å; N148-N152 PolarHBondContact O-ND2 2.92Å; N148-N152 PolarHBondContact OD1-ND2 2.94Å
149I96.6Very high95.2Very high15 Ų1566.3 Ų66.38%0.07734%0.336CS..Hα-helixtrans-60-49.5173.7-69.6166.8000109.7A129 Q130 L133 V145 Q146 A151 N152 E153A129-I149 HydrophobicContact CB-CG1 3.68Å; Q130-I149 HydrophobicContact CG-CD1 4.17Å; Q130-I149 HydrophobicContact CG-CG1 4.23Å; Q130-I149 HydrophobicContact CG-CG2 4.44Å; L133-I149 HydrophobicContact CB-CD1 4.11Å; L133-I149 HydrophobicContact CD2-CD1 3.89Å; L133-I149 HydrophobicContact CG-CD1 4.44Å; V145-I149 HydrophobicContact CG1-CD1 3.99Å; V145-I149 HydrophobicContact CG1-CG1 4.41Å; V145-I149 VanDerWaalsContact O-CG1 3.32Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 3.31Å; Q146-I149 PolarHBondContact O-N 2.84Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 3.45Å; I149-N152 PolarHBondContact O-N 2.62Å; I149-E153 HydrophobicContact CG2-CG 4.14Å; I149-E153 VanDerWaalsContact CG2-OE1 3.32Å; I149-E153 WeakPolarHBondContact CG2-OE1 3.43Å; I149-E153 WeakPolarHBondContact O-CB 3.05Å; I149-E153 WeakPolarHBondContact O-CG 3.32Å; I149-E153 PolarHBondContact O-N 3.34Å
150E95.7Very high94.9Very high59 Ų5967 Ų6728%0.27634%0.34SS..Hα-helixtrans-57.3-44179.7178.2179.6-178.300112.3R73 Q146 I147 A154R73-E150 IonicContact CZ-OE1 2.73Å; R73-E150 IonicContact NE-OE1 2.73Å; R73-E150 PolarHBondContact NE-OE1 3.02Å; R73-E150 IonicContact NH2-OE1 3.99Å; R73-E150 PolarHBondContact NH2-OE1 3.24Å; Q146-E150 WeakPolarHBondContact O-CB 3.42Å; Q146-E150 PolarHBondContact O-N 3.1Å; I147-E150 PolarHBondContact O-N 3.34Å; E150-A154 WeakPolarHBondContact O-CB 3.29Å; E150-A154 PolarHBondContact O-N 3.37Å
151A95.5Very high94.9Very high24 Ų2467 Ų6720%0.19833%0.328CS..Hα-helixtrans-64.1-47.5177.200000112P74 I147 N148 I149 A154 I155P74-A151 HydrophobicContact CB-CB 4.25Å; P74-A151 HydrophobicContact CG-CB 4.09Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 2.94Å; N148-A151 PolarHBondContact O-N 3.12Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 3.45Å; A151-A154 WeakPolarHBondContact O-CB 3.24Å; A151-A154 PolarHBondContact O-N 3.17Å; A151-I155 WeakPolarHBondContact O-CG1 3.13Å; A151-I155 PolarHBondContact O-N 3.31Å
152N96.4Very high95Very high11 Ų1164.6 Ų64.66%0.05932%0.323CS..Hα-helixtrans-68.2-37.8179.8-73.7-76.4000112.4N125 L126 N148 I149 A154 I155 V156N125-N152 WeakPolarHBondContact CB-OD1 3.39Å; L126-N152 HydrophobicContact CB-CB 3.94Å; N148-N152 PolarHBondContact O-N 3.33Å; N148-N152 PolarHBondContact O-ND2 2.92Å; N148-N152 PolarHBondContact OD1-ND2 2.94Å; I149-N152 PolarHBondContact O-N 2.62Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.5Å; N152-I155 PolarHBondContact O-N 2.9Å; N152-V156 WeakPolarHBondContact O-CG2 3.3Å; N152-V156 PolarHBondContact O-N 3.34Å
153E96.1Very high95Very high90 Ų9061.6 Ų61.642%0.42132%0.317SS..Hα-helixtrans-59.9-41.8172.3-78-179.7179.300111.4L126 I149 V156 K157L126-E153 HydrophobicContact CD1-CG 3.73Å; L126-E153 HydrophobicContact CG-CG 4.19Å; I149-E153 HydrophobicContact CG2-CG 4.14Å; I149-E153 VanDerWaalsContact CG2-OE1 3.32Å; I149-E153 WeakPolarHBondContact CG2-OE1 3.43Å; I149-E153 WeakPolarHBondContact O-CB 3.05Å; I149-E153 WeakPolarHBondContact O-CG 3.32Å; I149-E153 PolarHBondContact O-N 3.34Å; E153-V156 PolarHBondContact O-N 2.96Å; E153-K157 VanDerWaalsContact O-CB 3.32Å; E153-K157 WeakPolarHBondContact O-CB 3.37Å; E153-K157 PolarHBondContact O-N 2.87Å
154A96.1Very high95Very high21 Ų2162.6 Ų62.617%0.17431%0.314CS..Hα-helixtrans-63.9-39.2175.400000112.3P74 F90 E150 A151 N152 A158P74-A154 HydrophobicContact CB-CB 3.96Å; F90-A154 HydrophobicContact CE2-CB 4.06Å; F90-A154 HydrophobicContact CZ-CB 4.11Å; E150-A154 WeakPolarHBondContact O-CB 3.29Å; E150-A154 PolarHBondContact O-N 3.37Å; A151-A154 WeakPolarHBondContact O-CB 3.24Å; A151-A154 PolarHBondContact O-N 3.17Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.5Å; A154-A158 WeakPolarHBondContact O-CB 3.37Å; A154-A158 PolarHBondContact O-N 2.92Å
155I95.8Very high95Very high30 Ų3060.3 Ų60.315%0.15430%0.304CS..Hα-helixtrans-63.5-49.5175.2-65.8169.5000110.4F90 L117 A122 A151 N152 K157 A158 L159F90-I155 HydrophobicContact CD1-CG1 4.08Å; F90-I155 HydrophobicContact CD2-CG1 4.28Å; F90-I155 HydrophobicContact CE1-CD1 4.06Å; F90-I155 HydrophobicContact CE1-CG1 3.45Å; F90-I155 VanDerWaalsContact CE1-CG1 3.45Å; F90-I155 HydrophobicContact CE2-CB 4.32Å; F90-I155 HydrophobicContact CE2-CG1 3.69Å; F90-I155 HydrophobicContact CG-CG1 4.46Å; F90-I155 HydrophobicContact CZ-CB 4.29Å; F90-I155 HydrophobicContact CZ-CD1 4.24Å; F90-I155 HydrophobicContact CZ-CG1 3.24Å; L117-I155 HydrophobicContact CD1-CG2 4.36Å; A122-I155 HydrophobicContact CB-CB 4.3Å; A122-I155 HydrophobicContact CB-CG2 3.55Å; A151-I155 WeakPolarHBondContact O-CG1 3.13Å; A151-I155 PolarHBondContact O-N 3.31Å; N152-I155 PolarHBondContact O-N 2.9Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 2.87Å; I155-A158 WeakPolarHBondContact O-CB 3.27Å; I155-A158 PolarHBondContact O-N 3.08Å; I155-A158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.26Å
156V96.1Very high94.9Very high13 Ų1364.1 Ų64.18%0.07932%0.323CS..Hα-helixtrans-58.7-46.8179.3172.40000110.3A122 K123 L126 N152 E153 A158 L159 E160A122-V156 HydrophobicContact CB-CG2 3.86Å; K123-V156 HydrophobicContact CG-CG1 4.19Å; K123-V156 HydrophobicContact CG-CG2 3.78Å; L126-V156 HydrophobicContact CD1-CG2 4.06Å; N152-V156 WeakPolarHBondContact O-CG2 3.3Å; N152-V156 PolarHBondContact O-N 3.34Å; E153-V156 PolarHBondContact O-N 2.96Å; V156-A158 VanDerWaalsContact C-N 3.25Å; V156-A158 PolarHBondContact O-N 3.24Å; V156-L159 PolarHBondContact O-N 3.43Å; V156-L159 VanDerWaalsContact O-N 3.13Å; V156-E160 HydrophobicContact CG1-CG 4.32Å; V156-E160 WeakPolarHBondContact O-CG 3.5Å; V156-E160 PolarHBondContact O-N 3.28Å
157K95.2Very high94.8Very high166 Ų16660.6 Ų60.672%0.72231%0.308SS*.Hα-helixtrans-63.1-29.6177.4-175.1178.2179-177.20113.4E153 I155 L159E153-K157 VanDerWaalsContact O-CB 3.32Å; E153-K157 WeakPolarHBondContact O-CB 3.37Å; E153-K157 PolarHBondContact O-N 2.87Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 2.87Å; K157-L159 VanDerWaalsContact C-N 3.28Å
158A94.2Very high94.8Very high23 Ų2357.1 Ų57.119%0.1929%0.29CS..Hα-helixtrans-73-22.517800000113.1V76 F90 L114 A154 I155 V156V76-A158 HydrophobicContact CG2-CB 3.41Å; V76-A158 VanDerWaalsContact CG2-CB 3.41Å; F90-A158 HydrophobicContact CD2-CB 3.95Å; F90-A158 HydrophobicContact CE2-CB 4.35Å; L114-A158 HydrophobicContact CD2-CB 4.31Å; A154-A158 WeakPolarHBondContact O-CB 3.37Å; A154-A158 PolarHBondContact O-N 2.92Å; I155-A158 WeakPolarHBondContact O-CB 3.27Å; I155-A158 PolarHBondContact O-N 3.08Å; I155-A158 VanDerWaalsContact O-N 3.09Å; V156-A158 VanDerWaalsContact C-N 3.25Å; V156-A158 PolarHBondContact O-N 3.24Å
159L92.5Very high94.7Very high41 Ų4155.9 Ų55.922%0.21528%0.283CS..Hα-helixtrans-106.5-11.4-173.6-58.3168.4000114.4L117 V119 I155 V156 K157L117-L159 HydrophobicContact CB-CD1 3.71Å; L117-L159 HydrophobicContact CB-CD2 3.79Å; L117-L159 HydrophobicContact CB-CG 4.33Å; L117-L159 HydrophobicContact CD1-CD1 4.48Å; L117-L159 HydrophobicContact CD1-CD2 4.16Å; V119-L159 HydrophobicContact CB-CD1 4.39Å; V119-L159 HydrophobicContact CG2-CB 3.59Å; V119-L159 HydrophobicContact CG2-CD1 3.8Å; V119-L159 HydrophobicContact CG2-CG 4.24Å; I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.26Å; V156-L159 PolarHBondContact O-N 3.43Å; V156-L159 VanDerWaalsContact O-N 3.13Å; K157-L159 VanDerWaalsContact C-N 3.28Å
160E86.6Confident94.6Very high178 Ų17859.6 Ų59.683%0.83230%0.302SS*.  trans-84.10172.2-70.4-177.5162.700112.3K123 V156K123-E160 VanDerWaalsContact CE-OE1 3.25Å; K123-E160 WeakPolarHBondContact CE-OE1 3.15Å; K123-E160 IonicContact NZ-OE1 3.06Å; K123-E160 PolarHBondContact NZ-OE1 3.44Å; V156-E160 HydrophobicContact CG1-CG 4.32Å; V156-E160 WeakPolarHBondContact O-CG 3.5Å; V156-E160 PolarHBondContact O-N 3.28Å

Retrieved 160 of 160 residues in 368.5 ms (Link to these results)