A0A3B3TSQ3_9TELE Loading...

ATP synthase-coupling factor 6, mitochondrial

Mitochondrial membrane ATP synthase (F(1)F(0) ATP synthase or Complex V) 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. Subunit F6, 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. Part of the complex F(0) domain. Part of the complex F(0) domain and the peripheric stalk, which acts as a stator to hold the catalytic alpha(3)beta(3) subcomplex and subunit a/ATP6 static relative to the rotary elements.

AlphaFold DB , UniProt , Accession A0A3B3TSQ3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 107 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
1M60.1Low68.2Low219 Ų219125.1 Ų125.1100%1.07963%0.63SS**  0-9.40-91.5-167.4159.800115.3
2S63.8Low69.4Low85 Ų85124.3 Ų124.359%0.59463%0.628SS**Hα-helixtrans-81.6-35.9-179.351.60000114.7H4 R5 L6S2-H4 PolarHBondContact O-N 3.45Å; S2-R5 PolarHBondContact O-N 3.17Å; S2-R5 VanDerWaalsContact O-N 3.17Å; S2-L6 PolarHBondContact O-N 3.28Å
3L62.2Low70.3Confident134 Ų134123.8 Ų123.870%0.70263%0.628SS**Hα-helixtrans-63.3-36.5-177-72.8163.6000113.7R5 L6 F7L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.39Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-F7 PolarHBondContact O-N 3.13Å; L3-F7 VanDerWaalsContact O-N 3.07Å
4H64.9Low70.9Confident135 Ų135129.1 Ų129.163%0.62564%0.636SS**Hα-helixtrans-68.8-31.2177.7-155.5-62.1000112S2 Q8S2-H4 PolarHBondContact O-N 3.45Å; H4-Q8 WeakPolarHBondContact O-CG 3.32Å; H4-Q8 PolarHBondContact O-N 3.07Å; H4-Q8 VanDerWaalsContact O-N 3.13Å
5R66.6Low71.5Confident191 Ų191125.5 Ų125.572%0.72163%0.629SS**Hα-helixtrans-72.6-36.2174.5-65.6-163.4179.2-154.41.6111.8S2 L3 Q8 L9S2-R5 PolarHBondContact O-N 3.17Å; S2-R5 VanDerWaalsContact O-N 3.17Å; L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.39Å; R5-Q8 PolarHBondContact O-N 3.04Å; R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 3.17Å
6L68.3Low72Confident109 Ų109121.1 Ų121.157%0.57162%0.618SS**Hα-helixtrans-64.3-39.1173-76161.8000112.3S2 L3 S10S2-L6 PolarHBondContact O-N 3.28Å; L3-L6 PolarHBondContact O-N 3.47Å; L6-S10 WeakPolarHBondContact O-CB 3.07Å; L6-S10 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-OG 3.39Å
7F68.3Low72.5Confident164 Ų164118.4 Ų118.472%0.71961%0.608SS**Hα-helixtrans-69.2-34.9176.1-124.6-86.5000113.1L3 S10 S11L3-F7 PolarHBondContact O-N 3.13Å; L3-F7 VanDerWaalsContact O-N 3.07Å; F7-S10 PolarHBondContact O-OG 3.46Å; F7-S11 WeakPolarHBondContact O-CB 3.22Å; F7-S11 PolarHBondContact O-N 2.9Å; F7-S11 VanDerWaalsContact O-N 3.08Å
8Q71.6Confident72.8Confident111 Ų111114.2 Ų114.252%0.51959%0.591SS.*Hα-helixtrans-69.6-43.8174.8-69.3-102.1-17.700111.1H4 R5 S10 S11 L12H4-Q8 WeakPolarHBondContact O-CG 3.32Å; H4-Q8 PolarHBondContact O-N 3.07Å; H4-Q8 VanDerWaalsContact O-N 3.13Å; R5-Q8 PolarHBondContact O-N 3.04Å; Q8-S10 VanDerWaalsContact C-N 3.35Å; Q8-S10 PolarHBondContact O-N 3.43Å; Q8-S11 WeakPolarHBondContact O-CB 3.35Å; Q8-S11 PolarHBondContact O-N 2.96Å; Q8-L12 WeakPolarHBondContact O-CG 3.45Å; Q8-L12 PolarHBondContact O-N 3.32Å
9L73.3Confident72.9Confident108 Ų108113.8 Ų113.857%0.56559%0.589SS**Hα-helixtrans-62.6-41.1175.1-75.2165.5000111.9R5 S11 L12 L13R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 3.17Å; L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 2.92Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.08Å
10S76.1Confident72.9Confident48 Ų48112.3 Ų112.334%0.33659%0.585SS.*Hα-helixtrans-67-34.7177.373.30000112.5L6 F7 Q8 R14L6-S10 WeakPolarHBondContact O-CB 3.07Å; L6-S10 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-OG 3.39Å; F7-S10 PolarHBondContact O-OG 3.46Å; Q8-S10 VanDerWaalsContact C-N 3.35Å; Q8-S10 PolarHBondContact O-N 3.43Å; S10-R14 WeakPolarHBondContact O-CB 3.45Å; S10-R14 VanDerWaalsContact O-CG 3.22Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-N 3.34Å
11S75.6Confident72.8Confident72 Ų72112 Ų11250%0.50358%0.584SS.*Hα-helixtrans-63.5-47.2173.2174.20000112.1F7 Q8 L9 L13 R14 S15F7-S11 WeakPolarHBondContact O-CB 3.22Å; F7-S11 PolarHBondContact O-N 2.9Å; F7-S11 VanDerWaalsContact O-N 3.08Å; Q8-S11 WeakPolarHBondContact O-CB 3.35Å; Q8-S11 PolarHBondContact O-N 2.96Å; L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 2.94Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 2.94Å; S11-R14 PolarHBondContact O-N 3.31Å; S11-S15 WeakPolarHBondContact O-CB 3.41Å; S11-S15 PolarHBondContact O-N 3.38Å
12L81.8Confident73.3Confident115 Ų115110.2 Ų110.260%0.60257%0.565SS**Hα-helixtrans-64.1-39.9177.5-65.9174.5000111.7Q8 L9 S15 A16Q8-L12 WeakPolarHBondContact O-CG 3.45Å; Q8-L12 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-N 3.38Å; L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.48Å
13L81.2Confident73.6Confident119 Ų119116.3 Ų116.362%0.62358%0.575SS**Hα-helixtrans-67.8-42.7178.1-152.4132.6000111.4L9 S11 S15 A16 V17L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.08Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 2.94Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 2.89Å; L13-A16 PolarHBondContact O-N 3.44Å; L13-V17 HydrophobicContact CD2-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.9Å
14R78.4Confident73.8Confident197 Ų197113.2 Ų113.274%0.74356%0.559SS**Hα-helixtrans-60.8-40172.4-77176.7178-146.10.5112S10 S11 S18S10-R14 WeakPolarHBondContact O-CB 3.45Å; S10-R14 VanDerWaalsContact O-CG 3.22Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-N 3.34Å; S11-R14 PolarHBondContact O-N 3.31Å; R14-S18 WeakPolarHBondContact O-CB 3.42Å; R14-S18 PolarHBondContact O-N 3.49Å
15S80Confident73.6Confident76 Ų76111.5 Ų111.553%0.53155%0.554SS.*Hα-helixtrans-66-46.6177.4-171.70000111.9S11 L12 L13 V17 S18 L19S11-S15 WeakPolarHBondContact O-CB 3.41Å; S11-S15 PolarHBondContact O-N 3.38Å; L12-S15 PolarHBondContact O-N 3.38Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 2.89Å; S15-V17 PolarHBondContact O-N 2.92Å; S15-S18 PolarHBondContact O-N 3.4Å; S15-L19 WeakPolarHBondContact O-CB 3.2Å; S15-L19 PolarHBondContact O-N 2.9Å
16A80.3Confident73.4Confident55 Ų55105.1 Ų105.146%0.45555%0.548SS..Hα-helixtrans-63.4-42.4177.300000112.3L12 L13 L19 T20L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.48Å; L13-A16 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 3.33Å; A16-T20 WeakPolarHBondContact O-CB 3.38Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 PolarHBondContact O-OG1 3.45Å
17V79.4Confident73.2Confident74 Ų74105.4 Ų105.445%0.44855%0.548SS..Hα-helixtrans-64.4-45.3175.6169.20000110.9L13 S15 L19 T20 L21L13-V17 HydrophobicContact CD2-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.9Å; S15-V17 PolarHBondContact O-N 2.92Å; V17-L19 PolarHBondContact O-N 2.97Å; V17-T20 PolarHBondContact O-N 2.87Å; V17-L21 HydrophobicContact CG1-CD1 3.63Å; V17-L21 WeakPolarHBondContact O-CB 3.17Å; V17-L21 PolarHBondContact O-N 3.42Å
18S77.8Confident72.7Confident43 Ų4399.8 Ų99.830%0.30153%0.529SS..Hα-helixtrans-60.1-45.1176174.30000112.3R14 S15 L21 R22R14-S18 WeakPolarHBondContact O-CB 3.42Å; R14-S18 PolarHBondContact O-N 3.49Å; S15-S18 PolarHBondContact O-N 3.4Å; S18-L21 PolarHBondContact O-N 2.74Å; S18-R22 VanDerWaalsContact O-CB 3.31Å; S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 WeakPolarHBondContact O-CG 3.31Å; S18-R22 PolarHBondContact O-N 2.99Å; S18-R22 PolarHBondContact OG-NE 3.25Å
19L74.6Confident72.2Confident107 Ų10796.3 Ų96.356%0.5652%0.52SS*.Hα-helixtrans-64.9-40.9178.2-174.764.5000111.7S15 A16 V17 R22 R23S15-L19 WeakPolarHBondContact O-CB 3.2Å; S15-L19 PolarHBondContact O-N 2.9Å; A16-L19 PolarHBondContact O-N 3.33Å; V17-L19 PolarHBondContact O-N 2.97Å; L19-R22 PolarHBondContact O-N 3.43Å; L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.47Å
20T73.6Confident71.7Confident83 Ų8395.6 Ų95.651%0.50952%0.52SS..Hα-helixtrans-67.1-44.5177.8-53.50000111.1A16 V17 R23 N24A16-T20 WeakPolarHBondContact O-CB 3.38Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 PolarHBondContact O-OG1 3.45Å; V17-T20 PolarHBondContact O-N 2.87Å; T20-R23 PolarHBondContact O-N 3.04Å; T20-N24 WeakPolarHBondContact O-CB 3.13Å; T20-N24 PolarHBondContact O-N 3.42Å; T20-N24 PolarHBondContact O-ND2 3.24Å
21L70.4Confident71.1Confident107 Ų10798 Ų9856%0.5653%0.532SS*.Hα-helixtrans-60.5-45.7173.8-86.3153.1000111.5V17 S18 R23 N24 I25V17-L21 HydrophobicContact CG1-CD1 3.63Å; V17-L21 WeakPolarHBondContact O-CB 3.17Å; V17-L21 PolarHBondContact O-N 3.42Å; S18-L21 PolarHBondContact O-N 2.74Å; L21-R23 PolarHBondContact O-N 3.47Å; L21-N24 PolarHBondContact O-N 3.13Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 2.79Å; L21-I25 VanDerWaalsContact O-N 3.13Å
22R71.4Confident70.3Confident182 Ų182100.9 Ų100.969%0.68754%0.536SS*.Hα-helixtrans-63-37.3178.8-75.5176.2-174.1-159.70.3113.3S18 L19 I25S18-R22 VanDerWaalsContact O-CB 3.31Å; S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 WeakPolarHBondContact O-CG 3.31Å; S18-R22 PolarHBondContact O-N 2.99Å; S18-R22 PolarHBondContact OG-NE 3.25Å; L19-R22 PolarHBondContact O-N 3.43Å; R22-I25 WeakPolarHBondContact O-CG1 3.39Å
23R69.3Low69.3Low212 Ų212101 Ų10180%0.854%0.537SS*.Hα-helixtrans-77.3-25.2176.2-69.8-173.993.3-171.96.5113.2L19 T20 L21L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.47Å; T20-R23 PolarHBondContact O-N 3.04Å; L21-R23 PolarHBondContact O-N 3.47Å
24N65.9Low68.2Low69 Ų69102.6 Ų102.637%0.36954%0.539SS..Hα-helixtrans-94.62.8179.4-73.1-78.3000114.2T20 L21 G26 I27 S28T20-N24 WeakPolarHBondContact O-CB 3.13Å; T20-N24 PolarHBondContact O-N 3.42Å; T20-N24 PolarHBondContact O-ND2 3.24Å; L21-N24 PolarHBondContact O-N 3.13Å; N24-G26 PolarHBondContact O-N 2.86Å; N24-G26 VanDerWaalsContact O-N 3.08Å; N24-I27 PolarHBondContact O-N 3.41Å; N24-S28 PolarHBondContact O-N 3.16Å; N24-S28 PolarHBondContact O-OG 3.07Å; N24-S28 VanDerWaalsContact O-OG 3.08Å
25I62.5Low67.2Low100 Ų10096.7 Ų96.751%0.51353%0.533SS..Hα-helixtrans-53.5-32177.6-60.4-176.2000111.9L21 R22 I27 S28 A29L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 2.79Å; L21-I25 VanDerWaalsContact O-N 3.13Å; R22-I25 WeakPolarHBondContact O-CG1 3.39Å; I25-I27 VanDerWaalsContact C-N 3.33Å; I25-I27 PolarHBondContact O-N 3.08Å; I25-S28 CarbonylContact O-C 3.5Å; I25-S28 WeakPolarHBondContact O-CB 3.39Å; I25-S28 PolarHBondContact O-N 3.34Å; I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 2.93Å
26G62.6Low66.2Low57 Ų57100.2 Ų100.259%0.58854%0.538SS*.Hα-helixtrans-62.5-34.7176.200000114N24N24-G26 PolarHBondContact O-N 2.86Å; N24-G26 VanDerWaalsContact O-N 3.08Å
27I62.5Low65.4Low114 Ų114104.5 Ų104.559%0.58555%0.553SS**Hα-helixtrans-77.8-40.2173.9-57.1177.1000109.5N24 I25 A29 V30 V31N24-I27 PolarHBondContact O-N 3.41Å; I25-I27 VanDerWaalsContact C-N 3.33Å; I25-I27 PolarHBondContact O-N 3.08Å; I27-A29 PolarHBondContact O-N 3.08Å; I27-V30 PolarHBondContact O-N 2.79Å; I27-V30 VanDerWaalsContact O-N 3.16Å; I27-V31 PolarHBondContact O-N 2.76Å
28S57.9Low64.5Low46 Ų46103.4 Ų103.432%0.32255%0.545SS..Hα-helixtrans-58.2-33.1172.9-410000111.8N24 I25 V31 F32N24-S28 PolarHBondContact O-N 3.16Å; N24-S28 PolarHBondContact O-OG 3.07Å; N24-S28 VanDerWaalsContact O-OG 3.08Å; I25-S28 CarbonylContact O-C 3.5Å; I25-S28 WeakPolarHBondContact O-CB 3.39Å; I25-S28 PolarHBondContact O-N 3.34Å; S28-V31 PolarHBondContact O-N 2.73Å; S28-F32 VanDerWaalsContact O-CB 3.29Å; S28-F32 WeakPolarHBondContact O-CB 3.37Å; S28-F32 PolarHBondContact O-N 3.32Å
29A62.2Low64.7Low38 Ų38104.8 Ų104.831%0.31455%0.549SS..Hα-helixtrans-67.6-34.1178.600000112.3I25 I27 N33I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 2.93Å; I27-A29 PolarHBondContact O-N 3.08Å; A29-N33 WeakPolarHBondContact O-CB 3.2Å; A29-N33 PolarHBondContact O-N 3.26Å; A29-N33 PolarHBondContact O-ND2 2.8Å
30V61.6Low65.3Low93 Ų93104.2 Ų104.256%0.56455%0.551SS**Hα-helixtrans-68.3-39.9174.3179.30000110.5I27 K34I27-V30 PolarHBondContact O-N 2.79Å; I27-V30 VanDerWaalsContact O-N 3.16Å; V30-K34 PolarHBondContact O-N 2.96Å
31V63.9Low65.9Low98 Ų98106 Ų10659%0.59456%0.557SS**Hα-helixtrans-70.5-42175.7-179.40000111.2I27 S28 K34 A35I27-V31 PolarHBondContact O-N 2.76Å; S28-V31 PolarHBondContact O-N 2.73Å; V31-K34 PolarHBondContact O-N 3.19Å; V31-A35 WeakPolarHBondContact O-CB 3.29Å; V31-A35 PolarHBondContact O-N 3.31Å
32F59.5Low66.7Low134 Ų134106.1 Ų106.159%0.58856%0.555SS**Hα-helixtrans-67.9-35.2176.2-116.6-86.7000112.2S28 A35 K36S28-F32 VanDerWaalsContact O-CB 3.29Å; S28-F32 WeakPolarHBondContact O-CB 3.37Å; S28-F32 PolarHBondContact O-N 3.32Å; F32-A35 CarbonylContact O-C 3.53Å; F32-A35 PolarHBondContact O-N 3.05Å; F32-K36 HydrophobicContact CD1-CD 4.35Å; F32-K36 HydrophobicContact CD1-CG 4.26Å; F32-K36 VanDerWaalsContact O-CB 3.24Å; F32-K36 WeakPolarHBondContact O-CB 3.24Å; F32-K36 PolarHBondContact O-N 3.46Å
33N59.3Low67.4Low118 Ų118102.9 Ų102.963%0.63155%0.545SS*.Hα-helixtrans-68.8-35.9172.6-86.1-67000111.8A29 A35A29-N33 WeakPolarHBondContact O-CB 3.2Å; A29-N33 PolarHBondContact O-N 3.26Å; A29-N33 PolarHBondContact O-ND2 2.8Å; N33-A35 VanDerWaalsContact C-N 3.25Å; N33-A35 PolarHBondContact O-N 2.79Å
34K59.3Low68.5Low151 Ų15198 Ų9866%0.65754%0.535SS*.Hα-helixtrans-65.1-30168.5-84.5-169.4174.6-159.80112.9V30 V31V30-K34 PolarHBondContact O-N 2.96Å; V31-K34 PolarHBondContact O-N 3.19Å
35A57.4Low69.8Low74 Ų74101.3 Ų101.361%0.61255%0.546SS*.Hα-helixtrans-87.7-24.6-178.500000114.1V31 F32 N33 D37V31-A35 WeakPolarHBondContact O-CB 3.29Å; V31-A35 PolarHBondContact O-N 3.31Å; F32-A35 CarbonylContact O-C 3.53Å; F32-A35 PolarHBondContact O-N 3.05Å; N33-A35 VanDerWaalsContact C-N 3.25Å; N33-A35 PolarHBondContact O-N 2.79Å; A35-D37 VanDerWaalsContact C-N 3.26Å; A35-D37 PolarHBondContact O-N 3.18Å
36K57.7Low71.2Confident150 Ų15099.4 Ų99.465%0.65254%0.536SS*.THydrogen-bonded Turntrans-87.646.3-178-95.4-171.1163.2-172.20113.1F32F32-K36 HydrophobicContact CD1-CD 4.35Å; F32-K36 HydrophobicContact CD1-CG 4.26Å; F32-K36 VanDerWaalsContact O-CB 3.24Å; F32-K36 WeakPolarHBondContact O-CB 3.24Å; F32-K36 PolarHBondContact O-N 3.46Å
37D63.5Low72.7Confident144 Ų14499.1 Ų99.177%0.7752%0.522SS*.THydrogen-bonded Turntrans72.786.9180-44.4-50.5000111.7A35 D39A35-D37 VanDerWaalsContact C-N 3.26Å; A35-D37 PolarHBondContact O-N 3.18Å; D37-D39 PolarHBondContact O-N 3.13Å; D37-D39 VanDerWaalsContact O-N 3.13Å
38L62Low74.2Confident51 Ų51100.3 Ų100.327%0.26752%0.522SS..  trans-42.6125.9150.5-83.1160.8000107.2P40 Q42 K43 L46L38-P40 VanDerWaalsContact O-N 3.13Å; L38-Q42 HydrophobicContact CD2-CB 4.36Å; L38-K43 HydrophobicContact CB-CB 4.04Å; L38-L46 HydrophobicContact CD1-CD1 4.07Å; L38-L46 HydrophobicContact CD2-CD1 4.33Å
39D82.6Confident75.9Confident73 Ų73102.1 Ų102.139%0.3953%0.528SS..  trans-39.6125.4171.7167.86.9000107.6D37 I41 Q42 K43D37-D39 PolarHBondContact O-N 3.13Å; D37-D39 VanDerWaalsContact O-N 3.13Å; D39-I41 CarbonylContact O-C 3.53Å; D39-I41 PolarHBondContact O-N 3.22Å; D39-I41 PolarHBondContact OD1-N 3.2Å; D39-Q42 HydrophobicContact CB-CB 4.25Å; D39-Q42 HydrophobicContact CB-CG 3.98Å; D39-Q42 WeakPolarHBondContact O-CA 3.37Å; D39-Q42 WeakPolarHBondContact O-CB 3.32Å; D39-Q42 PolarHBondContact O-N 3.03Å; D39-K43 PolarHBondContact O-N 3.46Å
40P86.3Confident77.4Confident94 Ų94107.5 Ų107.561%0.6154%0.54SS*.Hα-helixtrans-44.4-34.5-176.6-32.235.1000113.4L38 L44L38-P40 VanDerWaalsContact O-N 3.13Å; P40-L44 WeakPolarHBondContact O-CB 3.4Å; P40-L44 VanDerWaalsContact O-CG 3.23Å; P40-L44 WeakPolarHBondContact O-CG 3.42Å; P40-L44 PolarHBondContact O-N 2.93Å
41I86.9Confident79Confident122 Ų122107 Ų10763%0.62653%0.534SS*.Hα-helixtrans-68.3-46.9176.1-63.3168.8000111.9D39 K43 L44 F45D39-I41 CarbonylContact O-C 3.53Å; D39-I41 PolarHBondContact O-N 3.22Å; D39-I41 PolarHBondContact OD1-N 3.2Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 3.44Å; I41-L44 PolarHBondContact O-N 3.04Å; I41-F45 PolarHBondContact O-N 3.39Å
42Q85.6Confident80.4Confident109 Ų109109.2 Ų109.251%0.50953%0.533SS..Hα-helixtrans-64.2-37.6177.4-65.6-177.912.800111.8L38 D39 F45 L46L38-Q42 HydrophobicContact CD2-CB 4.36Å; D39-Q42 HydrophobicContact CB-CB 4.25Å; D39-Q42 HydrophobicContact CB-CG 3.98Å; D39-Q42 WeakPolarHBondContact O-CA 3.37Å; D39-Q42 WeakPolarHBondContact O-CB 3.32Å; D39-Q42 PolarHBondContact O-N 3.03Å; Q42-F45 PolarHBondContact O-N 3.33Å; Q42-L46 WeakPolarHBondContact O-CG 3.46Å; Q42-L46 PolarHBondContact O-N 2.76Å
43K87.8Confident81.9Confident113 Ų113105.4 Ų105.449%0.49152%0.523SS..Hα-helixtrans-61.7-50173.8-177.5175.9176.7-177.80111L38 D39 I41 F45 L46 D47L38-K43 HydrophobicContact CB-CB 4.04Å; D39-K43 PolarHBondContact O-N 3.46Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 3.44Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.78Å; K43-L46 PolarHBondContact O-N 3.26Å; K43-D47 WeakPolarHBondContact CG-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.25Å; K43-D47 VanDerWaalsContact O-CG 3.23Å; K43-D47 PolarHBondContact O-N 3.44Å
44L91.3Very high83.4Confident110 Ų110103.5 Ų103.558%0.57652%0.519SS*.Hα-helixtrans-56.5-42.3176.6-75.9167.9000111.9P40 I41 D47 K48P40-L44 WeakPolarHBondContact O-CB 3.4Å; P40-L44 VanDerWaalsContact O-CG 3.23Å; P40-L44 WeakPolarHBondContact O-CG 3.42Å; P40-L44 PolarHBondContact O-N 2.93Å; I41-L44 PolarHBondContact O-N 3.04Å; L44-D47 PolarHBondContact O-N 2.89Å; L44-K48 WeakPolarHBondContact O-CG 3.39Å; L44-K48 PolarHBondContact O-N 3.49Å
45F92.5Very high85Confident139 Ų139100.7 Ų100.761%0.6151%0.507SS*.Hα-helixtrans-61.4-48.5177.6-175.8-105.1000112.2I41 Q42 K43 D47 K48 I49I41-F45 PolarHBondContact O-N 3.39Å; Q42-F45 PolarHBondContact O-N 3.33Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.78Å; F45-D47 VanDerWaalsContact C-N 3.33Å; F45-D47 PolarHBondContact O-N 2.89Å; F45-K48 PolarHBondContact O-N 3.35Å; F45-I49 HydrophobicContact CD1-CD1 3.72Å; F45-I49 HydrophobicContact CE1-CD1 3.27Å; F45-I49 HydrophobicContact CE1-CG1 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.44Å; F45-I49 HydrophobicContact CG-CD1 4.49Å; F45-I49 HydrophobicContact CZ-CD1 3.68Å; F45-I49 HydrophobicContact CZ-CG1 4.47Å; F45-I49 WeakPolarHBondContact O-CG1 3.42Å; F45-I49 PolarHBondContact O-N 3Å
46L92.2Very high86.5Confident59 Ų5999.3 Ų99.331%0.30949%0.492SS..Hα-helixtrans-64.4-38.6178.1-70.2177.4000112.3L38 Q42 K43 I49 R50L38-L46 HydrophobicContact CD1-CD1 4.07Å; L38-L46 HydrophobicContact CD2-CD1 4.33Å; Q42-L46 WeakPolarHBondContact O-CG 3.46Å; Q42-L46 PolarHBondContact O-N 2.76Å; K43-L46 PolarHBondContact O-N 3.26Å; L46-I49 PolarHBondContact O-N 2.99Å; L46-R50 VanDerWaalsContact O-CG 3.32Å; L46-R50 WeakPolarHBondContact O-CG 3.48Å; L46-R50 PolarHBondContact O-N 2.99Å
47D93.9Very high88Confident52 Ų5299.7 Ų99.728%0.27850%0.497SS..Hα-helixtrans-65.7-41.7178.1-68.7-13.5000110.3K43 L44 F45 I49 R50 D51K43-D47 WeakPolarHBondContact CG-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.25Å; K43-D47 VanDerWaalsContact O-CG 3.23Å; K43-D47 PolarHBondContact O-N 3.44Å; L44-D47 PolarHBondContact O-N 2.89Å; F45-D47 VanDerWaalsContact C-N 3.33Å; F45-D47 PolarHBondContact O-N 2.89Å; D47-I49 PolarHBondContact O-N 3.22Å; D47-R50 PolarHBondContact O-N 3.42Å; D47-R50 IonicContact OD1-NH1 3.22Å; D47-R50 PolarHBondContact OD1-NH1 3.33Å; D47-D51 WeakPolarHBondContact O-CB 3.26Å; D47-D51 PolarHBondContact O-N 3.32Å
48K94.3Very high89.1Confident138 Ų13897.1 Ų97.160%0.650%0.496SS*.Hα-helixtrans-63.8-36.5173.6-68.1-55.6178.8-166.80113.9L44 F45 Y52L44-K48 WeakPolarHBondContact O-CG 3.39Å; L44-K48 PolarHBondContact O-N 3.49Å; F45-K48 PolarHBondContact O-N 3.35Å; K48-Y52 WeakPolarHBondContact O-CB 3.49Å; K48-Y52 PolarHBondContact O-N 2.94Å
49I94.6Very high90Very high85 Ų8597.1 Ų97.144%0.43650%0.5SS..Hα-helixtrans-63.5-45.9173.6-71.9171.8000110.7F45 L46 D47 Y52 S53F45-I49 HydrophobicContact CD1-CD1 3.72Å; F45-I49 HydrophobicContact CE1-CD1 3.27Å; F45-I49 HydrophobicContact CE1-CG1 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.44Å; F45-I49 HydrophobicContact CG-CD1 4.49Å; F45-I49 HydrophobicContact CZ-CD1 3.68Å; F45-I49 HydrophobicContact CZ-CG1 4.47Å; F45-I49 WeakPolarHBondContact O-CG1 3.42Å; F45-I49 PolarHBondContact O-N 3Å; L46-I49 PolarHBondContact O-N 2.99Å; D47-I49 PolarHBondContact O-N 3.22Å; I49-Y52 PolarHBondContact O-N 2.85Å; I49-S53 VanDerWaalsContact O-CB 3.26Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.27Å
50R94.1Very high89.7Confident150 Ų15097.4 Ų97.457%0.56652%0.52SS*.Hα-helixtrans-65-44.9179.9-71.8171.1-179.4141.3-2.5111.6L46 D47 S53 S54L46-R50 VanDerWaalsContact O-CG 3.32Å; L46-R50 WeakPolarHBondContact O-CG 3.48Å; L46-R50 PolarHBondContact O-N 2.99Å; D47-R50 PolarHBondContact O-N 3.42Å; D47-R50 IonicContact OD1-NH1 3.22Å; D47-R50 PolarHBondContact OD1-NH1 3.33Å; R50-S53 PolarHBondContact O-N 3.37Å; R50-S54 WeakPolarHBondContact O-CB 3.35Å; R50-S54 PolarHBondContact O-N 3.28Å
51D93.9Very high89.3Confident84 Ų8495.3 Ų95.345%0.44952%0.516SS..Hα-helixtrans-57.4-51.2176.7-73.3-9000110.6D47 S54 K55D47-D51 WeakPolarHBondContact O-CB 3.26Å; D47-D51 PolarHBondContact O-N 3.32Å; D51-S54 PolarHBondContact O-N 3.06Å; D51-K55 WeakPolarHBondContact O-CG 3.31Å; D51-K55 PolarHBondContact O-N 3.44Å
52Y93.4Very high89.2Confident143 Ų14393.5 Ų93.556%0.56151%0.51SS*.Hα-helixtrans-63.5-42.9178.6179.3-94.5000112.2K48 I49 S54 K55 S56 V63K48-Y52 WeakPolarHBondContact O-CB 3.49Å; K48-Y52 PolarHBondContact O-N 2.94Å; I49-Y52 PolarHBondContact O-N 2.85Å; Y52-S54 VanDerWaalsContact C-N 3.35Å; Y52-S54 PolarHBondContact O-N 3.4Å; Y52-K55 PolarHBondContact O-N 2.87Å; Y52-S56 VanDerWaalsContact O-CB 3.25Å; Y52-S56 WeakPolarHBondContact O-CB 3.23Å; Y52-S56 PolarHBondContact O-N 3Å; Y52-V63 HydrophobicContact CD2-CG1 4.45Å; Y52-V63 HydrophobicContact CD2-CG2 4.27Å; Y52-V63 HydrophobicContact CE2-CB 4.05Å; Y52-V63 HydrophobicContact CE2-CG1 4.37Å; Y52-V63 HydrophobicContact CE2-CG2 3.64Å
53S91.4Very high89.1Confident55 Ų5589.7 Ų89.739%0.38549%0.494SS..Hα-helixtrans-58.2-47.1178.3-177.40000111.6I49 R50 S56 Q57I49-S53 VanDerWaalsContact O-CB 3.26Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.27Å; R50-S53 PolarHBondContact O-N 3.37Å; S53-S56 PolarHBondContact O-N 2.86Å; S53-Q57 WeakPolarHBondContact O-CG 3.47Å; S53-Q57 PolarHBondContact O-N 3.49Å
54S91.6Very high88.8Confident78 Ų7889.7 Ų89.755%0.54550%0.499SS..Hα-helixtrans-59.5-48.6176-178.40000111.6R50 D51 Y52 S56 Q57 A58R50-S54 WeakPolarHBondContact O-CB 3.35Å; R50-S54 PolarHBondContact O-N 3.28Å; D51-S54 PolarHBondContact O-N 3.06Å; Y52-S54 VanDerWaalsContact C-N 3.35Å; Y52-S54 PolarHBondContact O-N 3.4Å; S54-S56 PolarHBondContact O-N 3.02Å; S54-Q57 PolarHBondContact O-N 3.43Å; S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 2.97Å
55K91.6Very high88.3Confident91 Ų9187 Ų8740%0.39649%0.493SS..Hα-helixtrans-62.6-43.1177.6-71.7-178.5169.6-158.20112.6D51 Y52 A58 S59 V63 D64D51-K55 WeakPolarHBondContact O-CG 3.31Å; D51-K55 PolarHBondContact O-N 3.44Å; Y52-K55 PolarHBondContact O-N 2.87Å; K55-A58 PolarHBondContact O-N 2.96Å; K55-S59 VanDerWaalsContact O-CB 3.31Å; K55-S59 WeakPolarHBondContact O-CB 3.32Å; K55-S59 PolarHBondContact O-N 3.3Å; K55-S59 PolarHBondContact O-OG 3.48Å; K55-V63 HydrophobicContact CB-CG1 3.66Å; K55-V63 HydrophobicContact CB-CG2 4.47Å; K55-V63 HydrophobicContact CD-CG1 3.93Å; K55-V63 HydrophobicContact CG-CG1 4.45Å; K55-D64 IonicContact NZ-OD1 3.8Å; K55-D64 PolarHBondContact NZ-OD1 3.15Å; K55-D64 IonicContact NZ-OD2 3.46Å; K55-D64 PolarHBondContact NZ-OD2 2.61Å
56S89.9Confident87.8Confident45 Ų4582 Ų8232%0.31548%0.48SS..Hα-helixtrans-61.9-44.6179.6176.30000111.8Y52 S53 S54 A58 S59 G60 V63Y52-S56 VanDerWaalsContact O-CB 3.25Å; Y52-S56 WeakPolarHBondContact O-CB 3.23Å; Y52-S56 PolarHBondContact O-N 3Å; S53-S56 PolarHBondContact O-N 2.86Å; S54-S56 PolarHBondContact O-N 3.02Å; S56-A58 PolarHBondContact O-N 3.32Å; S56-S59 PolarHBondContact O-N 3.18Å; S56-G60 PolarHBondContact O-N 3.22Å; S56-V63 VanDerWaalsContact CA-CG2 3.48Å
57Q88.3Confident87.5Confident158 Ų15884.9 Ų84.974%0.73850%0.503SS*.Hα-helixtrans-63.6-40.9175.6-71.9-179.9-10.300112.2S53 S54S53-Q57 WeakPolarHBondContact O-CG 3.47Å; S53-Q57 PolarHBondContact O-N 3.49Å; S54-Q57 PolarHBondContact O-N 3.43Å
58A86Confident87.2Confident91 Ų9189.8 Ų89.875%0.75252%0.524SS*.Hα-helixtrans-70.3-33.9178.100000113.2S54 K55 S56S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 2.97Å; K55-A58 PolarHBondContact O-N 2.96Å; S56-A58 PolarHBondContact O-N 3.32Å
59S82.6Confident87Confident51 Ų5187 Ų8736%0.35751%0.512SS..Hα-helixtrans-77.1-25.7-175.3-52.40000112.7K55 S56 G61K55-S59 VanDerWaalsContact O-CB 3.31Å; K55-S59 WeakPolarHBondContact O-CB 3.32Å; K55-S59 PolarHBondContact O-N 3.3Å; K55-S59 PolarHBondContact O-OG 3.48Å; S56-S59 PolarHBondContact O-N 3.18Å; S59-G61 PolarHBondContact O-N 2.98Å
60G76.4Confident86.7Confident79 Ų7988.5 Ų88.581%0.81452%0.517SS*.SBendtrans58.614.7-176.900000114.3S56S56-G60 PolarHBondContact O-N 3.22Å
61G77.9Confident86.6Confident50 Ų5087.4 Ų87.452%0.51552%0.517SS..SBendtrans179.6-149.8-165.300000110.7S59 V63S59-G61 PolarHBondContact O-N 2.98Å; G61-V63 PolarHBondContact O-N 3.32Å
62V82.9Confident86.6Confident84 Ų8487.6 Ų87.651%0.50952%0.518SS..SBendtrans-62.5122.5179.8178.80000109.8A65 F69V62-A65 HydrophobicContact CB-CB 3.9Å; V62-A65 HydrophobicContact CG1-CB 4.05Å; V62-A65 VanDerWaalsContact O-CB 3.27Å; V62-A65 WeakPolarHBondContact O-CB 3.27Å; V62-A65 PolarHBondContact O-N 3.46Å; V62-F69 HydrophobicContact CB-CE1 4.27Å; V62-F69 HydrophobicContact CB-CZ 4.34Å; V62-F69 HydrophobicContact CG1-CE1 4.28Å; V62-F69 HydrophobicContact CG1-CE2 4.25Å; V62-F69 HydrophobicContact CG1-CZ 4.02Å; V62-F69 HydrophobicContact CG2-CE1 4.09Å; V62-F69 HydrophobicContact CG2-CZ 3.97Å
63V85.3Confident86.5Confident28 Ų2884.9 Ų84.917%0.1751%0.511CS..THydrogen-bonded Turntrans-63.1135.1-179.3173.10000110.4Y52 K55 S56 G61 A65Y52-V63 HydrophobicContact CD2-CG1 4.45Å; Y52-V63 HydrophobicContact CD2-CG2 4.27Å; Y52-V63 HydrophobicContact CE2-CB 4.05Å; Y52-V63 HydrophobicContact CE2-CG1 4.37Å; Y52-V63 HydrophobicContact CE2-CG2 3.64Å; K55-V63 HydrophobicContact CB-CG1 3.66Å; K55-V63 HydrophobicContact CB-CG2 4.47Å; K55-V63 HydrophobicContact CD-CG1 3.93Å; K55-V63 HydrophobicContact CG-CG1 4.45Å; S56-V63 VanDerWaalsContact CA-CG2 3.48Å; G61-V63 PolarHBondContact O-N 3.32Å; V63-A65 PolarHBondContact O-N 3.18Å
64D80.6Confident86.5Confident113 Ų11385.1 Ų85.160%0.60451%0.513SS*.THydrogen-bonded Turntrans56.927179.5-58-34.3000113.1K55 G66K55-D64 IonicContact NZ-OD1 3.8Å; K55-D64 PolarHBondContact NZ-OD1 3.15Å; K55-D64 IonicContact NZ-OD2 3.46Å; K55-D64 PolarHBondContact NZ-OD2 2.61Å; D64-G66 PolarHBondContact O-N 2.74Å
65A80.3Confident86.7Confident53 Ų5386.3 Ų86.344%0.43851%0.51SS..  trans-68.9103.3175.400000111.1V62 V63 F69V62-A65 HydrophobicContact CB-CB 3.9Å; V62-A65 HydrophobicContact CG1-CB 4.05Å; V62-A65 VanDerWaalsContact O-CB 3.27Å; V62-A65 WeakPolarHBondContact O-CB 3.27Å; V62-A65 PolarHBondContact O-N 3.46Å; V63-A65 PolarHBondContact O-N 3.18Å; A65-F69 HydrophobicContact CB-CB 4.44Å; A65-F69 HydrophobicContact CB-CD1 3.92Å; A65-F69 HydrophobicContact CB-CG 4.29Å
66G82.8Confident86.8Confident34 Ų3487 Ų8735%0.35152%0.515SS..  trans-89.2-179.5173.900000113.8D64 E68 F69 Q70D64-G66 PolarHBondContact O-N 2.74Å; G66-E68 PolarHBondContact O-N 3.08Å; G66-F69 WeakPolarHBondContact O-CB 3.34Å; G66-F69 PolarHBondContact O-N 3.04Å; G66-F69 VanDerWaalsContact O-N 3.08Å; G66-Q70 PolarHBondContact O-N 3.03Å
67P85.3Confident86.9Confident120 Ų12087.9 Ų87.978%0.77952%0.518SS*.Hα-helixtrans-56.8-32.7176.1-24.734.2000113.6Q70 K71P67-Q70 PolarHBondContact O-N 3.49Å; P67-K71 PolarHBondContact O-N 2.87Å
68E88.9Confident87.1Confident155 Ų15581.9 Ų81.972%0.72450%0.495SS*.Hα-helixtrans-64.6-39.4176.8-64.7-171.2170.300112.5G66 Q70 K71 N72G66-E68 PolarHBondContact O-N 3.08Å; E68-Q70 PolarHBondContact O-N 3.4Å; E68-K71 PolarHBondContact O-N 3.16Å; E68-N72 WeakPolarHBondContact O-CB 3.21Å; E68-N72 VanDerWaalsContact O-CG 3.28Å; E68-N72 PolarHBondContact O-N 3.45Å; E68-N72 PolarHBondContact O-OD1 3.03Å
69F89.6Confident87.5Confident81 Ų8182.9 Ų82.936%0.35548%0.482SS..Hα-helixtrans-62.6-45.2176.8177.8-95.4000110.9V62 A65 G66 K71 N72 M73V62-F69 HydrophobicContact CB-CE1 4.27Å; V62-F69 HydrophobicContact CB-CZ 4.34Å; V62-F69 HydrophobicContact CG1-CE1 4.28Å; V62-F69 HydrophobicContact CG1-CE2 4.25Å; V62-F69 HydrophobicContact CG1-CZ 4.02Å; V62-F69 HydrophobicContact CG2-CE1 4.09Å; V62-F69 HydrophobicContact CG2-CZ 3.97Å; A65-F69 HydrophobicContact CB-CB 4.44Å; A65-F69 HydrophobicContact CB-CD1 3.92Å; A65-F69 HydrophobicContact CB-CG 4.29Å; G66-F69 WeakPolarHBondContact O-CB 3.34Å; G66-F69 PolarHBondContact O-N 3.04Å; G66-F69 VanDerWaalsContact O-N 3.08Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.02Å; F69-N72 PolarHBondContact O-N 3.13Å; F69-M73 HydrophobicContact CE1-CE 3.8Å; F69-M73 HydrophobicContact CE2-CE 4.3Å; F69-M73 HydrophobicContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact O-CB 3.29Å; F69-M73 WeakPolarHBondContact O-CB 3.46Å; F69-M73 PolarHBondContact O-N 2.77Å
70Q87.4Confident87.9Confident116 Ų11684.9 Ų84.954%0.54249%0.489SS..Hα-helixtrans-64.6-38.2178.8-172.660.136.900112.2G66 P67 E68 S74G66-Q70 PolarHBondContact O-N 3.03Å; P67-Q70 PolarHBondContact O-N 3.49Å; E68-Q70 PolarHBondContact O-N 3.4Å; Q70-S74 WeakPolarHBondContact O-CB 3.37Å; Q70-S74 PolarHBondContact O-N 3.41Å; Q70-S74 PolarHBondContact O-OG 3.49Å
71K92.9Very high88.6Confident126 Ų12686.3 Ų86.355%0.54847%0.474SS..Hα-helixtrans-62.2-53.3174.4179.9-179169.6-174.20110.9P67 E68 F69 M73 S74 E75P67-K71 PolarHBondContact O-N 2.87Å; E68-K71 PolarHBondContact O-N 3.16Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.02Å; K71-M73 VanDerWaalsContact C-N 3.3Å; K71-M73 PolarHBondContact O-N 3.37Å; K71-S74 PolarHBondContact O-N 3.21Å; K71-S74 VanDerWaalsContact O-N 3.09Å; K71-E75 WeakPolarHBondContact CE-OE1 3.45Å; K71-E75 IonicContact NZ-OE1 3.95Å; K71-E75 WeakPolarHBondContact O-CG 3.19Å; K71-E75 PolarHBondContact O-N 3.34Å
72N93.1Very high89.2Confident89 Ų8994 Ų9448%0.47649%0.487SS..Hα-helixtrans-60.4-41.2179.6-68.4-2.4000111.6E68 F69 S74 E75 E76E68-N72 WeakPolarHBondContact O-CB 3.21Å; E68-N72 VanDerWaalsContact O-CG 3.28Å; E68-N72 PolarHBondContact O-N 3.45Å; E68-N72 PolarHBondContact O-OD1 3.03Å; F69-N72 PolarHBondContact O-N 3.13Å; N72-S74 VanDerWaalsContact C-N 3.32Å; N72-S74 PolarHBondContact O-N 3.08Å; N72-E75 PolarHBondContact O-N 2.94Å; N72-E76 WeakPolarHBondContact O-CG 3.5Å; N72-E76 PolarHBondContact O-N 3.46Å
73M92.4Very high89.7Confident85 Ų8595.5 Ų95.542%0.41949%0.492SS..Hα-helixtrans-57.4-46.4174.6-177.765.569.300111.3F69 K71 E76 V77F69-M73 HydrophobicContact CE1-CE 3.8Å; F69-M73 HydrophobicContact CE2-CE 4.3Å; F69-M73 HydrophobicContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact O-CB 3.29Å; F69-M73 WeakPolarHBondContact O-CB 3.46Å; F69-M73 PolarHBondContact O-N 2.77Å; K71-M73 VanDerWaalsContact C-N 3.3Å; K71-M73 PolarHBondContact O-N 3.37Å; M73-E76 PolarHBondContact O-N 3.42Å; M73-V77 WeakPolarHBondContact O-CB 3.37Å; M73-V77 WeakPolarHBondContact O-CG2 3.39Å; M73-V77 PolarHBondContact O-N 3.24Å; M73-V77 HydrophobicContact SD-CG2 4.45Å
74S91.7Very high89.7Confident60 Ų60103.2 Ų103.242%0.4252%0.52SS..Hα-helixtrans-67.2-38.4-179.3-54.70000112Q70 K71 N72 A78Q70-S74 WeakPolarHBondContact O-CB 3.37Å; Q70-S74 PolarHBondContact O-N 3.41Å; Q70-S74 PolarHBondContact O-OG 3.49Å; K71-S74 PolarHBondContact O-N 3.21Å; K71-S74 VanDerWaalsContact O-N 3.09Å; N72-S74 VanDerWaalsContact C-N 3.32Å; N72-S74 PolarHBondContact O-N 3.08Å; S74-A78 WeakPolarHBondContact O-CB 3.29Å; S74-A78 PolarHBondContact O-N 2.95Å
75E95.5Very high89.9Confident104 Ų104100 Ų10049%0.48651%0.513SS..Hα-helixtrans-64.9-45.4176.3-72.3177.8-175.200112.1K71 N72 A78 K79K71-E75 WeakPolarHBondContact CE-OE1 3.45Å; K71-E75 IonicContact NZ-OE1 3.95Å; K71-E75 WeakPolarHBondContact O-CG 3.19Å; K71-E75 PolarHBondContact O-N 3.34Å; N72-E75 PolarHBondContact O-N 2.94Å; E75-A78 PolarHBondContact O-N 2.95Å; E75-K79 PolarHBondContact O-N 3.09Å
76E94.1Very high89.8Confident106 Ų106100.7 Ų100.750%0.49553%0.526SS..Hα-helixtrans-66-41.1176.9-71-62.416300111.7N72 M73 A78 K79 L80N72-E76 WeakPolarHBondContact O-CG 3.5Å; N72-E76 PolarHBondContact O-N 3.46Å; M73-E76 PolarHBondContact O-N 3.42Å; E76-A78 PolarHBondContact O-N 3.31Å; E76-K79 WeakPolarHBondContact O-CB 3.41Å; E76-K79 PolarHBondContact O-N 2.96Å; E76-L80 WeakPolarHBondContact O-CG 3.43Å; E76-L80 PolarHBondContact O-N 3.36Å
77V91.8Very high89.7Confident62 Ų62101.7 Ų101.738%0.37654%0.536SS..Hα-helixtrans-61.4-44174.3169.90000111.1M73 K79 L80 Q81M73-V77 WeakPolarHBondContact O-CB 3.37Å; M73-V77 WeakPolarHBondContact O-CG2 3.39Å; M73-V77 PolarHBondContact O-N 3.24Å; M73-V77 HydrophobicContact SD-CG2 4.45Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.47Å; V77-L80 PolarHBondContact O-N 3.44Å; V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.33Å
78A92.2Very high89.6Confident32 Ų3299.8 Ų99.826%0.26452%0.519SS..Hα-helixtrans-63.5-37.5177.200000112.2S74 E75 E76 Q81 R82S74-A78 WeakPolarHBondContact O-CB 3.29Å; S74-A78 PolarHBondContact O-N 2.95Å; E75-A78 PolarHBondContact O-N 2.95Å; E76-A78 PolarHBondContact O-N 3.31Å; A78-Q81 PolarHBondContact O-N 3.32Å; A78-R82 WeakPolarHBondContact O-CG 3.21Å; A78-R82 PolarHBondContact O-N 2.91Å; A78-R82 VanDerWaalsContact O-N 3.07Å
79K94.5Very high89.3Confident112 Ų112100.1 Ų100.149%0.48753%0.525SS..Hα-helixtrans-62.7-45173.9-177.2-177.2176.8-174.40111.5E75 E76 V77 Q81 R82 L83E75-K79 PolarHBondContact O-N 3.09Å; E76-K79 WeakPolarHBondContact O-CB 3.41Å; E76-K79 PolarHBondContact O-N 2.96Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.47Å; K79-Q81 PolarHBondContact O-N 3.02Å; K79-R82 PolarHBondContact O-N 3.42Å; K79-L83 HydrophobicContact CG-CD1 4.31Å; K79-L83 WeakPolarHBondContact O-CG 3.42Å; K79-L83 PolarHBondContact O-N 3.18Å; K79-L83 VanDerWaalsContact O-N 3.13Å
80L91.4Very high89.2Confident93 Ų93103.6 Ų103.649%0.48755%0.547SS..Hα-helixtrans-61.4-43.9176.7-69.9172.5000111.7E76 V77 R82 L83 Y84E76-L80 WeakPolarHBondContact O-CG 3.43Å; E76-L80 PolarHBondContact O-N 3.36Å; V77-L80 PolarHBondContact O-N 3.44Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 2.94Å; L80-L83 PolarHBondContact O-N 3.13Å; L80-Y84 HydrophobicContact CD2-CD2 4.08Å; L80-Y84 HydrophobicContact CD2-CE2 3.9Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.49Å
81Q90.3Very high89.1Confident109 Ų109105.4 Ų105.451%0.50955%0.553SS.*Hα-helixtrans-62-35.3176.9-72.4175.3-14.700112.7V77 A78 K79 G85 G86V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.33Å; A78-Q81 PolarHBondContact O-N 3.32Å; K79-Q81 PolarHBondContact O-N 3.02Å; Q81-G85 CarbonylContact O-C 3.16Å; Q81-G85 VanDerWaalsContact O-CA 3.24Å; Q81-G85 WeakPolarHBondContact O-CA 3.45Å; Q81-G85 PolarHBondContact O-N 3.45Å; Q81-G86 PolarHBondContact O-N 2.96Å
82R90.6Very high88.9Confident211 Ų211107.6 Ų107.680%0.79656%0.563SS**Hα-helixtrans-67.6-37.9174.8-74.4175.6-179.2141.20.3112.8A78 K79 L80A78-R82 WeakPolarHBondContact O-CG 3.21Å; A78-R82 PolarHBondContact O-N 2.91Å; A78-R82 VanDerWaalsContact O-N 3.07Å; K79-R82 PolarHBondContact O-N 3.42Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 2.94Å
83L92.4Very high88.6Confident116 Ų116107.1 Ų107.161%0.60757%0.565SS**Hα-helixtrans-81.2-37.8-176.1-68.5176000112.9K79 L80K79-L83 HydrophobicContact CG-CD1 4.31Å; K79-L83 WeakPolarHBondContact O-CG 3.42Å; K79-L83 PolarHBondContact O-N 3.18Å; K79-L83 VanDerWaalsContact O-N 3.13Å; L80-L83 PolarHBondContact O-N 3.13Å
84Y87.1Confident88.3Confident191 Ų191110.7 Ų110.775%0.74959%0.585SS**Hα-helixtrans-114.1-0.4-169.2-60.9-71.4000113.8L80L80-Y84 HydrophobicContact CD2-CD2 4.08Å; L80-Y84 HydrophobicContact CD2-CE2 3.9Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.49Å
85G83.1Confident88.1Confident45 Ų45114.1 Ų114.146%0.46459%0.593SS.*  trans93.9135.8-177.800000112.3Q81 G87Q81-G85 CarbonylContact O-C 3.16Å; Q81-G85 VanDerWaalsContact O-CA 3.24Å; Q81-G85 WeakPolarHBondContact O-CA 3.45Å; Q81-G85 PolarHBondContact O-N 3.45Å; G85-G87 PolarHBondContact O-N 3.36Å
86G79.2Confident87.6Confident68 Ų68118.7 Ų118.770%0.70161%0.612SS**  trans-93.290.9173.800000110Q81Q81-G86 PolarHBondContact O-N 2.96Å
87G81.1Confident87.2Confident55 Ų55122.4 Ų122.457%0.56763%0.626SS**SBendtrans-131.9177.8174.500000111.1G85 L89G85-G87 PolarHBondContact O-N 3.36Å; G87-L89 PolarHBondContact O-N 2.95Å; G87-L89 VanDerWaalsContact O-N 3.13Å
88D83Confident86.8Confident80 Ų80125 Ų12543%0.42865%0.647SS.*  trans-71.2105.3170.9-175.2-1.8000109.3N90 K91D88-N90 PolarHBondContact O-N 3.23Å; D88-N90 VanDerWaalsContact O-N 3.16Å; D88-N90 WeakPolarHBondContact OD1-CB 3.49Å; D88-N90 PolarHBondContact OD1-N 3.25Å; D88-N90 PolarHBondContact OD1-ND2 3.07Å; D88-N90 VanDerWaalsContact OD1-ND2 3.15Å; D88-K91 HydrophobicContact CB-CB 4.31Å; D88-K91 HydrophobicContact CB-CD 4.44Å; D88-K91 HydrophobicContact CB-CG 4.45Å; D88-K91 PolarHBondContact O-N 2.95Å; D88-K91 VanDerWaalsContact O-N 3.08Å; D88-K91 VanDerWaalsContact O-O 3.13Å; D88-K91 WeakPolarHBondContact OD2-CD 3.24Å; D88-K91 WeakPolarHBondContact OD2-CE 3.44Å; D88-K91 WeakPolarHBondContact OD2-CG 3.45Å; D88-K91 IonicContact OD2-NZ 2.74Å
89L81.9Confident86.4Confident162 Ų162132.3 Ų132.385%0.84868%0.676SS**THydrogen-bonded Turntrans-66.5-12.9-179.4-58.1-179.7000113.1G87 K91G87-L89 PolarHBondContact O-N 2.95Å; G87-L89 VanDerWaalsContact O-N 3.13Å; L89-K91 VanDerWaalsContact C-N 3.35Å
90N86.7Confident85.8Confident154 Ų154132.1 Ų132.182%0.82468%0.684SS**THydrogen-bonded Turntrans-87.1-8.4176.1-54.5-68.3000112.6D88D88-N90 PolarHBondContact O-N 3.23Å; D88-N90 VanDerWaalsContact O-N 3.16Å; D88-N90 WeakPolarHBondContact OD1-CB 3.49Å; D88-N90 PolarHBondContact OD1-N 3.25Å; D88-N90 PolarHBondContact OD1-ND2 3.07Å; D88-N90 VanDerWaalsContact OD1-ND2 3.15Å
91K87.1Confident85.1Confident153 Ų153136.9 Ų136.967%0.66570%0.7SS**SBendtrans-117.5134.7-178.2-67.8-178.1-172.6174.70110.4D88 L89D88-K91 HydrophobicContact CB-CB 4.31Å; D88-K91 HydrophobicContact CB-CD 4.44Å; D88-K91 HydrophobicContact CB-CG 4.45Å; D88-K91 PolarHBondContact O-N 2.95Å; D88-K91 VanDerWaalsContact O-N 3.08Å; D88-K91 VanDerWaalsContact O-O 3.13Å; D88-K91 WeakPolarHBondContact OD2-CD 3.24Å; D88-K91 WeakPolarHBondContact OD2-CE 3.44Å; D88-K91 WeakPolarHBondContact OD2-CG 3.45Å; D88-K91 IonicContact OD2-NZ 2.74Å; L89-K91 VanDerWaalsContact C-N 3.35Å
92F86.9Confident84.6Confident173 Ų173140.2 Ų140.276%0.75971%0.714SS**PPolyproline II helixtrans-69.7140.6173.3-165.8-101.2000109.9F95F92-F95 HydrophobicContact CD1-CE2 4.47Å; F92-F95 HydrophobicContact CE1-CD2 4.26Å; F92-F95 AromaticContact CE1-CE2 3.6Å; F92-F95 HydrophobicContact CE1-CE2 3.6Å; F92-F95 AromaticContact CZ-CE2 3.91Å; F92-F95 HydrophobicContact CZ-CE2 3.91Å
93P87.6Confident83.9Confident78 Ų78137.3 Ų137.351%0.50671%0.714SS.*PPolyproline II helixtrans-69.9143.2-176.925.6-33.2000112.5F95P93-F95 HydrophobicContact CG-CE2 3.9Å; P93-F95 HydrophobicContact CG-CZ 3.89Å; P93-F95 WeakPolarHBondContact O-CD2 2.89Å; P93-F95 WeakPolarHBondContact O-CE2 3.38Å
94D86.1Confident83.1Confident160 Ų160141 Ų14186%0.85673%0.728SS**PPolyproline II helixtrans-82.1120.3170.6-67.9-41000110
95F87.6Confident82.1Confident132 Ų132138.8 Ų138.858%0.57973%0.734SS**PPolyproline II helixtrans-89.7122.5176.8-65.9-87.1000110.3F92 P93 F97F92-F95 HydrophobicContact CD1-CE2 4.47Å; F92-F95 HydrophobicContact CE1-CD2 4.26Å; F92-F95 AromaticContact CE1-CE2 3.6Å; F92-F95 HydrophobicContact CE1-CE2 3.6Å; F92-F95 AromaticContact CZ-CE2 3.91Å; F92-F95 HydrophobicContact CZ-CE2 3.91Å; P93-F95 HydrophobicContact CG-CE2 3.9Å; P93-F95 HydrophobicContact CG-CZ 3.89Å; P93-F95 WeakPolarHBondContact O-CD2 2.89Å; P93-F95 WeakPolarHBondContact O-CE2 3.38Å; F95-F97 HydrophobicContact CB-CE2 3.77Å; F95-F97 HydrophobicContact CB-CZ 3.86Å; F95-F97 HydrophobicContact CG-CZ 4.46Å
96K85.8Confident81.4Confident201 Ų201141.2 Ų141.287%0.87475%0.749SS**  trans-109.5116.3167.3-65.5-172.1-178.1-178.20108.9
97F86Confident80.3Confident183 Ų183151.2 Ų151.280%0.80377%0.774SS**PPolyproline II helixtrans-91116.2175.8-59.3-81.4000108.3F95F95-F97 HydrophobicContact CB-CE2 3.77Å; F95-F97 HydrophobicContact CB-CZ 3.86Å; F95-F97 HydrophobicContact CG-CZ 4.46Å
98S83.3Confident80.3Confident116 Ų116156.1 Ų156.181%0.81178%0.784SS**PPolyproline II helixtrans-76.7137.5169.945.20000109.9
99E82.1Confident80.1Confident187 Ų187160.1 Ų160.187%0.87480%0.803SS**PPolyproline II helixtrans-61.1136.2175.9-69.1178.6177.300110.9K101E99-K101 PolarHBondContact O-N 3.34Å
100V82.3Confident80Confident107 Ų107159.9 Ų159.965%0.64880%0.8SS**PPolyproline II helixtrans-68120.4178.5-179.80000108.2F102V100-F102 HydrophobicContact CB-CE2 4.37Å; V100-F102 HydrophobicContact CB-CZ 4.42Å; V100-F102 HydrophobicContact CG1-CE1 4.34Å; V100-F102 HydrophobicContact CG1-CE2 4.5Å; V100-F102 HydrophobicContact CG1-CZ 4.29Å; V100-F102 PolarHBondContact O-N 3.3Å
101K77.1Confident79.7Confident193 Ų193160.3 Ų160.384%0.83980%0.799SS**  trans-76.8112.8170-65.2-175.2-179.3-1790108E99E99-K101 PolarHBondContact O-N 3.34Å
102F79Confident79.2Confident180 Ų180160.8 Ų160.879%0.78981%0.807SS**  trans-82.4116.9172-66.1-81.2000108.5V100 E104V100-F102 HydrophobicContact CB-CE2 4.37Å; V100-F102 HydrophobicContact CB-CZ 4.42Å; V100-F102 HydrophobicContact CG1-CE1 4.34Å; V100-F102 HydrophobicContact CG1-CE2 4.5Å; V100-F102 HydrophobicContact CG1-CZ 4.29Å; V100-F102 PolarHBondContact O-N 3.3Å; F102-E104 PolarHBondContact O-N 3.46Å
103D77.5Confident78.7Confident150 Ų150159.9 Ų159.980%0.80281%0.811SS**  trans-77.8116.1167.2-66.7-32000107.7V105D103-V105 PolarHBondContact O-N 3.08Å; D103-V105 VanDerWaalsContact O-N 3.08Å
104E74.9Confident78Confident194 Ų194165.8 Ų165.891%0.90783%0.832SS**  trans-63.4110.4175.5-74.1-174.5161.800109.2F102 A106F102-E104 PolarHBondContact O-N 3.46Å; E104-A106 PolarHBondContact O-N 3.38Å
105V66Low77.4Confident144 Ų144166.2 Ų166.287%0.87383%0.831SS**  trans-69.2106.4171.3-1750000107.2D103 K107D103-V105 PolarHBondContact O-N 3.08Å; D103-V105 VanDerWaalsContact O-N 3.08Å; V105-K107 PolarHBondContact O-N 3.06Å
106A67.4Low76.6Confident95 Ų95169.1 Ų169.179%0.78585%0.852SS**  trans-53.3131.4177.400000110.5E104E104-A106 PolarHBondContact O-N 3.38Å
107K57.6Low75.7Confident279 Ų279166.2 Ų166.2100%1.21385%0.849SS**  trans-78.40-174.3-158.4-177.8-172-178.50112.5V105V105-K107 PolarHBondContact O-N 3.06Å

Retrieved 107 of 107 residues in 46.3 ms (Link to these results)