A0A060XMT8_ONCMY Loading...

Chromosome 5 C9orf78 homolog

AlphaFold DB , UniProt , Accession A0A060XMT8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene c5h9orf78, Length 295 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
1M46.4Very low58.1Low234 Ų234181.7 Ų181.7100%1.15386%0.861SS**  0117.50-65.2-61.2-179.500107.8
2P49.5Very low57.6Low130 Ų130180.2 Ų180.284%0.84485%0.853SS**PPolyproline II helixtrans-76.4137.9-177.231.2-31.3000110.6
3S55.7Low56.4Low115 Ų115171.8 Ų171.880%0.80483%0.826SS**PPolyproline II helixtrans-68.9128.3177.348.20000111K5S3-K5 PolarHBondContact O-N 2.84Å
4G62Low55.8Low71 Ų71168.6 Ų168.673%0.73283%0.83SS**PPolyproline II helixtrans-66.4129.3178.600000111.7
5K66.8Low55.2Low179 Ų179161.5 Ų161.578%0.77880%0.804SS**PPolyproline II helixtrans-78.1127173.1-65.8176.6-179.1177.60109.3S3 F7S3-K5 PolarHBondContact O-N 2.84Å; K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 WeakPolarHBondContact O-CD2 3.46Å
6N64.6Low55.1Low157 Ų157159.1 Ų159.184%0.8480%0.795SS**PPolyproline II helixtrans-82.4116.7176.7-69.3-23.4000110.6
7F57Low55Low195 Ų195160.1 Ų160.186%0.85580%0.796SS**  trans-90.111.9-175.3-77-79.2000115.6K5K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 WeakPolarHBondContact O-CD2 3.46Å
8R63.5Low54.9Low244 Ų244158.9 Ų158.992%0.92179%0.788SS**  trans-108.794.9176.6-70.1-175.6-178.3-178.70.5110.1
9R61.6Low55Low244 Ų244156.7 Ų156.792%0.92178%0.775SS**PPolyproline II helixtrans-89.2125.8159.3-72.2-175.892.5118.5-2108R11R9-R11 PolarHBondContact O-N 3.35Å
10R55.5Low55.3Low210 Ų210154 Ų15479%0.79276%0.764SS**PPolyproline II helixtrans-65.4127.2166.2-163.2178.295103.71.9107.2E12R10-E12 IonicContact CZ-OE1 2.73Å; R10-E12 IonicContact NH2-OE1 3.8Å; R10-E12 PolarHBondContact NH2-OE1 3.18Å
11R56.2Low55.7Low220 Ų220153 Ų15383%0.8376%0.757SS**PPolyproline II helixtrans-76.8125.8173.8-155.2178.2-169.7172.40.1107.1R9R9-R11 PolarHBondContact O-N 3.35Å
12E52.6Low56.7Low163 Ų163146.7 Ų146.776%0.76273%0.727SS**  trans-97.4105.3167.9-136.9125.6-121.700105.4R10R10-E12 IonicContact CZ-OE1 2.73Å; R10-E12 IonicContact NH2-OE1 3.8Å; R10-E12 PolarHBondContact NH2-OE1 3.18Å
13S41.6Very low58.1Low72 Ų72143.2 Ų143.250%0.50370%0.703SS.*  trans-152.4104.9167.961.70000106.3
14S48.3Very low59.3Low126 Ų126140.3 Ų140.388%0.88169%0.687SS**  62.473.480.5-169.90000110.9
15S46.2Very low60.4Low63 Ų63141.9 Ų141.944%0.44168%0.675SS.*  trans-170.374150-158.50000107.8E17S15-E17 PolarHBondContact O-N 3.08Å
16D53.7Low61.4Low123 Ų123136.8 Ų136.866%0.65866%0.659SS**Hα-helixtrans-71.5-24.8-170.2-93.4-20.1000113.5D20D16-D20 WeakPolarHBondContact O-CB 3.41Å; D16-D20 VanDerWaalsContact O-CG 3.24Å; D16-D20 PolarHBondContact O-N 3.46Å
17E54.5Low62.6Low176 Ų176137.3 Ų137.382%0.82265%0.649SS**Hα-helixtrans-81.9-34.8-172.3-69180-179.900113.7S15S15-E17 PolarHBondContact O-N 3.08Å
18E53.5Low64.2Low139 Ų139130.8 Ų130.865%0.6563%0.627SS**Hα-helixtrans-84.7-29.5177.9-69-174.4177.600112.9I22E18-I22 WeakPolarHBondContact O-CD1 3.27Å; E18-I22 VanDerWaalsContact O-CG1 3.27Å; E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 2.91Å
19E56.1Low65.7Low116 Ų116125.1 Ų125.154%0.54261%0.61SS.*Hα-helixtrans-68.1-36174.4-82.8-171169.400111.6E21 I22 T23E19-E21 PolarHBondContact O-N 3.5Å; E19-I22 PolarHBondContact O-N 3.48Å; E19-T23 WeakPolarHBondContact O-CB 3.24Å; E19-T23 WeakPolarHBondContact O-CG2 3.2Å; E19-T23 PolarHBondContact O-N 3.44Å; E19-T23 PolarHBondContact O-OG1 2.58Å
20D60.3Low67.2Low102 Ų102118.1 Ų118.155%0.54559%0.59SS.*Hα-helixtrans-64-40.9179.3-82-21000112.4D16 T23 A24D16-D20 WeakPolarHBondContact O-CB 3.41Å; D16-D20 VanDerWaalsContact O-CG 3.24Å; D16-D20 PolarHBondContact O-N 3.46Å; D20-T23 PolarHBondContact O-N 3.46Å; D20-T23 PolarHBondContact O-OG1 2.94Å; D20-A24 WeakPolarHBondContact O-CB 3.4Å; D20-A24 PolarHBondContact O-N 2.7Å
21E64.1Low68.9Low135 Ų135111.8 Ų111.863%0.63157%0.571SS**Hα-helixtrans-68.2-43.1177.3-164.5165.5-154.100111.6E19 T23 A24 E25E19-E21 PolarHBondContact O-N 3.5Å; E21-T23 VanDerWaalsContact C-N 3.31Å; E21-T23 PolarHBondContact O-N 2.91Å; E21-A24 PolarHBondContact O-N 3.05Å; E21-E25 PolarHBondContact O-N 2.75Å
22I68.6Low70.7Confident101 Ų101106.7 Ų106.752%0.51856%0.557SS.*Hα-helixtrans-62.3-39.5174.6-63.5165.5000110.7E18 E19 V26E18-I22 WeakPolarHBondContact O-CD1 3.27Å; E18-I22 VanDerWaalsContact O-CG1 3.27Å; E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 2.91Å; E19-I22 PolarHBondContact O-N 3.48Å; I22-V26 HydrophobicContact CG2-CG2 4.48Å; I22-V26 WeakPolarHBondContact O-CB 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.08Å
23T78.3Confident72.6Confident56 Ų56101.3 Ų101.334%0.34454%0.541SS..Hα-helixtrans-70.2-33.3178.371.30000112.4E19 D20 E21 R27E19-T23 WeakPolarHBondContact O-CB 3.24Å; E19-T23 WeakPolarHBondContact O-CG2 3.2Å; E19-T23 PolarHBondContact O-N 3.44Å; E19-T23 PolarHBondContact O-OG1 2.58Å; D20-T23 PolarHBondContact O-N 3.46Å; D20-T23 PolarHBondContact O-OG1 2.94Å; E21-T23 VanDerWaalsContact C-N 3.31Å; E21-T23 PolarHBondContact O-N 2.91Å; T23-R27 WeakPolarHBondContact O-CB 3.46Å; T23-R27 VanDerWaalsContact O-CG 3.24Å; T23-R27 WeakPolarHBondContact O-CG 3.29Å; T23-R27 PolarHBondContact O-N 2.66Å
24A80.9Confident75.1Confident55 Ų55103.5 Ų103.546%0.45554%0.541SS..Hα-helixtrans-67.5-44.5174.600000111.6D20 E21 V26 R27 S28D20-A24 WeakPolarHBondContact O-CB 3.4Å; D20-A24 PolarHBondContact O-N 2.7Å; E21-A24 PolarHBondContact O-N 3.05Å; A24-V26 VanDerWaalsContact C-N 3.35Å; A24-V26 PolarHBondContact O-N 2.7Å; A24-R27 PolarHBondContact O-N 3.08Å; A24-S28 PolarHBondContact O-N 3.18Å
25E84.6Confident77.3Confident104 Ų104103.6 Ų103.649%0.48653%0.528SS..Hα-helixtrans-61.8-41.4174.4-73.5-170.9-175.200112.5E21 R27 S28 K29E21-E25 PolarHBondContact O-N 2.75Å; E25-R27 VanDerWaalsContact C-N 3.34Å; E25-S28 PolarHBondContact O-N 3.16Å; E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 3.35Å; E25-K29 IonicContact OE2-NZ 2.7Å
26V88.2Confident79.5Confident72 Ų72105.4 Ų105.444%0.43653%0.532SS..Hα-helixtrans-66.2-38177.11710000111.1I22 A24 L30I22-V26 HydrophobicContact CG2-CG2 4.48Å; I22-V26 WeakPolarHBondContact O-CB 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.08Å; A24-V26 VanDerWaalsContact C-N 3.35Å; A24-V26 PolarHBondContact O-N 2.7Å; V26-L30 HydrophobicContact CG1-CD1 4.32Å; V26-L30 WeakPolarHBondContact O-CB 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.16Å
27R90.3Very high81.3Confident167 Ų167105.2 Ų105.263%0.6353%0.527SS*.Hα-helixtrans-64.1-45.7174-76.4170.9-177.2169.56111.7T23 A24 E25 K29 L30 D31T23-R27 WeakPolarHBondContact O-CB 3.46Å; T23-R27 VanDerWaalsContact O-CG 3.24Å; T23-R27 WeakPolarHBondContact O-CG 3.29Å; T23-R27 PolarHBondContact O-N 2.66Å; A24-R27 PolarHBondContact O-N 3.08Å; E25-R27 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.42Å; R27-L30 WeakPolarHBondContact O-CB 3.35Å; R27-L30 PolarHBondContact O-N 3.08Å; R27-L30 VanDerWaalsContact O-N 3.16Å; R27-D31 VanDerWaalsContact O-CG 3.3Å; R27-D31 PolarHBondContact O-N 2.77Å
28S90.6Very high82.9Confident58 Ų5899.9 Ų99.941%0.40651%0.509SS..Hα-helixtrans-58-49175.9165.70000111.8A24 E25 L30 D31 E32A24-S28 PolarHBondContact O-N 3.18Å; E25-S28 PolarHBondContact O-N 3.16Å; S28-L30 VanDerWaalsContact C-N 3.29Å; S28-L30 PolarHBondContact O-N 3.21Å; S28-D31 PolarHBondContact O-N 2.89Å; S28-D31 VanDerWaalsContact O-N 3.13Å; S28-E32 WeakPolarHBondContact O-CG 3.27Å; S28-E32 PolarHBondContact O-N 3.27Å
29K93.5Very high84.6Confident126 Ų126100 Ų10055%0.54851%0.514SS..Hα-helixtrans-61.7-35.4176.2-71.6170.1-176.4158.30112.8E25 R27 A33E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 3.35Å; E25-K29 IonicContact OE2-NZ 2.7Å; R27-K29 PolarHBondContact O-N 3.42Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.48Å; K29-A33 VanDerWaalsContact O-N 3.07Å
30L93.9Very high86.2Confident97 Ų97104.2 Ų104.251%0.50852%0.524SS..Hα-helixtrans-69.4-37.7174.9-80.2176.9000112.4V26 R27 S28 A33 K34V26-L30 HydrophobicContact CG1-CD1 4.32Å; V26-L30 WeakPolarHBondContact O-CB 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.16Å; R27-L30 WeakPolarHBondContact O-CB 3.35Å; R27-L30 PolarHBondContact O-N 3.08Å; R27-L30 VanDerWaalsContact O-N 3.16Å; S28-L30 VanDerWaalsContact C-N 3.29Å; S28-L30 PolarHBondContact O-N 3.21Å; L30-A33 PolarHBondContact O-N 3.37Å; L30-K34 VanDerWaalsContact O-CG 3.31Å; L30-K34 WeakPolarHBondContact O-CG 3.31Å; L30-K34 PolarHBondContact O-N 2.87Å
31D91.9Very high87.6Confident76 Ų76106.4 Ų106.441%0.40653%0.529SS..Hα-helixtrans-71.8-41.3179-68.2-22.9000111R27 S28 A33 K34 E35R27-D31 VanDerWaalsContact O-CG 3.3Å; R27-D31 PolarHBondContact O-N 2.77Å; S28-D31 PolarHBondContact O-N 2.89Å; S28-D31 VanDerWaalsContact O-N 3.13Å; D31-A33 VanDerWaalsContact C-N 3.3Å; D31-A33 PolarHBondContact O-N 3.48Å; D31-K34 WeakPolarHBondContact O-CB 3.13Å; D31-K34 PolarHBondContact O-N 3.31Å; D31-K34 VanDerWaalsContact O-N 3.14Å; D31-K34 IonicContact OD1-NZ 2.58Å; D31-K34 PolarHBondContact OD1-NZ 2.86Å; D31-E35 WeakPolarHBondContact O-CG 3.39Å; D31-E35 PolarHBondContact O-N 2.9Å
32E93.7Very high88.5Confident113 Ų113111 Ų11153%0.52854%0.541SS..Hα-helixtrans-55.7-43.5168.6-71.7176.4-172.500112S28 E35 L36S28-E32 WeakPolarHBondContact O-CG 3.27Å; S28-E32 PolarHBondContact O-N 3.27Å; E32-E35 PolarHBondContact O-N 2.73Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.46Å
33A92.7Very high89Confident51 Ų51115.6 Ų115.642%0.42156%0.56SS.*Hα-helixtrans-67-37.3177.500000112.7K29 L30 D31 L36 Q37K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.48Å; K29-A33 VanDerWaalsContact O-N 3.07Å; L30-A33 PolarHBondContact O-N 3.37Å; D31-A33 VanDerWaalsContact C-N 3.3Å; D31-A33 PolarHBondContact O-N 3.48Å; A33-L36 PolarHBondContact O-N 3.1Å; A33-Q37 WeakPolarHBondContact O-CB 3.37Å; A33-Q37 PolarHBondContact O-N 3.45Å
34K94.5Very high89.1Confident118 Ų118118.5 Ų118.551%0.51358%0.578SS.*Hα-helixtrans-66.6-37174.3-74.4172-161.8153.80111.7L30 D31 Q37 S38L30-K34 VanDerWaalsContact O-CG 3.31Å; L30-K34 WeakPolarHBondContact O-CG 3.31Å; L30-K34 PolarHBondContact O-N 2.87Å; D31-K34 WeakPolarHBondContact O-CB 3.13Å; D31-K34 PolarHBondContact O-N 3.31Å; D31-K34 VanDerWaalsContact O-N 3.14Å; D31-K34 IonicContact OD1-NZ 2.58Å; D31-K34 PolarHBondContact OD1-NZ 2.86Å; K34-Q37 WeakPolarHBondContact O-CB 3.27Å; K34-Q37 PolarHBondContact O-N 3.44Å; K34-S38 WeakPolarHBondContact O-CB 3.43Å; K34-S38 PolarHBondContact O-N 2.97Å
35E92.8Very high89Confident128 Ų128118.9 Ų118.960%0.59859%0.587SS**Hα-helixtrans-66-44.9174.6-73.4-177.4178.400111.6D31 E32 Q37 S38 L39D31-E35 WeakPolarHBondContact O-CG 3.39Å; D31-E35 PolarHBondContact O-N 2.9Å; E32-E35 PolarHBondContact O-N 2.73Å; E35-Q37 PolarHBondContact O-N 3.42Å; E35-S38 PolarHBondContact O-N 2.86Å; E35-S38 VanDerWaalsContact O-N 3.08Å; E35-S38 PolarHBondContact O-OG 3.46Å; E35-L39 WeakPolarHBondContact O-CG 3.31Å; E35-L39 PolarHBondContact O-N 2.96Å
36L92.4Very high88.7Confident100 Ų100118.6 Ų118.652%0.52459%0.592SS.*Hα-helixtrans-60.7-35.3172.8-71.6175.9000112.2E32 A33 R40E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.46Å; A33-L36 PolarHBondContact O-N 3.1Å; L36-R40 VanDerWaalsContact O-CG 3.31Å; L36-R40 WeakPolarHBondContact O-CG 3.15Å; L36-R40 PolarHBondContact O-N 2.75Å
37Q91.4Very high88.3Confident120 Ų120117.7 Ų117.756%0.56159%0.589SS**Hα-helixtrans-68.7-39.8173.9-168.7-176.723.900111.7A33 K34 E35 R40 K41A33-Q37 WeakPolarHBondContact O-CB 3.37Å; A33-Q37 PolarHBondContact O-N 3.45Å; K34-Q37 WeakPolarHBondContact O-CB 3.27Å; K34-Q37 PolarHBondContact O-N 3.44Å; E35-Q37 PolarHBondContact O-N 3.42Å; Q37-R40 PolarHBondContact O-N 3.39Å; Q37-K41 WeakPolarHBondContact O-CG 3.46Å; Q37-K41 PolarHBondContact O-N 2.94Å
38S89.9Confident87.5Confident63 Ų63115.1 Ų115.144%0.44159%0.592SS.*Hα-helixtrans-65.1-40.4178.581.90000111.5K34 E35 R40 K41K34-S38 WeakPolarHBondContact O-CB 3.43Å; K34-S38 PolarHBondContact O-N 2.97Å; E35-S38 PolarHBondContact O-N 2.86Å; E35-S38 VanDerWaalsContact O-N 3.08Å; E35-S38 PolarHBondContact O-OG 3.46Å; S38-R40 VanDerWaalsContact C-N 3.27Å; S38-R40 PolarHBondContact O-N 3.15Å; S38-K41 WeakPolarHBondContact O-CB 3.3Å; S38-K41 PolarHBondContact O-N 2.88Å
39L87.8Confident86.8Confident142 Ų142114.4 Ų114.474%0.74359%0.59SS**Hα-helixtrans-65.1-28.5175.2-68.7172.5000113.2E35E35-L39 WeakPolarHBondContact O-CG 3.31Å; E35-L39 PolarHBondContact O-N 2.96Å
40R90.9Very high86.2Confident204 Ų204108.8 Ų108.877%0.7757%0.567SS**Hα-helixtrans-80-17174.1-70.4174.3-169.3-1774.7113.1L36 Q37 S38 R42L36-R40 VanDerWaalsContact O-CG 3.31Å; L36-R40 WeakPolarHBondContact O-CG 3.15Å; L36-R40 PolarHBondContact O-N 2.75Å; Q37-R40 PolarHBondContact O-N 3.39Å; S38-R40 VanDerWaalsContact C-N 3.27Å; S38-R40 PolarHBondContact O-N 3.15Å; R40-R42 PolarHBondContact O-N 2.94Å
41K87.9Confident85.4Confident148 Ų148110 Ų11064%0.64357%0.573SS**SBendtrans-67123.7175.3-69.5176.9-177.2178.80108Q37 S38Q37-K41 WeakPolarHBondContact O-CG 3.46Å; Q37-K41 PolarHBondContact O-N 2.94Å; S38-K41 WeakPolarHBondContact O-CB 3.3Å; S38-K41 PolarHBondContact O-N 2.88Å
42R84.2Confident84.7Confident232 Ų232113.3 Ų113.388%0.87559%0.59SS**PPolyproline II helixtrans-66.2137.7173.8-64.2-177.7177.7-173.1-1108.6R40 T44R40-R42 PolarHBondContact O-N 2.94Å; R42-T44 PolarHBondContact O-N 3.28Å; R42-T44 VanDerWaalsContact O-N 3.16Å
43Q79.4Confident84.2Confident197 Ų197113.9 Ų113.992%0.92159%0.593SS**PPolyproline II helixtrans-57.2120.4170.758.6-177.3-11.200109.5
44T78.9Confident83.2Confident117 Ų117114.9 Ų114.972%0.71861%0.608SS**PPolyproline II helixtrans-78.5123169.650.40000107.4R42R42-T44 PolarHBondContact O-N 3.28Å; R42-T44 VanDerWaalsContact O-N 3.16Å
45G80.3Confident82.3Confident63 Ų63116 Ų11665%0.64962%0.615SS**PPolyproline II helixtrans-64.8168.8177.500000112.5
46V77.6Confident81Confident98 Ų98119.5 Ų119.559%0.59463%0.628SS**PPolyproline II helixtrans-77.8134173.8-170.90000108.8A50 L51V46-A50 HydrophobicContact CG1-CB 3.7Å; V46-L51 HydrophobicContact CB-CD2 4.19Å; V46-L51 HydrophobicContact CB-CG 4.14Å; V46-L51 HydrophobicContact CG1-CD2 3.94Å; V46-L51 HydrophobicContact CG1-CG 3.79Å
47S79Confident79.5Confident54 Ų54117.6 Ų117.638%0.37862%0.618SS.*PPolyproline II helixtrans-69.2153.2177.165.70000110.8A49 A50 L51S47-A49 PolarHBondContact O-N 3.37Å; S47-A50 PolarHBondContact O-N 3.26Å; S47-A50 VanDerWaalsContact O-N 3.16Å; S47-A50 WeakPolarHBondContact OG-CB 3.31Å; S47-A50 PolarHBondContact OG-N 3.42Å; S47-L51 PolarHBondContact O-N 2.9Å
48V75.4Confident78Confident112 Ų112121.7 Ų121.768%0.67963%0.628SS**Hα-helixtrans-58.7-35.7179.4-179.60000111.4L51 L52V48-L51 PolarHBondContact O-N 3.39Å; V48-L52 HydrophobicContact CG1-CD1 4.14Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.41Å; V48-L52 VanDerWaalsContact O-N 3.11Å
49A75.9Confident76.4Confident44 Ų44125.4 Ų125.436%0.36464%0.643SS.*Hα-helixtrans-65.5-46.5175.500000112.4S47 L51 L52 E53 L57S47-A49 PolarHBondContact O-N 3.37Å; A49-L51 PolarHBondContact O-N 3.3Å; A49-L52 WeakPolarHBondContact O-CB 3.39Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-L52 VanDerWaalsContact O-N 3.07Å; A49-E53 PolarHBondContact O-N 3.22Å; A49-L57 HydrophobicContact CB-CD1 4.02Å
50A78.9Confident74.7Confident8 Ų8126 Ų1267%0.06665%0.647CS.*Hα-helixtrans-65.6-27.8176.900000112.8V46 S47 G54 E55 L57V46-A50 HydrophobicContact CG1-CB 3.7Å; S47-A50 PolarHBondContact O-N 3.26Å; S47-A50 VanDerWaalsContact O-N 3.16Å; S47-A50 WeakPolarHBondContact OG-CB 3.31Å; S47-A50 PolarHBondContact OG-N 3.42Å; A50-G54 WeakPolarHBondContact O-CA 3.4Å; A50-G54 PolarHBondContact O-N 2.91Å; A50-E55 WeakPolarHBondContact CB-O 3.48Å; A50-L57 HydrophobicContact CB-CB 4.42Å; A50-L57 HydrophobicContact CB-CG 4.46Å
51L77.7Confident72.9Confident122 Ų122123.2 Ų123.264%0.63964%0.642SS**Hα-helixtrans-72-34172-73.9171.9000112.9V46 S47 V48 A49V46-L51 HydrophobicContact CB-CD2 4.19Å; V46-L51 HydrophobicContact CB-CG 4.14Å; V46-L51 HydrophobicContact CG1-CD2 3.94Å; V46-L51 HydrophobicContact CG1-CG 3.79Å; S47-L51 PolarHBondContact O-N 2.9Å; V48-L51 PolarHBondContact O-N 3.39Å; A49-L51 PolarHBondContact O-N 3.3Å
52L78.6Confident71Confident145 Ų145118.9 Ų118.976%0.75964%0.639SS**Hα-helixtrans-73.5-42.6177.5-79.5159.8000111.8V48 A49V48-L52 HydrophobicContact CG1-CD1 4.14Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.41Å; V48-L52 VanDerWaalsContact O-N 3.11Å; A49-L52 WeakPolarHBondContact O-CB 3.39Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-L52 VanDerWaalsContact O-N 3.07Å
53E81.2Confident69.5Low126 Ų126110.4 Ų110.459%0.58963%0.625SS**Hα-helixtrans-83.6-20-177.5-69.1172.3-165.300112.9A49 E55 L57A49-E53 PolarHBondContact O-N 3.22Å; E53-E55 PolarHBondContact O-N 3.39Å; E53-L57 WeakPolarHBondContact OE2-CD1 3.45Å; E53-L57 WeakPolarHBondContact OE2-CD2 3.21Å
54G71.8Confident68.4Low72 Ų72107.5 Ų107.574%0.74262%0.615SS**  trans73.83.2-178.900000114.2A50A50-G54 WeakPolarHBondContact O-CA 3.4Å; A50-G54 PolarHBondContact O-N 2.91Å
55E75.8Confident67.4Low142 Ų142107.9 Ų107.966%0.66461%0.613SS**SBendtrans-109.8143.3177.5-165.9170.2177.600111.3A50 E53 L57A50-E55 WeakPolarHBondContact CB-O 3.48Å; E53-E55 PolarHBondContact O-N 3.39Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 2.88Å
56K65.3Low66.7Low200 Ų200106.1 Ų106.187%0.8759%0.589SS**  trans-73.185.7174.8-73.5-175.6-177.7178.10109.5R58K56-R58 PolarHBondContact O-N 3.49Å
57L61.9Low66.2Low61 Ų61104.2 Ų104.232%0.31958%0.578SS.*  trans-56.9129.5169.4-66.5175.4000109.8A49 A50 E53 E55 L59A49-L57 HydrophobicContact CB-CD1 4.02Å; A50-L57 HydrophobicContact CB-CB 4.42Å; A50-L57 HydrophobicContact CB-CG 4.46Å; E53-L57 WeakPolarHBondContact OE2-CD1 3.45Å; E53-L57 WeakPolarHBondContact OE2-CD2 3.21Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 2.88Å; L57-L59 PolarHBondContact O-N 3.43Å
58R60.3Low65.8Low205 Ų205107.2 Ų107.277%0.77459%0.585SS**  trans-60.5127.4170.9-72.4-178.1173.5157.20.4107.1K56 D60 E61K56-R58 PolarHBondContact O-N 3.49Å; R58-D60 PolarHBondContact O-N 2.81Å; R58-E61 PolarHBondContact O-N 2.89Å; R58-E61 VanDerWaalsContact O-N 3.09Å
59L55.5Low65.4Low142 Ų142105 Ų10574%0.74357%0.566SS**THydrogen-bonded Turntrans-60.5-1.2-172.4-134.4105.8000114.7L57L57-L59 PolarHBondContact O-N 3.43Å
60D53.1Low65.2Low155 Ų155110 Ų11083%0.82959%0.586SS**THydrogen-bonded Turntrans-102.62-177.8-148.824.3000113.2R58R58-D60 PolarHBondContact O-N 2.81Å
61E51.4Low64.6Low145 Ų145119 Ų11968%0.67862%0.624SS**  trans-105.130.2173.1-67-179.1-175.700111.7R58 G63R58-E61 PolarHBondContact O-N 2.89Å; R58-E61 VanDerWaalsContact O-N 3.09Å; E61-G63 PolarHBondContact O-N 2.7Å
62G47.8Very low64.3Low56 Ų56117.9 Ų117.958%0.57762%0.622SS**SBendtrans-61.397.4156.800000106.9D64G62-D64 VanDerWaalsContact C-N 3.33Å; G62-D64 PolarHBondContact O-N 2.83Å
63G52.9Low63.6Low55 Ų55114 Ų11457%0.56762%0.617SS**  trans-50.294.6-174.300000111.9E61 N65E61-G63 PolarHBondContact O-N 2.7Å; G63-N65 PolarHBondContact O-N 3.06Å; G63-N65 PolarHBondContact O-ND2 2.95Å
64D58.1Low63.3Low135 Ų135110.1 Ų110.172%0.72261%0.611SS**  trans-67.981.1164.3-80.7-24.2000106.6G62 D66G62-D64 VanDerWaalsContact C-N 3.33Å; G62-D64 PolarHBondContact O-N 2.83Å; D64-D66 PolarHBondContact O-N 3.44Å
65N57.2Low63.4Low126 Ų126112.7 Ų112.767%0.67461%0.612SS**  trans-71.441172.9-78.1-58.8000111.1G63G63-N65 PolarHBondContact O-N 3.06Å; G63-N65 PolarHBondContact O-ND2 2.95Å
66D64.8Low63.2Low25 Ų25108 Ų10813%0.13459%0.593CS.*  trans-130.974.1174.1-164.9-5.4000109.9D64 F68 K69 L70 K71D64-D66 PolarHBondContact O-N 3.44Å; D66-F68 PolarHBondContact O-N 2.93Å; D66-F68 VanDerWaalsContact O-N 3.09Å; D66-F68 PolarHBondContact OD1-N 2.87Å; D66-K69 PolarHBondContact O-N 3.44Å; D66-K69 PolarHBondContact OD1-N 2.81Å; D66-L70 PolarHBondContact OD1-N 3.33Å; D66-L70 PolarHBondContact OD2-N 3.45Å; D66-K71 WeakPolarHBondContact OD2-CB 3.45Å; D66-K71 PolarHBondContact OD2-N 2.98Å
67P68.1Low63.4Low59 Ų59102 Ų10238%0.38357%0.57SS.*THydrogen-bonded Turntrans-60-20.7178.624.6-33.6000112.5V81P67-V81 HydrophobicContact CB-CG2 4.36Å
68F69.8Low63.7Low117 Ų117105.9 Ų105.951%0.51359%0.589SS.*THydrogen-bonded Turntrans-98.72178.3-65.2-72.9000113.5D66 L70 V76D66-F68 PolarHBondContact O-N 2.93Å; D66-F68 VanDerWaalsContact O-N 3.09Å; D66-F68 PolarHBondContact OD1-N 2.87Å; F68-L70 HydrophobicContact CB-CD1 4.05Å; F68-L70 HydrophobicContact CB-CG 3.85Å; F68-L70 PolarHBondContact O-N 3.48Å; F68-L70 VanDerWaalsContact O-N 3.08Å; F68-V76 HydrophobicContact CD1-CG1 4.37Å; F68-V76 HydrophobicContact CD1-CG2 4.45Å; F68-V76 WeakPolarHBondContact O-CG2 3.46Å
69K67.7Low64.2Low65 Ų65104.6 Ų104.628%0.28359%0.589SS.*  trans47.334.8-178-60.8178.1-177.5168.30112.9D66 K71 G73 V75 D77D66-K69 PolarHBondContact O-N 3.44Å; D66-K69 PolarHBondContact OD1-N 2.81Å; K69-K71 VanDerWaalsContact C-N 3.27Å; K69-K71 PolarHBondContact O-N 3.4Å; K69-G73 WeakPolarHBondContact O-CA 3.4Å; K69-G73 PolarHBondContact O-N 2.91Å; K69-V75 WeakPolarHBondContact CD-O 3.24Å; K69-V75 WeakPolarHBondContact CE-O 2.99Å; K69-V75 PolarHBondContact NZ-O 2.9Å; K69-D77 IonicContact NZ-OD2 2.83Å; K69-D77 PolarHBondContact NZ-OD2 3.13Å
70L72Confident64.8Low149 Ų149105 Ų10578%0.7859%0.585SS**THydrogen-bonded Turntrans-65.7-28.7-179.7-69.9168.4000112.7D66 F68D66-L70 PolarHBondContact OD1-N 3.33Å; D66-L70 PolarHBondContact OD2-N 3.45Å; F68-L70 HydrophobicContact CB-CD1 4.05Å; F68-L70 HydrophobicContact CB-CG 3.85Å; F68-L70 PolarHBondContact O-N 3.48Å; F68-L70 VanDerWaalsContact O-N 3.08Å
71K66.1Low65.4Low197 Ų197100 Ų10086%0.85756%0.559SS**THydrogen-bonded Turntrans-96-38.6179.6-62.2179.1-178.6175.60112.4D66 K69D66-K71 WeakPolarHBondContact OD2-CB 3.45Å; D66-K71 PolarHBondContact OD2-N 2.98Å; K69-K71 VanDerWaalsContact C-N 3.27Å; K69-K71 PolarHBondContact O-N 3.4Å
72T71.3Confident66.1Low98 Ų98100.6 Ų100.660%0.60156%0.56SS**THydrogen-bonded Turntrans-89.6-17.5-175.213.90000113.7
73G62.6Low66.9Low63 Ų63102.6 Ų102.665%0.64956%0.557SS**  trans66.6102.3177.500000112.7K69K69-G73 WeakPolarHBondContact O-CA 3.4Å; K69-G73 PolarHBondContact O-N 2.91Å
74G75.3Confident67.4Low46 Ų46106.9 Ų106.947%0.47456%0.556SS.*  trans176.6172.7176.300000113.1
75V73.6Confident67.5Low126 Ų126104 Ų10476%0.76455%0.551SS**  trans-70.3131.1179.5-178.30000110.4K69K69-V75 WeakPolarHBondContact CD-O 3.24Å; K69-V75 WeakPolarHBondContact CE-O 2.99Å; K69-V75 PolarHBondContact NZ-O 2.9Å
76V71.4Confident67.8Low44 Ų44107 Ų10727%0.26755%0.553SS.*  trans-70.9127.8-179.7177.30000110.9F68 M78 V81F68-V76 HydrophobicContact CD1-CG1 4.37Å; F68-V76 HydrophobicContact CD1-CG2 4.45Å; F68-V76 WeakPolarHBondContact O-CG2 3.46Å; V76-M78 HydrophobicContact CG1-SD 4.29Å; V76-M78 PolarHBondContact O-N 3.16Å; V76-V81 HydrophobicContact CG1-CG2 4.27Å
77D70.5Confident67.4Low73 Ų73112.1 Ų112.139%0.3958%0.58SS.*  trans-86.593.4176.9-70.7-43000110.6K69 K79 K80K69-D77 IonicContact NZ-OD2 2.83Å; K69-D77 PolarHBondContact NZ-OD2 3.13Å; D77-K79 PolarHBondContact O-N 3.25Å; D77-K80 HydrophobicContact CB-CD 4.2Å; D77-K80 HydrophobicContact CB-CG 4.33Å; D77-K80 PolarHBondContact O-N 2.98Å; D77-K80 VanDerWaalsContact O-N 3.09Å
78M68.1Low66.8Low143 Ų143116.6 Ų116.670%0.70460%0.598SS**Hα-helixtrans-57.2-20.2-175.6-67.2-61.8-68.600115.3V76V76-M78 HydrophobicContact CG1-SD 4.29Å; V76-M78 PolarHBondContact O-N 3.16Å
79K71.3Confident65.9Low178 Ų178115.8 Ų115.877%0.77460%0.602SS**Hα-helixtrans-70.8-44.3176.9-64.3-178.1-178.7179.80111.4D77 V81 K82 D83D77-K79 PolarHBondContact O-N 3.25Å; K79-V81 VanDerWaalsContact C-N 3.31Å; K79-V81 PolarHBondContact O-N 3.46Å; K79-K82 PolarHBondContact O-N 3.01Å; K79-D83 PolarHBondContact O-N 2.96Å
80K67Low65.1Low151 Ų151119.6 Ų119.666%0.65763%0.626SS**Hα-helixtrans-67.5-30-179-64.7-179177176.40113D77D77-K80 HydrophobicContact CB-CD 4.2Å; D77-K80 HydrophobicContact CB-CG 4.33Å; D77-K80 PolarHBondContact O-N 2.98Å; D77-K80 VanDerWaalsContact O-N 3.09Å
81V65.6Low64.1Low48 Ų48119.4 Ų119.429%0.29163%0.626SS.*Hα-helixtrans-70.3-32.7177.41800000111.7P67 V76 K79P67-V81 HydrophobicContact CB-CG2 4.36Å; V76-V81 HydrophobicContact CG1-CG2 4.27Å; K79-V81 VanDerWaalsContact C-N 3.31Å; K79-V81 PolarHBondContact O-N 3.46Å
82K67.8Low63.3Low159 Ų159116.6 Ų116.669%0.69162%0.62SS**Hα-helixtrans-81.7-30.9-175.3-168166.1-179.8174.90113.2K79K79-K82 PolarHBondContact O-N 3.01Å
83D63.9Low62.4Low97 Ų97117.6 Ų117.652%0.51963%0.626SS.*Hα-helixtrans-70.8-34.4179.7-63.6-31.4000111.7K79 A85 R86K79-D83 PolarHBondContact O-N 2.96Å; D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 2.85Å; D83-R86 PolarHBondContact O-N 3.36Å; D83-R86 VanDerWaalsContact O-N 3.11Å
84R63.4Low62Low145 Ų145117.2 Ų117.255%0.54762%0.622SS.*THydrogen-bonded Turntrans-68.5-20.5179-144179-126-1660.1114.5R86R84-R86 VanDerWaalsContact C-N 3.29Å
85A60.9Low61.1Low74 Ų74121.7 Ų121.761%0.61264%0.635SS**THydrogen-bonded Turntrans-78.4-13.4175.400000113D83D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 2.85Å
86R61.9Low60Low189 Ų189123 Ų12371%0.71364%0.638SS**THydrogen-bonded Turntrans-90.6-27.7175.2-83.3-177.6171.6159.5-6.1113.5D83 R84 M88 T89D83-R86 PolarHBondContact O-N 3.36Å; D83-R86 VanDerWaalsContact O-N 3.11Å; R84-R86 VanDerWaalsContact C-N 3.29Å; R86-M88 VanDerWaalsContact C-N 3.28Å; R86-M88 PolarHBondContact O-N 3.41Å; R86-T89 PolarHBondContact O-OG1 3.33Å
87D57.3Low59.3Low133 Ų133125.9 Ų125.971%0.71165%0.651SS**THydrogen-bonded Turntrans-76.9-10.4179.4-86.6-12.7000114.1T89D87-T89 VanDerWaalsContact C-N 3.34Å; D87-T89 PolarHBondContact O-N 2.92Å
88M54.8Low58.6Low154 Ų154128.2 Ų128.276%0.75966%0.663SS**THydrogen-bonded Turntrans-85.10.7-177.8-75-71.3179.700114.4R86R86-M88 VanDerWaalsContact C-N 3.28Å; R86-M88 PolarHBondContact O-N 3.41Å
89T50.8Low57.9Low99 Ų99124.5 Ų124.561%0.60766%0.662SS**THydrogen-bonded Turntrans-108.2-11.9-170.647.30000116.4R86 D87R86-T89 PolarHBondContact O-OG1 3.33Å; D87-T89 VanDerWaalsContact C-N 3.34Å; D87-T89 PolarHBondContact O-N 2.92Å
90D51.8Low57.2Low145 Ų145120.4 Ų120.478%0.77565%0.651SS**THydrogen-bonded Turntrans-120-16.5-173.5-84.4-36.8000115.9
91D51.5Low56.8Low145 Ų145116.4 Ų116.478%0.77564%0.643SS**SBendtrans-94.5-16.4-171.8-129.811.6000114.6T93D91-T93 PolarHBondContact O-N 2.92Å
92D49.5Very low56.2Low139 Ų139121.6 Ų121.674%0.74366%0.661SS**THydrogen-bonded Turntrans-94.38.1-171.7-134.810.3000113.9
93T51.6Low55.8Low119 Ų119118.5 Ų118.573%0.7366%0.66SS**THydrogen-bonded Turntrans-108.7-4.8178.2-22.20000113.2D91D91-T93 PolarHBondContact O-N 2.92Å
94G55.1Low55.5Low55 Ų55116.5 Ų116.557%0.56766%0.657SS**SBendtrans-90.6-21.1178.400000114.9
95D55.1Low55.2Low140 Ų140117.5 Ų117.575%0.74967%0.668SS**THydrogen-bonded Turntrans-96.93.5-167.8-95.2-4.4000115.4
96L51.8Low54.9Low154 Ų154119.7 Ų119.781%0.80667%0.673SS**THydrogen-bonded Turntrans-96.314.2176.8-65.6178.1000114.4L98L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 2.99Å
97N55.6Low54.7Low104 Ų104116.4 Ų116.456%0.55667%0.67SS**  trans-9642.4169.5-71-6.7000112.1G99 T100 S101N97-G99 PolarHBondContact O-N 3.16Å; N97-T100 PolarHBondContact O-N 3.48Å; N97-T100 PolarHBondContact O-OG1 2.81Å; N97-T100 VanDerWaalsContact O-OG1 3.08Å; N97-S101 PolarHBondContact O-OG 3.34Å; N97-S101 VanDerWaalsContact O-OG 3.12Å
98L55.3Low54.8Low122 Ų122121 Ų12164%0.63968%0.678SS**Hα-helixtrans-57.7-18.8173.3-172.660.9000113.1L96 F102L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 2.99Å; L98-F102 HydrophobicContact CD1-CE2 4.18Å
99G53.4Low55.2Low65 Ų65122.6 Ų122.667%0.6768%0.675SS**Hα-helixtrans-78.8-18.9175.300000115.2N97N97-G99 PolarHBondContact O-N 3.16Å
100T57.2Low56.1Low91 Ų91123.7 Ų123.756%0.55868%0.677SS**Hα-helixtrans-99.4-17.4179.4600000113.2N97N97-T100 PolarHBondContact O-N 3.48Å; N97-T100 PolarHBondContact O-OG1 2.81Å; N97-T100 VanDerWaalsContact O-OG1 3.08Å
101S58.3Low57.2Low68 Ų68123.3 Ų123.348%0.47667%0.671SS.*Hα-helixtrans-71.5-31.5-178-38.70000113N97N97-S101 PolarHBondContact O-OG 3.34Å; N97-S101 VanDerWaalsContact O-OG 3.12Å
102F53.9Low58.6Low156 Ų156122 Ų12268%0.68466%0.664SS**THydrogen-bonded Turntrans-78-24.8178-80.4-81.9000113.6L98L98-F102 HydrophobicContact CD1-CE2 4.18Å
103S58.7Low60.3Low94 Ų94117.8 Ų117.866%0.65765%0.649SS**THydrogen-bonded Turntrans-87.2-11-178.6-56.80000113.6
104A58.5Low61.8Low55 Ų55116.6 Ų116.646%0.45564%0.638SS.*SBendtrans-89.2-13.3178.200000113.4
105E57Low63.3Low166 Ų166119.2 Ų119.278%0.77664%0.636SS**THydrogen-bonded Turntrans-95.819.8-173.9-152-177167.200114.1
106T54.9Low64.9Low120 Ų120117.4 Ų117.474%0.73663%0.625SS**THydrogen-bonded Turntrans-128.17.1171.264.40000114
107N56.4Low66.7Low121 Ų121116.4 Ų116.465%0.64761%0.614SS**  trans-141.749.2-179.8-153.916.1000113.8
108R59.5Low68.3Low229 Ų229118.3 Ų118.386%0.86461%0.614SS**  trans-113.714.2163.2-71.5-169.1-178.7160.81.5112.9
109R64Low70Confident188 Ų188116.3 Ų116.371%0.70960%0.604SS**SBendtrans-97.7116159-87.2-175.3166.690.4-3.4105.7E111R109-E111 PolarHBondContact O-N 3.29Å
110D68.7Low71.6Confident122 Ų122118.2 Ų118.265%0.65260%0.595SS**  trans-69.680169.6-66.6-35.6000107.7D112 A113 D114D110-D112 PolarHBondContact O-N 2.84Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D110-A113 HydrophobicContact CB-CB 3.55Å; D110-A113 WeakPolarHBondContact O-CA 3.38Å; D110-A113 WeakPolarHBondContact O-CB 3.22Å; D110-A113 PolarHBondContact O-N 3.08Å; D110-D114 PolarHBondContact O-N 2.91Å
111E76Confident73Confident137 Ų137116.4 Ų116.464%0.6458%0.584SS**Hα-helixtrans-54.8-33.3178.5-64.6-179.4165.600110.8R109 D114 M115R109-E111 PolarHBondContact O-N 3.29Å; E111-D114 PolarHBondContact O-N 2.95Å; E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.47Å; E111-M115 PolarHBondContact O-N 3.39Å
112D80.3Confident74.4Confident116 Ų116115.8 Ų115.862%0.6257%0.574SS**Hα-helixtrans-68.6-36.4175.8-15841.3000112.1D110 M115 M116D110-D112 PolarHBondContact O-N 2.84Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D112-M115 PolarHBondContact O-N 3.07Å; D112-M116 VanDerWaalsContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CB 3.38Å; D112-M116 WeakPolarHBondContact O-CG 3.31Å; D112-M116 PolarHBondContact O-N 3.35Å
113A84.9Confident75.9Confident52 Ų52112.8 Ų112.843%0.4356%0.564SS.*Hα-helixtrans-68.6-40.5174.600000111.6D110 K117D110-A113 HydrophobicContact CB-CB 3.55Å; D110-A113 WeakPolarHBondContact O-CA 3.38Å; D110-A113 WeakPolarHBondContact O-CB 3.22Å; D110-A113 PolarHBondContact O-N 3.08Å; A113-K117 VanDerWaalsContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 2.87Å
114D83.7Confident76.9Confident94 Ų94113 Ų11350%0.50355%0.553SS.*Hα-helixtrans-69.2-36.9175.1-82.7-20.4000111.9D110 E111 K117 Y118D110-D114 PolarHBondContact O-N 2.91Å; E111-D114 PolarHBondContact O-N 2.95Å; D114-K117 PolarHBondContact O-N 3.14Å; D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3Å
115M86.8Confident78Confident109 Ų109116.3 Ų116.354%0.53756%0.557SS.*Hα-helixtrans-65.1-44.4174.3-169.2-179.6-54.300111.3E111 D112 Y118 I119E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.47Å; E111-M115 PolarHBondContact O-N 3.39Å; D112-M115 PolarHBondContact O-N 3.07Å; M115-Y118 PolarHBondContact O-N 2.83Å; M115-I119 HydrophobicContact CG-CD1 4.25Å; M115-I119 VanDerWaalsContact O-CG1 3.3Å; M115-I119 WeakPolarHBondContact O-CG1 3.45Å; M115-I119 PolarHBondContact O-N 3.41Å
116M88Confident79Confident103 Ų103116.9 Ų116.951%0.50756%0.557SS.*Hα-helixtrans-63.3-43.1175.3-73-69.2-79.500111.6D112 Y118 I119 E120D112-M116 VanDerWaalsContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CB 3.38Å; D112-M116 WeakPolarHBondContact O-CG 3.31Å; D112-M116 PolarHBondContact O-N 3.35Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.9Å; M116-I119 PolarHBondContact O-N 3.36Å; M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.05Å
117K90.2Very high80.2Confident132 Ų132119.5 Ų119.557%0.57456%0.559SS**Hα-helixtrans-60.2-41.7174-176.1-179.4176.9-173.60111.6A113 D114 E120 T121A113-K117 VanDerWaalsContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 2.87Å; D114-K117 PolarHBondContact O-N 3.14Å; K117-E120 PolarHBondContact O-N 2.85Å; K117-T121 VanDerWaalsContact O-CG2 3.27Å; K117-T121 WeakPolarHBondContact O-CG2 3.32Å; K117-T121 PolarHBondContact O-N 3.06Å; K117-T121 PolarHBondContact O-OG1 3.13Å
118Y89.4Confident80.5Confident145 Ų145116.6 Ų116.657%0.56956%0.557SS**Hα-helixtrans-63.1-47.6176.2-178.2-102.7000111.5D114 M115 M116 E120 T121 E122D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3Å; M115-Y118 PolarHBondContact O-N 2.83Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.9Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.48Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.16Å; Y118-T121 PolarHBondContact O-N 3.23Å; Y118-T121 VanDerWaalsContact O-N 3.15Å; Y118-T121 PolarHBondContact O-OG1 2.84Å; Y118-E122 HydrophobicContact CD1-CG 4.22Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 HydrophobicContact CE1-CG 3.74Å; Y118-E122 HydrophobicContact CE2-CG 3.93Å; Y118-E122 PolarHBondContact O-N 3.45Å
119I90.4Very high80.4Confident80 Ų80111.6 Ų111.641%0.4155%0.547SS..Hα-helixtrans-57.6-44.5176.2-67.5164.4000110.8M115 M116 E122 L123M115-I119 HydrophobicContact CG-CD1 4.25Å; M115-I119 VanDerWaalsContact O-CG1 3.3Å; M115-I119 WeakPolarHBondContact O-CG1 3.45Å; M115-I119 PolarHBondContact O-N 3.41Å; M116-I119 PolarHBondContact O-N 3.36Å; I119-E122 PolarHBondContact O-N 2.79Å; I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.3Å; I119-L123 VanDerWaalsContact O-CB 3.31Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.35Å; I119-L123 PolarHBondContact O-N 3.34Å
120E87.8Confident79.9Confident104 Ų104108.1 Ų108.149%0.48655%0.546SS..Hα-helixtrans-61.5-44.4176.1-74.7-178.2-172.700112.4M116 K117 Y118 L123 K124M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.05Å; K117-E120 PolarHBondContact O-N 2.85Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.48Å; E120-L123 PolarHBondContact O-N 3.25Å; E120-K124 WeakPolarHBondContact O-CB 3.33Å; E120-K124 VanDerWaalsContact O-CG 3.23Å; E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 3.17Å
121T85.9Confident79.4Confident54 Ų54109.8 Ų109.833%0.33155%0.55SS..Hα-helixtrans-64.6-42177.961.20000112.1K117 Y118 K124 K125K117-T121 VanDerWaalsContact O-CG2 3.27Å; K117-T121 WeakPolarHBondContact O-CG2 3.32Å; K117-T121 PolarHBondContact O-N 3.06Å; K117-T121 PolarHBondContact O-OG1 3.13Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.16Å; Y118-T121 PolarHBondContact O-N 3.23Å; Y118-T121 VanDerWaalsContact O-N 3.15Å; Y118-T121 PolarHBondContact O-OG1 2.84Å; T121-K124 PolarHBondContact O-N 2.96Å; T121-K125 WeakPolarHBondContact O-CB 3.47Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 3.25Å
122E87.3Confident78Confident55 Ų55106.7 Ų106.726%0.25755%0.548SS..Hα-helixtrans-69.7-37.4178.1-73.4-59.3126.400111.9Y118 I119 K125 K126Y118-E122 HydrophobicContact CD1-CG 4.22Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 HydrophobicContact CE1-CG 3.74Å; Y118-E122 HydrophobicContact CE2-CG 3.93Å; Y118-E122 PolarHBondContact O-N 3.45Å; I119-E122 PolarHBondContact O-N 2.79Å; E122-K125 PolarHBondContact O-N 3.28Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.86Å; E122-K125 PolarHBondContact OE1-NZ 2.99Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.47Å; E122-K126 PolarHBondContact O-N 3.31Å
123L84.7Confident76.5Confident93 Ų93110 Ų11049%0.48756%0.56SS.*Hα-helixtrans-65.8-38.4171.3-74.9174.6000112I119 E120 K126 K127I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.3Å; I119-L123 VanDerWaalsContact O-CB 3.31Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.35Å; I119-L123 PolarHBondContact O-N 3.34Å; E120-L123 PolarHBondContact O-N 3.25Å; L123-K126 PolarHBondContact O-N 2.84Å; L123-K127 VanDerWaalsContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CB 3.5Å; L123-K127 VanDerWaalsContact O-CG 3.24Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å; L123-K127 PolarHBondContact O-N 2.88Å
124K80.9Confident74.6Confident99 Ų99115 Ų11543%0.4358%0.575SS.*Hα-helixtrans-66-43.5174.6-77.1173-178.5178.10111.8E120 T121 K127 G128 L129E120-K124 WeakPolarHBondContact O-CB 3.33Å; E120-K124 VanDerWaalsContact O-CG 3.23Å; E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 3.17Å; T121-K124 PolarHBondContact O-N 2.96Å; K124-K127 CarbonylContact O-C 3.6Å; K124-K127 PolarHBondContact O-N 3.35Å; K124-G128 PolarHBondContact O-N 3.12Å; K124-G128 VanDerWaalsContact O-N 3.16Å; K124-L129 PolarHBondContact O-N 2.85Å
125K81.8Confident72.8Confident123 Ų123118.6 Ų118.654%0.53559%0.588SS.*Hα-helixtrans-59.6-46.3172.9-73.5174.7-168.8170.70111.6T121 E122 K127 G128T121-K125 WeakPolarHBondContact O-CB 3.47Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 3.25Å; E122-K125 PolarHBondContact O-N 3.28Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.86Å; E122-K125 PolarHBondContact OE1-NZ 2.99Å; K125-K127 VanDerWaalsContact C-N 3.31Å; K125-K127 PolarHBondContact O-N 2.95Å; K125-G128 PolarHBondContact O-N 3.06Å; K125-G128 VanDerWaalsContact O-N 3.08Å
126K77.4Confident71Confident179 Ų179121.4 Ų121.478%0.77860%0.597SS**Hα-helixtrans-66.1-30175.6-79.3-173.7173.1-179.10113.5E122 L123 G128E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.47Å; E122-K126 PolarHBondContact O-N 3.31Å; L123-K126 PolarHBondContact O-N 2.84Å; K126-G128 PolarHBondContact O-N 3.32Å
127K80.8Confident69.3Low175 Ų175122 Ų12276%0.76161%0.607SS**THydrogen-bonded Turntrans-78.8-0.8172.8-75.5176.9179.4-177.70113.4L123 K124 K125 L129L123-K127 VanDerWaalsContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CB 3.5Å; L123-K127 VanDerWaalsContact O-CG 3.24Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å; L123-K127 PolarHBondContact O-N 2.88Å; K124-K127 CarbonylContact O-C 3.6Å; K124-K127 PolarHBondContact O-N 3.35Å; K125-K127 VanDerWaalsContact C-N 3.31Å; K125-K127 PolarHBondContact O-N 2.95Å; K127-L129 VanDerWaalsContact C-N 3.26Å; K127-L129 PolarHBondContact O-N 3.4Å
128G61Low68Low60 Ų60123.9 Ų123.962%0.61962%0.615SS**THydrogen-bonded Turntrans74.710.2175.400000114.8K124 K125 K126 V130K124-G128 PolarHBondContact O-N 3.12Å; K124-G128 VanDerWaalsContact O-N 3.16Å; K125-G128 PolarHBondContact O-N 3.06Å; K125-G128 VanDerWaalsContact O-N 3.08Å; K126-G128 PolarHBondContact O-N 3.32Å; G128-V130 VanDerWaalsContact C-N 3.29Å; G128-V130 PolarHBondContact O-N 3.37Å
129L58.3Low66.7Low124 Ų124123.8 Ų123.865%0.64963%0.629SS**  trans-90.571.6174.1-151.681.7000108.3K124 K127 E131K124-L129 PolarHBondContact O-N 2.85Å; K127-L129 VanDerWaalsContact C-N 3.26Å; K127-L129 PolarHBondContact O-N 3.4Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 2.86Å; L129-E131 VanDerWaalsContact O-N 3.08Å
130V53.6Low65.6Low115 Ų115124.6 Ų124.670%0.69763%0.629SS**  trans-71.498.2164.7-179.50000105.4G128 A132G128-V130 VanDerWaalsContact C-N 3.29Å; G128-V130 PolarHBondContact O-N 3.37Å; V130-A132 PolarHBondContact O-N 3.37Å
131E57.9Low65.1Low156 Ų156124.4 Ų124.473%0.72963%0.632SS**  trans-59.195.4154.5-84.9178150.700105.2L129 E133L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 2.86Å; L129-E131 VanDerWaalsContact O-N 3.08Å; E131-E133 PolarHBondContact O-N 2.98Å; E131-E133 VanDerWaalsContact O-N 3.08Å
132A47.9Very low64.7Low73 Ų73125.3 Ų125.360%0.60364%0.644SS**  trans-49.8118.815300000104.3V130 E134V130-A132 PolarHBondContact O-N 3.37Å; A132-E134 PolarHBondContact O-N 3.34Å
133E47.2Very low64.2Low185 Ų185128.8 Ų128.886%0.86466%0.661SS**  trans-58.390.4164.8-68.2-160166.600105.9E131 Q135E131-E133 PolarHBondContact O-N 2.98Å; E131-E133 VanDerWaalsContact O-N 3.08Å; E133-Q135 PolarHBondContact O-N 3.17Å
134E46.1Very low63.8Low158 Ų158128.6 Ų128.674%0.73866%0.66SS**  trans-60.294.1162.5-77-173.9166.400103.9A132 K136A132-E134 PolarHBondContact O-N 3.34Å; E134-K136 PolarHBondContact O-N 3.43Å
135Q45.9Very low63.7Low168 Ų168128.7 Ų128.779%0.78567%0.665SS**  trans-49.992.4153.4-69.6179.9-4.600104.9E133 V137E133-Q135 PolarHBondContact O-N 3.17Å; Q135-V137 PolarHBondContact O-N 3.05Å
136K48Very low63.7Low169 Ų169129.8 Ų129.874%0.73568%0.676SS**  trans-63.785.8167.3-71-175.9-179.5179.70104.8E134 K138E134-K136 PolarHBondContact O-N 3.43Å; K136-K138 PolarHBondContact O-N 3.44Å
137V53.4Low63.9Low116 Ų116130.5 Ų130.570%0.70368%0.675SS**  trans-64.584.6160.9-179.40000103.8Q135 V139Q135-V137 PolarHBondContact O-N 3.05Å; V137-V139 PolarHBondContact O-N 3.48Å
138K62.3Low64Low171 Ų171125.9 Ų125.974%0.74366%0.656SS**  trans-54117.5166-68.7-177.8179.7-179.40104.8K136 K140K136-K138 PolarHBondContact O-N 3.44Å; K138-K140 PolarHBondContact O-N 2.9Å
139V61.3Low65Low142 Ų142128.2 Ų128.286%0.86165%0.654SS**  trans-59.7106.1173.7-1720000105.3V137 N141V137-V139 PolarHBondContact O-N 3.48Å; V139-N141 PolarHBondContact O-N 3.04Å
140K67.6Low66.3Low98 Ų98125.8 Ų125.843%0.42665%0.646SS.*  trans-66.8134.9-175.5-66.6178.3-171162.50108.1K138 D144 E148K138-K140 PolarHBondContact O-N 2.9Å; K140-D144 HydrophobicContact CB-CB 3.98Å; K140-E148 VanDerWaalsContact CD-OE1 3.27Å; K140-E148 WeakPolarHBondContact CD-OE1 3.47Å; K140-E148 VanDerWaalsContact CE-OE1 3.32Å; K140-E148 WeakPolarHBondContact CE-OE1 3.25Å; K140-E148 IonicContact NZ-OE1 3.35Å; K140-E148 PolarHBondContact NZ-OE1 3.43Å; K140-E148 IonicContact NZ-OE2 3.41Å
141N78.3Confident67.4Low100 Ų100128.6 Ų128.654%0.53565%0.651SS.*  trans-64.6156.9176.3-163.88.1000109.4V139 E143 D144 L145V139-N141 PolarHBondContact O-N 3.04Å; N141-E143 PolarHBondContact O-N 2.99Å; N141-E143 VanDerWaalsContact O-N 3.08Å; N141-D144 WeakPolarHBondContact O-CB 3.34Å; N141-D144 PolarHBondContact O-N 3.44Å; N141-L145 PolarHBondContact O-N 3.44Å
142A76.5Confident68.3Low72 Ų72128 Ų12860%0.59565%0.653SS**THydrogen-bonded Turntrans-57.3-28.6179.700000112.5
143E77.1Confident69.9Low129 Ų129129.1 Ų129.160%0.60365%0.647SS**THydrogen-bonded Turntrans-72.7-32.9175.4-63.4176.917500113.1N141 L145 L146 Y147N141-E143 PolarHBondContact O-N 2.99Å; N141-E143 VanDerWaalsContact O-N 3.08Å; E143-L145 VanDerWaalsContact C-N 3.29Å; E143-L145 PolarHBondContact O-N 2.8Å; E143-L146 PolarHBondContact O-N 2.85Å; E143-Y147 WeakPolarHBondContact O-CD2 3.32Å
144D77.4Confident71.4Confident88 Ų88126.5 Ų126.547%0.47163%0.63SS.*G310 helixtrans-67.6-32.1177.8-83.3-20.4000111.5K140 N141 L146 Y147 E148K140-D144 HydrophobicContact CB-CB 3.98Å; N141-D144 WeakPolarHBondContact O-CB 3.34Å; N141-D144 PolarHBondContact O-N 3.44Å; D144-L146 PolarHBondContact O-N 3.17Å; D144-Y147 PolarHBondContact O-N 3.34Å; D144-Y147 VanDerWaalsContact O-N 3.16Å; D144-E148 WeakPolarHBondContact O-CG 3.48Å; D144-E148 PolarHBondContact O-N 2.95Å
145L77.7Confident72.6Confident101 Ų101125 Ų12553%0.52963%0.631SS.*G310 helixtrans-65.3-26.5177.5-66.9169.9000112.9N141 E143 Y147N141-L145 PolarHBondContact O-N 3.44Å; E143-L145 VanDerWaalsContact C-N 3.29Å; E143-L145 PolarHBondContact O-N 2.8Å; L145-Y147 VanDerWaalsContact C-N 3.31Å
146L82Confident73.4Confident146 Ų146122.8 Ų122.876%0.76463%0.625SS**G310 helixtrans-74.1-23176.2-77.8151.3000112.6E143 D144E143-L146 PolarHBondContact O-N 2.85Å; D144-L146 PolarHBondContact O-N 3.17Å
147Y81.1Confident74Confident195 Ų195120 Ų12077%0.76563%0.626SS**G310 helixtrans-97.6-0.5178.6-65.1-72.1000113.2E143 D144 L145 L149E143-Y147 WeakPolarHBondContact O-CD2 3.32Å; D144-Y147 PolarHBondContact O-N 3.34Å; D144-Y147 VanDerWaalsContact O-N 3.16Å; L145-Y147 VanDerWaalsContact C-N 3.31Å; Y147-L149 PolarHBondContact O-N 3.25Å
148E83.3Confident74.1Confident77 Ų77118 Ų11836%0.3662%0.622SS.*PPolyproline II helixtrans-76.1124.9176-63.1-152.1127.500111.8K140 D144K140-E148 VanDerWaalsContact CD-OE1 3.27Å; K140-E148 WeakPolarHBondContact CD-OE1 3.47Å; K140-E148 VanDerWaalsContact CE-OE1 3.32Å; K140-E148 WeakPolarHBondContact CE-OE1 3.25Å; K140-E148 IonicContact NZ-OE1 3.35Å; K140-E148 PolarHBondContact NZ-OE1 3.43Å; K140-E148 IonicContact NZ-OE2 3.41Å; D144-E148 WeakPolarHBondContact O-CG 3.48Å; D144-E148 PolarHBondContact O-N 2.95Å
149L82.9Confident73.8Confident110 Ų110119.1 Ų119.158%0.57663%0.627SS**PPolyproline II helixtrans-77.3141.9173.9-66.5173.2000110.6Y147 I153Y147-L149 PolarHBondContact O-N 3.25Å; L149-I153 HydrophobicContact CD1-CG2 4.47Å
150P85.1Confident73.7Confident73 Ų73120.8 Ų120.847%0.47462%0.623SS.*PPolyproline II helixtrans-51.5145.5170.5-29.237000112.8N152 I153 R154P150-N152 WeakPolarHBondContact CB-OD1 3.38Å; P150-N152 PolarHBondContact O-N 3.29Å; P150-N152 VanDerWaalsContact O-N 3.1Å; P150-I153 HydrophobicContact CB-CD1 4.49Å; P150-I153 HydrophobicContact CG-CD1 4.39Å; P150-I153 CarbonylContact O-C 3.22Å; P150-I153 PolarHBondContact O-N 3.2Å; P150-R154 PolarHBondContact O-N 3.4Å
151E76.8Confident73.2Confident174 Ų174119.9 Ų119.981%0.81363%0.625SS**THydrogen-bonded Turntrans-57.8-31-173.6-65-156.2155.100113.9I153 R154E151-I153 VanDerWaalsContact C-N 3.3Å; E151-I153 PolarHBondContact O-N 2.84Å; E151-R154 PolarHBondContact O-N 3.16Å
152N77.4Confident72.6Confident144 Ų144123.1 Ų123.177%0.7764%0.637SS**THydrogen-bonded Turntrans-73.1-17.2176.762.5-19.7000114.3P150P150-N152 WeakPolarHBondContact CB-OD1 3.38Å; P150-N152 PolarHBondContact O-N 3.29Å; P150-N152 VanDerWaalsContact O-N 3.1Å
153I80.5Confident72.1Confident95 Ų95126.2 Ų126.249%0.48764%0.639SS.*THydrogen-bonded Turntrans-106.6-12.9177.1-61.9166.9000110.6L149 P150 E151 V155L149-I153 HydrophobicContact CD1-CG2 4.47Å; P150-I153 HydrophobicContact CB-CD1 4.49Å; P150-I153 HydrophobicContact CG-CD1 4.39Å; P150-I153 CarbonylContact O-C 3.22Å; P150-I153 PolarHBondContact O-N 3.2Å; E151-I153 VanDerWaalsContact C-N 3.3Å; E151-I153 PolarHBondContact O-N 2.84Å; I153-V155 VanDerWaalsContact C-N 3.29Å; I153-V155 PolarHBondContact O-N 3.28Å
154R78.9Confident71.4Confident130 Ų130126.5 Ų126.549%0.49164%0.642SS.*  trans-68.985.3176.7-165.8176.1-174.4147.85.4110.2P150 E151 N156P150-R154 PolarHBondContact O-N 3.4Å; E151-R154 PolarHBondContact O-N 3.16Å; R154-N156 PolarHBondContact O-N 2.82Å
155V70.6Confident70.8Confident128 Ų128126.7 Ų126.778%0.77664%0.643SS**  trans-70.896.9172.6-174.70000107.4I153 S157I153-V155 VanDerWaalsContact C-N 3.29Å; I153-V155 PolarHBondContact O-N 3.28Å; V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 3.5Å
156N63.7Low70.6Confident121 Ų121124.2 Ų124.265%0.64763%0.634SS**  trans-65.393.5168.3-71.4-13.6000107.5R154 A158R154-N156 PolarHBondContact O-N 2.82Å; N156-A158 HydrophobicContact CB-CB 4.41Å; N156-A158 PolarHBondContact O-N 2.84Å
157S60.2Low70.3Confident109 Ų109121.6 Ų121.676%0.76262%0.621SS**  trans-71.232.9163.269.50000110.7V155 K159V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 3.5Å; S157-K159 PolarHBondContact O-N 2.87Å
158A54.7Low70.1Confident74 Ų74116.5 Ų116.561%0.61260%0.604SS**  trans-57.7112.2168.300000104.7N156 K160N156-A158 HydrophobicContact CB-CB 4.41Å; N156-A158 PolarHBondContact O-N 2.84Å; A158-K160 VanDerWaalsContact C-N 3.25Å; A158-K160 PolarHBondContact O-N 3.28Å
159K57.8Low69.6Low195 Ų195119.3 Ų119.385%0.84862%0.619SS**  trans-43.893.1176.8-60.8169.1-179.5-1790107.5S157 T161S157-K159 PolarHBondContact O-N 2.87Å; K159-T161 VanDerWaalsContact C-N 3.25Å; K159-T161 PolarHBondContact O-N 3.37Å
160K58.1Low69.2Low178 Ų178120.9 Ų120.977%0.77463%0.627SS**  trans-60.4106.9160.1-68.7-177.2-179.6-179.50101.8A158 E162A158-K160 VanDerWaalsContact C-N 3.25Å; A158-K160 PolarHBondContact O-N 3.28Å; K160-E162 PolarHBondContact O-N 3.45Å
161T57.6Low68.9Low78 Ų78121.9 Ų121.948%0.47964%0.636SS.*  trans-47.9136-175.545.70000107.5K159 E163 M164K159-T161 VanDerWaalsContact C-N 3.25Å; K159-T161 PolarHBondContact O-N 3.37Å; T161-E163 PolarHBondContact O-N 2.97Å; T161-M164 PolarHBondContact O-N 2.85Å
162E65.3Low69Low168 Ų168115.2 Ų115.279%0.78561%0.614SS**Hα-helixtrans-51.3-27.6-177.8-171.2175.3172.700111.8K160 M164 L165 S166K160-E162 PolarHBondContact O-N 3.45Å; E162-M164 PolarHBondContact O-N 3.41Å; E162-L165 PolarHBondContact O-N 3.38Å; E162-S166 WeakPolarHBondContact O-CB 3.34Å; E162-S166 PolarHBondContact O-N 2.9Å; E162-S166 PolarHBondContact O-OG 3.04Å
163E66.2Low69Low138 Ų138114.5 Ų114.565%0.64561%0.609SS**Hα-helixtrans-61.7-30.9172.1-160.7172.2-165.800115T161 S166 N167T161-E163 PolarHBondContact O-N 2.97Å; E163-S166 WeakPolarHBondContact CA-OG 3.26Å; E163-S166 PolarHBondContact O-OG 2.87Å; E163-N167 WeakPolarHBondContact O-CB 3.39Å; E163-N167 PolarHBondContact O-N 3.18Å; E163-N167 PolarHBondContact O-ND2 3.25Å
164M62.5Low68.9Low135 Ų135113.9 Ų113.967%0.66561%0.611SS**Hα-helixtrans-81.3-30.8172.5-65.5-152.99200112.5T161 E162 Q168T161-M164 PolarHBondContact O-N 2.85Å; E162-M164 PolarHBondContact O-N 3.41Å; M164-Q168 WeakPolarHBondContact O-CB 3.41Å; M164-Q168 PolarHBondContact O-N 3.01Å; M164-Q168 VanDerWaalsContact O-N 3.13Å
165L65.4Low69Low91 Ų91116.5 Ų116.548%0.47663%0.629SS.*Hα-helixtrans-75.4-41177.2-166.980.3000111E162 Q168 M169E162-L165 PolarHBondContact O-N 3.38Å; L165-Q168 PolarHBondContact O-N 3.39Å; L165-M169 WeakPolarHBondContact O-CG 3.35Å; L165-M169 PolarHBondContact O-N 3.11Å
166S72.4Confident69.6Low50 Ų50115.8 Ų115.835%0.3562%0.624SS.*Hα-helixtrans-65-43.5176.965.30000111.4E162 E163 Q168 M169 L170E162-S166 WeakPolarHBondContact O-CB 3.34Å; E162-S166 PolarHBondContact O-N 2.9Å; E162-S166 PolarHBondContact O-OG 3.04Å; E163-S166 WeakPolarHBondContact CA-OG 3.26Å; E163-S166 PolarHBondContact O-OG 2.87Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 PolarHBondContact O-N 2.99Å; S166-M169 PolarHBondContact O-N 3.07Å; S166-M169 VanDerWaalsContact O-N 3.17Å; S166-L170 WeakPolarHBondContact O-CB 3.33Å; S166-L170 WeakPolarHBondContact O-CG 3.33Å; S166-L170 PolarHBondContact O-N 3.16Å
167N75.1Confident70.5Confident91 Ų91117.3 Ų117.349%0.48763%0.633SS.*Hα-helixtrans-62.6-36.9173.2-77-33.9000112.1E163 L170 S171E163-N167 WeakPolarHBondContact O-CB 3.39Å; E163-N167 PolarHBondContact O-N 3.18Å; E163-N167 PolarHBondContact O-ND2 3.25Å; N167-L170 PolarHBondContact O-N 2.99Å; N167-S171 VanDerWaalsContact O-CB 3.26Å; N167-S171 WeakPolarHBondContact O-CB 3.37Å; N167-S171 PolarHBondContact O-N 3.26Å; N167-S171 PolarHBondContact O-OG 3.02Å
168Q77.4Confident71.6Confident87 Ų87118.7 Ų118.741%0.40763%0.631SS.*Hα-helixtrans-67.1-33.4174-176.8173.38.400112.8M164 L165 S166 G172M164-Q168 WeakPolarHBondContact O-CB 3.41Å; M164-Q168 PolarHBondContact O-N 3.01Å; M164-Q168 VanDerWaalsContact O-N 3.13Å; L165-Q168 PolarHBondContact O-N 3.39Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 PolarHBondContact O-N 2.99Å; Q168-G172 CarbonylContact O-C 3.54Å; Q168-G172 VanDerWaalsContact O-C 3.22Å; Q168-G172 PolarHBondContact O-N 3.3Å; Q168-G172 VanDerWaalsContact O-O 3.14Å
169M73.1Confident73.4Confident137 Ų137117.3 Ų117.368%0.67562%0.624SS**Hα-helixtrans-73.9-36.8173.5-67-68.2-176.200111.6L165 S166L165-M169 WeakPolarHBondContact O-CG 3.35Å; L165-M169 PolarHBondContact O-N 3.11Å; S166-M169 PolarHBondContact O-N 3.07Å; S166-M169 VanDerWaalsContact O-N 3.17Å
170L74.5Confident75Confident142 Ų142114.3 Ų114.374%0.74362%0.615SS**Hα-helixtrans-73.9-37.5178.6-76.2163.2000113S166 N167 G172S166-L170 WeakPolarHBondContact O-CB 3.33Å; S166-L170 WeakPolarHBondContact O-CG 3.33Å; S166-L170 PolarHBondContact O-N 3.16Å; N167-L170 PolarHBondContact O-N 2.99Å; L170-G172 PolarHBondContact O-N 3.01Å
171S78.3Confident76.7Confident94 Ų94111.4 Ų111.466%0.65761%0.609SS**SBendtrans-80.5-4.2177.570.60000113.4N167N167-S171 VanDerWaalsContact O-CB 3.26Å; N167-S171 WeakPolarHBondContact O-CB 3.37Å; N167-S171 PolarHBondContact O-N 3.26Å; N167-S171 PolarHBondContact O-OG 3.02Å
172G79.3Confident78.4Confident35 Ų35109.2 Ų109.236%0.36160%0.598SS.*  trans74.5151.1-166.200000112Q168 L170 P174Q168-G172 CarbonylContact O-C 3.54Å; Q168-G172 VanDerWaalsContact O-C 3.22Å; Q168-G172 PolarHBondContact O-N 3.3Å; Q168-G172 VanDerWaalsContact O-O 3.14Å; L170-G172 PolarHBondContact O-N 3.01Å; G172-P174 WeakPolarHBondContact O-CD 3.26Å
173I77.9Confident79.8Confident128 Ų128108.3 Ų108.366%0.65659%0.591SS**  trans-61.5123.6172.4-59.6172.3000106.9E175I173-E175 PolarHBondContact O-N 3.26Å
174P78.9Confident81.2Confident82 Ų82105.3 Ų105.353%0.53258%0.579SS.*  trans-54.2119.1173-24.834000109.1G172 V176G172-P174 WeakPolarHBondContact O-CD 3.26Å; P174-V176 PolarHBondContact O-N 2.95Å
175E79.5Confident82.8Confident185 Ų185105.9 Ų105.986%0.86458%0.578SS**  trans-63.8112.9178.6-65.2-177.7179.300108.2I173I173-E175 PolarHBondContact O-N 3.26Å
176V82.9Confident84.2Confident113 Ų113106.7 Ų106.769%0.68558%0.583SS**  trans-99.5110.2167.9179.50000105.9P174 L178P174-V176 PolarHBondContact O-N 2.95Å; V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 HydrophobicContact CG1-CD2 4.3Å; V176-L178 PolarHBondContact O-N 3.27Å
177D82.9Confident85.3Confident154 Ų154108.5 Ų108.582%0.82459%0.588SS**  trans-65.194.2175.7-85.3-27.4000109.8G179D177-G179 PolarHBondContact O-N 2.88Å
178L84.1Confident86.4Confident138 Ų138108.6 Ų108.672%0.72359%0.587SS**  trans-66.7-3.4176.2-61.2175.7000112.9V176 A182V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 HydrophobicContact CG1-CD2 4.3Å; V176-L178 PolarHBondContact O-N 3.27Å; L178-A182 HydrophobicContact CB-CB 4.02Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å
179G91.5Very high87.3Confident45 Ų45111.5 Ų111.546%0.46460%0.599SS.*Hα-helixtrans77.3156.4-177.300000113.2D177 D181 A182D177-G179 PolarHBondContact O-N 2.88Å; G179-D181 PolarHBondContact O-N 3.33Å; G179-A182 PolarHBondContact O-N 3.49Å
180I91.4Very high88.5Confident131 Ų131109.1 Ų109.167%0.67259%0.592SS**Hα-helixtrans-63.4-31.9178.5-57.3175.3000110.3A182 K183 I184I180-A182 PolarHBondContact O-N 3.49Å; I180-K183 WeakPolarHBondContact O-CB 3.45Å; I180-K183 PolarHBondContact O-N 3.42Å; I180-I184 HydrophobicContact CG2-CD1 3.74Å; I180-I184 HydrophobicContact CG2-CG1 4.13Å; I180-I184 WeakPolarHBondContact O-CG1 3.44Å; I180-I184 PolarHBondContact O-N 3.47Å
181D94.3Very high89.5Confident118 Ų118108.5 Ų108.563%0.63159%0.585SS**Hα-helixtrans-63.2-38.1-179.9-63.4-24.7000113.2G179 K183 I184 K185G179-D181 PolarHBondContact O-N 3.33Å; D181-K183 VanDerWaalsContact C-N 3.35Å; D181-I184 PolarHBondContact O-N 3.28Å; D181-K185 WeakPolarHBondContact O-CB 3.37Å; D181-K185 WeakPolarHBondContact O-CG 3.22Å; D181-K185 PolarHBondContact O-N 2.85Å
182A94.1Very high90.3Very high31 Ų31110.1 Ų110.126%0.25658%0.583SS.*Hα-helixtrans-66.5-40.3175.600000111.1L178 G179 I180 K185 N186L178-A182 HydrophobicContact CB-CB 4.02Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å; G179-A182 PolarHBondContact O-N 3.49Å; I180-A182 PolarHBondContact O-N 3.49Å; A182-K185 PolarHBondContact O-N 2.81Å; A182-N186 VanDerWaalsContact O-CG 3.28Å; A182-N186 PolarHBondContact O-N 2.84Å; A182-N186 PolarHBondContact O-ND2 3.11Å
183K93.6Very high91.1Very high149 Ų149111 Ų11165%0.64859%0.586SS**Hα-helixtrans-62.1-44.5173.7-170.3177.7-174.7174.60111.2I180 D181 N186 I187I180-K183 WeakPolarHBondContact O-CB 3.45Å; I180-K183 PolarHBondContact O-N 3.42Å; D181-K183 VanDerWaalsContact C-N 3.35Å; K183-N186 PolarHBondContact O-N 2.89Å; K183-I187 HydrophobicContact CG-CD1 4.14Å; K183-I187 VanDerWaalsContact O-CG1 3.25Å; K183-I187 WeakPolarHBondContact O-CG1 3.46Å; K183-I187 PolarHBondContact O-N 2.98Å
184I95.7Very high92Very high76 Ų76111.8 Ų111.839%0.3959%0.585SS.*Hα-helixtrans-62.7-45.4177.1-70.5169.4000110.8I180 D181 N186 I187 I188I180-I184 HydrophobicContact CG2-CD1 3.74Å; I180-I184 HydrophobicContact CG2-CG1 4.13Å; I180-I184 WeakPolarHBondContact O-CG1 3.44Å; I180-I184 PolarHBondContact O-N 3.47Å; D181-I184 PolarHBondContact O-N 3.28Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.01Å; I184-I187 WeakPolarHBondContact O-CB 3.41Å; I184-I187 PolarHBondContact O-N 2.87Å; I184-I187 VanDerWaalsContact O-N 3.12Å; I184-I188 HydrophobicContact CG2-CD1 3.64Å; I184-I188 HydrophobicContact CG2-CG1 4.23Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.35Å; I184-I188 PolarHBondContact O-N 3.18Å
185K96.8Very high92.7Very high146 Ų146110.5 Ų110.564%0.63558%0.582SS**Hα-helixtrans-59.2-41.3176.9-75.8175-176.4176.70112.2D181 A182 I188 F189D181-K185 WeakPolarHBondContact O-CB 3.37Å; D181-K185 WeakPolarHBondContact O-CG 3.22Å; D181-K185 PolarHBondContact O-N 2.85Å; A182-K185 PolarHBondContact O-N 2.81Å; K185-I188 PolarHBondContact O-N 2.9Å; K185-F189 WeakPolarHBondContact O-CB 3.45Å; K185-F189 PolarHBondContact O-N 3.38Å
186N95.6Very high93.5Very high108 Ų108108.2 Ų108.258%0.57857%0.569SS**Hα-helixtrans-65-40.3175.5-68.9-16.5000111.8A182 K183 I184 F189 T190A182-N186 VanDerWaalsContact O-CG 3.28Å; A182-N186 PolarHBondContact O-N 2.84Å; A182-N186 PolarHBondContact O-ND2 3.11Å; K183-N186 PolarHBondContact O-N 2.89Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.01Å; N186-F189 PolarHBondContact O-N 3.42Å; N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 VanDerWaalsContact O-CG2 3.3Å; N186-T190 WeakPolarHBondContact O-CG2 3.35Å; N186-T190 PolarHBondContact O-N 3.29Å; N186-T190 PolarHBondContact O-OG1 3.09Å
187I95.6Very high93.9Very high89 Ų89107.4 Ų107.446%0.45656%0.56SS.*Hα-helixtrans-61.9-48.9175.1-68164.1000110.3K183 I184 F189 T190 E191K183-I187 HydrophobicContact CG-CD1 4.14Å; K183-I187 VanDerWaalsContact O-CG1 3.25Å; K183-I187 WeakPolarHBondContact O-CG1 3.46Å; K183-I187 PolarHBondContact O-N 2.98Å; I184-I187 WeakPolarHBondContact O-CB 3.41Å; I184-I187 PolarHBondContact O-N 2.87Å; I184-I187 VanDerWaalsContact O-N 3.12Å; I187-F189 PolarHBondContact O-N 3.41Å; I187-T190 PolarHBondContact O-N 3.12Å; I187-T190 PolarHBondContact O-OG1 3.38Å; I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.78Å
188I97.1Very high94.3Very high93 Ų93103.6 Ų103.648%0.47754%0.539SS..Hα-helixtrans-59.7-47.7178.6-66.6167.3000110.7I184 K185 T190 E191 E192I184-I188 HydrophobicContact CG2-CD1 3.64Å; I184-I188 HydrophobicContact CG2-CG1 4.23Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.35Å; I184-I188 PolarHBondContact O-N 3.18Å; K185-I188 PolarHBondContact O-N 2.9Å; I188-T190 PolarHBondContact O-N 3.04Å; I188-E191 PolarHBondContact O-N 2.85Å; I188-E192 WeakPolarHBondContact O-CB 3.46Å; I188-E192 PolarHBondContact O-N 3.39Å
189F97Very high94.6Very high147 Ų147102.7 Ų102.765%0.64553%0.531SS*.Hα-helixtrans-63.1-43.2-178.3-173.2-98.3000112.1K185 N186 I187 E192 A193K185-F189 WeakPolarHBondContact O-CB 3.45Å; K185-F189 PolarHBondContact O-N 3.38Å; N186-F189 PolarHBondContact O-N 3.42Å; I187-F189 PolarHBondContact O-N 3.41Å; F189-E192 PolarHBondContact O-N 3.01Å; F189-A193 WeakPolarHBondContact O-CB 3.28Å; F189-A193 PolarHBondContact O-N 3.37Å
190T96.7Very high94.4Very high87 Ų87104 Ų10453%0.53453%0.528SS..Hα-helixtrans-70.5-33.4177.456.40000112.7N186 I187 I188 K194N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 VanDerWaalsContact O-CG2 3.3Å; N186-T190 WeakPolarHBondContact O-CG2 3.35Å; N186-T190 PolarHBondContact O-N 3.29Å; N186-T190 PolarHBondContact O-OG1 3.09Å; I187-T190 PolarHBondContact O-N 3.12Å; I187-T190 PolarHBondContact O-OG1 3.38Å; I188-T190 PolarHBondContact O-N 3.04Å; T190-K194 VanDerWaalsContact O-CB 3.22Å; T190-K194 WeakPolarHBondContact O-CB 3.46Å; T190-K194 PolarHBondContact O-N 2.83Å
191E95.8Very high94.1Very high129 Ų129102.8 Ų102.860%0.60352%0.519SS*.Hα-helixtrans-67.7-44173.7-174.8174.9-158.800111.6I187 I188 K194 A195I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.78Å; I188-E191 PolarHBondContact O-N 2.85Å; E191-K194 PolarHBondContact O-N 3.37Å; E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 3.5Å
192E96.3Very high93.5Very high129 Ų129105.1 Ų105.160%0.60352%0.519SS*.Hα-helixtrans-61.8-47.7176.4-173.2-176.8174.900111.1I188 F189 K194 A195 K196I188-E192 WeakPolarHBondContact O-CB 3.46Å; I188-E192 PolarHBondContact O-N 3.39Å; F189-E192 PolarHBondContact O-N 3.01Å; E192-K194 VanDerWaalsContact C-N 3.31Å; E192-K194 PolarHBondContact O-N 3.12Å; E192-A195 PolarHBondContact O-N 3.4Å; E192-K196 WeakPolarHBondContact O-CB 3.4Å; E192-K196 PolarHBondContact O-N 3.08Å
193A95.4Very high92.7Very high53 Ų53106.4 Ų106.444%0.43852%0.521SS..Hα-helixtrans-60.4-41176.400000111.9F189 L197F189-A193 WeakPolarHBondContact O-CB 3.28Å; F189-A193 PolarHBondContact O-N 3.37Å; A193-L197 WeakPolarHBondContact O-CB 3.48Å; A193-L197 PolarHBondContact O-N 3.45Å
194K96.6Very high91.8Very high144 Ų144105.8 Ų105.863%0.62652%0.519SS*.Hα-helixtrans-65.7-43.4176.1-177.5179.6178.5-178.60111.9T190 E191 E192 L197 L198T190-K194 VanDerWaalsContact O-CB 3.22Å; T190-K194 WeakPolarHBondContact O-CB 3.46Å; T190-K194 PolarHBondContact O-N 2.83Å; E191-K194 PolarHBondContact O-N 3.37Å; E192-K194 VanDerWaalsContact C-N 3.31Å; E192-K194 PolarHBondContact O-N 3.12Å; K194-L197 PolarHBondContact O-N 3.35Å; K194-L198 HydrophobicContact CG-CD1 4.26Å; K194-L198 PolarHBondContact O-N 3.31Å
195A95Very high90.2Very high56 Ų56110.5 Ų110.546%0.46354%0.537SS..Hα-helixtrans-62.3-44.5177.600000111.2E191 E192 L198 Q199E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 3.5Å; E192-A195 PolarHBondContact O-N 3.4Å; A195-L198 PolarHBondContact O-N 3.43Å; A195-Q199 WeakPolarHBondContact O-CB 3.49Å; A195-Q199 PolarHBondContact O-N 2.83Å
196K94.8Very high88.6Confident136 Ų136111.1 Ų111.159%0.59154%0.539SS*.Hα-helixtrans-60-46.2175.2-173.3177.2-179.7177.50112.1E192 L198 Q199 D200E192-K196 WeakPolarHBondContact O-CB 3.4Å; E192-K196 PolarHBondContact O-N 3.08Å; K196-L198 VanDerWaalsContact C-N 3.34Å; K196-L198 PolarHBondContact O-N 3.06Å; K196-Q199 WeakPolarHBondContact O-CB 3.21Å; K196-Q199 PolarHBondContact O-N 2.73Å; K196-D200 PolarHBondContact O-N 3.47Å
197L91.6Very high86.8Confident96 Ų96112.2 Ų112.250%0.50355%0.545SS..Hα-helixtrans-60.5-42.8176.8-171.2163.4000111.7A193 K194 D200 Q201A193-L197 WeakPolarHBondContact O-CB 3.48Å; A193-L197 PolarHBondContact O-N 3.45Å; K194-L197 PolarHBondContact O-N 3.35Å; L197-D200 PolarHBondContact O-N 2.78Å; L197-Q201 HydrophobicContact CD2-CG 4.07Å; L197-Q201 WeakPolarHBondContact O-CG 3.37Å; L197-Q201 PolarHBondContact O-N 3.41Å
198L91.4Very high85Confident75 Ų75114.5 Ų114.539%0.39356%0.558SS.*Hα-helixtrans-64.6-38.8175.7-109.5129.4000112.5K194 A195 K196 Q201 R202K194-L198 HydrophobicContact CG-CD1 4.26Å; K194-L198 PolarHBondContact O-N 3.31Å; A195-L198 PolarHBondContact O-N 3.43Å; K196-L198 VanDerWaalsContact C-N 3.34Å; K196-L198 PolarHBondContact O-N 3.06Å; L198-Q201 PolarHBondContact O-N 3.29Å; L198-R202 WeakPolarHBondContact O-CB 3.43Å; L198-R202 VanDerWaalsContact O-CG 3.28Å; L198-R202 WeakPolarHBondContact O-CG 3.45Å; L198-R202 PolarHBondContact O-N 2.76Å
199Q90.1Very high83Confident119 Ų119112.7 Ų112.756%0.55656%0.562SS**Hα-helixtrans-64.4-45.9174.3-177.2173.4-3.300111A195 K196 Q201 R202 N203A195-Q199 WeakPolarHBondContact O-CB 3.49Å; A195-Q199 PolarHBondContact O-N 2.83Å; K196-Q199 WeakPolarHBondContact O-CB 3.21Å; K196-Q199 PolarHBondContact O-N 2.73Å; Q199-Q201 VanDerWaalsContact C-N 3.34Å; Q199-Q201 PolarHBondContact O-N 3.3Å; Q199-R202 WeakPolarHBondContact O-CB 3.39Å; Q199-R202 PolarHBondContact O-N 3.42Å; Q199-R202 VanDerWaalsContact O-N 3.11Å; Q199-N203 WeakPolarHBondContact O-CB 3.48Å; Q199-N203 VanDerWaalsContact O-CG 3.23Å; Q199-N203 PolarHBondContact O-N 3.47Å; Q199-N203 PolarHBondContact O-OD1 3.26Å
200D87.8Confident81.1Confident72 Ų72111.5 Ų111.539%0.38557%0.568SS.*Hα-helixtrans-62.9-39176.5-69.9-17.3000111.7K196 L197 R202 N203 K204K196-D200 PolarHBondContact O-N 3.47Å; L197-D200 PolarHBondContact O-N 2.78Å; D200-R202 VanDerWaalsContact C-N 3.35Å; D200-N203 PolarHBondContact O-N 3.36Å; D200-K204 WeakPolarHBondContact O-CB 3.44Å; D200-K204 WeakPolarHBondContact O-CG 3.42Å; D200-K204 PolarHBondContact O-N 3.19Å
201Q85.1Confident79.2Confident105 Ų105113.6 Ų113.649%0.49159%0.586SS.*Hα-helixtrans-64.4-37.9172.7-77.1-170.223.700112.8L197 L198 Q199 K205L197-Q201 HydrophobicContact CD2-CG 4.07Å; L197-Q201 WeakPolarHBondContact O-CG 3.37Å; L197-Q201 PolarHBondContact O-N 3.41Å; L198-Q201 PolarHBondContact O-N 3.29Å; Q199-Q201 VanDerWaalsContact C-N 3.34Å; Q199-Q201 PolarHBondContact O-N 3.3Å; Q201-K205 WeakPolarHBondContact O-CG 3.49Å; Q201-K205 PolarHBondContact O-N 3.09Å
202R81.8Confident77.5Confident168 Ų168116.4 Ų116.463%0.63460%0.596SS**Hα-helixtrans-68.5-38.4175.9-75.9172171.5-175.5-1.2111.5L198 Q199 D200 K205L198-R202 WeakPolarHBondContact O-CB 3.43Å; L198-R202 VanDerWaalsContact O-CG 3.28Å; L198-R202 WeakPolarHBondContact O-CG 3.45Å; L198-R202 PolarHBondContact O-N 2.76Å; Q199-R202 WeakPolarHBondContact O-CB 3.39Å; Q199-R202 PolarHBondContact O-N 3.42Å; Q199-R202 VanDerWaalsContact O-N 3.11Å; D200-R202 VanDerWaalsContact C-N 3.35Å; R202-K205 PolarHBondContact O-N 2.99Å
203N78.1Confident75.7Confident57 Ų57114.1 Ų114.131%0.30559%0.591SS.*Hα-helixtrans-72.6-40.7178.5-66.4-11.3000111.5Q199 D200 K205 K206 D207Q199-N203 WeakPolarHBondContact O-CB 3.48Å; Q199-N203 VanDerWaalsContact O-CG 3.23Å; Q199-N203 PolarHBondContact O-N 3.47Å; Q199-N203 PolarHBondContact O-OD1 3.26Å; D200-N203 PolarHBondContact O-N 3.36Å; N203-K205 PolarHBondContact O-N 3.41Å; N203-K206 CarbonylContact O-C 3.52Å; N203-K206 WeakPolarHBondContact O-CA 3.39Å; N203-K206 WeakPolarHBondContact O-CB 3.4Å; N203-K206 PolarHBondContact O-N 3.22Å; N203-D207 PolarHBondContact O-N 3.11Å
204K73.1Confident74.5Confident137 Ų137116.6 Ų116.660%0.59660%0.602SS**Hα-helixtrans-56.9-32.8173-75.8170.6-178.4179.10113.8D200 K206 N208D200-K204 WeakPolarHBondContact O-CB 3.44Å; D200-K204 WeakPolarHBondContact O-CG 3.42Å; D200-K204 PolarHBondContact O-N 3.19Å; K204-K206 VanDerWaalsContact C-N 3.31Å; K204-N208 VanDerWaalsContact O-CG 3.3Å; K204-N208 PolarHBondContact O-N 3.42Å; K204-N208 PolarHBondContact O-ND2 3.39Å
205K63.1Low73.1Confident175 Ų175117 Ų11776%0.76162%0.617SS**Hα-helixtrans-73.5-22.4174-69.8178.5-177.2-176.80113.2Q201 R202 N203Q201-K205 WeakPolarHBondContact O-CG 3.49Å; Q201-K205 PolarHBondContact O-N 3.09Å; R202-K205 PolarHBondContact O-N 2.99Å; N203-K205 PolarHBondContact O-N 3.41Å
206K62.3Low71.8Confident158 Ų158119.1 Ų119.169%0.68762%0.621SS**Hα-helixtrans-90.6-36.7177.1-67.7177.4177.6-177.50111.9N203 K204 G209N203-K206 CarbonylContact O-C 3.52Å; N203-K206 WeakPolarHBondContact O-CA 3.39Å; N203-K206 WeakPolarHBondContact O-CB 3.4Å; N203-K206 PolarHBondContact O-N 3.22Å; K204-K206 VanDerWaalsContact C-N 3.31Å; K206-G209 PolarHBondContact O-N 3.37Å
207D58.9Low70.1Confident131 Ų131117.3 Ų117.370%0.70162%0.616SS**Hα-helixtrans-83.7-12-174.8-64.5-23.3000113.9N203 G209N203-D207 PolarHBondContact O-N 3.11Å; D207-G209 PolarHBondContact O-N 3.49Å
208N57.6Low68.5Low137 Ų137116 Ų11673%0.73362%0.62SS**THydrogen-bonded Turntrans-82.37168.4-71.6-12.6000113.3K204 T210K204-N208 VanDerWaalsContact O-CG 3.3Å; K204-N208 PolarHBondContact O-N 3.42Å; K204-N208 PolarHBondContact O-ND2 3.39Å; N208-T210 PolarHBondContact O-N 2.78Å; N208-T210 VanDerWaalsContact O-N 3.12Å
209G55.5Low66.9Low55 Ų55116.9 Ų116.957%0.56763%0.628SS**  trans-80.281.7173.800000111.2K206 D207 S211K206-G209 PolarHBondContact O-N 3.37Å; D207-G209 PolarHBondContact O-N 3.49Å; G209-S211 PolarHBondContact O-N 2.72Å
210T56.3Low65.3Low123 Ų123118.5 Ų118.576%0.75564%0.641SS**  trans-58.3110.9159.654.50000107.4N208 F212N208-T210 PolarHBondContact O-N 2.78Å; N208-T210 VanDerWaalsContact O-N 3.12Å; T210-F212 PolarHBondContact O-N 2.81Å
211S57.6Low63.9Low130 Ų130123.3 Ų123.391%0.90965%0.654SS**THydrogen-bonded Turntrans-69.721.6-17253.80000114.6G209G209-S211 PolarHBondContact O-N 2.72Å
212F58.8Low62.7Low189 Ų189123.3 Ų123.383%0.82966%0.662SS**THydrogen-bonded Turntrans-98.7-12.5-173.9-164.7-108000114.3T210T210-F212 PolarHBondContact O-N 2.81Å
213V60Low61.6Low80 Ų80122.7 Ų122.749%0.48567%0.666SS.*SBendtrans-138.2117.6174.8-175.20000110.3T215 I217V213-T215 PolarHBondContact O-N 2.91Å; V213-I217 HydrophobicContact CG1-CD1 3.43Å; V213-I217 VanDerWaalsContact CG1-CD1 3.43Å; V213-I217 HydrophobicContact CG1-CG1 4.16Å
214P68.4Low60.6Low105 Ų105128.2 Ų128.268%0.68269%0.689SS**  trans-55.2129172.5-25.935000110.7N216P214-N216 PolarHBondContact O-N 3.08Å
215T67.7Low59.8Low152 Ų152127.3 Ų127.393%0.93369%0.691SS**SBendtrans-65.716-173.845.20000115V213V213-T215 PolarHBondContact O-N 2.91Å
216N66.9Low59.5Low101 Ų101130.5 Ų130.554%0.5470%0.698SS.*  trans-151.974.2173.1-148.4-19.8000112.5P214 V219P214-N216 PolarHBondContact O-N 3.08Å; N216-V219 HydrophobicContact CB-CG2 3.64Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.22Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.26Å
217I60Low58.8Low98 Ų98132.1 Ų132.150%0.50371%0.706SS.*G310 helixtrans-68.6-26.8170.7-76175.5000111.3V213 V219 Y221V213-I217 HydrophobicContact CG1-CD1 3.43Å; V213-I217 VanDerWaalsContact CG1-CD1 3.43Å; V213-I217 HydrophobicContact CG1-CG1 4.16Å; I217-V219 PolarHBondContact O-N 3.07Å; I217-Y221 HydrophobicContact CG2-CD2 3.83Å; I217-Y221 HydrophobicContact CG2-CE2 3.35Å; I217-Y221 VanDerWaalsContact O-CD2 3.26Å; I217-Y221 WeakPolarHBondContact O-CD2 3.08Å
218A58.2Low58.3Low70 Ų70135.4 Ų135.458%0.57971%0.71SS**G310 helixtrans-77.8-12.9-171.100000115N220A218-N220 VanDerWaalsContact C-N 3.26Å; A218-N220 PolarHBondContact O-N 2.97Å
219V57.4Low57.8Low93 Ų93140 Ų14056%0.56472%0.717SS**G310 helixtrans-72.3-20.5176.7-134.10000112.9N216 I217N216-V219 HydrophobicContact CB-CG2 3.64Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.22Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.26Å; I217-V219 PolarHBondContact O-N 3.07Å
220N57.9Low57.6Low153 Ų153146 Ų14682%0.81873%0.73SS**G310 helixtrans-96.6-5.1179.4-81.5-7.3000114.1A218A218-N220 VanDerWaalsContact C-N 3.26Å; A218-N220 PolarHBondContact O-N 2.97Å
221Y57.5Low57.2Low172 Ų172147.2 Ų147.268%0.67573%0.732SS**  trans-104.913.4-179.6-68.6-64.2000114.4I217 Q223I217-Y221 HydrophobicContact CG2-CD2 3.83Å; I217-Y221 HydrophobicContact CG2-CE2 3.35Å; I217-Y221 VanDerWaalsContact O-CD2 3.26Å; I217-Y221 WeakPolarHBondContact O-CD2 3.08Å; Y221-Q223 PolarHBondContact O-N 2.98Å
222V60.3Low56.9Low106 Ų106148 Ų14864%0.64273%0.731SS**  trans-67.985.1157.6-178.40000106.6H224V222-H224 PolarHBondContact O-N 3.39Å
223Q58.2Low56.5Low155 Ų155146.8 Ų146.872%0.72473%0.733SS**  trans-54.7108.7165.2-68.6-176.8-16.100105.7Y221 N225Y221-Q223 PolarHBondContact O-N 2.98Å; Q223-N225 PolarHBondContact O-N 3.09Å
224H55.9Low55.9Low172 Ų172146.7 Ų146.780%0.79674%0.741SS**  trans-58.1111162.9-70.881.2000105.2V222 R226V222-H224 PolarHBondContact O-N 3.39Å; H224-R226 PolarHBondContact O-N 3.3Å
225N56.6Low54.8Low119 Ų119147.5 Ų147.564%0.63675%0.746SS**  trans-58.584.8170.3-82.5-15.1000108.4Q223 F227 Y228Q223-N225 PolarHBondContact O-N 3.09Å; N225-F227 PolarHBondContact O-N 3.39Å; N225-F227 VanDerWaalsContact O-N 3.16Å; N225-Y228 HydrophobicContact CB-CD2 4.49Å
226R57.3Low53.8Low241 Ų241147.7 Ų147.791%0.90974%0.736SS**THydrogen-bonded Turntrans-72.2-0.2179.1-148.4178.7-163.4-146.73.1111.9H224H224-R226 PolarHBondContact O-N 3.3Å
227F48.3Very low52.8Low192 Ų192153.6 Ų153.684%0.84275%0.751SS**THydrogen-bonded Turntrans-108.33.1-176.2-128.3-88.8000115N225N225-F227 PolarHBondContact O-N 3.39Å; N225-F227 VanDerWaalsContact O-N 3.16Å
228Y46.9Very low52.1Low201 Ų201155.9 Ų155.979%0.78876%0.759SS**  trans-125.456.5171.5-67.2-73.7000111.2N225N225-Y228 HydrophobicContact CB-CD2 4.49Å
229R47.7Very low51.5Low234 Ų234160.9 Ų160.988%0.88377%0.77SS**  trans-119.865.7162.2-71.6-151177.6-162.61.2110.1
230E52.3Low50.7Low181 Ų181162.5 Ų162.585%0.84678%0.776SS**  trans-105.3105.1140.7-79.4-158.6156.500106.3
231D47Very low50.3Low148 Ų148166.7 Ų166.779%0.79178%0.78SS**  trans171.489.7146.9-86.7-20.9000107.1N233D231-N233 PolarHBondContact O-N 3.33Å; D231-N233 VanDerWaalsContact O-N 3.1Å
232V52.4Low49.6Very low146 Ų146166.4 Ų166.489%0.88579%0.785SS**THydrogen-bonded Turntrans-79.222.5-177.7-149.30000111.8
233N49.8Very low48.9Very low163 Ų163171.1 Ų171.187%0.87280%0.797SS**THydrogen-bonded Turntrans-153.741.9-172.3-115-7.9000116.1D231D231-N233 PolarHBondContact O-N 3.33Å; D231-N233 VanDerWaalsContact O-N 3.1Å
234A47.8Very low48.4Very low79 Ų79169.5 Ų169.565%0.65380%0.8SS**  trans-105.1121.3168.700000111.1Q236A234-Q236 PolarHBondContact O-N 3.04Å
235P44.7Very low48Very low121 Ų121171 Ų17179%0.78680%0.804SS**  trans-65.4124.1-179.324.5-31.7000110.9R237P235-R237 PolarHBondContact O-N 3.05Å
236Q46.5Very low48Very low156 Ų156174 Ų17473%0.72981%0.814SS**  trans-56.2109.6173.6-91.5-148.3-37.600110.7A234 H238A234-Q236 PolarHBondContact O-N 3.04Å; Q236-H238 PolarHBondContact O-N 3.41Å; Q236-H238 VanDerWaalsContact O-N 3.16Å; Q236-H238 PolarHBondContact OE1-CE1 3.19Å; Q236-H238 PolarHBondContact OE1-NE2 2.86Å; Q236-H238 VanDerWaalsContact OE1-NE2 3.16Å
237R46.1Very low48.2Very low225 Ų225168.5 Ų168.585%0.84981%0.809SS**  trans-77.194.8160.9-73.4-171.4171.6-167.9-1.1108.7P235 H239P235-R237 PolarHBondContact O-N 3.05Å; R237-H239 VanDerWaalsContact C-N 3.28Å; R237-H239 PolarHBondContact O-N 3.04Å
238H45.2Very low48.7Very low147 Ų147168.3 Ų168.368%0.68181%0.811SS**  trans-65.389.5161-73.4-70000109Q236 N240Q236-H238 PolarHBondContact O-N 3.41Å; Q236-H238 VanDerWaalsContact O-N 3.16Å; Q236-H238 PolarHBondContact OE1-CE1 3.19Å; Q236-H238 PolarHBondContact OE1-NE2 2.86Å; Q236-H238 VanDerWaalsContact OE1-NE2 3.16Å; H238-N240 PolarHBondContact O-N 3.45Å
239H45.5Very low49Very low175 Ų175163.5 Ų163.581%0.8181%0.813SS**  trans-82.8108.6161.3-101.4-48.7000109.4R237R237-H239 VanDerWaalsContact C-N 3.28Å; R237-H239 PolarHBondContact O-N 3.04Å
240N40.5Very low49.7Very low126 Ų126163.2 Ų163.267%0.67481%0.812SS**  trans-38.8138177.6-71.1-33.3000115.2H238 H242H238-N240 PolarHBondContact O-N 3.45Å; N240-H242 PolarHBondContact O-N 3.23Å
241R49.3Very low50.1Low241 Ų241160.7 Ų160.791%0.90981%0.811SS**  trans-51.5109.9154.4-68.4170.9172.8168.7-2.9109.8
242H42.6Very low50.4Low166 Ų166161.8 Ų161.877%0.76982%0.816SS**  trans-14286.6153.2-75.4-61.8000109.1N240 P244N240-H242 PolarHBondContact O-N 3.23Å; H242-P244 WeakPolarHBondContact O-CD 3.46Å
243K45.8Very low50.2Low206 Ų206166.5 Ų166.590%0.89682%0.818SS**PPolyproline II helixtrans-76.8118.5152.4-85.4-178.9173.9-177.70106.4K245K243-K245 PolarHBondContact O-N 3.43Å
244P48.5Very low49.7Very low121 Ų121166.1 Ų166.179%0.78682%0.821SS**PPolyproline II helixtrans-66.3123.3164.425.4-27.7000108H242H242-P244 WeakPolarHBondContact O-CD 3.46Å
245K47.6Very low49.9Very low203 Ų203165.1 Ų165.188%0.88382%0.818SS**PPolyproline II helixtrans-63.1131.3163.6-86.4178.1170.7-178.40107.5K243K243-K245 PolarHBondContact O-N 3.43Å
246E56.1Low49.7Very low182 Ų182167.7 Ų167.785%0.8583%0.826SS**PPolyproline II helixtrans-57.3134167.8-70.8175.815700109.3E248E246-E248 PolarHBondContact O-N 2.86Å
247P60.8Low49.5Very low125 Ų125166.3 Ų166.381%0.81283%0.828SS**PPolyproline II helixtrans-72.9123.117328.4-31.1000109.5A249P247-A249 PolarHBondContact O-N 2.73Å
248E59.9Low49.2Very low188 Ų188164.7 Ų164.788%0.87983%0.83SS**PPolyproline II helixtrans-56.6134.8169.9-68-178.1166.800110.6E246 R250E246-E248 PolarHBondContact O-N 2.86Å; E248-R250 PolarHBondContact O-N 2.96Å
249A53.9Low49.2Very low100 Ų100167.4 Ų167.483%0.82684%0.84SS**PPolyproline II helixtrans-66.8123.6178.700000110.4P247P247-A249 PolarHBondContact O-N 2.73Å
250R62.5Low49.2Very low229 Ų229165.1 Ų165.186%0.86484%0.84SS**PPolyproline II helixtrans-70139.5171.7-62.8-179.2-179.1-169.4-0.5109.4E248 L252E248-R250 PolarHBondContact O-N 2.96Å; R250-L252 PolarHBondContact O-N 2.75Å
251P60.6Low48.9Very low127 Ų127162.6 Ų162.683%0.82584%0.844SS**PPolyproline II helixtrans-64.2125.8174.525.8-32.3000110.4R253P251-R253 PolarHBondContact O-N 3.45Å
252L51.4Low48.9Very low172 Ų172157.4 Ų157.490%0.90184%0.841SS**PPolyproline II helixtrans-62121173-104.372.7000109.7R250R250-L252 PolarHBondContact O-N 2.75Å
253R48.3Very low48.6Very low244 Ų244158.8 Ų158.892%0.92185%0.848SS**PPolyproline II helixtrans-87.3129.9160-89.1-168.2173.2-164-1108.6P251P251-R253 PolarHBondContact O-N 3.45Å
254V40.2Very low48.1Very low156 Ų156153.8 Ų153.895%0.94585%0.845SS**SBendtrans-74122.5172.2-176.30000107.8
255G52.8Low47.8Very low57 Ų57154.7 Ų154.759%0.58885%0.848SS**  trans169.1-18174.100000121T257G255-T257 PolarHBondContact O-N 2.76Å
256D39.1Very low47.3Very low176 Ų176153.8 Ų153.894%0.94185%0.847SS**  trans-105.487.6-171.7-63.9-19.9000112.3
257T42.6Very low47.2Very low126 Ų126150.5 Ų150.577%0.77384%0.841SS**  trans-90.8109.8162.648.70000108.8G255G255-T257 PolarHBondContact O-N 2.76Å
258E39.6Very low46.1Very low191 Ų191148.5 Ų148.589%0.89384%0.835SS**  trans-164.5114.7151.6-107.9162.3-137.900110.6
259K46.2Very low45Very low205 Ų205145.8 Ų145.889%0.89183%0.827SS**  trans-72.7147.4167.7-73.3173.7173.5175.70109.1
260P44.7Very low44.7Very low127 Ų127150.9 Ų150.983%0.82583%0.833SS**  trans-119.6142.2137.823.6-7.7000111.4
261G35.2Very low43.8Very low72 Ų72150.5 Ų150.574%0.74283%0.832SS**  trans-74.9-169-177.300000115
262P48.2Very low43.2Very low133 Ų133154.3 Ų154.386%0.86484%0.835SS**  trans-93.6138.8-152.135.6-31.9000113.2
263E36.8Very low43.3Very low195 Ų195156.7 Ų156.791%0.91183%0.833SS**  trans-126.6127164.1-84-170.3160.700111.8
264A34.3Very low43.3Very low101 Ų101150.3 Ų150.384%0.83582%0.823SS**  trans25.4134.2153.100000122.5
265V44.3Very low44.1Very low139 Ų139149.1 Ų149.184%0.84281%0.811SS**  trans-67135169.5-179.70000111
266E36.3Very low44.1Very low184 Ų184154.2 Ų154.286%0.8683%0.825SS**  trans-163.8151.4141.1-87.4-113.9169.200110.3
267P54Low45.1Very low113 Ų113154.2 Ų154.273%0.73482%0.819SS**  trans-104.4123.5-150.235.4-25.9000112.9
268A37Very low46.4Very low83 Ų83152.5 Ų152.569%0.68680%0.801SS**  trans-159.8122.8164.200000113.9
269N36.7Very low48Very low131 Ų131146.5 Ų146.570%0.70178%0.784SS**  trans73.8100.1149.7-59.2-40000117.7R271N269-R271 PolarHBondContact O-N 3.4Å
270H48Very low49.3Very low207 Ų207142.4 Ų142.496%0.95878%0.776SS**  trans-58.282.7157.6-66.2-54.6000111.3
271R43.6Very low50.9Low221 Ų221142.2 Ų142.283%0.83477%0.769SS**  trans-96.7103.3164.9-79.9-178.5172.9166.5-1.2108.8N269 R273N269-R271 PolarHBondContact O-N 3.4Å; R271-R273 PolarHBondContact O-N 3.35Å
272K48.3Very low53.1Low207 Ų207142.8 Ų142.890%0.975%0.754SS**  trans8.8102.8157.3-59.1-176.3-179-178.60115.4
273R52.3Low54.5Low223 Ų223143.3 Ų143.384%0.84274%0.74SS**  trans-59.1150.8158.3-69.9-175.3177.3-167.5-0.3109.9R271R271-R273 PolarHBondContact O-N 3.35Å
274P48.9Very low56.7Low110 Ų110139.3 Ų139.371%0.71472%0.721SS**  trans-56.9139.4-17923.1-33.3000111.6N276P274-N276 PolarHBondContact O-N 2.7Å
275N57Low59Low131 Ų131141.5 Ų141.570%0.70171%0.709SS**THydrogen-bonded Turntrans-63.26.6-170.1-103.80.7000116.4
276N52.9Low60.9Low163 Ų163139.9 Ų139.987%0.87269%0.692SS**THydrogen-bonded Turntrans-93.6-5.2-170.4-10017.4000115.1P274P274-N276 PolarHBondContact O-N 2.7Å
277E60.7Low63Low176 Ų176137.5 Ų137.582%0.82268%0.679SS**  trans-128.731.4-174.6-64.7179.4178.500113.1
278K68.9Low64.3Low90 Ų90138 Ų13839%0.39167%0.67SS.*  trans-81.5127.3169.2-68.7-173.1-178.6-176.70109D282 E286K278-D282 HydrophobicContact CB-CB 4.14Å; K278-D282 HydrophobicContact CD-CB 4.48Å; K278-E286 VanDerWaalsContact NZ-CD 3.34Å; K278-E286 IonicContact NZ-OE1 2.9Å; K278-E286 PolarHBondContact NZ-OE1 2.95Å; K278-E286 IonicContact NZ-OE2 3.87Å; K278-E286 PolarHBondContact NZ-OE2 3.38Å
279A74.6Confident66.6Low66 Ų66140.3 Ų140.355%0.54566%0.664SS.*  trans-55.9150.5169.500000109.7D281 D282A279-D281 PolarHBondContact O-N 2.94Å; A279-D282 WeakPolarHBondContact O-CB 3.5Å; A279-D282 PolarHBondContact O-N 3.08Å
280T71.6Confident68.8Low118 Ų118141.3 Ų141.372%0.72466%0.663SS**Hα-helixtrans-55.1-29.6-178.146.70000112.6Y283 H284T280-Y283 WeakPolarHBondContact O-CB 3.43Å; T280-Y283 PolarHBondContact O-N 2.68Å; T280-H284 PolarHBondContact O-N 3.16Å; T280-H284 PolarHBondContact O-ND1 3.44Å
281D79.4Confident70.1Confident124 Ų124137.5 Ų137.566%0.66365%0.647SS**Hα-helixtrans-68.4-39.1179.1-162.422.8000113A279 Y283 H284 Y285A279-D281 PolarHBondContact O-N 2.94Å; D281-Y283 PolarHBondContact O-N 2.97Å; D281-H284 PolarHBondContact O-N 3.18Å; D281-Y285 WeakPolarHBondContact O-CB 3.49Å; D281-Y285 PolarHBondContact O-N 3.33Å
282D82.1Confident71.5Confident83 Ų83131 Ų13144%0.44463%0.629SS.*Hα-helixtrans-60.5-34.2176.2-94.9-12.7000112.2K278 A279 E286K278-D282 HydrophobicContact CB-CB 4.14Å; K278-D282 HydrophobicContact CD-CB 4.48Å; A279-D282 WeakPolarHBondContact O-CB 3.5Å; A279-D282 PolarHBondContact O-N 3.08Å; D282-E286 WeakPolarHBondContact O-CB 3.39Å; D282-E286 WeakPolarHBondContact O-CG 3.46Å; D282-E286 PolarHBondContact O-N 2.99Å
283Y76.9Confident72.6Confident144 Ų144131.3 Ų131.357%0.56562%0.624SS**Hα-helixtrans-65.4-42.9174.9176-94.3000111.9T280 D281 K287T280-Y283 WeakPolarHBondContact O-CB 3.43Å; T280-Y283 PolarHBondContact O-N 2.68Å; D281-Y283 PolarHBondContact O-N 2.97Å; Y283-K287 WeakPolarHBondContact O-CB 3.48Å; Y283-K287 PolarHBondContact O-N 3.16Å; Y283-K287 VanDerWaalsContact O-N 3.08Å
284H82.9Confident73Confident112 Ų112130.8 Ų130.852%0.51962%0.622SS.*Hα-helixtrans-71.7-38.1180-68.377.8000110.9T280 D281 K287 F288T280-H284 PolarHBondContact O-N 3.16Å; T280-H284 PolarHBondContact O-ND1 3.44Å; D281-H284 PolarHBondContact O-N 3.18Å; H284-K287 PolarHBondContact O-N 3.05Å; H284-F288 WeakPolarHBondContact O-CB 3.44Å; H284-F288 PolarHBondContact O-N 3.36Å
285Y82.8Confident73Confident146 Ų146138.7 Ų138.757%0.57364%0.64SS**Hα-helixtrans-63.8-45.2174.8-171.9-106.2000112.5D281 K287 F288 K289D281-Y285 WeakPolarHBondContact O-CB 3.49Å; D281-Y285 PolarHBondContact O-N 3.33Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 3.18Å; Y285-F288 PolarHBondContact O-N 2.94Å; Y285-K289 WeakPolarHBondContact O-CB 3.49Å; Y285-K289 PolarHBondContact O-N 2.94Å
286E83.4Confident73.8Confident105 Ų105139.1 Ų139.149%0.49164%0.637SS.*Hα-helixtrans-63.3-38.5174.4-80.3-169.9172.900112.1K278 D282 K290K278-E286 VanDerWaalsContact NZ-CD 3.34Å; K278-E286 IonicContact NZ-OE1 2.9Å; K278-E286 PolarHBondContact NZ-OE1 2.95Å; K278-E286 IonicContact NZ-OE2 3.87Å; K278-E286 PolarHBondContact NZ-OE2 3.38Å; D282-E286 WeakPolarHBondContact O-CB 3.39Å; D282-E286 WeakPolarHBondContact O-CG 3.46Å; D282-E286 PolarHBondContact O-N 2.99Å; E286-K290 VanDerWaalsContact O-CB 3.24Å; E286-K290 WeakPolarHBondContact O-CB 3.37Å; E286-K290 PolarHBondContact O-N 3.08Å
287K80.3Confident74.9Confident134 Ų134137.8 Ų137.858%0.58362%0.624SS**Hα-helixtrans-64-45176.8-171.5-176.8-179.1-175.50111.6Y283 H284 Y285 K290 M291Y283-K287 WeakPolarHBondContact O-CB 3.48Å; Y283-K287 PolarHBondContact O-N 3.16Å; Y283-K287 VanDerWaalsContact O-N 3.08Å; H284-K287 PolarHBondContact O-N 3.05Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 3.18Å; K287-K290 PolarHBondContact O-N 3.43Å; K287-M291 PolarHBondContact O-N 3.04Å
288F81.4Confident75.7Confident123 Ų123135.7 Ų135.754%0.53961%0.613SS.*Hα-helixtrans-61.4-48.6176.5177-103000111.7H284 Y285 K290 M291 N292H284-F288 WeakPolarHBondContact O-CB 3.44Å; H284-F288 PolarHBondContact O-N 3.36Å; Y285-F288 PolarHBondContact O-N 2.94Å; F288-K290 VanDerWaalsContact C-N 3.29Å; F288-K290 PolarHBondContact O-N 3.27Å; F288-M291 PolarHBondContact O-N 3.1Å; F288-N292 WeakPolarHBondContact CE1-ND2 3.04Å; F288-N292 VanDerWaalsContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CZ-ND2 3.23Å; F288-N292 PolarHBondContact O-N 3.34Å; F288-N292 VanDerWaalsContact O-N 3.08Å; F288-N292 PolarHBondContact O-ND2 3.17Å
289K86.2Confident76.1Confident132 Ų132138.4 Ų138.457%0.57463%0.626SS**Hα-helixtrans-61.2-38.1177.6-170.2175.3-175.4170.70112.4Y285 M291 R293Y285-K289 WeakPolarHBondContact O-CB 3.49Å; Y285-K289 PolarHBondContact O-N 2.94Å; K289-M291 VanDerWaalsContact C-N 3.34Å; K289-R293 WeakPolarHBondContact O-CB 3.24Å; K289-R293 PolarHBondContact O-N 3.16Å
290K82.8Confident76.2Confident153 Ų153142.9 Ų142.967%0.66563%0.631SS**Hα-helixtrans-70-32178.8-166.3175.6-176.1179.20112.4E286 K287 F288E286-K290 VanDerWaalsContact O-CB 3.24Å; E286-K290 WeakPolarHBondContact O-CB 3.37Å; E286-K290 PolarHBondContact O-N 3.08Å; K287-K290 PolarHBondContact O-N 3.43Å; F288-K290 VanDerWaalsContact C-N 3.29Å; F288-K290 PolarHBondContact O-N 3.27Å
291M74.6Confident76.5Confident127 Ų127144.5 Ų144.563%0.62663%0.625SS**Hα-helixtrans-70.9-42.8176-164.7164.673.100111.4K287 F288 K289 R293 R294K287-M291 PolarHBondContact O-N 3.04Å; F288-M291 PolarHBondContact O-N 3.1Å; K289-M291 VanDerWaalsContact C-N 3.34Å; M291-R293 VanDerWaalsContact C-N 3.25Å; M291-R293 PolarHBondContact O-N 3.34Å; M291-R294 PolarHBondContact O-N 3.33Å
292N72.7Confident76.3Confident85 Ų85146 Ų14646%0.45562%0.622SS.*Hα-helixtrans-76.8-7.6178.5-67.8-30.5000114.5F288 R294F288-N292 WeakPolarHBondContact CE1-ND2 3.04Å; F288-N292 VanDerWaalsContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CZ-ND2 3.23Å; F288-N292 PolarHBondContact O-N 3.34Å; F288-N292 VanDerWaalsContact O-N 3.08Å; F288-N292 PolarHBondContact O-ND2 3.17Å; N292-R294 VanDerWaalsContact C-N 3.33Å
293R72.8Confident75.9Confident213 Ų213150.8 Ų150.880%0.80464%0.636SS**THydrogen-bonded Turntrans-87.9-2.8174.4-171.9170.7155.8175.4-3112.9K289 M291K289-R293 WeakPolarHBondContact O-CB 3.24Å; K289-R293 PolarHBondContact O-N 3.16Å; M291-R293 VanDerWaalsContact C-N 3.25Å; M291-R293 PolarHBondContact O-N 3.34Å
294R59.5Low75.8Confident212 Ų212151.4 Ų151.480%0.864%0.642SS**THydrogen-bonded Turntrans-100.216.4175.6-72-163.8179.4-156.70.3113.6M291 N292M291-R294 PolarHBondContact O-N 3.33Å; N292-R294 VanDerWaalsContact C-N 3.33Å
295Y49.9Very low75.1Confident275 Ų275155 Ų155100%1.07865%0.653SS**  trans-122.90164.3-77.9-80.7000109

Retrieved 295 of 295 residues in 861.4 ms (Link to these results)