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Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB (A0A673WSK9), UniProt , Accession A0A060XQE9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486482, Length 296 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
1M39.7Very low55.5Low237 Ų237132.6 Ų132.6100%1.16773%0.729SS**  093.50-66.7-178-173.100108.2K3M1-K3 PolarHBondContact O-N 3.29Å
2S38.7Very low58.1Low110 Ų110125.8 Ų125.877%0.76971%0.712SS**  trans-72.4109.5177.4-171.40000108.3N4S2-N4 VanDerWaalsContact C-N 3.34Å; S2-N4 PolarHBondContact O-N 2.64Å
3K43.1Very low60.2Low196 Ų196126.2 Ų126.285%0.85271%0.71SS**  trans-71.796.6169.4-72.8-177.4179179.70106.5M1 F5M1-K3 PolarHBondContact O-N 3.29Å; K3-F5 PolarHBondContact O-N 2.83Å
4N46.6Very low61.7Low110 Ų110122.9 Ų122.959%0.58870%0.699SS**  trans-55.1115.6167.2-75-8.2000107.2S2 K6S2-N4 VanDerWaalsContact C-N 3.34Å; S2-N4 PolarHBondContact O-N 2.64Å; N4-K6 HydrophobicContact CB-CG 4.46Å; N4-K6 PolarHBondContact O-N 2.6Å
5F42.5Very low63.1Low203 Ų203117 Ų11789%0.8967%0.671SS**  trans-70.976.6175.5-144.5-90000107.3K3 G7K3-F5 PolarHBondContact O-N 2.83Å; F5-G7 PolarHBondContact O-N 3.36Å
6K58.5Low64.5Low158 Ų158116.8 Ų116.869%0.68766%0.662SS**  trans-66.1122.9170.6-63.4-167.5177.2-167.50105.8N4N4-K6 HydrophobicContact CB-CG 4.46Å; N4-K6 PolarHBondContact O-N 2.6Å
7G59.3Low65.6Low70 Ų70114.1 Ų114.172%0.72265%0.649SS**  trans-42.1151.5-164.800000115.8F5F5-G7 PolarHBondContact O-N 3.36Å
8G64.2Low66.5Low59 Ų59113.9 Ų113.961%0.60864%0.64SS**PPolyproline II helixtrans-58.8164.9-179.100000113.4S10G8-S10 PolarHBondContact O-N 3.41Å
9P68Low67.4Low100 Ų100111.3 Ų111.365%0.64963%0.63SS**PPolyproline II helixtrans-54.2134.5-178.2-18.928.7000111F11P9-F11 HydrophobicContact CB-CE1 4.25Å; P9-F11 HydrophobicContact CB-CE2 3.9Å; P9-F11 HydrophobicContact CB-CZ 3.71Å; P9-F11 HydrophobicContact CG-CE2 4.31Å; P9-F11 HydrophobicContact CG-CZ 4.02Å; P9-F11 WeakPolarHBondContact O-CD2 3.5Å; P9-F11 WeakPolarHBondContact O-CE2 3.45Å; P9-F11 PolarHBondContact O-N 3.44Å
10S68.3Low68.3Low53 Ų53112.1 Ų112.137%0.37163%0.626SS.*PPolyproline II helixtrans-68.6129.1170.2530000108.8G8 A15G8-S10 PolarHBondContact O-N 3.41Å; S10-A15 VanDerWaalsContact O-CB 3.27Å; S10-A15 WeakPolarHBondContact O-CB 2.95Å
11F81.9Confident69.1Low163 Ų163109.2 Ų109.272%0.71561%0.609SS**  trans-115.4158.5177.5-62.7-77.6000111.3P9P9-F11 HydrophobicContact CB-CE1 4.25Å; P9-F11 HydrophobicContact CB-CE2 3.9Å; P9-F11 HydrophobicContact CB-CZ 3.71Å; P9-F11 HydrophobicContact CG-CE2 4.31Å; P9-F11 HydrophobicContact CG-CZ 4.02Å; P9-F11 WeakPolarHBondContact O-CD2 3.5Å; P9-F11 WeakPolarHBondContact O-CE2 3.45Å; P9-F11 PolarHBondContact O-N 3.44Å
12G86.8Confident71Confident51 Ų51100.9 Ų100.953%0.52658%0.578SS.*THydrogen-bonded Turntrans64.7-136.8175.800000113.8S14 A15 E16G12-S14 PolarHBondContact O-N 2.97Å; G12-A15 WeakPolarHBondContact O-CB 3.25Å; G12-A15 PolarHBondContact O-N 2.81Å; G12-E16 PolarHBondContact O-N 3.44Å
13L84.9Confident73.4Confident131 Ų131102.7 Ų102.769%0.68657%0.574SS**Hα-helixtrans-55.2-37.9-176.7-173.466.8000112.8A15 E16 V17L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.13Å; L13-E16 PolarHBondContact O-N 2.97Å; L13-V17 HydrophobicContact CG-CG2 4.44Å; L13-V17 WeakPolarHBondContact O-CB 3.16Å; L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.23Å; L13-V17 PolarHBondContact O-N 2.81Å
14S81.4Confident75.6Confident80 Ų80100.7 Ų100.756%0.55957%0.565SS**Hα-helixtrans-64.6-35.4178.5-55.60000112.4G12 K18G12-S14 PolarHBondContact O-N 2.97Å; S14-K18 WeakPolarHBondContact O-CB 3.45Å; S14-K18 PolarHBondContact O-N 3.22Å
15A83.2Confident77.7Confident34 Ų3497.6 Ų97.628%0.28155%0.546SS..Hα-helixtrans-70-43.5176.300000111.4S10 G12 L13 K18 S19S10-A15 VanDerWaalsContact O-CB 3.27Å; S10-A15 WeakPolarHBondContact O-CB 2.95Å; G12-A15 WeakPolarHBondContact O-CB 3.25Å; G12-A15 PolarHBondContact O-N 2.81Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.13Å; A15-K18 PolarHBondContact O-N 2.63Å; A15-S19 WeakPolarHBondContact O-CB 3.5Å; A15-S19 PolarHBondContact O-N 3.09Å
16E85Confident80Confident113 Ų11390.4 Ų90.453%0.52852%0.517SS..Hα-helixtrans-63.6-42.9177.5-69.3-177.1-171.600112G12 L13 S19 K20G12-E16 PolarHBondContact O-N 3.44Å; L13-E16 PolarHBondContact O-N 2.97Å; E16-S19 PolarHBondContact O-N 2.86Å; E16-K20 WeakPolarHBondContact O-CB 3.4Å; E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 3.37Å
17V83.7Confident81.6Confident72 Ų7287.2 Ų87.244%0.43651%0.512SS..Hα-helixtrans-62.2-46.9176169.50000110.4L13 S19 K20 L21L13-V17 HydrophobicContact CG-CG2 4.44Å; L13-V17 WeakPolarHBondContact O-CB 3.16Å; L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.23Å; L13-V17 PolarHBondContact O-N 2.81Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.46Å; V17-K20 PolarHBondContact O-N 3.47Å; V17-L21 HydrophobicContact CG1-CD1 3.74Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 WeakPolarHBondContact O-CD1 3.38Å; V17-L21 PolarHBondContact O-N 3.08Å
18K81Confident83.1Confident110 Ų11090.9 Ų90.948%0.47851%0.511SS..Hα-helixtrans-61.3-40.4177-169.5173.5-175.8173.80112S14 A15 L21 A22S14-K18 WeakPolarHBondContact O-CB 3.45Å; S14-K18 PolarHBondContact O-N 3.22Å; A15-K18 PolarHBondContact O-N 2.63Å; K18-L21 PolarHBondContact O-N 3.13Å; K18-A22 WeakPolarHBondContact O-CB 3.28Å; K18-A22 PolarHBondContact O-N 3.39Å
19S84.4Confident84.4Confident65 Ų6592.2 Ų92.246%0.45550%0.5SS..Hα-helixtrans-64.9-46176.1-175.10000112A15 E16 V17 L21 A22 Q23A15-S19 WeakPolarHBondContact O-CB 3.5Å; A15-S19 PolarHBondContact O-N 3.09Å; E16-S19 PolarHBondContact O-N 2.86Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.46Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 3.45Å; S19-A22 PolarHBondContact O-N 3.46Å; S19-Q23 WeakPolarHBondContact O-CG 3.41Å; S19-Q23 PolarHBondContact O-N 3.41Å
20K85.1Confident85.5Confident126 Ų12689.1 Ų89.155%0.54848%0.477SS..Hα-helixtrans-62.5-36.5175.4-75.9176.2178.6170.90112.7E16 V17 Q23 K24E16-K20 WeakPolarHBondContact O-CB 3.4Å; E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 3.37Å; V17-K20 PolarHBondContact O-N 3.47Å; K20-Q23 PolarHBondContact O-N 2.99Å; K20-K24 PolarHBondContact O-N 3.33Å
21L84Confident86.7Confident52 Ų5290.3 Ų90.327%0.27248%0.476SS..Hα-helixtrans-65.7-46173.9-86.5152.3000111.2V17 K18 S19 Q23 K24 T117V17-L21 HydrophobicContact CG1-CD1 3.74Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 WeakPolarHBondContact O-CD1 3.38Å; V17-L21 PolarHBondContact O-N 3.08Å; K18-L21 PolarHBondContact O-N 3.13Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 3.45Å; L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.15Å; L21-K24 WeakPolarHBondContact O-CB 3.31Å; L21-K24 PolarHBondContact O-N 3.4Å; L21-K24 VanDerWaalsContact O-N 3.09Å; L21-T117 WeakPolarHBondContact O-CG2 3.19Å; L21-T117 PolarHBondContact O-OG1 2.89Å
22A81.3Confident87.1Confident62 Ų6287 Ų8751%0.51246%0.463SS..Hα-helixtrans-62.6-33.8176.900000112.3K18 S19 K24 Y25K18-A22 WeakPolarHBondContact O-CB 3.28Å; K18-A22 PolarHBondContact O-N 3.39Å; S19-A22 PolarHBondContact O-N 3.46Å; A22-K24 PolarHBondContact O-N 3.21Å; A22-Y25 WeakPolarHBondContact O-CB 3.47Å; A22-Y25 PolarHBondContact O-N 2.73Å; A22-Y25 VanDerWaalsContact O-N 3.12Å
23Q87.7Confident87.4Confident149 Ų14984.5 Ų84.570%0.69644%0.438SS*.Hα-helixtrans-64.8-24.2174.2-76.9176.3-14.600114S19 K20 L21 Y25S19-Q23 WeakPolarHBondContact O-CG 3.41Å; S19-Q23 PolarHBondContact O-N 3.41Å; K20-Q23 PolarHBondContact O-N 2.99Å; L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.15Å; Q23-Y25 VanDerWaalsContact C-N 3.27Å
24K89.1Confident87.8Confident153 Ų15379.3 Ų79.367%0.66541%0.409SS*.THydrogen-bonded Turntrans-81-11175.8-67.8177.4-178.6-173.90112.7K20 L21 A22 D26 T117K20-K24 PolarHBondContact O-N 3.33Å; L21-K24 WeakPolarHBondContact O-CB 3.31Å; L21-K24 PolarHBondContact O-N 3.4Å; L21-K24 VanDerWaalsContact O-N 3.09Å; A22-K24 PolarHBondContact O-N 3.21Å; K24-D26 PolarHBondContact O-N 3.45Å; K24-T117 HydrophobicContact CB-CG2 3.67Å
25Y90.8Very high88.4Confident46 Ų4678.3 Ų78.318%0.1840%0.397CS..  trans-71127.5176.6-167.2-94.6000109.7A22 Q23 E30 M50 Q120A22-Y25 WeakPolarHBondContact O-CB 3.47Å; A22-Y25 PolarHBondContact O-N 2.73Å; A22-Y25 VanDerWaalsContact O-N 3.12Å; Q23-Y25 VanDerWaalsContact C-N 3.27Å; Y25-E30 HydrophobicContact CE1-CB 4.42Å; Y25-E30 VanDerWaalsContact CE1-OE2 3.27Å; Y25-E30 WeakPolarHBondContact CE1-OE2 3.29Å; Y25-E30 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E30 VanDerWaalsContact OH-CD 3.26Å; Y25-E30 WeakPolarHBondContact OH-CG 3.37Å; Y25-E30 PolarHBondContact OH-OE2 2.87Å; Y25-M50 HydrophobicContact CE2-CE 3.66Å; Y25-M50 VanDerWaalsContact OH-CE 3.28Å; Y25-M50 WeakPolarHBondContact OH-CE 3.42Å; Y25-Q120 HydrophobicContact CD2-CB 4.33Å; Y25-Q120 HydrophobicContact CE2-CB 3.95Å; Y25-Q120 HydrophobicContact CE2-CG 4.41Å
26D92.1Very high88.8Confident52 Ų5276.8 Ų76.828%0.27838%0.384SS..  trans-113111.2-177.4-172-13.3000110.5K24 Q28 K29 E30 Q120K24-D26 PolarHBondContact O-N 3.45Å; D26-Q28 PolarHBondContact O-N 3.22Å; D26-Q28 WeakPolarHBondContact OD1-CB 3.46Å; D26-Q28 PolarHBondContact OD1-N 3.25Å; D26-K29 HydrophobicContact CB-CB 4.16Å; D26-K29 HydrophobicContact CB-CD 4.38Å; D26-K29 HydrophobicContact CB-CG 4.09Å; D26-K29 PolarHBondContact O-N 3.19Å; D26-E30 PolarHBondContact O-N 3.11Å; D26-E30 VanDerWaalsContact O-N 3.13Å; D26-Q120 VanDerWaalsContact N-OE1 3.11Å; D26-Q120 PolarHBondContact O-NE2 3.34Å
27P91.2Very high89.2Confident91 Ų9171.4 Ų71.459%0.59136%0.359SS*.Hα-helixtrans-60.8-27.8177.9-23.234000113.8E30 E31P27-E30 WeakPolarHBondContact O-CB 3.3Å; P27-E30 PolarHBondContact O-N 2.88Å; P27-E31 PolarHBondContact O-N 2.87Å
28Q91.3Very high89.7Confident147 Ų14770.4 Ų70.469%0.68735%0.349SS*.Hα-helixtrans-69.7-45.7178.6-65.5-175.1-24.600110.6D26 E30 E31 E32D26-Q28 PolarHBondContact O-N 3.22Å; D26-Q28 WeakPolarHBondContact OD1-CB 3.46Å; D26-Q28 PolarHBondContact OD1-N 3.25Å; Q28-E30 PolarHBondContact O-N 3.16Å; Q28-E31 PolarHBondContact O-N 2.87Å; Q28-E31 VanDerWaalsContact O-N 3.13Å; Q28-E32 PolarHBondContact O-N 2.78Å; Q28-E32 VanDerWaalsContact O-N 3.08Å
29K90.8Very high90.3Very high87 Ų8768.4 Ų68.438%0.37834%0.344SS..Hα-helixtrans-64.9-28.3175.2-65.6-165.2-176.2-174.10112.9D26 L33 I124D26-K29 HydrophobicContact CB-CB 4.16Å; D26-K29 HydrophobicContact CB-CD 4.38Å; D26-K29 HydrophobicContact CB-CG 4.09Å; D26-K29 PolarHBondContact O-N 3.19Å; K29-L33 VanDerWaalsContact O-CB 3.31Å; K29-L33 WeakPolarHBondContact O-CB 3.47Å; K29-L33 VanDerWaalsContact O-CG 3.26Å; K29-L33 WeakPolarHBondContact O-CG 3.23Å; K29-L33 PolarHBondContact O-N 2.94Å; K29-I124 HydrophobicContact CB-CD1 4.26Å; K29-I124 HydrophobicContact CD-CD1 3.67Å
30E92.4Very high90.6Very high35 Ų3566 Ų6616%0.16433%0.327CS..Hα-helixtrans-61.1-46.7171.8-171.9-165.7119.300111.1Y25 D26 P27 Q28 L33 R34 F49Y25-E30 HydrophobicContact CE1-CB 4.42Å; Y25-E30 VanDerWaalsContact CE1-OE2 3.27Å; Y25-E30 WeakPolarHBondContact CE1-OE2 3.29Å; Y25-E30 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E30 VanDerWaalsContact OH-CD 3.26Å; Y25-E30 WeakPolarHBondContact OH-CG 3.37Å; Y25-E30 PolarHBondContact OH-OE2 2.87Å; D26-E30 PolarHBondContact O-N 3.11Å; D26-E30 VanDerWaalsContact O-N 3.13Å; P27-E30 WeakPolarHBondContact O-CB 3.3Å; P27-E30 PolarHBondContact O-N 2.88Å; Q28-E30 PolarHBondContact O-N 3.16Å; E30-L33 PolarHBondContact O-N 3.5Å; E30-R34 WeakPolarHBondContact O-CB 3.38Å; E30-R34 PolarHBondContact O-N 2.96Å; E30-R34 IonicContact OE1-CZ 2.73Å; E30-R34 IonicContact OE1-NH2 2.69Å; E30-R34 PolarHBondContact OE1-NH2 3.38Å; E30-F49 HydrophobicContact CG-CB 3.95Å; E30-F49 HydrophobicContact CG-CD1 3.46Å; E30-F49 VanDerWaalsContact CG-CD1 3.46Å; E30-F49 HydrophobicContact CG-CE1 4.12Å; E30-F49 HydrophobicContact CG-CG 3.84Å; E30-F49 WeakPolarHBondContact OE1-CB 3.45Å
31E92.1Very high91Very high77 Ų7761.2 Ų61.236%0.3631%0.308SS..Hα-helixtrans-65.2-41.8178.4-174.358.5-154.300111.6P27 Q28 L33 R34 L35P27-E31 PolarHBondContact O-N 2.87Å; Q28-E31 PolarHBondContact O-N 2.87Å; Q28-E31 VanDerWaalsContact O-N 3.13Å; E31-L33 PolarHBondContact O-N 3.19Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 3.38Å; E31-R34 WeakPolarHBondContact OE2-CD 3.43Å; E31-R34 IonicContact OE2-CZ 3.91Å; E31-R34 IonicContact OE2-NE 3.15Å; E31-R34 PolarHBondContact OE2-NE 2.94Å; E31-R34 IonicContact OE2-NH1 2.6Å; E31-R34 PolarHBondContact OE2-NH1 2.66Å; E31-R34 IonicContact OE2-NH2 2.81Å; E31-L35 WeakPolarHBondContact O-CG 3.18Å; E31-L35 PolarHBondContact O-N 2.92Å
32E91.7Very high91.2Very high93 Ų9362.1 Ų62.144%0.43533%0.33SS..Hα-helixtrans-63.4-42.5175.8-64.9176.4160.300112.1Q28 R34 L35 W36 M141Q28-E32 PolarHBondContact O-N 2.78Å; Q28-E32 VanDerWaalsContact O-N 3.08Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 3.39Å; E32-L35 PolarHBondContact O-N 2.92Å; E32-W36 WeakPolarHBondContact O-CB 3.49Å; E32-W36 PolarHBondContact O-N 2.68Å; E32-M141 HydrophobicContact CB-CE 3.35Å; E32-M141 HydrophobicContact CB-CG 4.28Å; E32-M141 HydrophobicContact CB-SD 3.47Å; E32-M141 WeakPolarHBondContact CB-SD 3.16Å; E32-M141 HydrophobicContact CG-CE 4.41Å; E32-M141 HydrophobicContact CG-SD 4.21Å; E32-M141 WeakPolarHBondContact OE2-CE 3.05Å
33L93.3Very high91.6Very high0 Ų063 Ų630%032%0.322CS..Hα-helixtrans-61.1-41.1173.7-81.9176.6000111.5K29 E30 E31 W36 I37 F49 Q120 L123 I124 M141K29-L33 VanDerWaalsContact O-CB 3.31Å; K29-L33 WeakPolarHBondContact O-CB 3.47Å; K29-L33 VanDerWaalsContact O-CG 3.26Å; K29-L33 WeakPolarHBondContact O-CG 3.23Å; K29-L33 PolarHBondContact O-N 2.94Å; E30-L33 PolarHBondContact O-N 3.5Å; E31-L33 PolarHBondContact O-N 3.19Å; L33-W36 PolarHBondContact O-N 2.95Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.73Å; L33-F49 HydrophobicContact CB-CZ 4.12Å; L33-Q120 HydrophobicContact CD1-CG 3.81Å; L33-L123 HydrophobicContact CD1-CB 4.04Å; L33-L123 HydrophobicContact CD1-CD1 4.49Å; L33-L123 HydrophobicContact CD2-CB 3.8Å; L33-I124 HydrophobicContact CD1-CG1 4.02Å; L33-I124 HydrophobicContact CD2-CG1 3.98Å; L33-I124 HydrophobicContact CG-CG1 4.11Å; L33-M141 HydrophobicContact CD2-CE 4.27Å; L33-M141 HydrophobicContact CG-CE 4.14Å
34R93.3Very high91.7Very high21 Ų2165 Ų658%0.07933%0.328CS..Hα-helixtrans-59.3-52.2176.4-178.7-170.4-54.6-176.5-9110.3E30 E31 E32 W36 I37 Q38 I45 D47 F49E30-R34 WeakPolarHBondContact O-CB 3.38Å; E30-R34 PolarHBondContact O-N 2.96Å; E30-R34 IonicContact OE1-CZ 2.73Å; E30-R34 IonicContact OE1-NH2 2.69Å; E30-R34 PolarHBondContact OE1-NH2 3.38Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 3.38Å; E31-R34 WeakPolarHBondContact OE2-CD 3.43Å; E31-R34 IonicContact OE2-CZ 3.91Å; E31-R34 IonicContact OE2-NE 3.15Å; E31-R34 PolarHBondContact OE2-NE 2.94Å; E31-R34 IonicContact OE2-NH1 2.6Å; E31-R34 PolarHBondContact OE2-NH1 2.66Å; E31-R34 IonicContact OE2-NH2 2.81Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 3.39Å; R34-W36 VanDerWaalsContact C-N 3.3Å; R34-W36 PolarHBondContact O-N 3.5Å; R34-I37 PolarHBondContact O-N 2.67Å; R34-Q38 WeakPolarHBondContact O-CB 3.37Å; R34-Q38 WeakPolarHBondContact O-CG 3.31Å; R34-Q38 PolarHBondContact O-N 3.3Å; R34-I45 HydrophobicContact CG-CB 4.26Å; R34-D47 IonicContact CZ-OD1 3.06Å; R34-D47 IonicContact NH1-OD1 2.68Å; R34-D47 PolarHBondContact NH1-OD1 3.23Å; R34-D47 IonicContact NH1-OD2 3.91Å; R34-D47 IonicContact NH2-OD1 3.88Å; R34-D47 PolarHBondContact NH2-OD1 2.93Å; R34-F49 HydrophobicContact CB-CD2 3.79Å; R34-F49 HydrophobicContact CB-CE2 3.83Å; R34-F49 HydrophobicContact CG-CD2 3.98Å; R34-F49 HydrophobicContact CG-CE2 4.32Å
35L92.6Very high91.8Very high60 Ų6058 Ų5831%0.31430%0.298SS..Hα-helixtrans-59.8-40.2177.6-67.3174.5000112.3E31 E32 Q38 D39E31-L35 WeakPolarHBondContact O-CG 3.18Å; E31-L35 PolarHBondContact O-N 2.92Å; E32-L35 PolarHBondContact O-N 2.92Å; L35-Q38 PolarHBondContact O-N 2.81Å; L35-D39 WeakPolarHBondContact O-CB 3.38Å; L35-D39 PolarHBondContact O-N 3.39Å
36W92.9Very high91.7Very high2 Ų258.4 Ų58.41%0.00831%0.311CS..Hα-helixtrans-63.9-50.1176.4178.372.6000112.4E32 L33 R34 Q38 D39 V40 L62 L66 A127 A130 S137 H139 M141E32-W36 WeakPolarHBondContact O-CB 3.49Å; E32-W36 PolarHBondContact O-N 2.68Å; L33-W36 PolarHBondContact O-N 2.95Å; R34-W36 VanDerWaalsContact C-N 3.3Å; R34-W36 PolarHBondContact O-N 3.5Å; W36-Q38 VanDerWaalsContact C-N 3.3Å; W36-Q38 PolarHBondContact O-N 3.32Å; W36-D39 PolarHBondContact O-N 2.91Å; W36-V40 HydrophobicContact CD2-CG2 4.19Å; W36-V40 HydrophobicContact CG-CG2 4.4Å; W36-V40 HydrophobicContact CZ2-CG2 4.07Å; W36-V40 VanDerWaalsContact O-CG2 3.23Å; W36-V40 WeakPolarHBondContact O-CG2 3.38Å; W36-V40 PolarHBondContact O-N 3Å; W36-L62 HydrophobicContact CH2-CD1 3.94Å; W36-L62 HydrophobicContact CH2-CD2 4.26Å; W36-L62 HydrophobicContact CH2-CG 4.48Å; W36-L62 HydrophobicContact CZ3-CD1 3.98Å; W36-L62 HydrophobicContact CZ3-CD2 3.9Å; W36-L62 HydrophobicContact CZ3-CG 4.48Å; W36-L66 HydrophobicContact CH2-CD1 4.14Å; W36-L66 HydrophobicContact CZ2-CD1 4.42Å; W36-A127 HydrophobicContact CD2-CB 4Å; W36-A127 HydrophobicContact CE3-CB 4.17Å; W36-A127 HydrophobicContact CH2-CB 3.93Å; W36-A127 HydrophobicContact CZ2-CB 3.73Å; W36-A127 HydrophobicContact CZ3-CB 4.14Å; W36-A130 HydrophobicContact CZ2-CB 4.44Å; W36-S137 VanDerWaalsContact CD1-OG 3.24Å; W36-S137 PolarHBondContact NE1-OG 3.07Å; W36-H139 HydrophobicContact CB-CB 4.46Å; W36-M141 HydrophobicContact CB-CB 4.5Å; W36-M141 HydrophobicContact CB-CG 4.14Å; W36-M141 HydrophobicContact CG-CB 4.32Å; W36-M141 HydrophobicContact CG-CG 4.47Å
37I93.3Very high91.5Very high0 Ų061.7 Ų61.70%033%0.329CS..Hα-helixtrans-63-39.4178.7-63.3174.1000110.5L33 R34 D39 V40 T41 I45 F49 I58 L62 L123L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.73Å; R34-I37 PolarHBondContact O-N 2.67Å; I37-D39 VanDerWaalsContact C-N 3.34Å; I37-D39 PolarHBondContact O-N 3.43Å; I37-V40 PolarHBondContact O-N 2.81Å; I37-T41 HydrophobicContact CG2-CG2 4.05Å; I37-T41 WeakPolarHBondContact O-CB 3.43Å; I37-T41 WeakPolarHBondContact O-CG2 3.31Å; I37-T41 PolarHBondContact O-N 3.13Å; I37-T41 PolarHBondContact O-OG1 3.28Å; I37-I45 HydrophobicContact CB-CD1 3.97Å; I37-I45 HydrophobicContact CG2-CD1 3.7Å; I37-F49 HydrophobicContact CD1-CE2 4.14Å; I37-F49 HydrophobicContact CD1-CZ 3.88Å; I37-I58 HydrophobicContact CG2-CG2 3.67Å; I37-L62 HydrophobicContact CD1-CD2 4.37Å; I37-L62 HydrophobicContact CG1-CD2 4.13Å; I37-L62 HydrophobicContact CG2-CD1 4.49Å; I37-L123 HydrophobicContact CD1-CD1 4.3Å
38Q93.8Very high91.4Very high50 Ų5061.3 Ų61.323%0.23433%0.326CS..Hα-helixtrans-62.8-40.6176.3-68.7-173.414.700111.9R34 L35 W36 G42 K43 I45R34-Q38 WeakPolarHBondContact O-CB 3.37Å; R34-Q38 WeakPolarHBondContact O-CG 3.31Å; R34-Q38 PolarHBondContact O-N 3.3Å; L35-Q38 PolarHBondContact O-N 2.81Å; W36-Q38 VanDerWaalsContact C-N 3.3Å; W36-Q38 PolarHBondContact O-N 3.32Å; Q38-G42 WeakPolarHBondContact O-CA 3.29Å; Q38-G42 PolarHBondContact O-N 3.01Å; Q38-K43 WeakPolarHBondContact CA-O 3.31Å; Q38-K43 VanDerWaalsContact CG-O 3.23Å; Q38-K43 WeakPolarHBondContact CG-O 3.05Å; Q38-I45 HydrophobicContact CG-CB 4.32Å; Q38-I45 HydrophobicContact CG-CD1 4.18Å; Q38-I45 HydrophobicContact CG-CG1 4Å; Q38-I45 VanDerWaalsContact NE2-N 3.14Å; Q38-I45 PolarHBondContact NE2-O 3.4Å
39D92.3Very high91.4Very high68 Ų6854.3 Ų54.336%0.36429%0.294SS..Hα-helixtrans-66.2-42.5176.7-170.262.3000111.7L35 W36 I37 S137 K138L35-D39 WeakPolarHBondContact O-CB 3.38Å; L35-D39 PolarHBondContact O-N 3.39Å; W36-D39 PolarHBondContact O-N 2.91Å; I37-D39 VanDerWaalsContact C-N 3.34Å; I37-D39 PolarHBondContact O-N 3.43Å; D39-S137 WeakPolarHBondContact OD2-CB 3.43Å; D39-K138 PolarHBondContact OD2-N 3.13Å
40V92.3Very high91.5Very high16 Ų1650.5 Ų50.510%0.09728%0.277CS..Hα-helixtrans-74.5-37.5-177.7177.70000112.8W36 I37 L62 T65 L66 F135W36-V40 HydrophobicContact CD2-CG2 4.19Å; W36-V40 HydrophobicContact CG-CG2 4.4Å; W36-V40 HydrophobicContact CZ2-CG2 4.07Å; W36-V40 VanDerWaalsContact O-CG2 3.23Å; W36-V40 WeakPolarHBondContact O-CG2 3.38Å; W36-V40 PolarHBondContact O-N 3Å; I37-V40 PolarHBondContact O-N 2.81Å; V40-L62 HydrophobicContact CB-CD1 3.88Å; V40-L62 HydrophobicContact CG1-CD1 3.52Å; V40-T65 VanDerWaalsContact CG1-OG1 3.3Å; V40-T65 WeakPolarHBondContact CG1-OG1 3.35Å; V40-L66 HydrophobicContact CG1-CD2 4.04Å; V40-L66 HydrophobicContact CG1-CG 4.31Å; V40-F135 HydrophobicContact CG1-CE1 4.29Å; V40-F135 HydrophobicContact CG1-CZ 4.02Å; V40-F135 HydrophobicContact CG2-CE1 3.81Å; V40-F135 HydrophobicContact CG2-CZ 4.29Å
41T91.9Very high91.4Very high25 Ų2553 Ų5315%0.15329%0.289CS..Hα-helixtrans-97.3-18.8-176.762.70000113.5I37 K43 L62I37-T41 HydrophobicContact CG2-CG2 4.05Å; I37-T41 WeakPolarHBondContact O-CB 3.43Å; I37-T41 WeakPolarHBondContact O-CG2 3.31Å; I37-T41 PolarHBondContact O-N 3.13Å; I37-T41 PolarHBondContact O-OG1 3.28Å; T41-K43 PolarHBondContact O-N 2.85Å; T41-K43 PolarHBondContact OG1-N 3.35Å; T41-L62 HydrophobicContact CG2-CB 3.88Å; T41-L62 HydrophobicContact CG2-CD1 4.09Å
42G90.1Very high91.4Very high71 Ų7151.7 Ų51.773%0.73228%0.284SS*.  trans70.25.6-17200000114.4Q38Q38-G42 WeakPolarHBondContact O-CA 3.29Å; Q38-G42 PolarHBondContact O-N 3.01Å
43K89.5Confident91.5Very high80 Ų8047.3 Ų47.335%0.34826%0.264SS..  trans-96.3139.6-179.6-69.9-167.1173.3-176.20111.2Q38 T41 E61Q38-K43 WeakPolarHBondContact CA-O 3.31Å; Q38-K43 VanDerWaalsContact CG-O 3.23Å; Q38-K43 WeakPolarHBondContact CG-O 3.05Å; T41-K43 PolarHBondContact O-N 2.85Å; T41-K43 PolarHBondContact OG1-N 3.35Å; K43-E61 VanDerWaalsContact CD-OE2 3.25Å; K43-E61 WeakPolarHBondContact CD-OE2 3.32Å; K43-E61 WeakPolarHBondContact CE-OE1 3.18Å; K43-E61 WeakPolarHBondContact CE-OE2 3.43Å; K43-E61 IonicContact NZ-OE1 2.65Å; K43-E61 PolarHBondContact NZ-OE1 3.22Å; K43-E61 IonicContact NZ-OE2 3.33Å; K43-E61 PolarHBondContact NZ-OE2 3.04Å
44K89.4Confident91.5Very high190 Ų19048.4 Ų48.483%0.82627%0.269SS*.  trans-80.1129.6173.6-168.2175.3-178.9179.30110.1
45I90.9Very high91.5Very high7 Ų750.1 Ų50.14%0.03628%0.279CS..  trans-105.5124.5177-56.1173.4000108R34 I37 Q38 F49 N52 I58R34-I45 HydrophobicContact CG-CB 4.26Å; I37-I45 HydrophobicContact CB-CD1 3.97Å; I37-I45 HydrophobicContact CG2-CD1 3.7Å; Q38-I45 HydrophobicContact CG-CB 4.32Å; Q38-I45 HydrophobicContact CG-CD1 4.18Å; Q38-I45 HydrophobicContact CG-CG1 4Å; Q38-I45 VanDerWaalsContact NE2-N 3.14Å; Q38-I45 PolarHBondContact NE2-O 3.4Å; I45-F49 HydrophobicContact CD1-CD2 4.42Å; I45-F49 HydrophobicContact CD1-CE2 4.03Å; I45-F49 HydrophobicContact CG2-CD2 3.88Å; I45-N52 HydrophobicContact CG2-CB 3.67Å; I45-I58 HydrophobicContact CD1-CG2 4.38Å; I45-I58 HydrophobicContact CG1-CD1 4.14Å
46A89.3Confident91.6Very high55 Ų5547.2 Ų47.246%0.45526%0.264SS..PPolyproline II helixtrans-87.1166.8177.400000111.8P48 N52A46-P48 CarbonylContact O-C 3.55Å; A46-N52 PolarHBondContact O-ND2 3.19Å
47D86.9Confident91.7Very high120 Ų12047.8 Ų47.864%0.64227%0.268SS*.SBendtrans-79139.5168.5-68.9-59.1000110.7R34R34-D47 IonicContact CZ-OD1 3.06Å; R34-D47 IonicContact NH1-OD1 2.68Å; R34-D47 PolarHBondContact NH1-OD1 3.23Å; R34-D47 IonicContact NH1-OD2 3.91Å; R34-D47 IonicContact NH2-OD1 3.88Å; R34-D47 PolarHBondContact NH2-OD1 2.93Å
48P89.7Confident91.8Very high83 Ų8348.6 Ų48.654%0.53927%0.272SS..SBendcis-79.1139.1-2.7-11.728.9000112.9A46 M50 E51 N52A46-P48 CarbonylContact O-C 3.55Å; P48-M50 PolarHBondContact O-N 3.16Å; P48-E51 HydrophobicContact CB-CB 4.46Å; P48-E51 HydrophobicContact CB-CG 4.05Å; P48-E51 HydrophobicContact CG-CG 4.04Å; P48-E51 PolarHBondContact O-N 3.05Å; P48-N52 PolarHBondContact O-N 3.25Å; P48-N52 PolarHBondContact O-ND2 3.25Å
49F91.6Very high91.9Very high1 Ų146.2 Ų46.20%0.00426%0.261CS..Hα-helixtrans-53.2-51.5-177.8173.8-110000113.5E30 L33 R34 I37 I45 E51 N52 L53E30-F49 HydrophobicContact CG-CB 3.95Å; E30-F49 HydrophobicContact CG-CD1 3.46Å; E30-F49 VanDerWaalsContact CG-CD1 3.46Å; E30-F49 HydrophobicContact CG-CE1 4.12Å; E30-F49 HydrophobicContact CG-CG 3.84Å; E30-F49 WeakPolarHBondContact OE1-CB 3.45Å; L33-F49 HydrophobicContact CB-CZ 4.12Å; R34-F49 HydrophobicContact CB-CD2 3.79Å; R34-F49 HydrophobicContact CB-CE2 3.83Å; R34-F49 HydrophobicContact CG-CD2 3.98Å; R34-F49 HydrophobicContact CG-CE2 4.32Å; I37-F49 HydrophobicContact CD1-CE2 4.14Å; I37-F49 HydrophobicContact CD1-CZ 3.88Å; I45-F49 HydrophobicContact CD1-CD2 4.42Å; I45-F49 HydrophobicContact CD1-CE2 4.03Å; I45-F49 HydrophobicContact CG2-CD2 3.88Å; F49-E51 VanDerWaalsContact C-N 3.32Å; F49-E51 PolarHBondContact O-N 3.44Å; F49-N52 PolarHBondContact O-N 2.97Å; F49-N52 VanDerWaalsContact O-N 3.17Å; F49-L53 HydrophobicContact CD1-CD1 4.28Å; F49-L53 HydrophobicContact CE1-CD1 3.67Å; F49-L53 HydrophobicContact CE2-CD1 4.07Å; F49-L53 HydrophobicContact CZ-CD1 3.56Å; F49-L53 HydrophobicContact CZ-CG 4.49Å; F49-L53 PolarHBondContact O-N 3.35Å
50M91.8Very high92.1Very high6 Ų643 Ų433%0.0324%0.243CC..Hα-helixtrans-63.3-35.8-176.2-71.9-64.6-18000113Y25 P48 N52 L53 K54 L110 Y116 V119 Q120Y25-M50 HydrophobicContact CE2-CE 3.66Å; Y25-M50 VanDerWaalsContact OH-CE 3.28Å; Y25-M50 WeakPolarHBondContact OH-CE 3.42Å; P48-M50 PolarHBondContact O-N 3.16Å; M50-N52 VanDerWaalsContact C-N 3.27Å; M50-N52 PolarHBondContact O-N 3.02Å; M50-L53 PolarHBondContact O-N 3.06Å; M50-L53 VanDerWaalsContact O-N 3.16Å; M50-K54 WeakPolarHBondContact O-CG 3.49Å; M50-K54 PolarHBondContact O-N 2.91Å; M50-L110 HydrophobicContact SD-CD1 4.09Å; M50-Y116 HydrophobicContact CB-CD1 4.39Å; M50-Y116 HydrophobicContact CB-CD2 4.26Å; M50-Y116 HydrophobicContact CB-CE1 3.97Å; M50-Y116 HydrophobicContact CB-CE2 3.83Å; M50-Y116 HydrophobicContact CG-CD1 4.16Å; M50-Y116 HydrophobicContact CG-CD2 3.88Å; M50-Y116 HydrophobicContact CG-CE1 4.25Å; M50-Y116 HydrophobicContact CG-CE2 3.97Å; M50-Y116 HydrophobicContact CG-CG 3.96Å; M50-Y116 HydrophobicContact SD-CD1 4.28Å; M50-Y116 HydrophobicContact SD-CG 4.35Å; M50-V119 HydrophobicContact CE-CB 4.38Å; M50-V119 HydrophobicContact CE-CG1 4.38Å; M50-V119 HydrophobicContact SD-CG1 4.22Å; M50-Q120 HydrophobicContact CE-CB 4.33Å
51E91.1Very high92.2Very high87 Ų8744.5 Ų44.541%0.40725%0.25SC..Hα-helixtrans-65.7-32.4178.9-63.1-63.6142.200111.8P48 F49 L53 K54 Y116P48-E51 HydrophobicContact CB-CB 4.46Å; P48-E51 HydrophobicContact CB-CG 4.05Å; P48-E51 HydrophobicContact CG-CG 4.04Å; P48-E51 PolarHBondContact O-N 3.05Å; F49-E51 VanDerWaalsContact C-N 3.32Å; F49-E51 PolarHBondContact O-N 3.44Å; E51-L53 VanDerWaalsContact C-N 3.26Å; E51-L53 PolarHBondContact O-N 3.01Å; E51-K54 VanDerWaalsContact CD-CE 3.45Å; E51-K54 PolarHBondContact O-N 3.35Å; E51-K54 VanDerWaalsContact OE1-CE 3.26Å; E51-K54 WeakPolarHBondContact OE1-CE 3.42Å; E51-K54 IonicContact OE1-NZ 2.95Å; E51-K54 PolarHBondContact OE1-NZ 3.42Å; E51-K54 WeakPolarHBondContact OE2-CD 3.41Å; E51-K54 VanDerWaalsContact OE2-CE 3.25Å; E51-K54 WeakPolarHBondContact OE2-CE 3.29Å; E51-K54 IonicContact OE2-NZ 3.82Å; E51-K54 PolarHBondContact OE2-NZ 3.25Å; E51-Y116 PolarHBondContact OE1-OH 3.4Å; E51-Y116 VanDerWaalsContact OE1-OH 3.13Å
52N92.8Very high92.4Very high51 Ų5143.3 Ų43.327%0.27324%0.242SC..Hα-helixtrans-73.8-17.4177.3-76.5-101.6000113I45 A46 P48 F49 M50I45-N52 HydrophobicContact CG2-CB 3.67Å; A46-N52 PolarHBondContact O-ND2 3.19Å; P48-N52 PolarHBondContact O-N 3.25Å; P48-N52 PolarHBondContact O-ND2 3.25Å; F49-N52 PolarHBondContact O-N 2.97Å; F49-N52 VanDerWaalsContact O-N 3.17Å; M50-N52 VanDerWaalsContact C-N 3.27Å; M50-N52 PolarHBondContact O-N 3.02Å
53L93.8Very high92.7Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-91.9-13.2176.6-61.5-178.5000113F49 M50 E51 D55 G56 I58 L59 L110 L123F49-L53 HydrophobicContact CD1-CD1 4.28Å; F49-L53 HydrophobicContact CE1-CD1 3.67Å; F49-L53 HydrophobicContact CE2-CD1 4.07Å; F49-L53 HydrophobicContact CZ-CD1 3.56Å; F49-L53 HydrophobicContact CZ-CG 4.49Å; F49-L53 PolarHBondContact O-N 3.35Å; M50-L53 PolarHBondContact O-N 3.06Å; M50-L53 VanDerWaalsContact O-N 3.16Å; E51-L53 VanDerWaalsContact C-N 3.26Å; E51-L53 PolarHBondContact O-N 3.01Å; L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 3.31Å; L53-G56 PolarHBondContact O-N 3.35Å; L53-I58 HydrophobicContact CD2-CB 4.04Å; L53-I58 HydrophobicContact CD2-CG2 3.91Å; L53-L59 HydrophobicContact CB-CG 4.45Å; L53-L59 HydrophobicContact CD1-CD2 4.35Å; L53-L59 HydrophobicContact CD2-CD2 4.09Å; L53-L59 HydrophobicContact CD2-CG 4.36Å; L53-L110 HydrophobicContact CB-CD1 4.38Å; L53-L110 HydrophobicContact CB-CD2 4.09Å; L53-L110 WeakPolarHBondContact O-CD2 3.38Å; L53-L123 HydrophobicContact CD1-CD1 4.08Å
54K93.4Very high93Very high24 Ų2438 Ų3810%0.10420%0.201CC..THydrogen-bonded Turntrans-65.2-27.3-173.2-78.3-172.1-176175.80115.5M50 E51 G56 I87 L110 N113 Y116M50-K54 WeakPolarHBondContact O-CG 3.49Å; M50-K54 PolarHBondContact O-N 2.91Å; E51-K54 VanDerWaalsContact CD-CE 3.45Å; E51-K54 PolarHBondContact O-N 3.35Å; E51-K54 VanDerWaalsContact OE1-CE 3.26Å; E51-K54 WeakPolarHBondContact OE1-CE 3.42Å; E51-K54 IonicContact OE1-NZ 2.95Å; E51-K54 PolarHBondContact OE1-NZ 3.42Å; E51-K54 WeakPolarHBondContact OE2-CD 3.41Å; E51-K54 VanDerWaalsContact OE2-CE 3.25Å; E51-K54 WeakPolarHBondContact OE2-CE 3.29Å; E51-K54 IonicContact OE2-NZ 3.82Å; E51-K54 PolarHBondContact OE2-NZ 3.25Å; K54-G56 PolarHBondContact O-N 3.49Å; K54-I87 WeakPolarHBondContact O-CD1 3.34Å; K54-L110 WeakPolarHBondContact CE-O 3.48Å; K54-L110 HydrophobicContact CG-CD1 4.27Å; K54-L110 HydrophobicContact CG-CG 4.28Å; K54-N113 WeakPolarHBondContact CE-OD1 3.25Å; K54-N113 PolarHBondContact NZ-ND2 3.24Å; K54-N113 PolarHBondContact NZ-OD1 2.86Å; K54-Y116 WeakPolarHBondContact CE-OH 2.84Å
55D92.9Very high93.2Very high56 Ų5631.9 Ų31.930%0.29918%0.18SC..THydrogen-bonded Turntrans-72.7-13.1175.868.16.2000112.4L53 V57 Q83 N86L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 3.31Å; D55-V57 HydrophobicContact CB-CG2 4.21Å; D55-V57 PolarHBondContact O-N 3.34Å; D55-V57 PolarHBondContact OD1-N 3.42Å; D55-Q83 HydrophobicContact CB-CG 4.31Å; D55-N86 WeakPolarHBondContact O-CB 3.26Å; D55-N86 PolarHBondContact O-ND2 3.1Å
56G93.6Very high93.3Very high0 Ų032.4 Ų32.40%018%0.182CC..SBendtrans69.62-177.700000114.5L53 K54 C60L53-G56 PolarHBondContact O-N 3.35Å; K54-G56 PolarHBondContact O-N 3.49Å; G56-C60 WeakPolarHBondContact O-CB 3.42Å; G56-C60 PolarHBondContact O-N 3.39Å; G56-C60 PolarHBondContact O-SG 3.44Å
57V95.1Very high93.5Very high14 Ų1433 Ų339%0.08518%0.176CC..Hα-helixtrans-69.7-51.4-175.8175.50000109.9D55 L59 C60 E61 I74D55-V57 HydrophobicContact CB-CG2 4.21Å; D55-V57 PolarHBondContact O-N 3.34Å; D55-V57 PolarHBondContact OD1-N 3.42Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 PolarHBondContact O-N 3.16Å; V57-C60 PolarHBondContact O-N 3.4Å; V57-E61 WeakPolarHBondContact O-CG 3.33Å; V57-E61 PolarHBondContact O-N 3.17Å; V57-I74 HydrophobicContact CB-CG2 4.27Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å; V57-I74 HydrophobicContact CG2-CG2 4.1Å
58I95.4Very high93.8Very high16 Ų1632.8 Ų32.88%0.08218%0.181CC..Hα-helixtrans-60.9-38.3178.8-60.1-179.1000110.7I37 I45 L53 E61 L62I37-I58 HydrophobicContact CG2-CG2 3.67Å; I45-I58 HydrophobicContact CD1-CG2 4.38Å; I45-I58 HydrophobicContact CG1-CD1 4.14Å; L53-I58 HydrophobicContact CD2-CB 4.04Å; L53-I58 HydrophobicContact CD2-CG2 3.91Å; I58-E61 PolarHBondContact O-N 2.69Å; I58-L62 VanDerWaalsContact O-CB 3.29Å; I58-L62 WeakPolarHBondContact O-CB 3.4Å; I58-L62 PolarHBondContact O-N 3.17Å
59L96.1Very high93.9Very high0 Ų031.8 Ų31.80%019%0.185CC..Hα-helixtrans-65.6-44.5177.7-65.1179.5000112L53 V57 E61 L62 I63 F90 F105 L110 L123L53-L59 HydrophobicContact CB-CG 4.45Å; L53-L59 HydrophobicContact CD1-CD2 4.35Å; L53-L59 HydrophobicContact CD2-CD2 4.09Å; L53-L59 HydrophobicContact CD2-CG 4.36Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 PolarHBondContact O-N 3.16Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 PolarHBondContact O-N 2.68Å; L59-L62 WeakPolarHBondContact O-CB 3.39Å; L59-L62 PolarHBondContact O-N 3.39Å; L59-I63 PolarHBondContact O-N 2.92Å; L59-I63 VanDerWaalsContact O-N 3.13Å; L59-F90 HydrophobicContact CB-CB 4.09Å; L59-F90 HydrophobicContact CB-CD1 3.97Å; L59-F90 HydrophobicContact CB-CD2 3.79Å; L59-F90 HydrophobicContact CB-CE1 4.29Å; L59-F90 HydrophobicContact CB-CE2 4.13Å; L59-F90 HydrophobicContact CB-CG 3.69Å; L59-F90 HydrophobicContact CB-CZ 4.36Å; L59-F90 HydrophobicContact CD1-CD1 4.01Å; L59-F90 HydrophobicContact CD1-CE1 4.25Å; L59-F90 HydrophobicContact CD1-CG 4.49Å; L59-F90 HydrophobicContact CD2-CD1 4.5Å; L59-F90 HydrophobicContact CD2-CE1 4.06Å; L59-F90 HydrophobicContact CD2-CZ 4.07Å; L59-F90 HydrophobicContact CG-CD1 4.4Å; L59-F90 HydrophobicContact CG-CE1 4.45Å; L59-F90 WeakPolarHBondContact O-CD2 3.26Å; L59-F90 VanDerWaalsContact O-CE2 3.31Å; L59-F90 WeakPolarHBondContact O-CE2 3.31Å; L59-F105 HydrophobicContact CD1-CZ 4.32Å; L59-L110 HydrophobicContact CD1-CD2 3.65Å; L59-L123 HydrophobicContact CD2-CD2 4.01Å
60C96.3Very high94Very high0 Ų033.3 Ų33.30%020%0.196CC..Hα-helixtrans-64.8-36.9176.8-70.10000112.3G56 V57 I63 N64 V71 I74 N86G56-C60 WeakPolarHBondContact O-CB 3.42Å; G56-C60 PolarHBondContact O-N 3.39Å; G56-C60 PolarHBondContact O-SG 3.44Å; V57-C60 PolarHBondContact O-N 3.4Å; C60-I63 VanDerWaalsContact O-CG2 3.31Å; C60-I63 WeakPolarHBondContact O-CG2 3.33Å; C60-N64 WeakPolarHBondContact O-CB 3.38Å; C60-N64 PolarHBondContact O-N 3.35Å; C60-N64 VanDerWaalsContact O-N 3.15Å; C60-N64 PolarHBondContact O-ND2 2.92Å; C60-V71 HydrophobicContact CB-CB 4.34Å; C60-V71 HydrophobicContact CB-CG1 4.14Å; C60-V71 HydrophobicContact CB-CG2 4.28Å; C60-I74 HydrophobicContact CB-CD1 3.58Å; C60-I74 HydrophobicContact CB-CG1 3.71Å; C60-I74 HydrophobicContact CB-CG2 4.15Å; C60-N86 PolarHBondContact SG-O 2.95Å
61E95.1Very high94.2Very high49 Ų4933.5 Ų33.523%0.22920%0.198CC..Hα-helixtrans-68.8-42.2175.2-71.5170.8161.700111.8K43 V57 I58 L59 I63 N64 T65 I74K43-E61 VanDerWaalsContact CD-OE2 3.25Å; K43-E61 WeakPolarHBondContact CD-OE2 3.32Å; K43-E61 WeakPolarHBondContact CE-OE1 3.18Å; K43-E61 WeakPolarHBondContact CE-OE2 3.43Å; K43-E61 IonicContact NZ-OE1 2.65Å; K43-E61 PolarHBondContact NZ-OE1 3.22Å; K43-E61 IonicContact NZ-OE2 3.33Å; K43-E61 PolarHBondContact NZ-OE2 3.04Å; V57-E61 WeakPolarHBondContact O-CG 3.33Å; V57-E61 PolarHBondContact O-N 3.17Å; I58-E61 PolarHBondContact O-N 2.69Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 PolarHBondContact O-N 2.68Å; E61-I63 VanDerWaalsContact C-N 3.34Å; E61-I63 PolarHBondContact O-N 3.3Å; E61-N64 CarbonylContact O-C 3.51Å; E61-N64 WeakPolarHBondContact O-CB 3.25Å; E61-N64 PolarHBondContact O-N 2.94Å; E61-N64 VanDerWaalsContact O-N 3.08Å; E61-T65 WeakPolarHBondContact O-CG2 3.47Å; E61-T65 PolarHBondContact O-N 2.87Å; E61-T65 PolarHBondContact O-OG1 2.65Å; E61-I74 HydrophobicContact CG-CD1 3.78Å
62L95.3Very high94.1Very high0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-54.2-48.9175.2174.868000111.6W36 I37 V40 T41 I58 L59 N64 T65 L66 F90 L123 L126W36-L62 HydrophobicContact CH2-CD1 3.94Å; W36-L62 HydrophobicContact CH2-CD2 4.26Å; W36-L62 HydrophobicContact CH2-CG 4.48Å; W36-L62 HydrophobicContact CZ3-CD1 3.98Å; W36-L62 HydrophobicContact CZ3-CD2 3.9Å; W36-L62 HydrophobicContact CZ3-CG 4.48Å; I37-L62 HydrophobicContact CD1-CD2 4.37Å; I37-L62 HydrophobicContact CG1-CD2 4.13Å; I37-L62 HydrophobicContact CG2-CD1 4.49Å; V40-L62 HydrophobicContact CB-CD1 3.88Å; V40-L62 HydrophobicContact CG1-CD1 3.52Å; T41-L62 HydrophobicContact CG2-CB 3.88Å; T41-L62 HydrophobicContact CG2-CD1 4.09Å; I58-L62 VanDerWaalsContact O-CB 3.29Å; I58-L62 WeakPolarHBondContact O-CB 3.4Å; I58-L62 PolarHBondContact O-N 3.17Å; L59-L62 WeakPolarHBondContact O-CB 3.39Å; L59-L62 PolarHBondContact O-N 3.39Å; L62-N64 VanDerWaalsContact C-N 3.3Å; L62-N64 PolarHBondContact O-N 3.49Å; L62-T65 PolarHBondContact O-N 3.22Å; L62-T65 PolarHBondContact O-OG1 3.34Å; L62-L66 HydrophobicContact CD1-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 VanDerWaalsContact O-CG 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.38Å; L62-L66 VanDerWaalsContact O-N 3.09Å; L62-F90 HydrophobicContact CD2-CE2 4.47Å; L62-L123 HydrophobicContact CD2-CD2 4.44Å; L62-L126 HydrophobicContact CD2-CD2 4.25Å
63I96.1Very high94.1Very high0 Ų045.7 Ų45.70%024%0.24CC..Hα-helixtrans-71.7-28.1179.3-165.252000112.4L59 C60 E61 L66 Q67 V71 F90 A93 I94 Y97L59-I63 PolarHBondContact O-N 2.92Å; L59-I63 VanDerWaalsContact O-N 3.13Å; C60-I63 VanDerWaalsContact O-CG2 3.31Å; C60-I63 WeakPolarHBondContact O-CG2 3.33Å; E61-I63 VanDerWaalsContact C-N 3.34Å; E61-I63 PolarHBondContact O-N 3.3Å; I63-L66 HydrophobicContact CD1-CB 4.35Å; I63-Q67 CarbonylContact O-C 3.4Å; I63-Q67 PolarHBondContact O-N 3.34Å; I63-V71 HydrophobicContact CG2-CG2 3.76Å; I63-F90 HydrophobicContact CB-CD2 3.97Å; I63-F90 HydrophobicContact CB-CE2 4.03Å; I63-F90 HydrophobicContact CG2-CD2 3.91Å; I63-F90 HydrophobicContact CG2-CE2 4.46Å; I63-A93 HydrophobicContact CB-CB 4.41Å; I63-A93 HydrophobicContact CG1-CB 3.73Å; I63-A93 HydrophobicContact CG2-CB 3.89Å; I63-I94 HydrophobicContact CB-CG2 4.49Å; I63-I94 HydrophobicContact CD1-CG2 3.93Å; I63-I94 HydrophobicContact CG1-CG2 4.07Å; I63-Y97 HydrophobicContact CD1-CD2 3.96Å; I63-Y97 HydrophobicContact CD1-CG 4.03Å
64N95.6Very high94.2Very high38 Ų3847.8 Ų47.820%0.20325%0.251CS..Hα-helixtrans-72.3-29.6174.7-84.3-19.3000113.2C60 E61 L62 Q67 P68 S70 V71C60-N64 WeakPolarHBondContact O-CB 3.38Å; C60-N64 PolarHBondContact O-N 3.35Å; C60-N64 VanDerWaalsContact O-N 3.15Å; C60-N64 PolarHBondContact O-ND2 2.92Å; E61-N64 CarbonylContact O-C 3.51Å; E61-N64 WeakPolarHBondContact O-CB 3.25Å; E61-N64 PolarHBondContact O-N 2.94Å; E61-N64 VanDerWaalsContact O-N 3.08Å; L62-N64 VanDerWaalsContact C-N 3.3Å; L62-N64 PolarHBondContact O-N 3.49Å; N64-Q67 CarbonylContact O-C 3.33Å; N64-P68 VanDerWaalsContact O-CA 3.28Å; N64-P68 WeakPolarHBondContact O-CA 3.27Å; N64-S70 PolarHBondContact OD1-N 3.36Å; N64-S70 VanDerWaalsContact OD1-N 3.13Å; N64-V71 PolarHBondContact ND2-O 3.33Å; N64-V71 PolarHBondContact OD1-N 3.45Å; N64-V71 PolarHBondContact OD1-O 3.27Å
65T94.4Very high94.2Very high63 Ų6347.2 Ų47.239%0.38725%0.249SC..Hα-helixtrans-75.6-37.5172.155.40000111.4V40 E61 L62V40-T65 VanDerWaalsContact CG1-OG1 3.3Å; V40-T65 WeakPolarHBondContact CG1-OG1 3.35Å; E61-T65 WeakPolarHBondContact O-CG2 3.47Å; E61-T65 PolarHBondContact O-N 2.87Å; E61-T65 PolarHBondContact O-OG1 2.65Å; L62-T65 PolarHBondContact O-N 3.22Å; L62-T65 PolarHBondContact O-OG1 3.34Å
66L92.9Very high94.2Very high17 Ų1750.3 Ų50.39%0.08927%0.27CS..Hα-helixtrans-71.1-39175.7-67.2178.1000113.3W36 V40 L62 I63 Y97 L126 A130 F135W36-L66 HydrophobicContact CH2-CD1 4.14Å; W36-L66 HydrophobicContact CZ2-CD1 4.42Å; V40-L66 HydrophobicContact CG1-CD2 4.04Å; V40-L66 HydrophobicContact CG1-CG 4.31Å; L62-L66 HydrophobicContact CD1-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 VanDerWaalsContact O-CG 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.38Å; L62-L66 VanDerWaalsContact O-N 3.09Å; I63-L66 HydrophobicContact CD1-CB 4.35Å; L66-Y97 HydrophobicContact CB-CE2 4.23Å; L66-L126 HydrophobicContact CD1-CD1 4.49Å; L66-L126 HydrophobicContact CD1-CD2 4.4Å; L66-L126 HydrophobicContact CD1-CG 4.34Å; L66-A130 HydrophobicContact CD1-CB 4.25Å; L66-A130 HydrophobicContact CD2-CB 3.9Å; L66-F135 HydrophobicContact CD2-CB 4.47Å; L66-F135 HydrophobicContact CD2-CD1 3.9Å; L66-F135 HydrophobicContact CD2-CD2 3.82Å; L66-F135 HydrophobicContact CD2-CE1 4.09Å; L66-F135 HydrophobicContact CD2-CE2 3.98Å; L66-F135 HydrophobicContact CD2-CG 3.77Å; L66-F135 HydrophobicContact CD2-CZ 4.11Å
67Q92.7Very high94.1Very high68 Ų6852 Ų5232%0.31828%0.282SS..SBendtrans-141.4102.7175.8178.3172.9-31.200109.1I63 N64 G69 S70 Y97I63-Q67 CarbonylContact O-C 3.4Å; I63-Q67 PolarHBondContact O-N 3.34Å; N64-Q67 CarbonylContact O-C 3.33Å; Q67-G69 PolarHBondContact O-N 3.27Å; Q67-S70 VanDerWaalsContact CB-OG 3.31Å; Q67-S70 WeakPolarHBondContact CB-OG 3.5Å; Q67-S70 WeakPolarHBondContact CG-OG 3.49Å; Q67-S70 WeakPolarHBondContact O-CB 3.4Å; Q67-S70 PolarHBondContact O-N 3.13Å; Q67-S70 PolarHBondContact O-OG 3.08Å; Q67-Y97 HydrophobicContact CB-CD2 3.84Å; Q67-Y97 HydrophobicContact CB-CE2 3.85Å
68P93.8Very high93.8Very high115 Ų11556.7 Ų56.775%0.74731%0.313SS*.THydrogen-bonded Turntrans-54.7134.7179.9-2835.5000112.6N64N64-P68 VanDerWaalsContact O-CA 3.28Å; N64-P68 WeakPolarHBondContact O-CA 3.27Å
69G92.2Very high93.7Very high62 Ų6260.6 Ų60.664%0.63933%0.331SS*.THydrogen-bonded Turntrans81.19.2177.400000115.5Q67Q67-G69 PolarHBondContact O-N 3.27Å
70S93.8Very high93.5Very high33 Ų3364.8 Ų64.823%0.23135%0.353CS..SBendtrans-63-41177.6-65.60000113.3N64 Q67N64-S70 PolarHBondContact OD1-N 3.36Å; N64-S70 VanDerWaalsContact OD1-N 3.13Å; Q67-S70 VanDerWaalsContact CB-OG 3.31Å; Q67-S70 WeakPolarHBondContact CB-OG 3.5Å; Q67-S70 WeakPolarHBondContact CG-OG 3.49Å; Q67-S70 WeakPolarHBondContact O-CB 3.4Å; Q67-S70 PolarHBondContact O-N 3.13Å; Q67-S70 PolarHBondContact O-OG 3.08Å
71V94.9Very high93.4Very high10 Ų1071.6 Ų71.66%0.06138%0.379CS..SBendtrans-120.1114.6175.2-179.90000108.9C60 I63 N64 K73 I74 N89 A93C60-V71 HydrophobicContact CB-CB 4.34Å; C60-V71 HydrophobicContact CB-CG1 4.14Å; C60-V71 HydrophobicContact CB-CG2 4.28Å; I63-V71 HydrophobicContact CG2-CG2 3.76Å; N64-V71 PolarHBondContact ND2-O 3.33Å; N64-V71 PolarHBondContact OD1-N 3.45Å; N64-V71 PolarHBondContact OD1-O 3.27Å; V71-K73 WeakPolarHBondContact CG1-O 3.49Å; V71-I74 HydrophobicContact CG1-CG1 4.05Å; V71-N89 HydrophobicContact CG1-CB 4.09Å; V71-N89 HydrophobicContact CG2-CB 4.27Å; V71-A93 HydrophobicContact CG2-CB 4.02Å
72R90.7Very high93.4Very high248 Ų24870.5 Ų70.594%0.93637%0.374SS*.SBendtrans-72.7-38.9-174-62.3179.174.3-175.94.7113.6
73K92.9Very high93.3Very high146 Ų14672.5 Ų72.564%0.63538%0.383SS*.  trans-137.9129-176.6-175.5-176175.7-167.40109V71 N75V71-K73 WeakPolarHBondContact CG1-O 3.49Å; K73-N75 WeakPolarHBondContact CE-OD1 3.46Å
74I95.1Very high93.2Very high44 Ų4474.9 Ų74.923%0.22640%0.396CS..  trans-110.2126176.3-53.1178000107.3V57 C60 E61 V71V57-I74 HydrophobicContact CB-CG2 4.27Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å; V57-I74 HydrophobicContact CG2-CG2 4.1Å; C60-I74 HydrophobicContact CB-CD1 3.58Å; C60-I74 HydrophobicContact CB-CG1 3.71Å; C60-I74 HydrophobicContact CB-CG2 4.15Å; E61-I74 HydrophobicContact CG-CD1 3.78Å; V71-I74 HydrophobicContact CG1-CG1 4.05Å
75N93.8Very high93.3Very high13 Ų1376.9 Ų76.97%0.0740%0.403CS..  trans-89.9126.4-179.6-59.3-51.2000109.6K73 H82 E85 N86K73-N75 WeakPolarHBondContact CE-OD1 3.46Å; N75-H82 HydrophobicContact CB-CB 3.76Å; N75-H82 PolarHBondContact ND2-CD2 3.13Å; N75-E85 PolarHBondContact ND2-OE2 2.81Å; N75-N86 PolarHBondContact N-OD1 3.15Å; N75-N86 PolarHBondContact O-ND2 3.39Å
76T92.2Very high93.4Very high120 Ų12073.9 Ų73.974%0.73639%0.385SS*.  trans-104.62.9-178.652.60000113.7
77S90.6Very high93.5Very high35 Ų3573.1 Ų73.125%0.24538%0.381CS..SBendtrans-70.7153.7-178.794.40000111.2Q79 H82S77-Q79 PolarHBondContact O-N 2.67Å; S77-Q79 VanDerWaalsContact O-N 3.11Å; S77-Q79 PolarHBondContact OG-N 2.65Å; S77-H82 PolarHBondContact OG-CE1 2.94Å; S77-H82 PolarHBondContact OG-ND1 3.23Å
78P89.9Confident93.7Very high113 Ų11371 Ų7173%0.73438%0.377SS*.SBendtrans-74.96.5176.132.7-37.1000114.4
79Q92.2Very high93.8Very high98 Ų9866.7 Ų66.746%0.45835%0.348SS..  trans-75.2131.3-177.9-60-174.9-5200111.5S77 W81 H82 Q83S77-Q79 PolarHBondContact O-N 2.67Å; S77-Q79 VanDerWaalsContact O-N 3.11Å; S77-Q79 PolarHBondContact OG-N 2.65Å; Q79-W81 VanDerWaalsContact C-N 3.27Å; Q79-W81 PolarHBondContact O-N 2.89Å; Q79-W81 VanDerWaalsContact O-N 3.16Å; Q79-H82 WeakPolarHBondContact O-CB 3.43Å; Q79-H82 PolarHBondContact O-N 3.24Å; Q79-H82 PolarHBondContact OE1-CE1 3.06Å; Q79-H82 PolarHBondContact OE1-ND1 3.43Å; Q79-H82 VanDerWaalsContact OE1-ND1 3.13Å; Q79-Q83 PolarHBondContact O-N 3.43Å
80N93.4Very high94Very high88 Ų8863.8 Ų63.847%0.47132%0.318SS..Hα-helixtrans-51.7-42.1-177.6-64.37.3000113.9H82 Q83 L84 F111N80-H82 VanDerWaalsContact C-N 3.31Å; N80-H82 PolarHBondContact O-N 3.19Å; N80-Q83 PolarHBondContact O-N 3.32Å; N80-L84 PolarHBondContact O-N 3.15Å; N80-F111 HydrophobicContact CB-CE2 4.32Å; N80-F111 HydrophobicContact CB-CZ 3.72Å
81W93.7Very high94.2Very high144 Ų14463.3 Ų63.355%0.54531%0.314SS..Hα-helixtrans-67.4-32.3-178.371.5-92000112.4Q79 E85Q79-W81 VanDerWaalsContact C-N 3.27Å; Q79-W81 PolarHBondContact O-N 2.89Å; Q79-W81 VanDerWaalsContact O-N 3.16Å; W81-E85 WeakPolarHBondContact CZ3-OE2 3.34Å; W81-E85 VanDerWaalsContact O-CB 3.31Å; W81-E85 WeakPolarHBondContact O-CB 3.31Å; W81-E85 PolarHBondContact O-N 3.45Å
82H94.6Very high94.2Very high26 Ų2670.4 Ų70.412%0.1234%0.34CS..Hα-helixtrans-69.6-37.1174.6-78.4140.8000111.7N75 S77 Q79 N80 E85 N86N75-H82 HydrophobicContact CB-CB 3.76Å; N75-H82 PolarHBondContact ND2-CD2 3.13Å; S77-H82 PolarHBondContact OG-CE1 2.94Å; S77-H82 PolarHBondContact OG-ND1 3.23Å; Q79-H82 WeakPolarHBondContact O-CB 3.43Å; Q79-H82 PolarHBondContact O-N 3.24Å; Q79-H82 PolarHBondContact OE1-CE1 3.06Å; Q79-H82 PolarHBondContact OE1-ND1 3.43Å; Q79-H82 VanDerWaalsContact OE1-ND1 3.13Å; N80-H82 VanDerWaalsContact C-N 3.31Å; N80-H82 PolarHBondContact O-N 3.19Å; H82-E85 IonicContact CD2-OE2 2.64Å; H82-E85 PolarHBondContact O-N 3.32Å; H82-N86 VanDerWaalsContact O-CG 3.25Å; H82-N86 PolarHBondContact O-N 3.47Å; H82-N86 PolarHBondContact O-ND2 3.33Å
83Q94.2Very high94.5Very high41 Ų4159 Ų5919%0.19230%0.298CS..Hα-helixtrans-65.2-47.6175.3-62-177.3-10.600110.9D55 Q79 N80 E85 N86 I87 F111D55-Q83 HydrophobicContact CB-CG 4.31Å; Q79-Q83 PolarHBondContact O-N 3.43Å; N80-Q83 PolarHBondContact O-N 3.32Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.06Å; Q83-N86 PolarHBondContact O-N 2.9Å; Q83-I87 WeakPolarHBondContact O-CG1 3.38Å; Q83-I87 PolarHBondContact O-N 3.06Å; Q83-F111 HydrophobicContact CB-CD2 4.34Å; Q83-F111 HydrophobicContact CB-CE2 4.18Å
84L94.6Very high94.6Very high51 Ų5152.1 Ų52.127%0.26727%0.268SS..Hα-helixtrans-59.6-40.3173.8-75.8169.9000112.3N80 I87 G88 A107 F111N80-L84 PolarHBondContact O-N 3.15Å; L84-I87 PolarHBondContact O-N 3.42Å; L84-G88 PolarHBondContact O-N 3.01Å; L84-A107 HydrophobicContact CD2-CB 4Å; L84-F111 HydrophobicContact CD1-CD1 4.34Å; L84-F111 HydrophobicContact CD1-CE1 4.37Å; L84-F111 HydrophobicContact CD2-CB 3.66Å; L84-F111 HydrophobicContact CD2-CD1 3.84Å; L84-F111 HydrophobicContact CD2-CD2 4.25Å; L84-F111 HydrophobicContact CD2-CG 3.65Å; L84-F111 HydrophobicContact CG-CD1 4.14Å; L84-F111 HydrophobicContact CG-CD2 4.24Å; L84-F111 HydrophobicContact CG-CE1 4.45Å; L84-F111 HydrophobicContact CG-CG 4.04Å
85E95.9Very high94.7Very high79 Ų7952.7 Ų52.737%0.36927%0.274SS..Hα-helixtrans-63.7-43.1176.8-172.9179.6-162.400111.9N75 W81 H82 Q83 G88 N89N75-E85 PolarHBondContact ND2-OE2 2.81Å; W81-E85 WeakPolarHBondContact CZ3-OE2 3.34Å; W81-E85 VanDerWaalsContact O-CB 3.31Å; W81-E85 WeakPolarHBondContact O-CB 3.31Å; W81-E85 PolarHBondContact O-N 3.45Å; H82-E85 IonicContact CD2-OE2 2.64Å; H82-E85 PolarHBondContact O-N 3.32Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.06Å; E85-G88 PolarHBondContact O-N 3.42Å; E85-N89 WeakPolarHBondContact O-CB 3.4Å; E85-N89 PolarHBondContact O-N 3.2Å; E85-N89 PolarHBondContact O-ND2 3.21Å
86N96.4Very high94.7Very high1 Ų157.5 Ų57.51%0.00530%0.304CS..Hα-helixtrans-60.8-46.8175.4-70-21000111.5D55 C60 N75 H82 Q83 G88 N89 F90D55-N86 WeakPolarHBondContact O-CB 3.26Å; D55-N86 PolarHBondContact O-ND2 3.1Å; C60-N86 PolarHBondContact SG-O 2.95Å; N75-N86 PolarHBondContact N-OD1 3.15Å; N75-N86 PolarHBondContact O-ND2 3.39Å; H82-N86 VanDerWaalsContact O-CG 3.25Å; H82-N86 PolarHBondContact O-N 3.47Å; H82-N86 PolarHBondContact O-ND2 3.33Å; Q83-N86 PolarHBondContact O-N 2.9Å; N86-G88 VanDerWaalsContact C-N 3.33Å; N86-G88 PolarHBondContact O-N 3.22Å; N86-N89 WeakPolarHBondContact O-CB 3.47Å; N86-N89 PolarHBondContact O-N 3.42Å; N86-F90 PolarHBondContact O-N 2.89Å
87I96.3Very high94.8Very high0 Ų052.2 Ų52.20%027%0.27CS..Hα-helixtrans-61.7-44177.6-60.9165.2000110.3K54 Q83 L84 N89 F90 V91 F105 A107 L110 F111K54-I87 WeakPolarHBondContact O-CD1 3.34Å; Q83-I87 WeakPolarHBondContact O-CG1 3.38Å; Q83-I87 PolarHBondContact O-N 3.06Å; L84-I87 PolarHBondContact O-N 3.42Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 2.96Å; I87-F90 WeakPolarHBondContact O-CB 3.37Å; I87-F90 PolarHBondContact O-N 2.86Å; I87-V91 HydrophobicContact CG2-CG2 4.49Å; I87-V91 WeakPolarHBondContact O-CG2 3.28Å; I87-V91 PolarHBondContact O-N 2.63Å; I87-F105 HydrophobicContact CG2-CE2 3.53Å; I87-F105 HydrophobicContact CG2-CZ 3.86Å; I87-A107 HydrophobicContact CB-CB 4.2Å; I87-A107 HydrophobicContact CG2-CB 3.92Å; I87-L110 HydrophobicContact CD1-CB 4.4Å; I87-L110 HydrophobicContact CD1-CD2 4.17Å; I87-L110 HydrophobicContact CD1-CG 4.37Å; I87-L110 HydrophobicContact CG1-CD2 4.34Å; I87-F111 HydrophobicContact CD1-CB 4.2Å
88G95.9Very high94.8Very high23 Ų2352.8 Ų52.824%0.23728%0.281CS..Hα-helixtrans-62.4-37.4175.500000113.3L84 E85 N86 V91 R92L84-G88 PolarHBondContact O-N 3.01Å; E85-G88 PolarHBondContact O-N 3.42Å; N86-G88 VanDerWaalsContact C-N 3.33Å; N86-G88 PolarHBondContact O-N 3.22Å; G88-V91 PolarHBondContact O-N 3.09Å; G88-R92 WeakPolarHBondContact O-CG 3.4Å; G88-R92 PolarHBondContact O-N 3.43Å
89N96.6Very high95Very high26 Ų2647.7 Ų47.714%0.13925%0.248CC..Hα-helixtrans-63.1-43.6173.6-73.3-22.6000111.5V71 E85 N86 I87 R92 A93V71-N89 HydrophobicContact CG1-CB 4.09Å; V71-N89 HydrophobicContact CG2-CB 4.27Å; E85-N89 WeakPolarHBondContact O-CB 3.4Å; E85-N89 PolarHBondContact O-N 3.2Å; E85-N89 PolarHBondContact O-ND2 3.21Å; N86-N89 WeakPolarHBondContact O-CB 3.47Å; N86-N89 PolarHBondContact O-N 3.42Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 2.96Å; N89-R92 PolarHBondContact O-N 3.25Å; N89-R92 PolarHBondContact OD1-NH2 3.44Å; N89-A93 WeakPolarHBondContact O-CB 3.27Å; N89-A93 PolarHBondContact O-N 3.11Å
90F97.1Very high95Very high0 Ų048.3 Ų48.30%025%0.249CC..Hα-helixtrans-60.5-49.8174.5173.8-109.2000112.1L59 L62 I63 N86 I87 R92 A93 I94 F105 L123 L126L59-F90 HydrophobicContact CB-CB 4.09Å; L59-F90 HydrophobicContact CB-CD1 3.97Å; L59-F90 HydrophobicContact CB-CD2 3.79Å; L59-F90 HydrophobicContact CB-CE1 4.29Å; L59-F90 HydrophobicContact CB-CE2 4.13Å; L59-F90 HydrophobicContact CB-CG 3.69Å; L59-F90 HydrophobicContact CB-CZ 4.36Å; L59-F90 HydrophobicContact CD1-CD1 4.01Å; L59-F90 HydrophobicContact CD1-CE1 4.25Å; L59-F90 HydrophobicContact CD1-CG 4.49Å; L59-F90 HydrophobicContact CD2-CD1 4.5Å; L59-F90 HydrophobicContact CD2-CE1 4.06Å; L59-F90 HydrophobicContact CD2-CZ 4.07Å; L59-F90 HydrophobicContact CG-CD1 4.4Å; L59-F90 HydrophobicContact CG-CE1 4.45Å; L59-F90 WeakPolarHBondContact O-CD2 3.26Å; L59-F90 VanDerWaalsContact O-CE2 3.31Å; L59-F90 WeakPolarHBondContact O-CE2 3.31Å; L62-F90 HydrophobicContact CD2-CE2 4.47Å; I63-F90 HydrophobicContact CB-CD2 3.97Å; I63-F90 HydrophobicContact CB-CE2 4.03Å; I63-F90 HydrophobicContact CG2-CD2 3.91Å; I63-F90 HydrophobicContact CG2-CE2 4.46Å; N86-F90 PolarHBondContact O-N 2.89Å; I87-F90 WeakPolarHBondContact O-CB 3.37Å; I87-F90 PolarHBondContact O-N 2.86Å; F90-R92 VanDerWaalsContact C-N 3.29Å; F90-R92 PolarHBondContact O-N 3.49Å; F90-A93 WeakPolarHBondContact O-CB 3.24Å; F90-A93 PolarHBondContact O-N 3.34Å; F90-I94 HydrophobicContact CD1-CD1 4.26Å; F90-I94 HydrophobicContact CD2-CG2 3.86Å; F90-I94 HydrophobicContact CE1-CD1 3.86Å; F90-I94 HydrophobicContact CE1-CG2 4.15Å; F90-I94 HydrophobicContact CE2-CG2 3.44Å; F90-I94 VanDerWaalsContact CE2-CG2 3.44Å; F90-I94 HydrophobicContact CG-CG2 4.41Å; F90-I94 HydrophobicContact CZ-CD1 4.24Å; F90-I94 HydrophobicContact CZ-CG2 3.61Å; F90-I94 WeakPolarHBondContact O-CG1 3.36Å; F90-I94 WeakPolarHBondContact O-CG2 3.36Å; F90-I94 PolarHBondContact O-N 3.37Å; F90-F105 HydrophobicContact CD1-CE1 4.06Å; F90-F105 HydrophobicContact CD1-CZ 4.05Å; F90-F105 AromaticContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CZ 4.2Å; F90-L123 HydrophobicContact CE1-CD2 4.26Å; F90-L123 HydrophobicContact CZ-CD2 3.96Å; F90-L126 HydrophobicContact CE2-CD2 4.14Å; F90-L126 HydrophobicContact CZ-CD2 3.8Å
91V96.6Very high94.9Very high24 Ų2449 Ų4915%0.14526%0.259CS..Hα-helixtrans-58.8-41.1179.6173.80000111.5I87 G88 I94 T95 L104 F105I87-V91 HydrophobicContact CG2-CG2 4.49Å; I87-V91 WeakPolarHBondContact O-CG2 3.28Å; I87-V91 PolarHBondContact O-N 2.63Å; G88-V91 PolarHBondContact O-N 3.09Å; V91-I94 VanDerWaalsContact O-CG1 3.27Å; V91-I94 WeakPolarHBondContact O-CG1 3.24Å; V91-T95 PolarHBondContact O-N 3.13Å; V91-T95 VanDerWaalsContact O-N 3.15Å; V91-T95 PolarHBondContact O-OG1 3.38Å; V91-L104 HydrophobicContact CG1-CB 4.5Å; V91-L104 HydrophobicContact CG1-CD1 4.39Å; V91-L104 HydrophobicContact CG1-CD2 4.45Å; V91-F105 HydrophobicContact CG2-CD1 4.44Å; V91-F105 HydrophobicContact CG2-CE1 4.07Å; V91-F105 HydrophobicContact CG2-CE2 4.31Å; V91-F105 HydrophobicContact CG2-CZ 4Å
92R95.9Very high94.8Very high159 Ų15949.3 Ų49.360%0.626%0.261SS*.Hα-helixtrans-63.9-44.4173.8-72.7-172.4-71.1-167.3-1.6112.1G88 N89 F90 T95 V96G88-R92 WeakPolarHBondContact O-CG 3.4Å; G88-R92 PolarHBondContact O-N 3.43Å; N89-R92 PolarHBondContact O-N 3.25Å; N89-R92 PolarHBondContact OD1-NH2 3.44Å; F90-R92 VanDerWaalsContact C-N 3.29Å; F90-R92 PolarHBondContact O-N 3.49Å; R92-T95 WeakPolarHBondContact O-CB 3.37Å; R92-T95 PolarHBondContact O-N 3.32Å; R92-V96 PolarHBondContact O-N 2.98Å; R92-V96 VanDerWaalsContact O-N 3.15Å
93A96.4Very high94.7Very high8 Ų849.7 Ų49.77%0.06626%0.264CS..Hα-helixtrans-62.6-45-179.700000112.4I63 V71 N89 F90 T95 V96 Y97I63-A93 HydrophobicContact CB-CB 4.41Å; I63-A93 HydrophobicContact CG1-CB 3.73Å; I63-A93 HydrophobicContact CG2-CB 3.89Å; V71-A93 HydrophobicContact CG2-CB 4.02Å; N89-A93 WeakPolarHBondContact O-CB 3.27Å; N89-A93 PolarHBondContact O-N 3.11Å; F90-A93 WeakPolarHBondContact O-CB 3.24Å; F90-A93 PolarHBondContact O-N 3.34Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 3.49Å; A93-V96 PolarHBondContact O-N 2.94Å; A93-Y97 PolarHBondContact O-N 3.33Å
94I96.1Very high94.7Very high1 Ų149.3 Ų49.31%0.00526%0.263CS..Hα-helixtrans-70-28.4178.967.8-179.4000112.4I63 F90 V91 Y97 G98 M99 L104 L126I63-I94 HydrophobicContact CB-CG2 4.49Å; I63-I94 HydrophobicContact CD1-CG2 3.93Å; I63-I94 HydrophobicContact CG1-CG2 4.07Å; F90-I94 HydrophobicContact CD1-CD1 4.26Å; F90-I94 HydrophobicContact CD2-CG2 3.86Å; F90-I94 HydrophobicContact CE1-CD1 3.86Å; F90-I94 HydrophobicContact CE1-CG2 4.15Å; F90-I94 HydrophobicContact CE2-CG2 3.44Å; F90-I94 VanDerWaalsContact CE2-CG2 3.44Å; F90-I94 HydrophobicContact CG-CG2 4.41Å; F90-I94 HydrophobicContact CZ-CD1 4.24Å; F90-I94 HydrophobicContact CZ-CG2 3.61Å; F90-I94 WeakPolarHBondContact O-CG1 3.36Å; F90-I94 WeakPolarHBondContact O-CG2 3.36Å; F90-I94 PolarHBondContact O-N 3.37Å; V91-I94 VanDerWaalsContact O-CG1 3.27Å; V91-I94 WeakPolarHBondContact O-CG1 3.24Å; I94-Y97 WeakPolarHBondContact O-CB 3.07Å; I94-Y97 PolarHBondContact O-N 3.12Å; I94-G98 PolarHBondContact O-N 3.39Å; I94-M99 HydrophobicContact CB-CG 3.89Å; I94-M99 HydrophobicContact CD1-CE 4.19Å; I94-M99 HydrophobicContact CD1-CG 4.41Å; I94-M99 HydrophobicContact CG1-CB 4.49Å; I94-M99 HydrophobicContact CG1-CG 4.14Å; I94-M99 VanDerWaalsContact O-CB 3.24Å; I94-M99 WeakPolarHBondContact O-CB 2.83Å; I94-M99 WeakPolarHBondContact O-CG 3.01Å; I94-M99 PolarHBondContact O-N 3.05Å; I94-L104 HydrophobicContact CD1-CD2 3.69Å; I94-L104 HydrophobicContact CG1-CD2 3.71Å; I94-L126 HydrophobicContact CB-CD1 4.25Å; I94-L126 HydrophobicContact CG2-CD1 3.98Å; I94-L126 HydrophobicContact CG2-CD2 3.93Å
95T95.4Very high94.8Very high57 Ų5747.1 Ų47.135%0.3525%0.251SS..Hα-helixtrans-62.2-46.8170.9-54.80000110.5V91 R92 A93 Y97 G98 L104V91-T95 PolarHBondContact O-N 3.13Å; V91-T95 VanDerWaalsContact O-N 3.15Å; V91-T95 PolarHBondContact O-OG1 3.38Å; R92-T95 WeakPolarHBondContact O-CB 3.37Å; R92-T95 PolarHBondContact O-N 3.32Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 3.49Å; T95-Y97 VanDerWaalsContact C-N 3.27Å; T95-Y97 PolarHBondContact O-N 3.48Å; T95-G98 PolarHBondContact O-N 2.82Å; T95-G98 VanDerWaalsContact O-N 3.09Å; T95-L104 HydrophobicContact CG2-CD1 4.45Å; T95-L104 VanDerWaalsContact OG1-CD1 3.24Å; T95-L104 WeakPolarHBondContact OG1-CD1 3.44Å
96V95Very high94.7Very high114 Ų11449.6 Ų49.669%0.69126%0.263SS*.Hα-helixtrans-65.8-32.5174.6176.40000111.5R92 A93 G98R92-V96 PolarHBondContact O-N 2.98Å; R92-V96 VanDerWaalsContact O-N 3.15Å; A93-V96 PolarHBondContact O-N 2.94Å; V96-G98 PolarHBondContact O-N 3.09Å
97Y94Very high94.5Very high8 Ų850.8 Ų50.83%0.03127%0.273CS..Hα-helixtrans-63.9-17.6174.2-164.2-103.8000112.7I63 L66 Q67 A93 I94 T95 L126 I129 A130 K133I63-Y97 HydrophobicContact CD1-CD2 3.96Å; I63-Y97 HydrophobicContact CD1-CG 4.03Å; L66-Y97 HydrophobicContact CB-CE2 4.23Å; Q67-Y97 HydrophobicContact CB-CD2 3.84Å; Q67-Y97 HydrophobicContact CB-CE2 3.85Å; A93-Y97 PolarHBondContact O-N 3.33Å; I94-Y97 WeakPolarHBondContact O-CB 3.07Å; I94-Y97 PolarHBondContact O-N 3.12Å; T95-Y97 VanDerWaalsContact C-N 3.27Å; T95-Y97 PolarHBondContact O-N 3.48Å; Y97-L126 HydrophobicContact CD1-CD1 3.81Å; Y97-L126 HydrophobicContact CE1-CD1 4.15Å; Y97-I129 HydrophobicContact CD1-CG2 3.83Å; Y97-I129 HydrophobicContact CE1-CB 4.43Å; Y97-I129 HydrophobicContact CE1-CG2 3.72Å; Y97-A130 HydrophobicContact CE1-CB 4.41Å; Y97-A130 WeakPolarHBondContact OH-CA 3.23Å; Y97-K133 HydrophobicContact CE1-CD 3.92Å; Y97-K133 HydrophobicContact CE2-CD 3.97Å; Y97-K133 VanDerWaalsContact O-CE 3.25Å; Y97-K133 WeakPolarHBondContact O-CE 3.47Å; Y97-K133 PolarHBondContact O-NZ 3.46Å
98G91.8Very high94.4Very high47 Ų4754.1 Ų54.149%0.48529%0.29SS..THydrogen-bonded Turntrans112.212.8176.300000114.4I94 T95 V96I94-G98 PolarHBondContact O-N 3.39Å; T95-G98 PolarHBondContact O-N 2.82Å; T95-G98 VanDerWaalsContact O-N 3.09Å; V96-G98 PolarHBondContact O-N 3.09Å
99M93.3Very high94.2Very high6 Ų653.9 Ų53.93%0.0328%0.284CS..  trans-62143165.4-73.2-83.8-73.500110.1I94 D103 L104 T122 T125 L126 I129I94-M99 HydrophobicContact CB-CG 3.89Å; I94-M99 HydrophobicContact CD1-CE 4.19Å; I94-M99 HydrophobicContact CD1-CG 4.41Å; I94-M99 HydrophobicContact CG1-CB 4.49Å; I94-M99 HydrophobicContact CG1-CG 4.14Å; I94-M99 VanDerWaalsContact O-CB 3.24Å; I94-M99 WeakPolarHBondContact O-CB 2.83Å; I94-M99 WeakPolarHBondContact O-CG 3.01Å; I94-M99 PolarHBondContact O-N 3.05Å; M99-D103 HydrophobicContact CE-CB 4.11Å; M99-D103 WeakPolarHBondContact CE-O 3.32Å; M99-L104 HydrophobicContact CB-CD2 3.77Å; M99-L104 HydrophobicContact CE-CD2 4.06Å; M99-L104 HydrophobicContact CG-CD2 4.42Å; M99-T122 WeakPolarHBondContact CE-O 3.45Å; M99-T125 HydrophobicContact SD-CG2 3.8Å; M99-L126 HydrophobicContact CG-CD1 4.38Å; M99-L126 HydrophobicContact SD-CB 4.17Å; M99-I129 HydrophobicContact CG-CD1 4.04Å; M99-I129 HydrophobicContact SD-CD1 3.68Å
100K92.1Very high94.1Very high111 Ų11152.7 Ų52.748%0.48328%0.277SS..  trans-85.1147.3177.3-62179.9-179.2175.20109.9Y102 D103K100-Y102 HydrophobicContact CB-CD1 3.99Å; K100-Y102 HydrophobicContact CB-CD2 4.35Å; K100-Y102 HydrophobicContact CB-CE1 3.61Å; K100-Y102 HydrophobicContact CB-CE2 3.99Å; K100-Y102 HydrophobicContact CB-CG 4.38Å; K100-Y102 HydrophobicContact CD-CE1 3.61Å; K100-Y102 HydrophobicContact CD-CE2 3.97Å; K100-Y102 WeakPolarHBondContact CD-OH 3.28Å; K100-Y102 WeakPolarHBondContact CE-OH 3.45Å; K100-Y102 HydrophobicContact CG-CE1 4.23Å; K100-Y102 PolarHBondContact NZ-OH 2.76Å; K100-Y102 PolarHBondContact O-N 3.18Å; K100-Y102 VanDerWaalsContact O-N 3.09Å; K100-D103 PolarHBondContact O-N 2.79Å
101P91.2Very high93.9Very high104 Ų10454.4 Ų54.468%0.67529%0.285SS*.G310 helixtrans-57-31.9-174.1-27.535000114.9D103 L104P101-D103 VanDerWaalsContact C-N 3.3Å; P101-L104 PolarHBondContact O-N 2.49Å
102Y91.1Very high93.6Very high150 Ų15059 Ų5959%0.58831%0.305SS*.G310 helixtrans-77.4-14.9-18054.8-104.9000113.8K100K100-Y102 HydrophobicContact CB-CD1 3.99Å; K100-Y102 HydrophobicContact CB-CD2 4.35Å; K100-Y102 HydrophobicContact CB-CE1 3.61Å; K100-Y102 HydrophobicContact CB-CE2 3.99Å; K100-Y102 HydrophobicContact CB-CG 4.38Å; K100-Y102 HydrophobicContact CD-CE1 3.61Å; K100-Y102 HydrophobicContact CD-CE2 3.97Å; K100-Y102 WeakPolarHBondContact CD-OH 3.28Å; K100-Y102 WeakPolarHBondContact CE-OH 3.45Å; K100-Y102 HydrophobicContact CG-CE1 4.23Å; K100-Y102 PolarHBondContact NZ-OH 2.76Å; K100-Y102 PolarHBondContact O-N 3.18Å; K100-Y102 VanDerWaalsContact O-N 3.09Å
103D92.6Very high93.2Very high34 Ų3454.1 Ų54.118%0.18229%0.29CS..G310 helixtrans-97.410.3176.1-64.6-41.4000111.5M99 K100 P101 T122 T125M99-D103 HydrophobicContact CE-CB 4.11Å; M99-D103 WeakPolarHBondContact CE-O 3.32Å; K100-D103 PolarHBondContact O-N 2.79Å; P101-D103 VanDerWaalsContact C-N 3.3Å; D103-T122 VanDerWaalsContact O-CB 3.32Å; D103-T122 WeakPolarHBondContact O-CB 3.45Å; D103-T122 WeakPolarHBondContact O-CG2 3.45Å; D103-T125 HydrophobicContact CB-CG2 4.28Å
104L94.7Very high92.8Very high33 Ų3357.1 Ų57.117%0.17331%0.308CS..  trans-94.1154.3178.7-61.1173.5000111V91 I94 T95 M99 P101 Q118V91-L104 HydrophobicContact CG1-CB 4.5Å; V91-L104 HydrophobicContact CG1-CD1 4.39Å; V91-L104 HydrophobicContact CG1-CD2 4.45Å; I94-L104 HydrophobicContact CD1-CD2 3.69Å; I94-L104 HydrophobicContact CG1-CD2 3.71Å; T95-L104 HydrophobicContact CG2-CD1 4.45Å; T95-L104 VanDerWaalsContact OG1-CD1 3.24Å; T95-L104 WeakPolarHBondContact OG1-CD1 3.44Å; M99-L104 HydrophobicContact CB-CD2 3.77Å; M99-L104 HydrophobicContact CE-CD2 4.06Å; M99-L104 HydrophobicContact CG-CD2 4.42Å; P101-L104 PolarHBondContact O-N 2.49Å; L104-Q118 PolarHBondContact O-NE2 2.68Å
105F95.8Very high92.5Very high5 Ų558.5 Ų58.52%0.02232%0.316CS..  trans-108.2160.1168.871.4-81000109.5L59 I87 F90 V91 D109 L110 Q118 V119 T122L59-F105 HydrophobicContact CD1-CZ 4.32Å; I87-F105 HydrophobicContact CG2-CE2 3.53Å; I87-F105 HydrophobicContact CG2-CZ 3.86Å; F90-F105 HydrophobicContact CD1-CE1 4.06Å; F90-F105 HydrophobicContact CD1-CZ 4.05Å; F90-F105 AromaticContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CZ 4.2Å; V91-F105 HydrophobicContact CG2-CD1 4.44Å; V91-F105 HydrophobicContact CG2-CE1 4.07Å; V91-F105 HydrophobicContact CG2-CE2 4.31Å; V91-F105 HydrophobicContact CG2-CZ 4Å; F105-D109 HydrophobicContact CB-CB 4.34Å; F105-D109 HydrophobicContact CD2-CB 4.26Å; F105-L110 HydrophobicContact CD2-CB 4.38Å; F105-L110 HydrophobicContact CE2-CB 3.91Å; F105-L110 HydrophobicContact CE2-CD2 4.27Å; F105-L110 HydrophobicContact CZ-CD2 4.47Å; F105-Q118 HydrophobicContact CB-CB 4.3Å; F105-Q118 HydrophobicContact CB-CG 3.71Å; F105-V119 HydrophobicContact CB-CG2 4.21Å; F105-V119 HydrophobicContact CD2-CG2 3.71Å; F105-V119 HydrophobicContact CE2-CG2 4.2Å; F105-V119 HydrophobicContact CG-CG2 3.92Å; F105-T122 HydrophobicContact CB-CG2 3.9Å; F105-T122 HydrophobicContact CD1-CG2 3.75Å; F105-T122 VanDerWaalsContact CD1-OG1 3.23Å; F105-T122 WeakPolarHBondContact CD1-OG1 3.35Å; F105-T122 HydrophobicContact CG-CG2 4.31Å
106E93.8Very high92.3Very high131 Ų13158.4 Ų58.461%0.61231%0.309SS*.  trans-90.6151.6175.6-61.7-173.4174.400111.3N108 D109E106-N108 PolarHBondContact O-N 3.13Å; E106-D109 PolarHBondContact N-OD2 3.32Å; E106-D109 VanDerWaalsContact O-CB 3.28Å; E106-D109 WeakPolarHBondContact O-CB 3.46Å; E106-D109 PolarHBondContact O-N 3.26Å
107A93.3Very high92.2Very high26 Ų2653.9 Ų53.922%0.21528%0.282CS..Hα-helixtrans-56-32.8-178.800000113.4L84 I87 D109 F111L84-A107 HydrophobicContact CD2-CB 4Å; I87-A107 HydrophobicContact CB-CB 4.2Å; I87-A107 HydrophobicContact CG2-CB 3.92Å; A107-D109 VanDerWaalsContact C-N 3.33Å; A107-D109 PolarHBondContact O-N 3.4Å; A107-F111 VanDerWaalsContact O-CB 3.31Å; A107-F111 WeakPolarHBondContact O-CB 3.48Å; A107-F111 PolarHBondContact O-N 2.73Å; A107-F111 VanDerWaalsContact O-N 3.11Å
108N92.9Very high92.2Very high69 Ų6955.8 Ų55.837%0.36929%0.291SS..Hα-helixtrans-70.6-25.9177.3-62.9-31.2000113.2E106 L110 E112 T114E106-N108 PolarHBondContact O-N 3.13Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.09Å; N108-E112 WeakPolarHBondContact O-CB 3.47Å; N108-E112 PolarHBondContact O-N 3.15Å; N108-T114 PolarHBondContact O-OG1 3.3Å
109D93.1Very high92.3Very high19 Ų1953.6 Ų53.610%0.10227%0.268CS..Hα-helixtrans-60.5-39.6-179.9-70-31.4000111.7F105 E106 A107 T114 N115 V119F105-D109 HydrophobicContact CB-CB 4.34Å; F105-D109 HydrophobicContact CD2-CB 4.26Å; E106-D109 PolarHBondContact N-OD2 3.32Å; E106-D109 VanDerWaalsContact O-CB 3.28Å; E106-D109 WeakPolarHBondContact O-CB 3.46Å; E106-D109 PolarHBondContact O-N 3.26Å; A107-D109 VanDerWaalsContact C-N 3.33Å; A107-D109 PolarHBondContact O-N 3.4Å; D109-T114 PolarHBondContact O-N 2.94Å; D109-T114 VanDerWaalsContact O-N 3.15Å; D109-N115 HydrophobicContact CB-CB 4.05Å; D109-N115 PolarHBondContact O-N 3.44Å; D109-N115 WeakPolarHBondContact OD1-CB 3.3Å; D109-V119 HydrophobicContact CB-CG2 4.23Å
110L93.4Very high92.4Very high0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-87.2-44.8177.3-177.456.5000112.1M50 L53 K54 L59 I87 F105 N108 N113 Y116 V119M50-L110 HydrophobicContact SD-CD1 4.09Å; L53-L110 HydrophobicContact CB-CD1 4.38Å; L53-L110 HydrophobicContact CB-CD2 4.09Å; L53-L110 WeakPolarHBondContact O-CD2 3.38Å; K54-L110 WeakPolarHBondContact CE-O 3.48Å; K54-L110 HydrophobicContact CG-CD1 4.27Å; K54-L110 HydrophobicContact CG-CG 4.28Å; L59-L110 HydrophobicContact CD1-CD2 3.65Å; I87-L110 HydrophobicContact CD1-CB 4.4Å; I87-L110 HydrophobicContact CD1-CD2 4.17Å; I87-L110 HydrophobicContact CD1-CG 4.37Å; I87-L110 HydrophobicContact CG1-CD2 4.34Å; F105-L110 HydrophobicContact CD2-CB 4.38Å; F105-L110 HydrophobicContact CE2-CB 3.91Å; F105-L110 HydrophobicContact CE2-CD2 4.27Å; F105-L110 HydrophobicContact CZ-CD2 4.47Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.09Å; L110-N113 PolarHBondContact O-OD1 3.23Å; L110-Y116 HydrophobicContact CD1-CE1 4.36Å; L110-V119 HydrophobicContact CB-CG2 3.97Å; L110-V119 HydrophobicContact CD1-CG1 4.33Å; L110-V119 HydrophobicContact CD1-CG2 4.43Å
111F92.8Very high92.5Very high37 Ų3750.7 Ų50.716%0.16226%0.262CS..Hα-helixtrans-69.3-41.2-174-177-100.6000113.2N80 Q83 L84 I87 A107N80-F111 HydrophobicContact CB-CE2 4.32Å; N80-F111 HydrophobicContact CB-CZ 3.72Å; Q83-F111 HydrophobicContact CB-CD2 4.34Å; Q83-F111 HydrophobicContact CB-CE2 4.18Å; L84-F111 HydrophobicContact CD1-CD1 4.34Å; L84-F111 HydrophobicContact CD1-CE1 4.37Å; L84-F111 HydrophobicContact CD2-CB 3.66Å; L84-F111 HydrophobicContact CD2-CD1 3.84Å; L84-F111 HydrophobicContact CD2-CD2 4.25Å; L84-F111 HydrophobicContact CD2-CG 3.65Å; L84-F111 HydrophobicContact CG-CD1 4.14Å; L84-F111 HydrophobicContact CG-CD2 4.24Å; L84-F111 HydrophobicContact CG-CE1 4.45Å; L84-F111 HydrophobicContact CG-CG 4.04Å; I87-F111 HydrophobicContact CD1-CB 4.2Å; A107-F111 VanDerWaalsContact O-CB 3.31Å; A107-F111 WeakPolarHBondContact O-CB 3.48Å; A107-F111 PolarHBondContact O-N 2.73Å; A107-F111 VanDerWaalsContact O-N 3.11Å
112E90.6Very high92.7Very high120 Ų12045.8 Ų45.856%0.56123%0.23SC*.SBendtrans-98.60-178.4-58.6-163.7156.800113.9N108 T114N108-E112 WeakPolarHBondContact O-CB 3.47Å; N108-E112 PolarHBondContact O-N 3.15Å; E112-T114 VanDerWaalsContact C-N 3.29Å
113N88.6Confident92.9Very high56 Ų5638.7 Ų38.730%0.29920%0.202SC..  trans63.733.8-176.5-48.7-5.6000112.7K54 L110 Y116K54-N113 WeakPolarHBondContact CE-OD1 3.25Å; K54-N113 PolarHBondContact NZ-ND2 3.24Å; K54-N113 PolarHBondContact NZ-OD1 2.86Å; L110-N113 PolarHBondContact O-OD1 3.23Å; N113-Y116 HydrophobicContact CB-CE1 3.81Å; N113-Y116 HydrophobicContact CB-CE2 4.38Å; N113-Y116 VanDerWaalsContact CG-CZ 3.45Å; N113-Y116 PolarHBondContact ND2-OH 3.25Å; N113-Y116 PolarHBondContact OD1-OH 3.04Å
114T86.8Confident92.9Very high72 Ų7238.7 Ų38.744%0.44220%0.202SC..SBendtrans-73.7-42.4-177.1-48.60000110.7N108 D109 E112N108-T114 PolarHBondContact O-OG1 3.3Å; D109-T114 PolarHBondContact O-N 2.94Å; D109-T114 VanDerWaalsContact O-N 3.15Å; E112-T114 VanDerWaalsContact C-N 3.29Å
115N89.5Confident92.8Very high30 Ų3037.9 Ų37.916%0.1620%0.199CC..  trans-151.774.6-172.7-167.2-4000113.7D109 T117 Q118 V119D109-N115 HydrophobicContact CB-CB 4.05Å; D109-N115 PolarHBondContact O-N 3.44Å; D109-N115 WeakPolarHBondContact OD1-CB 3.3Å; N115-T117 PolarHBondContact O-N 3.08Å; N115-T117 PolarHBondContact OD1-N 2.96Å; N115-Q118 HydrophobicContact CB-CB 4.36Å; N115-Q118 WeakPolarHBondContact ND2-CB 3.5Å; N115-Q118 PolarHBondContact O-N 3.49Å; N115-Q118 PolarHBondContact OD1-N 3.38Å; N115-Q118 VanDerWaalsContact OD1-N 3.08Å; N115-V119 PolarHBondContact O-N 2.86Å
116Y92.3Very high92.7Very high55 Ų5537.7 Ų37.722%0.21620%0.198CC..Hα-helixtrans-61.2-28.4174.3-71.6-12.7000114M50 E51 K54 L110 N113 V119 Q120M50-Y116 HydrophobicContact CB-CD1 4.39Å; M50-Y116 HydrophobicContact CB-CD2 4.26Å; M50-Y116 HydrophobicContact CB-CE1 3.97Å; M50-Y116 HydrophobicContact CB-CE2 3.83Å; M50-Y116 HydrophobicContact CG-CD1 4.16Å; M50-Y116 HydrophobicContact CG-CD2 3.88Å; M50-Y116 HydrophobicContact CG-CE1 4.25Å; M50-Y116 HydrophobicContact CG-CE2 3.97Å; M50-Y116 HydrophobicContact CG-CG 3.96Å; M50-Y116 HydrophobicContact SD-CD1 4.28Å; M50-Y116 HydrophobicContact SD-CG 4.35Å; E51-Y116 PolarHBondContact OE1-OH 3.4Å; E51-Y116 VanDerWaalsContact OE1-OH 3.13Å; K54-Y116 WeakPolarHBondContact CE-OH 2.84Å; L110-Y116 HydrophobicContact CD1-CE1 4.36Å; N113-Y116 HydrophobicContact CB-CE1 3.81Å; N113-Y116 HydrophobicContact CB-CE2 4.38Å; N113-Y116 VanDerWaalsContact CG-CZ 3.45Å; N113-Y116 PolarHBondContact ND2-OH 3.25Å; N113-Y116 PolarHBondContact OD1-OH 3.04Å; Y116-V119 PolarHBondContact O-N 2.87Å; Y116-Q120 WeakPolarHBondContact O-CB 3.44Å; Y116-Q120 PolarHBondContact O-N 3.05Å
117T92.9Very high92.7Very high19 Ų1931.6 Ų31.612%0.11717%0.169CC..Hα-helixtrans-63.4-42.1177.5-50.80000111.7L21 K24 N115 Q120 S121L21-T117 WeakPolarHBondContact O-CG2 3.19Å; L21-T117 PolarHBondContact O-OG1 2.89Å; K24-T117 HydrophobicContact CB-CG2 3.67Å; N115-T117 PolarHBondContact O-N 3.08Å; N115-T117 PolarHBondContact OD1-N 2.96Å; T117-Q120 PolarHBondContact O-N 3.46Å; T117-S121 WeakPolarHBondContact O-CB 3.45Å; T117-S121 PolarHBondContact O-N 3.12Å
118Q93.3Very high92.6Very high48 Ų4830.4 Ų30.422%0.22416%0.16CC..Hα-helixtrans-64.3-46.2175.1-172.264.421.900110.4L104 F105 N115 Q120 S121 T122L104-Q118 PolarHBondContact O-NE2 2.68Å; F105-Q118 HydrophobicContact CB-CB 4.3Å; F105-Q118 HydrophobicContact CB-CG 3.71Å; N115-Q118 HydrophobicContact CB-CB 4.36Å; N115-Q118 WeakPolarHBondContact ND2-CB 3.5Å; N115-Q118 PolarHBondContact O-N 3.49Å; N115-Q118 PolarHBondContact OD1-N 3.38Å; N115-Q118 VanDerWaalsContact OD1-N 3.08Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 PolarHBondContact O-N 3.4Å; Q118-S121 PolarHBondContact O-N 3.03Å; Q118-S121 VanDerWaalsContact O-N 3.15Å; Q118-T122 HydrophobicContact CG-CG2 4.2Å; Q118-T122 WeakPolarHBondContact O-CG2 3.45Å; Q118-T122 PolarHBondContact O-N 3.26Å
119V94.9Very high92.5Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-54.4-49.5175.9-176.70000110.8M50 F105 D109 L110 N115 Y116 S121 T122 L123M50-V119 HydrophobicContact CE-CB 4.38Å; M50-V119 HydrophobicContact CE-CG1 4.38Å; M50-V119 HydrophobicContact SD-CG1 4.22Å; F105-V119 HydrophobicContact CB-CG2 4.21Å; F105-V119 HydrophobicContact CD2-CG2 3.71Å; F105-V119 HydrophobicContact CE2-CG2 4.2Å; F105-V119 HydrophobicContact CG-CG2 3.92Å; D109-V119 HydrophobicContact CB-CG2 4.23Å; L110-V119 HydrophobicContact CB-CG2 3.97Å; L110-V119 HydrophobicContact CD1-CG1 4.33Å; L110-V119 HydrophobicContact CD1-CG2 4.43Å; N115-V119 PolarHBondContact O-N 2.86Å; Y116-V119 PolarHBondContact O-N 2.87Å; V119-S121 PolarHBondContact O-N 3.4Å; V119-T122 PolarHBondContact O-N 2.87Å; V119-T122 PolarHBondContact O-OG1 2.96Å; V119-L123 HydrophobicContact CG1-CD1 4.12Å; V119-L123 WeakPolarHBondContact O-CG 3.4Å; V119-L123 PolarHBondContact O-N 3.36Å; V119-L123 VanDerWaalsContact O-N 3.12Å
120Q94.8Very high92.4Very high6 Ų627.2 Ų27.23%0.02814%0.143CC..Hα-helixtrans-57.7-48.5177-178.4176.75600111.9Y25 D26 L33 M50 Y116 T117 Q118 T122 L123 I124Y25-Q120 HydrophobicContact CD2-CB 4.33Å; Y25-Q120 HydrophobicContact CE2-CB 3.95Å; Y25-Q120 HydrophobicContact CE2-CG 4.41Å; D26-Q120 VanDerWaalsContact N-OE1 3.11Å; D26-Q120 PolarHBondContact O-NE2 3.34Å; L33-Q120 HydrophobicContact CD1-CG 3.81Å; M50-Q120 HydrophobicContact CE-CB 4.33Å; Y116-Q120 WeakPolarHBondContact O-CB 3.44Å; Y116-Q120 PolarHBondContact O-N 3.05Å; T117-Q120 PolarHBondContact O-N 3.46Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 PolarHBondContact O-N 3.4Å; Q120-T122 VanDerWaalsContact C-N 3.32Å; Q120-T122 PolarHBondContact O-N 3.44Å; Q120-L123 PolarHBondContact O-N 3.43Å; Q120-I124 HydrophobicContact CG-CD1 3.88Å; Q120-I124 WeakPolarHBondContact O-CD1 3.47Å; Q120-I124 VanDerWaalsContact O-CG1 3.3Å; Q120-I124 WeakPolarHBondContact O-CG1 2.86Å; Q120-I124 PolarHBondContact O-N 3.3Å; Q120-I124 VanDerWaalsContact O-N 3.09Å
121S93.9Very high92.2Very high51 Ų5128.6 Ų28.636%0.35715%0.149SC..Hα-helixtrans-60.1-41.9178.6-169.50000112.1T117 Q118 V119 L123 I124 T125T117-S121 WeakPolarHBondContact O-CB 3.45Å; T117-S121 PolarHBondContact O-N 3.12Å; Q118-S121 PolarHBondContact O-N 3.03Å; Q118-S121 VanDerWaalsContact O-N 3.15Å; V119-S121 PolarHBondContact O-N 3.4Å; S121-L123 PolarHBondContact O-N 2.88Å; S121-I124 PolarHBondContact O-N 3.42Å; S121-T125 PolarHBondContact O-N 3.29Å; S121-T125 PolarHBondContact O-OG1 3.29Å; S121-T125 VanDerWaalsContact O-OG1 3.12Å
122T95.2Very high92Very high1 Ų128.4 Ų28.41%0.00615%0.152CC..Hα-helixtrans-64.1-40.8-179.867.50000112.4M99 D103 F105 Q118 V119 Q120 T125 L126M99-T122 WeakPolarHBondContact CE-O 3.45Å; D103-T122 VanDerWaalsContact O-CB 3.32Å; D103-T122 WeakPolarHBondContact O-CB 3.45Å; D103-T122 WeakPolarHBondContact O-CG2 3.45Å; F105-T122 HydrophobicContact CB-CG2 3.9Å; F105-T122 HydrophobicContact CD1-CG2 3.75Å; F105-T122 VanDerWaalsContact CD1-OG1 3.23Å; F105-T122 WeakPolarHBondContact CD1-OG1 3.35Å; F105-T122 HydrophobicContact CG-CG2 4.31Å; Q118-T122 HydrophobicContact CG-CG2 4.2Å; Q118-T122 WeakPolarHBondContact O-CG2 3.45Å; Q118-T122 PolarHBondContact O-N 3.26Å; V119-T122 PolarHBondContact O-N 2.87Å; V119-T122 PolarHBondContact O-OG1 2.96Å; Q120-T122 VanDerWaalsContact C-N 3.32Å; Q120-T122 PolarHBondContact O-N 3.44Å; T122-T125 PolarHBondContact O-N 3.15Å; T122-L126 WeakPolarHBondContact O-CB 3.41Å; T122-L126 PolarHBondContact O-N 3.27Å
123L94.9Very high91.8Very high1 Ų127.9 Ų27.91%0.00515%0.148CC..Hα-helixtrans-69.5-37.3179.5-67.1173.6000111.5L33 I37 L53 L59 L62 F90 V119 Q120 S121 L126 A127L33-L123 HydrophobicContact CD1-CB 4.04Å; L33-L123 HydrophobicContact CD1-CD1 4.49Å; L33-L123 HydrophobicContact CD2-CB 3.8Å; I37-L123 HydrophobicContact CD1-CD1 4.3Å; L53-L123 HydrophobicContact CD1-CD1 4.08Å; L59-L123 HydrophobicContact CD2-CD2 4.01Å; L62-L123 HydrophobicContact CD2-CD2 4.44Å; F90-L123 HydrophobicContact CE1-CD2 4.26Å; F90-L123 HydrophobicContact CZ-CD2 3.96Å; V119-L123 HydrophobicContact CG1-CD1 4.12Å; V119-L123 WeakPolarHBondContact O-CG 3.4Å; V119-L123 PolarHBondContact O-N 3.36Å; V119-L123 VanDerWaalsContact O-N 3.12Å; Q120-L123 PolarHBondContact O-N 3.43Å; S121-L123 PolarHBondContact O-N 2.88Å; L123-L126 PolarHBondContact O-N 3.15Å; L123-A127 PolarHBondContact O-N 3.18Å
124I93.6Very high91.6Very high33 Ų3327.3 Ų27.317%0.16916%0.155CC..Hα-helixtrans-63-46.2173.9-66.7161.5000110.5K29 L33 Q120 S121 L126 A127 G128K29-I124 HydrophobicContact CB-CD1 4.26Å; K29-I124 HydrophobicContact CD-CD1 3.67Å; L33-I124 HydrophobicContact CD1-CG1 4.02Å; L33-I124 HydrophobicContact CD2-CG1 3.98Å; L33-I124 HydrophobicContact CG-CG1 4.11Å; Q120-I124 HydrophobicContact CG-CD1 3.88Å; Q120-I124 WeakPolarHBondContact O-CD1 3.47Å; Q120-I124 VanDerWaalsContact O-CG1 3.3Å; Q120-I124 WeakPolarHBondContact O-CG1 2.86Å; Q120-I124 PolarHBondContact O-N 3.3Å; Q120-I124 VanDerWaalsContact O-N 3.09Å; S121-I124 PolarHBondContact O-N 3.42Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 3.5Å; I124-A127 PolarHBondContact O-N 3.03Å; I124-G128 PolarHBondContact O-N 2.94Å; I124-G128 VanDerWaalsContact O-N 3.13Å
125T93.3Very high91.6Very high17 Ų1726.9 Ų26.910%0.10415%0.147CC..Hα-helixtrans-62.9-41.9177.3-59.60000111.2M99 D103 S121 T122 A127 G128 I129M99-T125 HydrophobicContact SD-CG2 3.8Å; D103-T125 HydrophobicContact CB-CG2 4.28Å; S121-T125 PolarHBondContact O-N 3.29Å; S121-T125 PolarHBondContact O-OG1 3.29Å; S121-T125 VanDerWaalsContact O-OG1 3.12Å; T122-T125 PolarHBondContact O-N 3.15Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 3.09Å; T125-G128 PolarHBondContact O-N 3.08Å; T125-I129 HydrophobicContact CG2-CD1 4.08Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.46Å
126L93.9Very high91.1Very high1 Ų132.1 Ų32.11%0.00517%0.171CC..Hα-helixtrans-58.9-44.3176179.665000111.8L62 L66 F90 I94 Y97 M99 T122 L123 I124 G128 I129 A130L62-L126 HydrophobicContact CD2-CD2 4.25Å; L66-L126 HydrophobicContact CD1-CD1 4.49Å; L66-L126 HydrophobicContact CD1-CD2 4.4Å; L66-L126 HydrophobicContact CD1-CG 4.34Å; F90-L126 HydrophobicContact CE2-CD2 4.14Å; F90-L126 HydrophobicContact CZ-CD2 3.8Å; I94-L126 HydrophobicContact CB-CD1 4.25Å; I94-L126 HydrophobicContact CG2-CD1 3.98Å; I94-L126 HydrophobicContact CG2-CD2 3.93Å; Y97-L126 HydrophobicContact CD1-CD1 3.81Å; Y97-L126 HydrophobicContact CE1-CD1 4.15Å; M99-L126 HydrophobicContact CG-CD1 4.38Å; M99-L126 HydrophobicContact SD-CB 4.17Å; T122-L126 WeakPolarHBondContact O-CB 3.41Å; T122-L126 PolarHBondContact O-N 3.27Å; L123-L126 PolarHBondContact O-N 3.15Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 3.5Å; L126-G128 PolarHBondContact O-N 3.14Å; L126-I129 PolarHBondContact O-N 3Å; L126-A130 WeakPolarHBondContact O-CB 3.46Å; L126-A130 PolarHBondContact O-N 3.5Å
127A92.7Very high90.5Very high2 Ų230.3 Ų30.32%0.01717%0.166CC..Hα-helixtrans-60.3-44.4176.800000111.8W36 L123 I124 T125 I129 A130 Q131 M141W36-A127 HydrophobicContact CD2-CB 4Å; W36-A127 HydrophobicContact CE3-CB 4.17Å; W36-A127 HydrophobicContact CH2-CB 3.93Å; W36-A127 HydrophobicContact CZ2-CB 3.73Å; W36-A127 HydrophobicContact CZ3-CB 4.14Å; L123-A127 PolarHBondContact O-N 3.18Å; I124-A127 PolarHBondContact O-N 3.03Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 3.09Å; A127-I129 PolarHBondContact O-N 3.45Å; A127-A130 WeakPolarHBondContact O-CB 3.48Å; A127-A130 PolarHBondContact O-N 3.35Å; A127-Q131 PolarHBondContact O-N 2.73Å; A127-M141 CarbonylContact C-O 3.4Å; A127-M141 HydrophobicContact CB-CB 3.83Å; A127-M141 WeakPolarHBondContact CB-O 3.27Å
128G90.9Very high89.8Confident1 Ų137.6 Ų37.61%0.0120%0.196CC..Hα-helixtrans-63.5-37.2175.400000113.5I124 T125 L126 S132 M141I124-G128 PolarHBondContact O-N 2.94Å; I124-G128 VanDerWaalsContact O-N 3.13Å; T125-G128 PolarHBondContact O-N 3.08Å; L126-G128 PolarHBondContact O-N 3.14Å; G128-S132 PolarHBondContact O-N 3.38Å; G128-M141 PolarHBondContact N-O 2.94Å
129I91.3Very high89Confident20 Ų2038.4 Ų38.410%0.10320%0.2CC..Hα-helixtrans-67.5-42.6174-65.3170.5000110.5Y97 M99 T125 L126 A127 Q131 S132 K133 Y145Y97-I129 HydrophobicContact CD1-CG2 3.83Å; Y97-I129 HydrophobicContact CE1-CB 4.43Å; Y97-I129 HydrophobicContact CE1-CG2 3.72Å; M99-I129 HydrophobicContact CG-CD1 4.04Å; M99-I129 HydrophobicContact SD-CD1 3.68Å; T125-I129 HydrophobicContact CG2-CD1 4.08Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.46Å; L126-I129 PolarHBondContact O-N 3Å; A127-I129 PolarHBondContact O-N 3.45Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 3.09Å; I129-S132 WeakPolarHBondContact O-CB 3.42Å; I129-S132 PolarHBondContact O-N 2.95Å; I129-S132 VanDerWaalsContact O-N 3.09Å; I129-S132 PolarHBondContact O-OG 2.89Å; I129-K133 PolarHBondContact O-N 3.41Å; I129-Y145 HydrophobicContact CG1-CD2 4.11Å; I129-Y145 HydrophobicContact CG1-CE2 3.9Å
130A91.6Very high87.9Confident1 Ų142.3 Ų42.31%0.00822%0.22CC..Hα-helixtrans-59.5-43.7177.300000111.3W36 L66 Y97 L126 A127 S132 K133 G134 F135W36-A130 HydrophobicContact CZ2-CB 4.44Å; L66-A130 HydrophobicContact CD1-CB 4.25Å; L66-A130 HydrophobicContact CD2-CB 3.9Å; Y97-A130 HydrophobicContact CE1-CB 4.41Å; Y97-A130 WeakPolarHBondContact OH-CA 3.23Å; L126-A130 WeakPolarHBondContact O-CB 3.46Å; L126-A130 PolarHBondContact O-N 3.5Å; A127-A130 WeakPolarHBondContact O-CB 3.48Å; A127-A130 PolarHBondContact O-N 3.35Å; A130-S132 VanDerWaalsContact C-N 3.32Å; A130-S132 PolarHBondContact O-N 3.23Å; A130-K133 PolarHBondContact O-N 3.12Å; A130-K133 VanDerWaalsContact O-N 3.15Å; A130-G134 PolarHBondContact O-N 3.5Å; A130-F135 HydrophobicContact CB-CB 4.24Å; A130-F135 WeakPolarHBondContact O-CB 3.34Å; A130-F135 PolarHBondContact O-N 3.43Å
131Q89.7Confident86.8Confident30 Ų3042.9 Ų42.914%0.1422%0.223CC..Hα-helixtrans-62-38.9173.8-160.3-171.432.800112.1A127 I129 K133 G134 D140A127-Q131 PolarHBondContact O-N 2.73Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 3.09Å; Q131-K133 PolarHBondContact O-N 3.33Å; Q131-G134 PolarHBondContact O-N 2.94Å; Q131-G134 VanDerWaalsContact O-N 3.1Å; Q131-D140 VanDerWaalsContact NE2-CG 3.31Å; Q131-D140 PolarHBondContact NE2-OD2 3.01Å
132S87Confident85.6Confident32 Ų3242.2 Ų42.222%0.22422%0.224CC..Hα-helixtrans-63.5-29.5176.482.30000113.1G128 I129 A130 G134G128-S132 PolarHBondContact O-N 3.38Å; I129-S132 WeakPolarHBondContact O-CB 3.42Å; I129-S132 PolarHBondContact O-N 2.95Å; I129-S132 VanDerWaalsContact O-N 3.09Å; I129-S132 PolarHBondContact O-OG 2.89Å; A130-S132 VanDerWaalsContact C-N 3.32Å; A130-S132 PolarHBondContact O-N 3.23Å; S132-G134 VanDerWaalsContact C-N 3.29Å
133K87.6Confident84.5Confident110 Ų11047.7 Ų47.748%0.47826%0.257SS..THydrogen-bonded Turntrans-84.52.4175.9-70.9-174.1177-174.90114.1Y97 I129 A130 Q131Y97-K133 HydrophobicContact CE1-CD 3.92Å; Y97-K133 HydrophobicContact CE2-CD 3.97Å; Y97-K133 VanDerWaalsContact O-CE 3.25Å; Y97-K133 WeakPolarHBondContact O-CE 3.47Å; Y97-K133 PolarHBondContact O-NZ 3.46Å; I129-K133 PolarHBondContact O-N 3.41Å; A130-K133 PolarHBondContact O-N 3.12Å; A130-K133 VanDerWaalsContact O-N 3.15Å; Q131-K133 PolarHBondContact O-N 3.33Å
134G84.1Confident83.4Confident43 Ų4353.8 Ų53.844%0.44328%0.284SS..THydrogen-bonded Turntrans8615.4178.100000114.4A130 Q131 S132 H136A130-G134 PolarHBondContact O-N 3.5Å; Q131-G134 PolarHBondContact O-N 2.94Å; Q131-G134 VanDerWaalsContact O-N 3.1Å; S132-G134 VanDerWaalsContact C-N 3.29Å; G134-H136 PolarHBondContact O-CD2 3.34Å
135F85.8Confident82.2Confident64 Ų6457.3 Ų57.328%0.28130%0.296SS..  trans-76.6123.7167.1-167.6-83000108.9V40 L66 A130V40-F135 HydrophobicContact CG1-CE1 4.29Å; V40-F135 HydrophobicContact CG1-CZ 4.02Å; V40-F135 HydrophobicContact CG2-CE1 3.81Å; V40-F135 HydrophobicContact CG2-CZ 4.29Å; L66-F135 HydrophobicContact CD2-CB 4.47Å; L66-F135 HydrophobicContact CD2-CD1 3.9Å; L66-F135 HydrophobicContact CD2-CD2 3.82Å; L66-F135 HydrophobicContact CD2-CE1 4.09Å; L66-F135 HydrophobicContact CD2-CE2 3.98Å; L66-F135 HydrophobicContact CD2-CG 3.77Å; L66-F135 HydrophobicContact CD2-CZ 4.11Å; A130-F135 HydrophobicContact CB-CB 4.24Å; A130-F135 WeakPolarHBondContact O-CB 3.34Å; A130-F135 PolarHBondContact O-N 3.43Å
136H79.6Confident80.8Confident140 Ų14061.5 Ų61.565%0.64833%0.332SS*.  trans-111.8116.9-179.8-67.1-66.1000109.5G134G134-H136 PolarHBondContact O-CD2 3.34Å
137S80.2Confident79.4Confident16 Ų1667.1 Ų67.111%0.11237%0.366CS..  trans-104.2159172.745.20000109.8W36 D39 H139 D140W36-S137 VanDerWaalsContact CD1-OG 3.24Å; W36-S137 PolarHBondContact NE1-OG 3.07Å; D39-S137 WeakPolarHBondContact OD2-CB 3.43Å; S137-H139 PolarHBondContact O-N 3.09Å; S137-H139 PolarHBondContact OG-O 2.86Å; S137-D140 VanDerWaalsContact O-OD1 3.1Å; S137-D140 PolarHBondContact OG-OD1 2.96Å
138K77.6Confident78.6Confident173 Ų17371.6 Ų71.675%0.75240%0.404SS*.SBendtrans-65.1-32.9172.9-173-179.7178-174.10111.7D39D39-K138 PolarHBondContact OD2-N 3.13Å
139H77.8Confident77.9Confident65 Ų6578.9 Ų78.930%0.30144%0.437SS..SBendtrans-104.979.9177.9-57.297.6000109.2W36 S137 M141W36-H139 HydrophobicContact CB-CB 4.46Å; S137-H139 PolarHBondContact O-N 3.09Å; S137-H139 PolarHBondContact OG-O 2.86Å; H139-M141 PolarHBondContact O-N 3.2Å
140D71.2Confident77.2Confident82 Ų8285.6 Ų85.644%0.43947%0.468SS..  trans-64.4118178.9-89.2-3.3000110.8Q131 S137Q131-D140 VanDerWaalsContact NE2-CG 3.31Å; Q131-D140 PolarHBondContact NE2-OD2 3.01Å; S137-D140 VanDerWaalsContact O-OD1 3.1Å; S137-D140 PolarHBondContact OG-OD1 2.96Å
141M72.1Confident76.7Confident18 Ų1894.5 Ų94.59%0.08950%0.501CS..  trans-121.4136.1-177.1-84.8-67.6-8500111.1E32 L33 W36 A127 G128 H139E32-M141 HydrophobicContact CB-CE 3.35Å; E32-M141 HydrophobicContact CB-CG 4.28Å; E32-M141 HydrophobicContact CB-SD 3.47Å; E32-M141 WeakPolarHBondContact CB-SD 3.16Å; E32-M141 HydrophobicContact CG-CE 4.41Å; E32-M141 HydrophobicContact CG-SD 4.21Å; E32-M141 WeakPolarHBondContact OE2-CE 3.05Å; L33-M141 HydrophobicContact CD2-CE 4.27Å; L33-M141 HydrophobicContact CG-CE 4.14Å; W36-M141 HydrophobicContact CB-CB 4.5Å; W36-M141 HydrophobicContact CB-CG 4.14Å; W36-M141 HydrophobicContact CG-CB 4.32Å; W36-M141 HydrophobicContact CG-CG 4.47Å; A127-M141 CarbonylContact C-O 3.4Å; A127-M141 HydrophobicContact CB-CB 3.83Å; A127-M141 WeakPolarHBondContact CB-O 3.27Å; G128-M141 PolarHBondContact N-O 2.94Å; H139-M141 PolarHBondContact O-N 3.2Å
142G66.9Low76.3Confident36 Ų36104 Ų10437%0.37154%0.536SS..SBendtrans90.1175.7-179.900000114
143V73.6Confident76.3Confident116 Ų116107.4 Ų107.470%0.70355%0.547SS*.  trans-96.9126.1179.1179.60000108.5Y145V143-Y145 PolarHBondContact O-N 2.89Å; V143-Y145 VanDerWaalsContact O-N 3.08Å
144K70.3Confident76.3Confident129 Ų129104.9 Ų104.956%0.56155%0.547SS*.  trans-59.9113.6172.7-174.1175.6-178.5173.50110.1A146K144-A146 PolarHBondContact O-N 3.41Å
145Y68.3Low76.2Confident108 Ų108107.6 Ų107.642%0.42456%0.556SS.*PPolyproline II helixtrans-67.2131.8174-67.7-82.2000110.6I129 V143 T147I129-Y145 HydrophobicContact CG1-CD2 4.11Å; I129-Y145 HydrophobicContact CG1-CE2 3.9Å; V143-Y145 PolarHBondContact O-N 2.89Å; V143-Y145 VanDerWaalsContact O-N 3.08Å; Y145-T147 PolarHBondContact O-N 3.37Å
146A64.5Low76.2Confident104 Ų104110 Ų11086%0.8657%0.572SS**PPolyproline II helixtrans-73.2122.8175.600000110.2K144K144-A146 PolarHBondContact O-N 3.41Å
147T65.1Low76.2Confident119 Ų119108.5 Ų108.573%0.7357%0.567SS**PPolyproline II helixtrans-78.6143.217127.20000110.8Y145 H149Y145-T147 PolarHBondContact O-N 3.37Å; T147-H149 PolarHBondContact O-N 3.07Å
148A75.2Confident76.2Confident97 Ų97112.3 Ų112.380%0.80259%0.585SS**  trans-64.7108.1175.600000109.8Q150A148-Q150 PolarHBondContact O-N 3.3Å
149H77.5Confident76.4Confident154 Ų154111.1 Ų111.171%0.71358%0.58SS**  trans-83.890.6174.6-176.3-93.6000109.6T147 R151T147-H149 PolarHBondContact O-N 3.07Å; H149-R151 PolarHBondContact O-N 3.42Å
150Q76Confident76.4Confident161 Ų161114.4 Ų114.475%0.75260%0.595SS**  trans-67.2101.7173.4-72.7-171.6-2900109.6A148 R152A148-Q150 PolarHBondContact O-N 3.3Å; Q150-R152 PolarHBondContact O-N 2.93Å; Q150-R152 VanDerWaalsContact O-N 3.14Å
151R80.6Confident76.7Confident187 Ų187112.5 Ų112.571%0.70660%0.596SS**  trans-66.9111.6173.6-64.6-179.1-176.5-178.30.5108.4H149 F153H149-R151 PolarHBondContact O-N 3.42Å; R151-F153 HydrophobicContact CB-CE1 4.46Å; R151-F153 HydrophobicContact CB-CE2 3.95Å; R151-F153 HydrophobicContact CB-CZ 3.86Å
152R81.6Confident76.6Confident231 Ų231121.9 Ų121.987%0.87263%0.63SS**PPolyproline II helixtrans-86.9117.5169.8-65.1-171.3178.7-150.8-0.2107.9Q150Q150-R152 PolarHBondContact O-N 2.93Å; Q150-R152 VanDerWaalsContact O-N 3.14Å
153F85.9Confident76.7Confident103 Ų103126.2 Ų126.245%0.45265%0.645SS.*PPolyproline II helixtrans-94.8145.4172.2-60.6-72.5000109R151 M157 L158R151-F153 HydrophobicContact CB-CE1 4.46Å; R151-F153 HydrophobicContact CB-CE2 3.95Å; R151-F153 HydrophobicContact CB-CZ 3.86Å; F153-M157 HydrophobicContact CB-SD 4.27Å; F153-M157 HydrophobicContact CD1-CE 4.15Å; F153-M157 HydrophobicContact CD1-SD 3.55Å; F153-M157 VanDerWaalsContact CD1-SD 3.55Å; F153-M157 HydrophobicContact CE1-CE 4.37Å; F153-M157 HydrophobicContact CE1-SD 4.33Å; F153-M157 HydrophobicContact CG-SD 4.3Å; F153-L158 HydrophobicContact CB-CD1 4.38Å; F153-L158 HydrophobicContact CB-CD2 3.94Å; F153-L158 HydrophobicContact CB-CG 3.84Å; F153-L158 HydrophobicContact CD2-CD2 4.18Å; F153-L158 HydrophobicContact CG-CD2 4.44Å
154A87.4Confident76.4Confident57 Ų57126.1 Ų126.147%0.47164%0.644SS.*PPolyproline II helixtrans-58.5146.317200000109.9D156 M157 L158A154-D156 PolarHBondContact O-N 3.17Å; A154-M157 HydrophobicContact CB-CB 4.43Å; A154-M157 WeakPolarHBondContact O-CB 3.37Å; A154-M157 PolarHBondContact O-N 3.47Å; A154-L158 PolarHBondContact O-N 3.35Å; A154-L158 VanDerWaalsContact O-N 3.09Å
155P84Confident76Confident100 Ų100125.3 Ų125.365%0.64965%0.645SS**Hα-helixtrans-57.6-34.4-178.923.1-33.2000112.3L158 K159P155-L158 PolarHBondContact O-N 2.87Å; P155-K159 WeakPolarHBondContact O-CB 3.44Å; P155-K159 PolarHBondContact O-N 3.33Å
156D83.8Confident75.8Confident113 Ų113122.1 Ų122.160%0.60465%0.645SS**Hα-helixtrans-66.1-41.7177.2-58.2-39.7000111.9A154 L158 K159 E160A154-D156 PolarHBondContact O-N 3.17Å; D156-L158 VanDerWaalsContact C-N 3.33Å; D156-L158 PolarHBondContact O-N 2.85Å; D156-K159 WeakPolarHBondContact O-CB 3.37Å; D156-K159 PolarHBondContact O-N 3.41Å; D156-K159 VanDerWaalsContact O-N 3.13Å; D156-E160 WeakPolarHBondContact O-CG 3.46Å; D156-E160 PolarHBondContact O-N 2.99Å
157M79.6Confident75.6Confident110 Ų110125.9 Ų125.954%0.54265%0.65SS.*Hα-helixtrans-64.5-37.5175.8-170.9-179.4-170.300112F153 A154 K159 G161F153-M157 HydrophobicContact CB-SD 4.27Å; F153-M157 HydrophobicContact CD1-CE 4.15Å; F153-M157 HydrophobicContact CD1-SD 3.55Å; F153-M157 VanDerWaalsContact CD1-SD 3.55Å; F153-M157 HydrophobicContact CE1-CE 4.37Å; F153-M157 HydrophobicContact CE1-SD 4.33Å; F153-M157 HydrophobicContact CG-SD 4.3Å; A154-M157 HydrophobicContact CB-CB 4.43Å; A154-M157 WeakPolarHBondContact O-CB 3.37Å; A154-M157 PolarHBondContact O-N 3.47Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-G161 PolarHBondContact O-N 2.88Å
158L82.1Confident75.2Confident95 Ų95129.6 Ų129.650%0.49766%0.659SS.*Hα-helixtrans-67.1-36.1173.7-69.5169.1000111.7F153 A154 P155 D156 G161 R162F153-L158 HydrophobicContact CB-CD1 4.38Å; F153-L158 HydrophobicContact CB-CD2 3.94Å; F153-L158 HydrophobicContact CB-CG 3.84Å; F153-L158 HydrophobicContact CD2-CD2 4.18Å; F153-L158 HydrophobicContact CG-CD2 4.44Å; A154-L158 PolarHBondContact O-N 3.35Å; A154-L158 VanDerWaalsContact O-N 3.09Å; P155-L158 PolarHBondContact O-N 2.87Å; D156-L158 VanDerWaalsContact C-N 3.33Å; D156-L158 PolarHBondContact O-N 2.85Å; L158-G161 PolarHBondContact O-N 3.26Å; L158-R162 PolarHBondContact O-N 3.42Å
159K81Confident74.5Confident148 Ų148131.5 Ų131.564%0.64365%0.652SS**Hα-helixtrans-68.7-42.2176.4-170.3178.3-179.2-178.90111.3P155 D156 M157 G161 R162P155-K159 WeakPolarHBondContact O-CB 3.44Å; P155-K159 PolarHBondContact O-N 3.33Å; D156-K159 WeakPolarHBondContact O-CB 3.37Å; D156-K159 PolarHBondContact O-N 3.41Å; D156-K159 VanDerWaalsContact O-N 3.13Å; M157-K159 VanDerWaalsContact C-N 3.34Å; K159-G161 VanDerWaalsContact C-N 3.34Å; K159-R162 WeakPolarHBondContact O-CB 3.27Å; K159-R162 PolarHBondContact O-N 3.24Å
160E78.4Confident73.4Confident134 Ų134127.7 Ų127.763%0.62666%0.655SS**Hα-helixtrans-63.3-39.2174-72.8-179.9172.500112.1D156 R162 N163D156-E160 WeakPolarHBondContact O-CG 3.46Å; D156-E160 PolarHBondContact O-N 2.99Å; E160-R162 PolarHBondContact O-N 3.49Å; E160-N163 WeakPolarHBondContact O-CB 3.13Å; E160-N163 PolarHBondContact O-N 3.2Å
161G76.5Confident72.4Confident43 Ų43124.3 Ų124.344%0.44365%0.645SS.*Hα-helixtrans-59.2-30.3175.500000113.9M157 L158 K159 N163 V164M157-G161 PolarHBondContact O-N 2.88Å; L158-G161 PolarHBondContact O-N 3.26Å; K159-G161 VanDerWaalsContact C-N 3.34Å; G161-N163 PolarHBondContact O-N 3.06Å; G161-V164 PolarHBondContact O-N 3.17Å
162R70.5Confident71.2Confident214 Ų214120.5 Ų120.581%0.80864%0.639SS**THydrogen-bonded Turntrans-68.2-20.4175.6-66.9177.2-179.2-179.3-0113.3L158 K159 E160 V164L158-R162 PolarHBondContact O-N 3.42Å; K159-R162 WeakPolarHBondContact O-CB 3.27Å; K159-R162 PolarHBondContact O-N 3.24Å; E160-R162 PolarHBondContact O-N 3.49Å; R162-V164 VanDerWaalsContact C-N 3.34Å
163N67.8Low69.9Low128 Ų128117.8 Ų117.868%0.68463%0.634SS**THydrogen-bonded Turntrans-88.9-3.6178.6-62.8-27.1000112.6E160 G161 I165E160-N163 WeakPolarHBondContact O-CB 3.13Å; E160-N163 PolarHBondContact O-N 3.2Å; G161-N163 PolarHBondContact O-N 3.06Å; N163-I165 PolarHBondContact O-N 3.34Å
164V67.6Low68.4Low113 Ų113120.6 Ų120.669%0.68565%0.652SS**  trans-8698.8176.2-175.90000109.1G161 R162 G166G161-V164 PolarHBondContact O-N 3.17Å; R162-V164 VanDerWaalsContact C-N 3.34Å; V164-G166 PolarHBondContact O-N 3.02Å
165I62.4Low66.8Low112 Ų112121 Ų12157%0.57466%0.655SS**  trans-74.6114.5174.4-60.6179.1000108.1N163 M169N163-I165 PolarHBondContact O-N 3.34Å; I165-M169 HydrophobicContact CG2-CB 3.45Å; I165-M169 VanDerWaalsContact CG2-CB 3.45Å; I165-M169 HydrophobicContact CG2-CG 4.36Å
166G64.1Low65.3Low41 Ų41120.1 Ų120.142%0.42365%0.652SS.*  trans-60.7149.8178.400000112.2V164 Q168 M169V164-G166 PolarHBondContact O-N 3.02Å; G166-Q168 PolarHBondContact O-N 2.77Å; G166-M169 WeakPolarHBondContact O-CB 3.44Å; G166-M169 PolarHBondContact O-N 2.86Å
167L60.4Low63.8Low184 Ų184120.1 Ų120.196%0.96365%0.648SS**THydrogen-bonded Turntrans-56.5-21.5-172.7-138.5112.3000114.7
168Q56.4Low62.3Low197 Ų197123.5 Ų123.592%0.92166%0.66SS**THydrogen-bonded Turntrans-81-18.5177.9-66.8-173.7-16.700113.8G166 G170G166-Q168 PolarHBondContact O-N 2.77Å; Q168-G170 PolarHBondContact O-N 3.33Å
169M60Low61Low136 Ų136123 Ų12367%0.6768%0.677SS**SBendtrans-86.187.7174.1-61.9-71-83.100106.5I165 G166I165-M169 HydrophobicContact CG2-CB 3.45Å; I165-M169 VanDerWaalsContact CG2-CB 3.45Å; I165-M169 HydrophobicContact CG2-CG 4.36Å; G166-M169 WeakPolarHBondContact O-CB 3.44Å; G166-M169 PolarHBondContact O-N 2.86Å
170G55.8Low59.6Low74 Ų74122 Ų12276%0.76368%0.676SS**  trans-42.2141.7-170.700000115Q168Q168-G170 PolarHBondContact O-N 3.33Å
171T53.9Low58.6Low91 Ų91120.5 Ų120.556%0.55868%0.677SS**  trans-86.8129.8-176.2-179.90000112.1K173T171-K173 PolarHBondContact O-N 3.32Å; T171-K173 WeakPolarHBondContact OG1-CB 3.44Å; T171-K173 PolarHBondContact OG1-N 3.24Å
172N57Low57.3Low106 Ų106120 Ų12057%0.56767%0.666SS**G310 helixtrans-76.3-7.7171.1-162.3-31.4000111.8L174 A175N172-L174 PolarHBondContact O-N 2.99Å; N172-L174 VanDerWaalsContact O-N 3.08Å; N172-A175 PolarHBondContact O-N 3.32Å
173K54.1Low56.2Low175 Ų175120 Ų12076%0.76167%0.668SS**G310 helixtrans-62.6-21.1-177.3-69.6-173.8176.2-177.90114.4T171T171-K173 PolarHBondContact O-N 3.32Å; T171-K173 WeakPolarHBondContact OG1-CB 3.44Å; T171-K173 PolarHBondContact OG1-N 3.24Å
174L54.4Low55.5Low162 Ų162117.5 Ų117.585%0.84867%0.672SS**G310 helixtrans-109.4-0.3176.8-60.8175000112.7N172 S176N172-L174 PolarHBondContact O-N 2.99Å; N172-L174 VanDerWaalsContact O-N 3.08Å; L174-S176 PolarHBondContact O-N 3.45Å
175A52.8Low54.7Low64 Ų64115.2 Ų115.253%0.52966%0.659SS.*  trans-85.7110.2178.300000109.3N172N172-A175 PolarHBondContact O-N 3.32Å
176S53.6Low54.1Low83 Ų83119.3 Ų119.358%0.5867%0.667SS**  trans-92132.2174.5-1780000109.9L174 K178L174-S176 PolarHBondContact O-N 3.45Å; S176-K178 PolarHBondContact O-N 2.9Å; S176-K178 WeakPolarHBondContact OG-CB 3.45Å; S176-K178 PolarHBondContact OG-N 3.09Å
177Q51.4Low53.5Low112 Ų112128.9 Ų128.952%0.52369%0.69SS.*  trans-75-4.1172.2-162.6171.758.400112.3G179 M180 M259Q177-G179 PolarHBondContact O-N 3.09Å; Q177-M180 HydrophobicContact CG-CB 4.04Å; Q177-M180 HydrophobicContact CG-CG 3.96Å; Q177-M180 WeakPolarHBondContact O-CB 3.42Å; Q177-M180 PolarHBondContact O-N 3.14Å; Q177-M180 VanDerWaalsContact O-N 3.17Å; Q177-M259 HydrophobicContact CG-CE 4.45Å
178K49.2Very low53.1Low182 Ų182127.9 Ų127.979%0.79168%0.68SS**THydrogen-bonded Turntrans-61.7120.5175.1-72.2-172.3174-175.60109.8S176S176-K178 PolarHBondContact O-N 2.9Å; S176-K178 WeakPolarHBondContact OG-CB 3.45Å; S176-K178 PolarHBondContact OG-N 3.09Å
179G54.7Low52.6Low83 Ų83126.9 Ų126.986%0.85668%0.68SS**THydrogen-bonded Turntrans98.1-4.9-179.800000115.2Q177 T181Q177-G179 PolarHBondContact O-N 3.09Å; G179-T181 PolarHBondContact O-N 3.39Å
180M50.6Low51.9Low128 Ų128129.5 Ų129.563%0.63168%0.684SS**PPolyproline II helixtrans-69.6120.7171.9-73.4-89.3-56.200110.6Q177Q177-M180 HydrophobicContact CG-CB 4.04Å; Q177-M180 HydrophobicContact CG-CG 3.96Å; Q177-M180 WeakPolarHBondContact O-CB 3.42Å; Q177-M180 PolarHBondContact O-N 3.14Å; Q177-M180 VanDerWaalsContact O-N 3.17Å
181T56.7Low51.5Low103 Ų103131.3 Ų131.363%0.63268%0.676SS**PPolyproline II helixtrans-77.1134.9173.313.60000110.7G179 T185G179-T181 PolarHBondContact O-N 3.39Å; T181-T185 HydrophobicContact CG2-CG2 4.37Å
182S49.9Very low51.3Low31 Ų31132.3 Ų132.322%0.21768%0.684CS.*PPolyproline II helixtrans-63.3145.2179.7-168.70000111.5G184 T185 Y262S182-G184 PolarHBondContact O-N 3.2Å; S182-T185 WeakPolarHBondContact CB-OG1 3.38Å; S182-T185 PolarHBondContact N-OG1 2.9Å; S182-T185 WeakPolarHBondContact O-CB 3.43Å; S182-T185 PolarHBondContact O-N 2.95Å; S182-T185 PolarHBondContact O-OG1 3.34Å; S182-Y262 WeakPolarHBondContact OG-CD2 3.5Å; S182-Y262 WeakPolarHBondContact OG-CE1 3.45Å; S182-Y262 WeakPolarHBondContact OG-CE2 3.23Å; S182-Y262 PolarHBondContact OG-OH 3.28Å
183Y46.8Very low51.2Low215 Ų215138.3 Ų138.384%0.84370%0.699SS**THydrogen-bonded Turntrans-62126.4178.7-145.6-94.6000109.3Y262Y183-Y262 VanDerWaalsContact O-CE1 3.28Å; Y183-Y262 WeakPolarHBondContact O-CE1 3.35Å; Y183-Y262 PolarHBondContact O-OH 2.82Å
184G53.6Low51.2Low76 Ų76132.7 Ų132.778%0.78469%0.691SS**THydrogen-bonded Turntrans900.8-174.200000115.6S182 R186S182-G184 PolarHBondContact O-N 3.2Å; G184-R186 PolarHBondContact O-N 2.87Å
185T51.8Low51.2Low65 Ų65128.8 Ų128.840%0.39969%0.689SS.*PPolyproline II helixtrans-67.6124.9168.9-43.80000109.1T181 S182 R187T181-T185 HydrophobicContact CG2-CG2 4.37Å; S182-T185 WeakPolarHBondContact CB-OG1 3.38Å; S182-T185 PolarHBondContact N-OG1 2.9Å; S182-T185 WeakPolarHBondContact O-CB 3.43Å; S182-T185 PolarHBondContact O-N 2.95Å; S182-T185 PolarHBondContact O-OG1 3.34Å; T185-R187 PolarHBondContact O-N 2.93Å
186R50Low50.9Low198 Ų198134.4 Ų134.475%0.74771%0.707SS**PPolyproline II helixtrans-60.5128.8179.1-62.6-164.3-169-136.56.5109.7G184 H188G184-R186 PolarHBondContact O-N 2.87Å; R186-H188 PolarHBondContact O-N 3.4Å
187R50.3Low50.6Low242 Ų242139.4 Ų139.491%0.91372%0.721SS**PPolyproline II helixtrans-71.1117.6167.2-68.6-179.7172.2166.4-2.6106.8T185 L189T185-R187 PolarHBondContact O-N 2.93Å; R187-L189 PolarHBondContact O-N 3.36Å
188H51.8Low50.4Low162 Ų162141.1 Ų141.175%0.7573%0.734SS**  trans-65.1108.4174.8-81.3-96000108.9R186 Y190R186-H188 PolarHBondContact O-N 3.4Å; H188-Y190 PolarHBondContact O-N 3.23Å
189L46.5Very low50.4Low176 Ų176138.7 Ų138.792%0.92174%0.737SS**  trans-93.276.4163.9-167.772.3000106.4R187R187-L189 PolarHBondContact O-N 3.36Å
190Y45.3Very low50.3Low191 Ų191142.7 Ų142.775%0.74974%0.738SS**  trans-114.5105.2175.3-152.7-90.3000108.3H188H188-Y190 PolarHBondContact O-N 3.23Å
191D46.3Very low50.2Low112 Ų112142.5 Ų142.560%0.59974%0.739SS**  trans-98.3115.7166.1-174.9-10.8000107.3R193 G194D191-R193 PolarHBondContact O-N 3.42Å; D191-R193 PolarHBondContact OD1-N 3.18Å; D191-G194 PolarHBondContact O-N 3.18Å
192P49.8Very low50.1Low112 Ų112147 Ų14773%0.72775%0.753SS**THydrogen-bonded Turntrans-61.1-4.9-176.6-21.431.7000115.5
193R54.8Low50.2Low232 Ų232149.3 Ų149.388%0.87577%0.769SS**THydrogen-bonded Turntrans-98-8.8-175.9-63.9-178.3-176.6176.62.1114.8D191D191-R193 PolarHBondContact O-N 3.42Å; D191-R193 PolarHBondContact OD1-N 3.18Å
194G55.1Low50.2Low58 Ų58143.6 Ų143.660%0.59876%0.757SS**SBendtrans-99.58717800000111.1D191 M196D191-G194 PolarHBondContact O-N 3.18Å; G194-M196 PolarHBondContact O-N 3.48Å; G194-M196 VanDerWaalsContact O-N 3.07Å
195G55.1Low50.3Low79 Ų79143.8 Ų143.881%0.81474%0.739SS**  trans-59.6110.917400000111.2
196M44.9Very low50.3Low182 Ų182144.4 Ų144.490%0.89775%0.746SS**  trans-147154.3163.6-70.9-163.1-165.600110.8G194G194-M196 PolarHBondContact O-N 3.48Å; G194-M196 VanDerWaalsContact O-N 3.07Å
197E47.1Very low50.3Low189 Ų189142 Ų14288%0.88375%0.747SS**PPolyproline II helixtrans-51.6154.3-158.1-69.7-178.2131.800117.8
198N48.7Very low50.2Low148 Ų148139.8 Ų139.879%0.79175%0.747SS**PPolyproline II helixtrans-50.8138.8172.2-67.7-23000111.4L200N198-L200 PolarHBondContact O-N 3.29Å
199P48.1Very low50Low130 Ų130138.8 Ų138.884%0.84475%0.745SS**PPolyproline II helixtrans-63.3121.8-176.823.4-31.2000111.3
200L53.9Low50Low168 Ų168132.8 Ų132.888%0.8873%0.725SS**PPolyproline II helixtrans-69.5151.7171.3-122.783.2000111.4N198N198-L200 PolarHBondContact O-N 3.29Å
201D47.9Very low50.2Low123 Ų123126.6 Ų126.666%0.65871%0.707SS**  trans-17.9122.3-174.9-170.33.1000117.2S203D201-S203 VanDerWaalsContact C-N 3.27Å; D201-S203 PolarHBondContact O-N 3.29Å; D201-S203 PolarHBondContact OD1-N 3.27Å; D201-S203 PolarHBondContact OD1-OG 3.41Å; D201-S203 PolarHBondContact OD2-OG 3.04Å
202Q53.8Low50.5Low198 Ų198126.3 Ų126.393%0.92571%0.706SS**THydrogen-bonded Turntrans-81.43.3-166.3-149.5159.89.600114.4
203S52.3Low50.3Low80 Ų80129.6 Ų129.656%0.55971%0.709SS**THydrogen-bonded Turntrans-97.6-12.9-171.865.70000115.2D201D201-S203 VanDerWaalsContact C-N 3.27Å; D201-S203 PolarHBondContact O-N 3.29Å; D201-S203 PolarHBondContact OD1-N 3.27Å; D201-S203 PolarHBondContact OD1-OG 3.41Å; D201-S203 PolarHBondContact OD2-OG 3.04Å
204T47.9Very low50.4Low95 Ų95122.1 Ų122.158%0.58370%0.704SS**  trans-129.3116.8-173.1-570000112.7
205I54.2Low50.1Low80 Ų80123.3 Ų123.341%0.4171%0.708SS.*  trans-83.9128.8174.3-56.6172.8000109.1M209I205-M209 HydrophobicContact CG2-CB 3.97Å
206S53.5Low50Low77 Ų77125.4 Ų125.454%0.53870%0.7SS.*  trans-70.9153.2-177.558.30000113.3Q208 M209S206-Q208 VanDerWaalsContact C-N 3.28Å; S206-Q208 PolarHBondContact O-N 3.08Å; S206-Q208 VanDerWaalsContact O-N 3.15Å; S206-M209 PolarHBondContact O-N 3.43Å
207L48.9Very low50.2Low148 Ų148124.8 Ų124.878%0.77570%0.695SS**G310 helixtrans-60.1-28.3-168.1-123.577.7000115M209 T211L207-M209 PolarHBondContact O-N 2.99Å; L207-T211 HydrophobicContact CD1-CG2 3.83Å; L207-T211 HydrophobicContact CG-CG2 4.15Å
208Q48.5Very low50Low195 Ų195120.1 Ų120.191%0.91168%0.683SS**G310 helixtrans-69.5-19.7177.6-87-177.7-30.900113.6S206S206-Q208 VanDerWaalsContact C-N 3.28Å; S206-Q208 PolarHBondContact O-N 3.08Å; S206-Q208 VanDerWaalsContact O-N 3.15Å
209M47.5Very low50.2Low142 Ų142116.8 Ų116.870%0.768%0.684SS**G310 helixtrans-104.47.2-174.3-63-71.4-9300113.2I205 S206 L207I205-M209 HydrophobicContact CG2-CB 3.97Å; S206-M209 PolarHBondContact O-N 3.43Å; L207-M209 PolarHBondContact O-N 2.99Å
210G47.1Very low50.1Low49 Ų49118 Ų11851%0.50568%0.68SS.*  trans83.7111.6-176.300000111.8
211T48.3Very low50Low62 Ų62115.2 Ų115.238%0.3867%0.67SS.*  trans-79139.2179.2141.20000110.7L207 K213L207-T211 HydrophobicContact CD1-CG2 3.83Å; L207-T211 HydrophobicContact CG-CG2 4.15Å; T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 WeakPolarHBondContact OG1-CB 3.44Å; T211-K213 PolarHBondContact OG1-N 3.48Å
212N53Low50Low105 Ų105112.3 Ų112.356%0.56166%0.663SS**SBendtrans-83.6-1.9174.265.7-15.7000113.4G214 A215N212-G214 PolarHBondContact O-N 2.95Å; N212-G214 VanDerWaalsContact O-N 3.08Å; N212-A215 PolarHBondContact O-N 3.09Å
213K46.5Very low49.5Very low182 Ų182108.8 Ų108.879%0.79166%0.658SS**THydrogen-bonded Turntrans-71.92.5-176.3-73.7-172.6173.5179.50115T211T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 WeakPolarHBondContact OG1-CB 3.44Å; T211-K213 PolarHBondContact OG1-N 3.48Å
214G55.6Low49.3Very low75 Ų75109 Ų10977%0.77367%0.673SS**THydrogen-bonded Turntrans-140.57.9176.800000115N212 N216N212-G214 PolarHBondContact O-N 2.95Å; N212-G214 VanDerWaalsContact O-N 3.08Å; G214-N216 PolarHBondContact O-N 3.3Å
215A50.4Low49.2Very low82 Ų82108.1 Ų108.168%0.67867%0.668SS**  trans-90.2107.5-17900000110.2N212N212-A215 PolarHBondContact O-N 3.09Å
216N51.4Low48.8Very low124 Ų124111.8 Ų111.866%0.66368%0.676SS**  trans-88.9128.2170.7-179.6-3.2000109.6G214 S218G214-N216 PolarHBondContact O-N 3.3Å; N216-S218 VanDerWaalsContact C-N 3.25Å; N216-S218 PolarHBondContact ND2-OG 3.25Å; N216-S218 PolarHBondContact O-N 3.38Å; N216-S218 WeakPolarHBondContact OD1-CB 2.96Å; N216-S218 PolarHBondContact OD1-N 3.32Å; N216-S218 PolarHBondContact OD1-OG 3.18Å
217Q50.1Low48.7Very low169 Ų169118.6 Ų118.679%0.7969%0.69SS**  trans-77.5-6.4-177-144.4174.973.800113.6G219 M220Q217-G219 PolarHBondContact O-N 3.46Å; Q217-M220 PolarHBondContact O-N 3.12Å
218S42.6Very low48.8Very low90 Ų90119.3 Ų119.363%0.62969%0.689SS**THydrogen-bonded Turntrans-68.5112.9177.658.40000111N216N216-S218 VanDerWaalsContact C-N 3.25Å; N216-S218 PolarHBondContact ND2-OG 3.25Å; N216-S218 PolarHBondContact O-N 3.38Å; N216-S218 WeakPolarHBondContact OD1-CB 2.96Å; N216-S218 PolarHBondContact OD1-N 3.32Å; N216-S218 PolarHBondContact OD1-OG 3.18Å
219G53.4Low48.8Very low79 Ų79117.5 Ų117.581%0.81468%0.684SS**THydrogen-bonded Turntrans111.4-3.4176.700000115.3Q217Q217-G219 PolarHBondContact O-N 3.46Å
220M44.8Very low48.8Very low155 Ų155117 Ų11776%0.76468%0.675SS**PPolyproline II helixtrans-82.7117.6174-67.3-167.570.200111.1Q217Q217-M220 PolarHBondContact O-N 3.12Å
221T52.7Low48.9Very low109 Ų109119.5 Ų119.567%0.66968%0.677SS**PPolyproline II helixtrans-75.3132.6173.8-30.80000110.4T225T221-T225 HydrophobicContact CG2-CG2 3.37Å
222A47.2Very low49Very low62 Ų62126.4 Ų126.451%0.51270%0.702SS.*PPolyproline II helixtrans-59.9144.1-176.600000111.8G224 T225A222-G224 PolarHBondContact O-N 3.13Å; A222-G224 VanDerWaalsContact O-N 3.09Å; A222-T225 PolarHBondContact N-OG1 3.2Å; A222-T225 WeakPolarHBondContact O-CB 3.37Å; A222-T225 PolarHBondContact O-N 3.17Å; A222-T225 PolarHBondContact O-OG1 2.91Å
223P43.4Very low49Very low125 Ų125125.6 Ų125.681%0.81270%0.704SS**THydrogen-bonded Turntrans-55.7119.6172.8-20.930.9000110
224G47.7Very low49.4Very low85 Ų85122.8 Ų122.888%0.87670%0.697SS**THydrogen-bonded Turntrans101.7-4.8-175.700000115.2A222 R226A222-G224 PolarHBondContact O-N 3.13Å; A222-G224 VanDerWaalsContact O-N 3.09Å; G224-R226 PolarHBondContact O-N 2.87Å
225T46.8Very low49.1Very low76 Ų76122.8 Ų122.847%0.46670%0.697SS.*PPolyproline II helixtrans-71.8128.8170.5-490000110.6T221 A222 R227T221-T225 HydrophobicContact CG2-CG2 3.37Å; A222-T225 PolarHBondContact N-OG1 3.2Å; A222-T225 WeakPolarHBondContact O-CB 3.37Å; A222-T225 PolarHBondContact O-N 3.17Å; A222-T225 PolarHBondContact O-OG1 2.91Å; T225-R227 PolarHBondContact O-N 2.97Å
226R46.4Very low49.2Very low157 Ų157125.3 Ų125.359%0.59270%0.699SS**PPolyproline II helixtrans-62.3120.9-175.9-166-176.5-171.7-147.95110.6G224G224-R226 PolarHBondContact O-N 2.87Å
227R50.6Low49.3Very low220 Ų220127.6 Ų127.683%0.8371%0.706SS**PPolyproline II helixtrans-74.7124.6166.6-67.7-173.1174.7-177.1-1.8108.3T225 I229T225-R227 PolarHBondContact O-N 2.97Å; R227-I229 PolarHBondContact O-N 3.39Å
228H50.5Low49.3Very low162 Ų162128.5 Ų128.575%0.7571%0.71SS**  trans-71.7115.2173-77.2-113.2000108.4
229I48Very low49.7Very low157 Ų157128.4 Ų128.481%0.80571%0.708SS**  trans-100.64.3177.9-57.2171.2000110.7R227 D231R227-I229 PolarHBondContact O-N 3.39Å; I229-D231 PolarHBondContact O-N 3.12Å
230Y48.9Very low49.3Very low131 Ų131129.5 Ų129.551%0.51470%0.695SS.*  trans-86.1107.4-178.6-85.5-85.5000111.3
231D47.8Very low49.7Very low102 Ų102127.5 Ų127.555%0.54569%0.692SS.*  trans-86.1116.7155.4-173.6-4.1000108.4I229 S233 L234I229-D231 PolarHBondContact O-N 3.12Å; D231-S233 PolarHBondContact O-N 3.12Å; D231-S233 VanDerWaalsContact O-N 3.14Å; D231-S233 WeakPolarHBondContact OD1-CB 3.42Å; D231-S233 PolarHBondContact OD1-N 3.46Å; D231-S233 VanDerWaalsContact OD1-N 3.09Å; D231-S233 PolarHBondContact OD1-OG 3.23Å; D231-S233 VanDerWaalsContact OD1-OG 3.09Å; D231-S233 PolarHBondContact OD2-OG 3.39Å; D231-L234 HydrophobicContact CB-CD1 4.47Å; D231-L234 PolarHBondContact O-N 3.29Å
232K51.3Low49.6Very low208 Ų208126.6 Ų126.690%0.90469%0.69SS**G310 helixtrans-64.7-13-178.3-117.4177.9180179.90112.8
233S53.5Low49.8Very low88 Ų88128.6 Ų128.662%0.61570%0.696SS**G310 helixtrans-75.3-19.1-178.274.40000114.4D231D231-S233 PolarHBondContact O-N 3.12Å; D231-S233 VanDerWaalsContact O-N 3.14Å; D231-S233 WeakPolarHBondContact OD1-CB 3.42Å; D231-S233 PolarHBondContact OD1-N 3.46Å; D231-S233 VanDerWaalsContact OD1-N 3.09Å; D231-S233 PolarHBondContact OD1-OG 3.23Å; D231-S233 VanDerWaalsContact OD1-OG 3.09Å; D231-S233 PolarHBondContact OD2-OG 3.39Å
234L54.3Low50.1Low123 Ų123127.7 Ų127.764%0.64469%0.688SS**G310 helixtrans-92.52.9-170.1-67.8173000115.1D231 L236D231-L234 HydrophobicContact CB-CD1 4.47Å; D231-L234 PolarHBondContact O-N 3.29Å; L234-L236 PolarHBondContact O-N 3.03Å
235G49.4Very low50.1Low75 Ų75127 Ų12777%0.77367%0.669SS**  trans59.822.2171.400000115.6
236L52.4Low50.1Low134 Ų134129 Ų12970%0.70268%0.677SS**  trans-79.5129.1176.1-76.4161.6000110L234L234-L236 PolarHBondContact O-N 3.03Å
237E52.6Low49.9Very low173 Ų173130.1 Ų130.181%0.80869%0.689SS**  trans-49.3140.6-179.8-77.7-107.7135.600112.8C239E237-C239 PolarHBondContact O-N 2.66Å
238E50.7Low49.6Very low187 Ų187125.2 Ų125.287%0.87468%0.676SS**  trans-70.599179.4-161.9167.4-153.900109.4D240E238-D240 PolarHBondContact O-N 3.37Å
239C50.4Low49.5Very low88 Ų88120.6 Ų120.660%0.59567%0.673SS**  trans-64.4127.5178.7-69.80000111.2E237 T241E237-C239 PolarHBondContact O-N 2.66Å; C239-T241 PolarHBondContact O-N 3.37Å
240D46.3Very low49.4Very low103 Ų103116.5 Ų116.555%0.55166%0.656SS**  trans-49.9115.7175.7-176.15000112E238 S242E238-D240 PolarHBondContact O-N 3.37Å; D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 WeakPolarHBondContact OD1-CB 3.46Å; D240-S242 PolarHBondContact OD1-N 3.5Å; D240-S242 PolarHBondContact OD1-OG 3.37Å; D240-S242 PolarHBondContact OD2-OG 3.37Å
241T52.2Low49.4Very low113 Ų113117 Ų11769%0.69367%0.667SS**THydrogen-bonded Turntrans-81.9-4178.2480000113.5C239 T243C239-T241 PolarHBondContact O-N 3.37Å; T241-T243 VanDerWaalsContact C-N 3.33Å
242S51.9Low49.3Very low89 Ų89121.1 Ų121.162%0.62268%0.68SS**THydrogen-bonded Turntrans-73.2-26-179.277.20000112.7D240D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 WeakPolarHBondContact OD1-CB 3.46Å; D240-S242 PolarHBondContact OD1-N 3.5Å; D240-S242 PolarHBondContact OD1-OG 3.37Å; D240-S242 PolarHBondContact OD2-OG 3.37Å
243T49.8Very low49Very low105 Ų105119.8 Ų119.864%0.64468%0.679SS**  trans-100.999.3179.453.40000111.5T241 S245T241-T243 VanDerWaalsContact C-N 3.33Å; T243-S245 PolarHBondContact O-N 3.32Å
244V49.7Very low48.5Very low105 Ų105118.5 Ų118.564%0.63667%0.674SS**  trans-74.7115.9169.7-178.20000108.5M248V244-M248 HydrophobicContact CG1-CB 3.9Å
245S48Very low48.3Very low70 Ų70116.4 Ų116.449%0.4967%0.669SS.*  trans-64.6139.3175.355.30000110.5T243 Q247 M248T243-S245 PolarHBondContact O-N 3.32Å; S245-Q247 PolarHBondContact O-N 3.5Å; S245-M248 WeakPolarHBondContact O-CB 3.37Å; S245-M248 PolarHBondContact O-N 3.08Å
246L46.7Very low48.2Very low118 Ų118120.6 Ų120.662%0.61867%0.669SS**THydrogen-bonded Turntrans-57.4-15.8-179-105.892000114.4M248L246-M248 VanDerWaalsContact C-N 3.34Å
247Q42.7Very low47.7Very low182 Ų182122.2 Ų122.285%0.8567%0.673SS**THydrogen-bonded Turntrans-76.3-22.5175.7-162.6177.2-9.100112.4S245 G249S245-Q247 PolarHBondContact O-N 3.5Å; Q247-G249 PolarHBondContact O-N 3.27Å
248M45.5Very low47.7Very low116 Ų116118 Ų11857%0.57168%0.676SS**SBendtrans-81.898.6167.5-65.7-83.7-102.600107V244 S245 L246 T250V244-M248 HydrophobicContact CG1-CB 3.9Å; S245-M248 WeakPolarHBondContact O-CB 3.37Å; S245-M248 PolarHBondContact O-N 3.08Å; L246-M248 VanDerWaalsContact C-N 3.34Å; M248-T250 PolarHBondContact O-N 3.06Å
249G48Very low47.4Very low66 Ų66113.4 Ų113.468%0.6866%0.655SS**  trans-46.6125.5-179.700000111.7Q247Q247-G249 PolarHBondContact O-N 3.27Å
250T44.5Very low47.5Very low71 Ų71112 Ų11244%0.43664%0.644SS.*  trans-90.2136.1-177.8107.20000109.6M248 K252M248-T250 PolarHBondContact O-N 3.06Å; T250-K252 PolarHBondContact O-N 3.04Å; T250-K252 PolarHBondContact OG1-N 3.36Å
251N49.9Very low47.5Very low141 Ų141111.7 Ų111.775%0.75465%0.646SS**THydrogen-bonded Turntrans-75.8-3.1171.861.3-13.8000113.4M253N251-M253 VanDerWaalsContact C-N 3.31Å; N251-M253 PolarHBondContact O-N 3.44Å
252K44.5Very low47.1Very low188 Ų188113.8 Ų113.882%0.81764%0.642SS**THydrogen-bonded Turntrans-73.3-19.6-175.3-65.1-173.9178-178.60114T250T250-K252 PolarHBondContact O-N 3.04Å; T250-K252 PolarHBondContact OG1-N 3.36Å
253M45.6Very low46.8Very low181 Ų181113.3 Ų113.389%0.89265%0.652SS**SBendtrans-120.9-8.7-179.9-61.7-174179.500113.6N251 S255N251-M253 VanDerWaalsContact C-N 3.31Å; N251-M253 PolarHBondContact O-N 3.44Å; M253-S255 PolarHBondContact O-N 3.03Å
254A42.6Very low46.4Very low60 Ų60113.6 Ų113.650%0.49665%0.649SS.*  trans-82.8101.117900000109.7Q256A254-Q256 PolarHBondContact O-N 3.46Å
255S50.3Low46.3Very low79 Ų79113.9 Ų113.955%0.55265%0.653SS**  trans-70.6122.8169.5179.40000109.7M253 Q257M253-S255 PolarHBondContact O-N 3.03Å; S255-Q257 PolarHBondContact O-N 3.15Å; S255-Q257 WeakPolarHBondContact OG-CB 3.28Å; S255-Q257 PolarHBondContact OG-N 3.36Å
256Q47.8Very low46.2Very low164 Ų164117.9 Ų117.977%0.76666%0.657SS**  trans-75.4-3.4173.4-109.4179.658.900113.1A254 G258 M259A254-Q256 PolarHBondContact O-N 3.46Å; Q256-G258 PolarHBondContact O-N 3.44Å; Q256-G258 VanDerWaalsContact O-N 3.12Å; Q256-M259 HydrophobicContact CG-SD 4.41Å; Q256-M259 PolarHBondContact O-N 3.03Å; Q256-M259 VanDerWaalsContact O-N 3.13Å
257Q41.9Very low46.3Very low168 Ų168121.4 Ų121.479%0.78567%0.671SS**THydrogen-bonded Turntrans-62.2117178.6-75.3-175.1-32.500110.7S255S255-Q257 PolarHBondContact O-N 3.15Å; S255-Q257 WeakPolarHBondContact OG-CB 3.28Å; S255-Q257 PolarHBondContact OG-N 3.36Å
258G52.4Low46.6Very low84 Ų84118.9 Ų118.987%0.86667%0.667SS**THydrogen-bonded Turntrans933.2179.700000115.4Q256Q256-G258 PolarHBondContact O-N 3.44Å; Q256-G258 VanDerWaalsContact O-N 3.12Å
259M45.2Very low46.6Very low90 Ų90118.9 Ų118.944%0.44366%0.662SS.*PPolyproline II helixtrans-80.4131.7170.6-66.3-159.274.400110.9Q177 Q256 T261Q177-M259 HydrophobicContact CG-CE 4.45Å; Q256-M259 HydrophobicContact CG-SD 4.41Å; Q256-M259 PolarHBondContact O-N 3.03Å; Q256-M259 VanDerWaalsContact O-N 3.13Å; M259-T261 PolarHBondContact O-N 3.24Å
260T51.6Low46.7Very low58 Ų58119.6 Ų119.636%0.35665%0.65SS.*PPolyproline II helixtrans-75.8120173.650.30000109.9R266T260-R266 HydrophobicContact CG2-CG 4.35Å; T260-R266 PolarHBondContact OG1-NH2 2.93Å
261T45.8Very low46.7Very low97 Ų97121.7 Ų121.760%0.59566%0.659SS**PPolyproline II helixtrans-56.3142.9175.5-39.20000110.7M259 G263 L264M259-T261 PolarHBondContact O-N 3.24Å; T261-G263 PolarHBondContact O-N 3.4Å; T261-G263 VanDerWaalsContact O-N 3.12Å; T261-L264 PolarHBondContact O-N 3.23Å; T261-L264 VanDerWaalsContact O-N 3.12Å
262Y43.7Very low46.7Very low157 Ų157122.5 Ų122.562%0.61666%0.655SS**THydrogen-bonded Turntrans-50.6120.9175.4-103.4-89.2000110.3S182 Y183S182-Y262 WeakPolarHBondContact OG-CD2 3.5Å; S182-Y262 WeakPolarHBondContact OG-CE1 3.45Å; S182-Y262 WeakPolarHBondContact OG-CE2 3.23Å; S182-Y262 PolarHBondContact OG-OH 3.28Å; Y183-Y262 VanDerWaalsContact O-CE1 3.28Å; Y183-Y262 WeakPolarHBondContact O-CE1 3.35Å; Y183-Y262 PolarHBondContact O-OH 2.82Å
263G47.3Very low46.8Very low80 Ų80121.9 Ų121.983%0.82565%0.649SS**THydrogen-bonded Turntrans91.7-3.1176.300000116.5T261T261-G263 PolarHBondContact O-N 3.4Å; T261-G263 VanDerWaalsContact O-N 3.12Å
264L40.8Very low46.7Very low111 Ų111115.7 Ų115.758%0.58162%0.623SS**PPolyproline II helixtrans-77.8127.9173-80.9173000111.4T261T261-L264 PolarHBondContact O-N 3.23Å; T261-L264 VanDerWaalsContact O-N 3.12Å
265P47.3Very low47Very low111 Ų111118.5 Ų118.572%0.72164%0.639SS**PPolyproline II helixtrans-66.1141169.226.5-30.3000109.9
266R46.2Very low46.9Very low153 Ų153119.4 Ų119.458%0.57764%0.638SS**PPolyproline II helixtrans-77.7130171-68-173.5179.7-124.1-5.1108.5T260 V268T260-R266 HydrophobicContact CG2-CG 4.35Å; T260-R266 PolarHBondContact OG1-NH2 2.93Å; R266-V268 PolarHBondContact O-N 3.15Å
267Q47.9Very low46.8Very low193 Ų193116.3 Ų116.390%0.90263%0.632SS**PPolyproline II helixtrans-61.3122.7169.2-86.6177-19.200109Y269Q267-Y269 PolarHBondContact O-N 2.97Å
268V50.1Low47.1Very low129 Ų129115.4 Ų115.478%0.78263%0.632SS**  trans-95.182.3171.1-175.20000106.4R266R266-V268 PolarHBondContact O-N 3.15Å
269Y45.8Very low46.6Very low116 Ų116119.3 Ų119.346%0.45563%0.628SS.*  trans-128.9107162.6-160.7-89.7000107Q267 C274 S275Q267-Y269 PolarHBondContact O-N 2.97Å; Y269-C274 HydrophobicContact CD2-CB 3.95Å; Y269-C274 HydrophobicContact CE1-CB 4.09Å; Y269-C274 HydrophobicContact CE2-CB 3.38Å; Y269-C274 VanDerWaalsContact CZ-CB 3.47Å; Y269-S275 PolarHBondContact OH-O 3.3Å
270D49.1Very low46.3Very low80 Ų80124.5 Ų124.543%0.42865%0.648SS.*  trans-105.7114.8170.5-173.2-13.5000106.8K272 Y273 C274D270-K272 PolarHBondContact O-N 3.36Å; D270-K272 VanDerWaalsContact OD1-CB 3.23Å; D270-K272 WeakPolarHBondContact OD1-CB 3.47Å; D270-K272 PolarHBondContact OD1-N 3.22Å; D270-Y273 HydrophobicContact CB-CD2 4.03Å; D270-Y273 PolarHBondContact O-N 3.2Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.42Å; D270-Y273 WeakPolarHBondContact OD2-CE2 3.38Å; D270-C274 PolarHBondContact O-N 3.24Å; D270-C274 VanDerWaalsContact O-N 3.15Å
271N45.8Very low45.7Very low116 Ų116127.2 Ų127.262%0.6267%0.665SS**THydrogen-bonded Turntrans-62.4-9.7-178.9-158.728.3000112.6
272K49.9Very low45.3Very low158 Ų158129.8 Ų129.869%0.68768%0.675SS**THydrogen-bonded Turntrans-79.7-18173.5-159.5178-176.6-175.30113.4D270D270-K272 PolarHBondContact O-N 3.36Å; D270-K272 VanDerWaalsContact OD1-CB 3.23Å; D270-K272 WeakPolarHBondContact OD1-CB 3.47Å; D270-K272 PolarHBondContact OD1-N 3.22Å
273Y45.1Very low45.1Very low175 Ų175130 Ų13069%0.68669%0.686SS**THydrogen-bonded Turntrans-133.10.3-172.4-56.5-71.2000114.6D270D270-Y273 HydrophobicContact CB-CD2 4.03Å; D270-Y273 PolarHBondContact O-N 3.2Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.42Å; D270-Y273 WeakPolarHBondContact OD2-CE2 3.38Å
274C44.3Very low44.8Very low51 Ų51128.8 Ų128.835%0.34567%0.674SS.*SBendtrans-126.4132.1176.2-60.40000110.3Y269 D270Y269-C274 HydrophobicContact CD2-CB 3.95Å; Y269-C274 HydrophobicContact CE1-CB 4.09Å; Y269-C274 HydrophobicContact CE2-CB 3.38Å; Y269-C274 VanDerWaalsContact CZ-CB 3.47Å; D270-C274 PolarHBondContact O-N 3.24Å; D270-C274 VanDerWaalsContact O-N 3.15Å
275S49.8Very low44.5Very low118 Ų118133.1 Ų133.183%0.82569%0.691SS**  trans-73143.2174.4-52.40000111.2Y269Y269-S275 PolarHBondContact OH-O 3.3Å
276N46.7Very low43.8Very low99 Ų99139.2 Ų139.253%0.52970%0.7SS.*  trans-62138.5-179.6-114.4-13.4000111D278N276-D278 PolarHBondContact O-N 2.92Å
277P45.7Very low43.2Very low99 Ų99136.5 Ų136.564%0.64371%0.71SS**THydrogen-bonded Turntrans-71.9-7.6179.8-6.120.1000114.7
278D48.5Very low42.5Very low148 Ų148136.6 Ų136.679%0.79171%0.711SS**THydrogen-bonded Turntrans-95.60.2-172.5-69.7-33.6000114.8N276 F280N276-D278 PolarHBondContact O-N 2.92Å; D278-F280 PolarHBondContact O-N 3.38Å
279E42Very low41.8Very low166 Ų166139.5 Ų139.578%0.77671%0.713SS**  trans-96.875.7172.9-75.1-172.9172.100111.5V281E279-V281 PolarHBondContact O-N 3.32Å
280F39.3Very low41.1Very low200 Ų200141.5 Ų141.588%0.87773%0.732SS**  trans-74.396.9154.2-91.3-91.2000108.5D278 N282D278-F280 PolarHBondContact O-N 3.38Å; F280-N282 PolarHBondContact O-N 3.07Å
281V38.6Very low40.5Very low115 Ų115140 Ų14070%0.69774%0.735SS**  trans-77.2110.8165.1-178.10000108.1E279 N283E279-V281 PolarHBondContact O-N 3.32Å; V281-N283 PolarHBondContact O-N 3.06Å
282N37.8Very low39.9Very low150 Ų150141 Ų14180%0.80275%0.745SS**  trans-61.4109.2170.8-170.3-6.5000109.3F280 G284F280-N282 PolarHBondContact O-N 3.07Å; N282-G284 PolarHBondContact O-N 3.21Å
283N38.9Very low39.1Very low161 Ų161142.2 Ų142.286%0.86176%0.756SS**  trans-74.592.9175.7-90.5-18.2000109.9V281V281-N283 PolarHBondContact O-N 3.06Å
284G40.4Very low38.6Very low56 Ų56144.1 Ų144.158%0.57776%0.763SS**  trans166.477.5168.700000113.4N282N282-G284 PolarHBondContact O-N 3.21Å
285E35.2Very low38.3Very low201 Ų201151.6 Ų151.694%0.93979%0.786SS**  -174.4146.5123.1-99.3170.6-173.200111.1
286R33.1Very low37.5Very low240 Ų240157 Ų15791%0.90681%0.806SS**  trans-55.6131.1-165.7-141.6167.2-176.5163.9-2.1112.9E288R286-E288 PolarHBondContact O-N 3.46Å
287A32.8Very low37.1Very low95 Ų95159.9 Ų159.979%0.78582%0.819SS**  trans-66.2124.716500000110.2
288E32.8Very low36.6Very low196 Ų196163.1 Ų163.192%0.91683%0.829SS**  trans-93.7115.1157.5-77.5-173167.300108.5R286R286-E288 PolarHBondContact O-N 3.46Å
289F35.8Very low36Very low190 Ų190163.9 Ų163.983%0.83383%0.831SS**  trans-79.5126.1177.2173.4-89.6000108.1
290D32Very low35.6Very low157 Ų157163.8 Ų163.884%0.8483%0.834SS**  trans-130.9102.3166.5-145.23.3000110.7
291G35.1Very low35.4Very low49 Ų49161.6 Ų161.651%0.50583%0.831SS.*  trans-100.4115.517100000108.7M293G291-M293 PolarHBondContact O-N 3.46Å
292T33.5Very low35.2Very low136 Ų136164.7 Ų164.783%0.83484%0.84SS**  trans-74.8120.4177.651.40000111.3
293M33.7Very low35Very low184 Ų184165.7 Ų165.791%0.90684%0.843SS**  trans-124.3147.9162.6-84.9-84.8-89.800109.8G291G291-M293 PolarHBondContact O-N 3.46Å
294Y34.5Very low34.7Very low215 Ų215166.1 Ų166.184%0.84384%0.842SS**  trans-64.4143.2-166.1-90.5-107.4000117.5
295Y37.8Very low34.2Very low209 Ų209175.3 Ų175.382%0.8286%0.864SS**  trans29.5136.3144-81.2-91.1000124.4
296D34.3Very low34.1Very low231 Ų231172.9 Ų172.9100%1.23586%0.857SS**  trans74.70167-68-17.2000119.9

Retrieved 296 of 296 residues in 612.8 ms (Link to these results)

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