A0A096N0I0_PAPAN Loading...

MAX dimerization protein 1

AlphaFold DB (A0A2K5RVS1), UniProt , Accession A0A096N0I0, Species PAPAN (Papio anubis, Olive baboon), Gene MXD1, Length 221 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
1M55.8Low69.9Low217 Ų217114.7 Ų114.7100%1.06962%0.618SS**  0-40.10-82.4179.8-176.800114.2A3 A4M1-A3 PolarHBondContact O-N 3.29Å; M1-A4 PolarHBondContact O-N 3.38Å
2A55.9Low71.3Confident73 Ų73115.7 Ų115.760%0.60362%0.622SS**Hα-helixtrans-62.7-30.1-176.700000116R6A2-R6 WeakPolarHBondContact O-CG 3.22Å; A2-R6 PolarHBondContact O-N 3.29Å
3A58.6Low72.3Confident73 Ų73114.3 Ų114.360%0.60361%0.613SS**Hα-helixtrans-71.8-37.9-179.400000113.5M1 V5 R6 M7M1-A3 PolarHBondContact O-N 3.29Å; A3-V5 VanDerWaalsContact C-N 3.35Å; A3-R6 PolarHBondContact O-N 3.33Å; A3-M7 WeakPolarHBondContact O-CG 3.47Å; A3-M7 PolarHBondContact O-N 3.41Å; A3-M7 VanDerWaalsContact O-N 3.11Å
4A62.3Low73.3Confident60 Ų60115.6 Ų115.650%0.49661%0.614SS.*Hα-helixtrans-67.9-36.6177.700000111.8M1 M7 N8M1-A4 PolarHBondContact O-N 3.38Å; A4-M7 PolarHBondContact O-N 3.39Å; A4-N8 PolarHBondContact O-N 3.33Å; A4-N8 PolarHBondContact O-ND2 3.13Å
5V69.6Low73.9Confident82 Ų82111.4 Ų111.450%0.49760%0.602SS.*Hα-helixtrans-64.8-40174.4179.30000110.9A3 N8 I9A3-V5 VanDerWaalsContact C-N 3.35Å; V5-N8 PolarHBondContact O-N 3.33Å; V5-I9 HydrophobicContact CG1-CD1 3.74Å; V5-I9 HydrophobicContact CG1-CG1 4.41Å; V5-I9 WeakPolarHBondContact O-CB 2.98Å; V5-I9 WeakPolarHBondContact O-CD1 3.48Å; V5-I9 WeakPolarHBondContact O-CG1 3.43Å; V5-I9 PolarHBondContact O-N 3.21Å
6R66.8Low74.5Confident193 Ų193107.6 Ų107.673%0.72859%0.59SS**Hα-helixtrans-63.1-40.3174.9-74.6179.1-178.7-102.32113A2 A3 I9 Q10A2-R6 WeakPolarHBondContact O-CG 3.22Å; A2-R6 PolarHBondContact O-N 3.29Å; A3-R6 PolarHBondContact O-N 3.33Å; R6-I9 PolarHBondContact O-N 3.03Å; R6-Q10 WeakPolarHBondContact O-CB 3.44Å; R6-Q10 PolarHBondContact O-N 3.3Å
7M74.2Confident74.9Confident137 Ų137106.1 Ų106.168%0.67558%0.581SS**Hα-helixtrans-66-41.3176.8-69.3-67.5-178.600112.3A3 A4 Q10 M11A3-M7 WeakPolarHBondContact O-CG 3.47Å; A3-M7 PolarHBondContact O-N 3.41Å; A3-M7 VanDerWaalsContact O-N 3.11Å; A4-M7 PolarHBondContact O-N 3.39Å; M7-Q10 PolarHBondContact O-N 3.31Å; M7-M11 PolarHBondContact O-N 3.08Å
8N78.7Confident75.2Confident92 Ų92108.1 Ų108.149%0.49258%0.58SS.*Hα-helixtrans-66.8-39.8177.1-70.3-27000112.1A4 V5 M11 L12A4-N8 PolarHBondContact O-N 3.33Å; A4-N8 PolarHBondContact O-ND2 3.13Å; V5-N8 PolarHBondContact O-N 3.33Å; N8-M11 PolarHBondContact O-N 3.3Å; N8-L12 WeakPolarHBondContact O-CD1 3.26Å; N8-L12 PolarHBondContact O-N 3.21Å
9I81.4Confident75.2Confident92 Ų92107.6 Ų107.647%0.47258%0.576SS.*Hα-helixtrans-64.4-42.4174.9-68.8167000110.5V5 R6 M11 L12 L13V5-I9 HydrophobicContact CG1-CD1 3.74Å; V5-I9 HydrophobicContact CG1-CG1 4.41Å; V5-I9 WeakPolarHBondContact O-CB 2.98Å; V5-I9 WeakPolarHBondContact O-CD1 3.48Å; V5-I9 WeakPolarHBondContact O-CG1 3.43Å; V5-I9 PolarHBondContact O-N 3.21Å; R6-I9 PolarHBondContact O-N 3.03Å; I9-M11 VanDerWaalsContact C-N 3.33Å; I9-M11 PolarHBondContact O-N 3.41Å; I9-L12 PolarHBondContact O-N 3.22Å; I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 HydrophobicContact CG2-CG 4.36Å; I9-L13 WeakPolarHBondContact O-CG 3.45Å; I9-L13 PolarHBondContact O-N 3.09Å
10Q82.7Confident75Confident118 Ų118107.3 Ų107.355%0.55157%0.572SS**Hα-helixtrans-60.6-43.1176.9-167.766.233.200111.7R6 M7 L13 E14R6-Q10 WeakPolarHBondContact O-CB 3.44Å; R6-Q10 PolarHBondContact O-N 3.3Å; M7-Q10 PolarHBondContact O-N 3.31Å; Q10-L13 PolarHBondContact O-N 2.56Å; Q10-E14 WeakPolarHBondContact O-CB 3.2Å; Q10-E14 PolarHBondContact O-N 3.03Å
11M83.1Confident74.8Confident125 Ų125109.2 Ų109.262%0.61657%0.571SS**Hα-helixtrans-63.2-40.8174.8-99.9-178.447.500113M7 N8 I9 E14 A15M7-M11 PolarHBondContact O-N 3.08Å; N8-M11 PolarHBondContact O-N 3.3Å; I9-M11 VanDerWaalsContact C-N 3.33Å; I9-M11 PolarHBondContact O-N 3.41Å; M11-E14 PolarHBondContact O-N 3.03Å; M11-A15 VanDerWaalsContact O-CB 3.31Å; M11-A15 WeakPolarHBondContact O-CB 3.41Å; M11-A15 PolarHBondContact O-N 3.41Å
12L86.6Confident75.3Confident126 Ų126105.2 Ų105.266%0.6654%0.544SS*.Hα-helixtrans-67-39.4176.8-97.692.3000111.8N8 I9 A15 A16N8-L12 WeakPolarHBondContact O-CD1 3.26Å; N8-L12 PolarHBondContact O-N 3.21Å; I9-L12 PolarHBondContact O-N 3.22Å; L12-A15 PolarHBondContact O-N 3.37Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 2.97Å
13L84.6Confident75.4Confident98 Ų98108.3 Ų108.351%0.51355%0.546SS..Hα-helixtrans-65.1-42.2175.5-70.4170.8000111.3I9 Q10 A16 D17I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 HydrophobicContact CG2-CG 4.36Å; I9-L13 WeakPolarHBondContact O-CG 3.45Å; I9-L13 PolarHBondContact O-N 3.09Å; Q10-L13 PolarHBondContact O-N 2.56Å; L13-A16 PolarHBondContact O-N 3.5Å; L13-D17 PolarHBondContact O-N 3.32Å
14E85.4Confident75.5Confident133 Ų133110.8 Ų110.862%0.62154%0.54SS*.Hα-helixtrans-64.9-38.9175.4-174.3173.9-176.500112.2Q10 M11 Y18Q10-E14 WeakPolarHBondContact O-CB 3.2Å; Q10-E14 PolarHBondContact O-N 3.03Å; M11-E14 PolarHBondContact O-N 3.03Å; E14-Y18 WeakPolarHBondContact O-CB 3.23Å; E14-Y18 PolarHBondContact O-N 3.34Å
15A83.4Confident75.2Confident52 Ų52114.2 Ų114.243%0.4355%0.545SS..Hα-helixtrans-68-36.9174.700000112.5M11 L12 Y18 L19M11-A15 VanDerWaalsContact O-CB 3.31Å; M11-A15 WeakPolarHBondContact O-CB 3.41Å; M11-A15 PolarHBondContact O-N 3.41Å; L12-A15 PolarHBondContact O-N 3.37Å; A15-Y18 PolarHBondContact O-N 3.25Å; A15-L19 WeakPolarHBondContact O-CG 3.5Å; A15-L19 PolarHBondContact O-N 2.84Å
16A83Confident74.7Confident50 Ų50114.4 Ų114.441%0.41356%0.555SS.*Hα-helixtrans-66.2-47.5175.400000111.2L12 L13 Y18 L19 E20L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 2.97Å; L13-A16 PolarHBondContact O-N 3.5Å; A16-Y18 PolarHBondContact O-N 3.39Å; A16-L19 PolarHBondContact O-N 2.88Å; A16-E20 WeakPolarHBondContact O-CB 3.29Å; A16-E20 PolarHBondContact O-N 2.9Å
17D81.3Confident74.1Confident82 Ų82112.7 Ų112.744%0.43956%0.556SS.*Hα-helixtrans-57.7-38.3173.8-93.913.6000111.9L13 R21L13-D17 PolarHBondContact O-N 3.32Å; D17-R21 WeakPolarHBondContact O-CB 3.44Å; D17-R21 VanDerWaalsContact O-CG 3.26Å; D17-R21 WeakPolarHBondContact O-CG 3.44Å; D17-R21 PolarHBondContact O-N 3.49Å
18Y80.6Confident73Confident142 Ų142112.9 Ų112.956%0.55755%0.554SS**Hα-helixtrans-69.9-38.4178.2-179-97.6000112.8E14 A15 A16 R22E14-Y18 WeakPolarHBondContact O-CB 3.23Å; E14-Y18 PolarHBondContact O-N 3.34Å; A15-Y18 PolarHBondContact O-N 3.25Å; A16-Y18 PolarHBondContact O-N 3.39Å; Y18-R22 VanDerWaalsContact CE1-NH2 3.28Å; Y18-R22 VanDerWaalsContact O-CB 3.31Å; Y18-R22 WeakPolarHBondContact O-CB 3.5Å; Y18-R22 PolarHBondContact O-N 3.48Å; Y18-R22 PolarHBondContact OH-NH2 3.43Å; Y18-R22 VanDerWaalsContact OH-NH2 3.15Å
19L75.6Confident71.9Confident99 Ų99111.4 Ų111.452%0.51856%0.561SS.*Hα-helixtrans-68.4-41.2173.5-73.1173.1000111.5A15 A16 R21 R22 E23A15-L19 WeakPolarHBondContact O-CG 3.5Å; A15-L19 PolarHBondContact O-N 2.84Å; A16-L19 PolarHBondContact O-N 2.88Å; L19-R21 PolarHBondContact O-N 3.31Å; L19-R22 PolarHBondContact O-N 3.02Å; L19-E23 WeakPolarHBondContact O-CB 3.34Å; L19-E23 PolarHBondContact O-N 2.98Å
20E69.8Low70.5Confident102 Ų102118.3 Ų118.348%0.47758%0.583SS.*Hα-helixtrans-67.6-35.8179-156.6-170.3159.300112.1A16 R24A16-E20 WeakPolarHBondContact O-CB 3.29Å; A16-E20 PolarHBondContact O-N 2.9Å; E20-R24 VanDerWaalsContact CD-NH2 3.33Å; E20-R24 WeakPolarHBondContact O-CB 3.34Å; E20-R24 PolarHBondContact O-N 2.98Å; E20-R24 VanDerWaalsContact O-N 3.15Å; E20-R24 PolarHBondContact O-NH1 3.43Å; E20-R24 IonicContact OE1-NH2 3.54Å; E20-R24 PolarHBondContact OE1-NH2 2.9Å
21R70.7Confident69Low148 Ų148117 Ų11756%0.55859%0.592SS**Hα-helixtrans-65-45.5169.5-74.8175.8-165.5178.28.3111.7D17 L19 E23 R24 E25D17-R21 WeakPolarHBondContact O-CB 3.44Å; D17-R21 VanDerWaalsContact O-CG 3.26Å; D17-R21 WeakPolarHBondContact O-CG 3.44Å; D17-R21 PolarHBondContact O-N 3.49Å; L19-R21 PolarHBondContact O-N 3.31Å; R21-E23 VanDerWaalsContact C-N 3.34Å; R21-E23 PolarHBondContact O-N 3.43Å; R21-R24 PolarHBondContact O-N 3.46Å; R21-E25 WeakPolarHBondContact O-CB 3.38Å; R21-E25 VanDerWaalsContact O-CG 3.25Å; R21-E25 WeakPolarHBondContact O-CG 3.39Å; R21-E25 PolarHBondContact O-N 3.11Å
22R67.2Low68.1Low133 Ų133116 Ų11650%0.50260%0.597SS.*Hα-helixtrans-62.9-39178.7-176.7-170.2-77.3-168.7-6.6112.3Y18 L19 A26Y18-R22 VanDerWaalsContact CE1-NH2 3.28Å; Y18-R22 VanDerWaalsContact O-CB 3.31Å; Y18-R22 WeakPolarHBondContact O-CB 3.5Å; Y18-R22 PolarHBondContact O-N 3.48Å; Y18-R22 PolarHBondContact OH-NH2 3.43Å; Y18-R22 VanDerWaalsContact OH-NH2 3.15Å; L19-R22 PolarHBondContact O-N 3.02Å; R22-A26 WeakPolarHBondContact O-CB 3.39Å; R22-A26 PolarHBondContact O-N 3.12Å
23E57.2Low66Low137 Ų137118.1 Ų118.164%0.6461%0.606SS**Hα-helixtrans-70-40.9179.8-163.7167.6-149.900110.9L19 R21 E25 A26L19-E23 WeakPolarHBondContact O-CB 3.34Å; L19-E23 PolarHBondContact O-N 2.98Å; R21-E23 VanDerWaalsContact C-N 3.34Å; R21-E23 PolarHBondContact O-N 3.43Å; E23-E25 PolarHBondContact O-N 3.25Å; E23-A26 PolarHBondContact O-N 3.05Å
24R61.2Low64.1Low126 Ų126121 Ų12148%0.47562%0.621SS.*Hα-helixtrans-67.1-34.8174.5-154.5-178.6-63.3100.3-5.9113E20 R21 H28E20-R24 VanDerWaalsContact CD-NH2 3.33Å; E20-R24 WeakPolarHBondContact O-CB 3.34Å; E20-R24 PolarHBondContact O-N 2.98Å; E20-R24 VanDerWaalsContact O-N 3.15Å; E20-R24 PolarHBondContact O-NH1 3.43Å; E20-R24 IonicContact OE1-NH2 3.54Å; E20-R24 PolarHBondContact OE1-NH2 2.9Å; R21-R24 PolarHBondContact O-N 3.46Å; R24-H28 PolarHBondContact O-N 3.23Å
25E56Low62.5Low132 Ų132120.6 Ų120.662%0.61763%0.63SS**Hα-helixtrans-73.1-28.6174.9-74.2169.9-160.400113R21 E23 E27R21-E25 WeakPolarHBondContact O-CB 3.38Å; R21-E25 VanDerWaalsContact O-CG 3.25Å; R21-E25 WeakPolarHBondContact O-CG 3.39Å; R21-E25 PolarHBondContact O-N 3.11Å; E23-E25 PolarHBondContact O-N 3.25Å; E25-E27 VanDerWaalsContact C-N 3.29Å; E25-E27 PolarHBondContact O-N 3.07Å
26A59.5Low60.6Low85 Ų85128.2 Ų128.270%0.70265%0.649SS**Hα-helixtrans-70.2-25.2177.500000112.8R22 E23R22-A26 WeakPolarHBondContact O-CB 3.39Å; R22-A26 PolarHBondContact O-N 3.12Å; E23-A26 PolarHBondContact O-N 3.05Å
27E53.9Low59.1Low158 Ų158131.9 Ų131.974%0.73866%0.662SS**Hα-helixtrans-96.1-18177.6-63.3-167.2168.100113.8E25E25-E27 VanDerWaalsContact C-N 3.29Å; E25-E27 PolarHBondContact O-N 3.07Å
28H50.3Low57.6Low140 Ų140133.5 Ų133.565%0.64867%0.67SS**  trans-120.854.8-176.6-72.2-6.3000113.1R24 Y30R24-H28 PolarHBondContact O-N 3.23Å; H28-Y30 PolarHBondContact O-N 3.29Å
29G56.7Low56.1Low61 Ų61134.7 Ų134.763%0.62968%0.678SS**THydrogen-bonded Turntrans-66.125.1-177.700000117.9
30Y52.5Low54.9Low238 Ų238136.6 Ų136.693%0.93369%0.689SS**THydrogen-bonded Turntrans-143.734.5178.2-76.8-81.5000114.3H28H28-Y30 PolarHBondContact O-N 3.29Å
31A51.5Low54Low90 Ų90141 Ų14174%0.74470%0.701SS**SBendtrans-153.8112.2163.500000111.9
32S62.4Low52.9Low104 Ų104138 Ų13873%0.72770%0.696SS**  trans78103.5163.1-165.90000117.2
33M44.4Very low52.2Low171 Ų171134.2 Ų134.284%0.84269%0.694SS**  -157137113.9-74.4-42.7-92.500110.3
34L44.1Very low52.1Low158 Ų158134 Ų13483%0.82770%0.697SS**  trans-55.1163.1176.5-98.693.4000114.2Y36L34-Y36 PolarHBondContact O-N 3.3Å; L34-Y36 VanDerWaalsContact O-N 3.07Å
35P50.6Low51.7Low125 Ų125137.1 Ų137.181%0.81271%0.713SS**  trans-81.995.1-168.633.9-32.3000111.3
36Y43.4Very low51.6Low212 Ų212139.7 Ų139.783%0.83172%0.717SS**  trans-99.4105.5160.2-147.8-97.1000109.6L34 N38L34-Y36 PolarHBondContact O-N 3.3Å; L34-Y36 VanDerWaalsContact O-N 3.07Å; Y36-N38 PolarHBondContact O-N 3.08Å
37N52.5Low51.4Low127 Ų127145.5 Ų145.568%0.67972%0.721SS**  trans-1.678.7167.2-142.816.3000117
38N49.4Very low51.4Low115 Ų115145.2 Ų145.262%0.61573%0.725SS**  trans-101.656.2170.7-101-51.2000110.7Y36 D40Y36-N38 PolarHBondContact O-N 3.08Å; N38-D40 VanDerWaalsContact C-N 3.3Å; N38-D40 PolarHBondContact O-N 3.16Å
39K49.3Very low51.6Low167 Ų167147.3 Ų147.373%0.72673%0.732SS**THydrogen-bonded Turntrans-76.5-14.5178.9-75.6-177.5179.1176.90114
40D50.7Low51.5Low140 Ų140149.5 Ų149.575%0.74974%0.738SS**THydrogen-bonded Turntrans-106.3-20.4-174.8-62.5-50.6000115.1N38N38-D40 VanDerWaalsContact C-N 3.3Å; N38-D40 PolarHBondContact O-N 3.16Å
41R51Low51.8Low194 Ų194148 Ų14873%0.73274%0.736SS**Hα-helixtrans-79.9-24.9-179.6-83.4-72.1-169.6-169.31113.8
42D47.9Very low52.2Low84 Ų84152.2 Ų152.245%0.44974%0.738SS.*Hα-helixtrans-80-20.1178.9-92.51.9000113.7R46D42-R46 WeakPolarHBondContact O-CB 3.49Å; D42-R46 VanDerWaalsContact O-CG 3.26Å; D42-R46 WeakPolarHBondContact O-CG 3.47Å; D42-R46 PolarHBondContact O-N 3.38Å; D42-R46 IonicContact OD2-CZ 3.44Å; D42-R46 IonicContact OD2-NE 3.61Å; D42-R46 IonicContact OD2-NH2 2.77Å; D42-R46 PolarHBondContact OD2-NH2 2.82Å
43A51.1Low52Low55 Ų55152.1 Ų152.146%0.45573%0.729SS.*Hα-helixtrans-74.1-28.5-178.800000113.1
44L55.1Low52.7Low133 Ų133150 Ų15070%0.69672%0.721SS**Hα-helixtrans-87.2-32.6-178.5-103.770.3000113.7
45K52.9Low53.7Low191 Ų191147.1 Ų147.183%0.8371%0.714SS**Hα-helixtrans-83.4-18.6178.4-78.1-168.3177-177.40114
46R54.4Low54.8Low185 Ų185144 Ų14470%0.69870%0.695SS**THydrogen-bonded Turntrans-83.6-5.4175.7-66.9-176.1-159.5-161.49.6114.5D42D42-R46 WeakPolarHBondContact O-CB 3.49Å; D42-R46 VanDerWaalsContact O-CG 3.26Å; D42-R46 WeakPolarHBondContact O-CG 3.47Å; D42-R46 PolarHBondContact O-N 3.38Å; D42-R46 IonicContact OD2-CZ 3.44Å; D42-R46 IonicContact OD2-NE 3.61Å; D42-R46 IonicContact OD2-NH2 2.77Å; D42-R46 PolarHBondContact OD2-NH2 2.82Å
47R54.7Low56.8Low207 Ų207137.4 Ų137.478%0.78168%0.68SS**SBendtrans-94.3-8.7-177.9-90.1168.663.7178.6-0.8115.9
48N53.8Low58.6Low153 Ų153139.7 Ų139.782%0.81868%0.679SS**SBendtrans-11218.8-177.9-77.2-3.1000115.1
49K55Low60.6Low183 Ų183137.9 Ų137.980%0.79668%0.676SS**SBendtrans-104.787.8155.3-149.4153-171.9159.50106.1K51K49-K51 PolarHBondContact O-N 2.83Å
50S55.9Low62.8Low107 Ų107133.4 Ų133.475%0.74866%0.662SS**  trans-56.279.317039.30000109.6K52S50-K52 PolarHBondContact O-N 3.01Å
51K58.4Low65Low208 Ų208132 Ų13290%0.90465%0.651SS**  trans-70.438.1162.4-108.9179.5178.4172.30110K49K49-K51 PolarHBondContact O-N 2.83Å
52K59.7Low67.2Low178 Ų178127.1 Ų127.177%0.77464%0.64SS**  trans-124.4101.5-173.6-152.5169-174.1177.80107.2S50S50-K52 PolarHBondContact O-N 3.01Å
53N56.8Low69.5Low101 Ų101128.3 Ų128.354%0.5464%0.642SS.*  trans131.57.9159.2-64.9-5.2000117.3S55 S56 S57N53-S55 PolarHBondContact O-N 3.42Å; N53-S55 VanDerWaalsContact O-N 3.16Å; N53-S56 PolarHBondContact O-N 2.86Å; N53-S56 VanDerWaalsContact O-N 3.07Å; N53-S57 PolarHBondContact O-N 3.26Å; N53-S57 VanDerWaalsContact O-N 3.12Å; N53-S57 PolarHBondContact O-OG 2.9Å
54N60.2Low71.7Confident127 Ų127131.6 Ų131.668%0.67965%0.65SS**Hα-helixtrans-59-26.7170-9549.6000113.5R58N54-R58 WeakPolarHBondContact O-CB 3.24Å; N54-R58 WeakPolarHBondContact O-CD 3.38Å; N54-R58 WeakPolarHBondContact O-CG 3.34Å; N54-R58 PolarHBondContact O-N 3.2Å
55S64.8Low73.7Confident97 Ų97127.4 Ų127.468%0.67863%0.627SS**Hα-helixtrans-75.6-33.4175.178.60000112.6N53 R58 S59N53-S55 PolarHBondContact O-N 3.42Å; N53-S55 VanDerWaalsContact O-N 3.16Å; S55-R58 PolarHBondContact O-N 3.47Å; S55-S59 WeakPolarHBondContact O-CB 3.38Å; S55-S59 PolarHBondContact O-N 3.39Å
56S73.9Confident75.9Confident60 Ų60124.3 Ų124.342%0.4261%0.613SS.*Hα-helixtrans-67-47.7176.8-178.70000110.5N53 R58 S59 T60N53-S56 PolarHBondContact O-N 2.86Å; N53-S56 VanDerWaalsContact O-N 3.07Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 3.34Å; S56-S59 WeakPolarHBondContact O-CB 3.46Å; S56-S59 PolarHBondContact O-N 3.45Å; S56-S59 VanDerWaalsContact O-N 3.14Å; S56-T60 WeakPolarHBondContact O-CG2 3.4Å; S56-T60 PolarHBondContact O-N 2.96Å; S56-T60 PolarHBondContact O-OG1 3.27Å
57S85Confident78Confident74 Ų74121 Ų12152%0.51761%0.609SS.*Hα-helixtrans-62.7-33175.6-53.90000113.5N53 T60 H61N53-S57 PolarHBondContact O-N 3.26Å; N53-S57 VanDerWaalsContact O-N 3.12Å; N53-S57 PolarHBondContact O-OG 2.9Å; S57-T60 WeakPolarHBondContact CA-OG1 3.3Å; S57-T60 PolarHBondContact O-OG1 3.48Å; S57-H61 WeakPolarHBondContact O-CB 3.34Å; S57-H61 PolarHBondContact O-N 3.42Å; S57-H61 VanDerWaalsContact O-N 3.13Å
58R90.8Very high80.1Confident175 Ų175117.3 Ų117.366%0.6660%0.596SS**Hα-helixtrans-71.1-40.1173.4-76.7175.5119.4120.13.6112.1N54 S55 S56 H61 N62N54-R58 WeakPolarHBondContact O-CB 3.24Å; N54-R58 WeakPolarHBondContact O-CD 3.38Å; N54-R58 WeakPolarHBondContact O-CG 3.34Å; N54-R58 PolarHBondContact O-N 3.2Å; S55-R58 PolarHBondContact O-N 3.47Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 3.34Å; R58-H61 PolarHBondContact O-N 2.93Å; R58-N62 VanDerWaalsContact O-CG 3.23Å; R58-N62 PolarHBondContact O-N 2.93Å; R58-N62 PolarHBondContact O-OD1 3.28Å
59S91.7Very high82.2Confident77 Ų77116.4 Ų116.454%0.53858%0.581SS.*Hα-helixtrans-64.3-46.5177.3-168.50000111.3S55 S56 H61 N62 E63S55-S59 WeakPolarHBondContact O-CB 3.38Å; S55-S59 PolarHBondContact O-N 3.39Å; S56-S59 WeakPolarHBondContact O-CB 3.46Å; S56-S59 PolarHBondContact O-N 3.45Å; S56-S59 VanDerWaalsContact O-N 3.14Å; S59-H61 PolarHBondContact O-N 3.2Å; S59-N62 PolarHBondContact O-N 2.98Å; S59-E63 PolarHBondContact O-N 2.83Å
60T95.2Very high84.3Confident73 Ų73110.1 Ų110.145%0.44856%0.563SS.*Hα-helixtrans-62.2-42.2176.456.80000111.9S56 S57 N62 E63 M64S56-T60 WeakPolarHBondContact O-CG2 3.4Å; S56-T60 PolarHBondContact O-N 2.96Å; S56-T60 PolarHBondContact O-OG1 3.27Å; S57-T60 WeakPolarHBondContact CA-OG1 3.3Å; S57-T60 PolarHBondContact O-OG1 3.48Å; T60-N62 PolarHBondContact O-N 2.97Å; T60-E63 PolarHBondContact O-N 3.03Å; T60-M64 WeakPolarHBondContact O-CG 3.39Å; T60-M64 PolarHBondContact O-N 2.9Å
61H96.1Very high86.3Confident111 Ų111110.6 Ų110.651%0.51455%0.553SS.*Hα-helixtrans-57.9-46.8173.2176-81.7000112.3S57 R58 S59 E63 M64 E65S57-H61 WeakPolarHBondContact O-CB 3.34Å; S57-H61 PolarHBondContact O-N 3.42Å; S57-H61 VanDerWaalsContact O-N 3.13Å; R58-H61 PolarHBondContact O-N 2.93Å; S59-H61 PolarHBondContact O-N 3.2Å; H61-E63 VanDerWaalsContact C-N 3.31Å; H61-E63 PolarHBondContact O-N 3.28Å; H61-M64 PolarHBondContact O-N 3.39Å; H61-E65 WeakPolarHBondContact O-CB 3.46Å; H61-E65 PolarHBondContact O-N 3.2Å
62N97Very high88.2Confident91 Ų91104.5 Ų104.549%0.48753%0.53SS..Hα-helixtrans-62.9-38.9178.9-72.4-9.4000112.1R58 S59 T60 E65 K66R58-N62 VanDerWaalsContact O-CG 3.23Å; R58-N62 PolarHBondContact O-N 2.93Å; R58-N62 PolarHBondContact O-OD1 3.28Å; S59-N62 PolarHBondContact O-N 2.98Å; T60-N62 PolarHBondContact O-N 2.97Å; N62-E65 PolarHBondContact O-N 3.4Å; N62-K66 VanDerWaalsContact O-CG 3.32Å; N62-K66 WeakPolarHBondContact O-CG 3.4Å; N62-K66 PolarHBondContact O-N 3.48Å
63E97.2Very high89.9Confident108 Ų108103.9 Ų103.951%0.50552%0.523SS..Hα-helixtrans-67.2-42.8178.1-16159.8-159.200111.8S59 T60 H61 E65 K66 N67S59-E63 PolarHBondContact O-N 2.83Å; T60-E63 PolarHBondContact O-N 3.03Å; H61-E63 VanDerWaalsContact C-N 3.31Å; H61-E63 PolarHBondContact O-N 3.28Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 3Å; E63-K66 PolarHBondContact O-N 3.26Å; E63-K66 IonicContact OE2-NZ 3.04Å; E63-K66 PolarHBondContact OE2-NZ 3.04Å; E63-N67 PolarHBondContact O-N 3.19Å
64M97.3Very high91.8Very high124 Ų124102.7 Ų102.761%0.61152%0.516SS*.Hα-helixtrans-60.1-43172.4-70-172.5-63.500111.7T60 H61 N67 R68T60-M64 WeakPolarHBondContact O-CG 3.39Å; T60-M64 PolarHBondContact O-N 2.9Å; H61-M64 PolarHBondContact O-N 3.39Å; M64-N67 PolarHBondContact O-N 2.77Å; M64-R68 WeakPolarHBondContact O-CB 3.4Å; M64-R68 PolarHBondContact O-N 3.09Å
65E97.9Very high93.6Very high46 Ų4699.2 Ų99.222%0.21550%0.501CS..Hα-helixtrans-67.8-36.5178.7178.156.6-162.100112.2H61 N62 E63 R68 R69H61-E65 WeakPolarHBondContact O-CB 3.46Å; H61-E65 PolarHBondContact O-N 3.2Å; N62-E65 PolarHBondContact O-N 3.4Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 3Å; E65-R68 PolarHBondContact O-N 3.05Å; E65-R68 IonicContact OE1-CZ 3.74Å; E65-R68 IonicContact OE1-NE 3.6Å; E65-R68 IonicContact OE1-NH2 3.9Å; E65-R68 PolarHBondContact OE1-NH2 2.9Å; E65-R68 IonicContact OE2-CZ 2.79Å; E65-R68 IonicContact OE2-NE 2.76Å; E65-R68 PolarHBondContact OE2-NE 3.32Å; E65-R68 IonicContact OE2-NH2 2.84Å; E65-R68 PolarHBondContact OE2-NH2 3.48Å; E65-R69 WeakPolarHBondContact O-CB 3.44Å; E65-R69 VanDerWaalsContact O-CG 3.27Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 3.1Å; E65-R69 IonicContact OE1-CZ 3.55Å; E65-R69 IonicContact OE1-NE 2.8Å; E65-R69 PolarHBondContact OE1-NE 3.31Å; E65-R69 IonicContact OE1-NH2 3.44Å; E65-R69 PolarHBondContact OE1-NH2 3.03Å
66K98.4Very high95.1Very high125 Ų12596.1 Ų96.154%0.54348%0.477SS..Hα-helixtrans-61.9-47.2171.8-75.3174.8-166.5164.90111.3N62 E63 R69 A70N62-K66 VanDerWaalsContact O-CG 3.32Å; N62-K66 WeakPolarHBondContact O-CG 3.4Å; N62-K66 PolarHBondContact O-N 3.48Å; E63-K66 PolarHBondContact O-N 3.26Å; E63-K66 IonicContact OE2-NZ 3.04Å; E63-K66 PolarHBondContact OE2-NZ 3.04Å; K66-R69 PolarHBondContact O-N 3.47Å; K66-A70 PolarHBondContact O-N 3.17Å
67N98.3Very high96.1Very high116 Ų11699.9 Ų99.962%0.6249%0.488SS*.Hα-helixtrans-60.6-46.7177.9-175.6-82.2000110.9E63 M64 R69 A70 H71E63-N67 PolarHBondContact O-N 3.19Å; M64-N67 PolarHBondContact O-N 2.77Å; N67-R69 VanDerWaalsContact C-N 3.31Å; N67-R69 PolarHBondContact O-N 2.85Å; N67-A70 WeakPolarHBondContact O-CB 3.49Å; N67-A70 PolarHBondContact O-N 3.08Å; N67-A70 VanDerWaalsContact O-N 3.12Å; N67-H71 PolarHBondContact O-N 3.03Å
68R98.4Very high96.6Very high130 Ų130103 Ų10349%0.49149%0.492SS..Hα-helixtrans-56.7-43.6175.2-165.4-164.369.176.82111.9M64 E65 H71 L72M64-R68 WeakPolarHBondContact O-CB 3.4Å; M64-R68 PolarHBondContact O-N 3.09Å; E65-R68 PolarHBondContact O-N 3.05Å; E65-R68 IonicContact OE1-CZ 3.74Å; E65-R68 IonicContact OE1-NE 3.6Å; E65-R68 IonicContact OE1-NH2 3.9Å; E65-R68 PolarHBondContact OE1-NH2 2.9Å; E65-R68 IonicContact OE2-CZ 2.79Å; E65-R68 IonicContact OE2-NE 2.76Å; E65-R68 PolarHBondContact OE2-NE 3.32Å; E65-R68 IonicContact OE2-NH2 2.84Å; E65-R68 PolarHBondContact OE2-NH2 3.48Å; R68-H71 PolarHBondContact O-N 2.72Å; R68-L72 PolarHBondContact O-N 3.33Å
69R98.1Very high96.8Very high133 Ų13396.8 Ų96.850%0.50247%0.472SS..Hα-helixtrans-67-38.4176.3-74.2178.3-173.3-165.71.4112.7E65 K66 N67 L72 R73E65-R69 WeakPolarHBondContact O-CB 3.44Å; E65-R69 VanDerWaalsContact O-CG 3.27Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 3.1Å; E65-R69 IonicContact OE1-CZ 3.55Å; E65-R69 IonicContact OE1-NE 2.8Å; E65-R69 PolarHBondContact OE1-NE 3.31Å; E65-R69 IonicContact OE1-NH2 3.44Å; E65-R69 PolarHBondContact OE1-NH2 3.03Å; K66-R69 PolarHBondContact O-N 3.47Å; N67-R69 VanDerWaalsContact C-N 3.31Å; N67-R69 PolarHBondContact O-N 2.85Å; R69-L72 PolarHBondContact O-N 2.93Å; R69-R73 WeakPolarHBondContact O-CG 3.46Å; R69-R73 PolarHBondContact O-N 3.03Å
70A98.4Very high96.9Very high51 Ų5196.5 Ų96.542%0.42146%0.461SS..Hα-helixtrans-62.7-46.417500000110.9K66 N67 L72 R73 L74K66-A70 PolarHBondContact O-N 3.17Å; N67-A70 WeakPolarHBondContact O-CB 3.49Å; N67-A70 PolarHBondContact O-N 3.08Å; N67-A70 VanDerWaalsContact O-N 3.12Å; A70-L72 PolarHBondContact O-N 3.46Å; A70-R73 PolarHBondContact O-N 3.47Å; A70-L74 PolarHBondContact O-N 3.42Å; A70-L74 VanDerWaalsContact O-N 3.09Å
71H98.4Very high96.7Very high117 Ų11796.4 Ų96.454%0.54247%0.474SS..Hα-helixtrans-59.3-45175.1-175.9-93.9000112N67 R68 R73 L74 C75N67-H71 PolarHBondContact O-N 3.03Å; R68-H71 PolarHBondContact O-N 2.72Å; H71-R73 VanDerWaalsContact C-N 3.34Å; H71-R73 PolarHBondContact O-N 3.12Å; H71-L74 WeakPolarHBondContact O-CB 3.44Å; H71-L74 PolarHBondContact O-N 3.22Å; H71-C75 PolarHBondContact CE1-SG 3.46Å; H71-C75 PolarHBondContact O-N 3.28Å; H71-C75 PolarHBondContact O-SG 2.88Å
72L97.9Very high96.7Very high81 Ų8197.6 Ų97.642%0.42448%0.483SS..Hα-helixtrans-58.5-44176.4177.361000112.2R68 R69 A70 L74 C75 L76R68-L72 PolarHBondContact O-N 3.33Å; R69-L72 PolarHBondContact O-N 2.93Å; A70-L72 PolarHBondContact O-N 3.46Å; L72-L74 VanDerWaalsContact C-N 3.31Å; L72-L74 PolarHBondContact O-N 3.16Å; L72-C75 PolarHBondContact O-N 3.32Å; L72-L76 HydrophobicContact CD1-CD1 4.29Å; L72-L76 HydrophobicContact CD1-CG 4.26Å; L72-L76 HydrophobicContact CG-CD1 4.16Å; L72-L76 WeakPolarHBondContact O-CG 3.46Å; L72-L76 PolarHBondContact O-N 3.2Å
73R96.4Very high96.5Very high164 Ų16493.8 Ų93.862%0.61946%0.463SS*.Hα-helixtrans-59.8-43.5176.9-72.2178.6-171.7121-4.6111.5R69 A70 H71 L76 E77R69-R73 WeakPolarHBondContact O-CG 3.46Å; R69-R73 PolarHBondContact O-N 3.03Å; A70-R73 PolarHBondContact O-N 3.47Å; H71-R73 VanDerWaalsContact C-N 3.34Å; H71-R73 PolarHBondContact O-N 3.12Å; R73-L76 PolarHBondContact O-N 3.22Å; R73-E77 WeakPolarHBondContact O-CB 3.41Å; R73-E77 PolarHBondContact O-N 3.39Å
74L97.3Very high96.3Very high77 Ų7792.7 Ų92.740%0.40347%0.466SS..Hα-helixtrans-62.9-41.5176.9179.3144.4000112.2A70 H71 L72 E77 K78A70-L74 PolarHBondContact O-N 3.42Å; A70-L74 VanDerWaalsContact O-N 3.09Å; H71-L74 WeakPolarHBondContact O-CB 3.44Å; H71-L74 PolarHBondContact O-N 3.22Å; L72-L74 VanDerWaalsContact C-N 3.31Å; L72-L74 PolarHBondContact O-N 3.16Å; L74-E77 PolarHBondContact O-N 3.12Å; L74-K78 HydrophobicContact CD2-CD 4.01Å; L74-K78 WeakPolarHBondContact O-CG 3.45Å; L74-K78 PolarHBondContact O-N 3.49Å
75C97.7Very high95.7Very high54 Ų5487.4 Ų87.437%0.36544%0.44SS..Hα-helixtrans-62-42.7173.8-69.40000112.2H71 L72 K78 L79H71-C75 PolarHBondContact CE1-SG 3.46Å; H71-C75 PolarHBondContact O-N 3.28Å; H71-C75 PolarHBondContact O-SG 2.88Å; L72-C75 PolarHBondContact O-N 3.32Å; C75-K78 PolarHBondContact O-N 2.98Å; C75-L79 WeakPolarHBondContact O-CB 3.35Å; C75-L79 PolarHBondContact O-N 3.47Å
76L95.6Very high94.8Very high31 Ų3187.5 Ų87.516%0.16245%0.454CS..Hα-helixtrans-66.7-38.4177.8-68.3172.3000111.8L72 R73 L79 K80 T94 L97L72-L76 HydrophobicContact CD1-CD1 4.29Å; L72-L76 HydrophobicContact CD1-CG 4.26Å; L72-L76 HydrophobicContact CG-CD1 4.16Å; L72-L76 WeakPolarHBondContact O-CG 3.46Å; L72-L76 PolarHBondContact O-N 3.2Å; R73-L76 PolarHBondContact O-N 3.22Å; L76-L79 WeakPolarHBondContact O-CB 3.41Å; L76-L79 PolarHBondContact O-N 3.11Å; L76-K80 WeakPolarHBondContact O-CG 3.44Å; L76-K80 PolarHBondContact O-N 3.01Å; L76-T94 HydrophobicContact CD1-CG2 3.92Å; L76-T94 HydrophobicContact CD2-CG2 3.95Å; L76-L97 HydrophobicContact CB-CD2 4.35Å; L76-L97 HydrophobicContact CD2-CD2 4.1Å
77E94.2Very high93.6Very high140 Ų14087.9 Ų87.965%0.65447%0.469SS*.Hα-helixtrans-62.8-46.3175.3-175.1176.2-170.600111.9R73 L74 L79 K80 G81R73-E77 WeakPolarHBondContact O-CB 3.41Å; R73-E77 PolarHBondContact O-N 3.39Å; L74-E77 PolarHBondContact O-N 3.12Å; E77-L79 VanDerWaalsContact C-N 3.28Å; E77-L79 PolarHBondContact O-N 3.33Å; E77-K80 WeakPolarHBondContact O-CB 3.36Å; E77-K80 PolarHBondContact O-N 3.37Å; E77-K80 VanDerWaalsContact O-N 3.11Å; E77-G81 PolarHBondContact O-N 3.26Å
78K95.6Very high92Very high140 Ų14088 Ų8861%0.60947%0.465SS*.Hα-helixtrans-56.9-43.7172-73.2178.8176.6-177.80111.7L74 C75 K80 G81 L82L74-K78 HydrophobicContact CD2-CD 4.01Å; L74-K78 WeakPolarHBondContact O-CG 3.45Å; L74-K78 PolarHBondContact O-N 3.49Å; C75-K78 PolarHBondContact O-N 2.98Å; K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 3.4Å; K78-G81 PolarHBondContact O-N 3.15Å; K78-G81 VanDerWaalsContact O-N 3.15Å; K78-L82 PolarHBondContact O-N 3.38Å
79L95.7Very high90.6Very high44 Ų4484.4 Ų84.423%0.2346%0.461CS..Hα-helixtrans-61.4-38.7177.4-178.861.7000111.9C75 L76 E77 G81 L82 V83 L97 L98 A101C75-L79 WeakPolarHBondContact O-CB 3.35Å; C75-L79 PolarHBondContact O-N 3.47Å; L76-L79 WeakPolarHBondContact O-CB 3.41Å; L76-L79 PolarHBondContact O-N 3.11Å; E77-L79 VanDerWaalsContact C-N 3.28Å; E77-L79 PolarHBondContact O-N 3.33Å; L79-G81 PolarHBondContact O-N 2.94Å; L79-L82 PolarHBondContact O-N 2.93Å; L79-L82 VanDerWaalsContact O-N 3.1Å; L79-V83 HydrophobicContact CD1-CG2 3.74Å; L79-V83 HydrophobicContact CG-CG2 4.09Å; L79-V83 WeakPolarHBondContact O-CG2 2.92Å; L79-V83 PolarHBondContact O-N 3.07Å; L79-V83 VanDerWaalsContact O-N 3.13Å; L79-L97 HydrophobicContact CB-CD2 4.36Å; L79-L97 HydrophobicContact CD2-CD1 4.41Å; L79-L97 HydrophobicContact CD2-CD2 3.97Å; L79-L97 HydrophobicContact CD2-CG 3.83Å; L79-L97 HydrophobicContact CG-CD1 4.18Å; L79-L97 HydrophobicContact CG-CD2 4.21Å; L79-L97 HydrophobicContact CG-CG 4.12Å; L79-L98 HydrophobicContact CD2-CD2 3.94Å; L79-A101 HydrophobicContact CD1-CB 4.02Å; L79-A101 HydrophobicContact CD2-CB 4.27Å; L79-A101 HydrophobicContact CG-CB 4.47Å
80K93.3Very high89.2Confident71 Ų7183 Ų8331%0.30947%0.471SS..Hα-helixtrans-60.7-31176.4-69.917570.8177.90113L76 E77 K78 L85 S89 L97L76-K80 WeakPolarHBondContact O-CG 3.44Å; L76-K80 PolarHBondContact O-N 3.01Å; E77-K80 WeakPolarHBondContact O-CB 3.36Å; E77-K80 PolarHBondContact O-N 3.37Å; E77-K80 VanDerWaalsContact O-N 3.11Å; K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 3.4Å; K80-L85 HydrophobicContact CB-CD1 3.87Å; K80-L85 HydrophobicContact CG-CD1 3.87Å; K80-S89 WeakPolarHBondContact CE-O 3.36Å; K80-S89 PolarHBondContact NZ-O 2.87Å; K80-L97 HydrophobicContact CD-CD2 4.45Å; K80-L97 HydrophobicContact CG-CD1 3.87Å; K80-L97 HydrophobicContact CG-CD2 3.62Å; K80-L97 HydrophobicContact CG-CG 4.39Å
81G92.3Very high88.5Confident71 Ų7190.8 Ų90.873%0.73249%0.489SS*.Hα-helixtrans-73.3-24.2176.200000114.2E77 K78 L79E77-G81 PolarHBondContact O-N 3.26Å; K78-G81 PolarHBondContact O-N 3.15Å; K78-G81 VanDerWaalsContact O-N 3.15Å; L79-G81 PolarHBondContact O-N 2.94Å
82L94.4Very high87.9Confident135 Ų13587 Ų8771%0.70747%0.472SS*.Hα-helixtrans-92.6-25.5-179-63175.9000113.2K78 L79K78-L82 PolarHBondContact O-N 3.38Å; L79-L82 PolarHBondContact O-N 2.93Å; L79-L82 VanDerWaalsContact O-N 3.1Å
83V94.6Very high87.7Confident11 Ų1187.4 Ų87.47%0.06748%0.478CS..SBendtrans-91.4133.9-177-178.30000109.5L79 L85 L97 K100 A101L79-V83 HydrophobicContact CD1-CG2 3.74Å; L79-V83 HydrophobicContact CG-CG2 4.09Å; L79-V83 WeakPolarHBondContact O-CG2 2.92Å; L79-V83 PolarHBondContact O-N 3.07Å; L79-V83 VanDerWaalsContact O-N 3.13Å; V83-L85 HydrophobicContact CB-CD2 4.06Å; V83-L85 HydrophobicContact CB-CG 4.08Å; V83-L85 HydrophobicContact CG1-CD2 3.52Å; V83-L85 HydrophobicContact CG1-CG 4.01Å; V83-L85 WeakPolarHBondContact O-CG 3.31Å; V83-L85 PolarHBondContact O-N 3.13Å; V83-L97 HydrophobicContact CB-CD1 4.39Å; V83-L97 HydrophobicContact CG2-CD1 4.35Å; V83-K100 HydrophobicContact CG1-CB 3.94Å; V83-A101 HydrophobicContact CG2-CB 3.67Å
84P91.6Very high87.6Confident86 Ų8683.3 Ų83.356%0.55847%0.471SS*.  trans-71.590.8173.228.4-33.5000110H104P84-H104 VanDerWaalsContact CD-CD2 3.46Å; P84-H104 WeakPolarHBondContact CD-CD2 3.36Å; P84-H104 VanDerWaalsContact CD-CG 3.46Å
85L84.9Confident87.6Confident12 Ų1285.8 Ų85.86%0.06348%0.484CS..  trans-93.1-9.6-176.6-63.3176000114K80 V83 H92 L97 K100K80-L85 HydrophobicContact CB-CD1 3.87Å; K80-L85 HydrophobicContact CG-CD1 3.87Å; V83-L85 HydrophobicContact CB-CD2 4.06Å; V83-L85 HydrophobicContact CB-CG 4.08Å; V83-L85 HydrophobicContact CG1-CD2 3.52Å; V83-L85 HydrophobicContact CG1-CG 4.01Å; V83-L85 WeakPolarHBondContact O-CG 3.31Å; V83-L85 PolarHBondContact O-N 3.13Å; L85-H92 PolarHBondContact O-CE1 3.27Å; L85-L97 HydrophobicContact CD1-CD1 3.7Å; L85-L97 HydrophobicContact CD2-CD1 3.92Å; L85-L97 HydrophobicContact CG-CD1 4.33Å; L85-K100 HydrophobicContact CD2-CB 4.15Å; L85-K100 HydrophobicContact CD2-CD 3.59Å
86G79.3Confident87.4Confident49 Ų4985 Ų8551%0.50548%0.479SS..  trans71.2-174.8-175.200000113.3E88 S89G86-E88 PolarHBondContact O-N 2.81Å; G86-E88 VanDerWaalsContact O-N 3.12Å; G86-S89 PolarHBondContact O-N 3.14Å
87P72.3Confident87.3Confident133 Ų13383.7 Ų83.786%0.86447%0.473SS*.THydrogen-bonded Turntrans-63.1-16.4-177.723.6-32.5000113.9S89P87-S89 PolarHBondContact O-N 2.92Å; P87-S89 VanDerWaalsContact O-N 3.16Å
88E65.4Low87.4Confident117 Ų11781.3 Ų81.355%0.54746%0.464SS..THydrogen-bonded Turntrans-79.716.7174.9-63.9-55.414000114.3G86 S90 R91 H92G86-E88 PolarHBondContact O-N 2.81Å; G86-E88 VanDerWaalsContact O-N 3.12Å; E88-S90 PolarHBondContact O-N 3.33Å; E88-R91 PolarHBondContact O-N 3.43Å; E88-R91 VanDerWaalsContact O-N 3.12Å; E88-H92 PolarHBondContact O-CE1 3.12Å; E88-H92 PolarHBondContact O-ND1 3.16Å
89S69.3Low87.4Confident56 Ų5678.7 Ų78.739%0.39246%0.46SS..G310 helixtrans-54.4-24.8-171.978.60000114.2K80 G86 P87K80-S89 WeakPolarHBondContact CE-O 3.36Å; K80-S89 PolarHBondContact NZ-O 2.87Å; G86-S89 PolarHBondContact O-N 3.14Å; P87-S89 PolarHBondContact O-N 2.92Å; P87-S89 VanDerWaalsContact O-N 3.16Å
90S69Low87.4Confident103 Ų10380.6 Ų80.672%0.7247%0.466SS*.G310 helixtrans-71.9-36.1-179.7-175.60000114.1E88 H92E88-S90 PolarHBondContact O-N 3.33Å; S90-H92 PolarHBondContact O-N 2.98Å
91R82.3Confident87.6Confident214 Ų21477.8 Ų77.881%0.80846%0.456SS*.G310 helixtrans-93.39.4-169.2-69.7-177.1178.8-157.11.9115.9E88 T93E88-R91 PolarHBondContact O-N 3.43Å; E88-R91 VanDerWaalsContact O-N 3.12Å; R91-T93 PolarHBondContact O-N 2.98Å
92H87.8Confident87.8Confident38 Ų3881.1 Ų81.118%0.17645%0.451CS..  trans-75.7128.9-173.4-73.670.5000112.3L85 E88 S90 K100L85-H92 PolarHBondContact O-CE1 3.27Å; E88-H92 PolarHBondContact O-CE1 3.12Å; E88-H92 PolarHBondContact O-ND1 3.16Å; S90-H92 PolarHBondContact O-N 2.98Å; H92-K100 PolarHBondContact NE2-NZ 3.35Å
93T93.5Very high88Confident90 Ų9079 Ų7955%0.55244%0.439SS*.  trans-74156.7168.5680000110.6R91 L95 S96 L97R91-T93 PolarHBondContact O-N 2.98Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.95Å; T93-S96 PolarHBondContact N-OG 2.99Å; T93-S96 PolarHBondContact O-N 2.6Å; T93-S96 VanDerWaalsContact O-N 3.14Å; T93-S96 PolarHBondContact O-OG 3.12Å; T93-S96 WeakPolarHBondContact OG1-CB 3.37Å; T93-S96 PolarHBondContact OG1-N 3.48Å; T93-S96 PolarHBondContact OG1-OG 3.07Å; T93-L97 PolarHBondContact O-N 2.94Å
94T94.5Very high88.1Confident78 Ų7880.7 Ų80.748%0.47945%0.446SS..Hα-helixtrans-53.9-42.4177.1-52.80000112.3L76 L97 L98L76-T94 HydrophobicContact CD1-CG2 3.92Å; L76-T94 HydrophobicContact CD2-CG2 3.95Å; T94-L97 PolarHBondContact O-N 2.94Å; T94-L98 HydrophobicContact CG2-CD1 4.06Å; T94-L98 HydrophobicContact CG2-CG 4.48Å; T94-L98 VanDerWaalsContact O-CG 3.27Å; T94-L98 WeakPolarHBondContact O-CG 3.36Å; T94-L98 PolarHBondContact O-N 3.44Å
95L95.4Very high88.4Confident128 Ų12881.1 Ų81.167%0.6744%0.443SS*.Hα-helixtrans-63.6-48.1178.4-179.761.6000111.6T93 L97 L98 T99T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.95Å; L95-L97 VanDerWaalsContact C-N 3.27Å; L95-L97 PolarHBondContact O-N 3.19Å; L95-L98 PolarHBondContact O-N 3.09Å; L95-T99 PolarHBondContact O-N 3.22Å; L95-T99 PolarHBondContact O-OG1 2.78Å; L95-T99 VanDerWaalsContact O-OG1 3.06Å
96S93.6Very high89.1Confident37 Ų3785.9 Ų85.926%0.25946%0.463SS..Hα-helixtrans-59.9-39179.6710000112.3T93 K100T93-S96 PolarHBondContact N-OG 2.99Å; T93-S96 PolarHBondContact O-N 2.6Å; T93-S96 VanDerWaalsContact O-N 3.14Å; T93-S96 PolarHBondContact O-OG 3.12Å; T93-S96 WeakPolarHBondContact OG1-CB 3.37Å; T93-S96 PolarHBondContact OG1-N 3.48Å; T93-S96 PolarHBondContact OG1-OG 3.07Å; S96-K100 WeakPolarHBondContact O-CB 3.43Å; S96-K100 WeakPolarHBondContact O-CG 3.49Å; S96-K100 PolarHBondContact O-N 2.76Å
97L94.9Very high90Very high5 Ų589.3 Ų89.33%0.02646%0.464CS..Hα-helixtrans-63.2-49.7176.5177.360.9000111.5L76 L79 K80 V83 L85 T93 T94 L95 T99 K100 A101L76-L97 HydrophobicContact CB-CD2 4.35Å; L76-L97 HydrophobicContact CD2-CD2 4.1Å; L79-L97 HydrophobicContact CB-CD2 4.36Å; L79-L97 HydrophobicContact CD2-CD1 4.41Å; L79-L97 HydrophobicContact CD2-CD2 3.97Å; L79-L97 HydrophobicContact CD2-CG 3.83Å; L79-L97 HydrophobicContact CG-CD1 4.18Å; L79-L97 HydrophobicContact CG-CD2 4.21Å; L79-L97 HydrophobicContact CG-CG 4.12Å; K80-L97 HydrophobicContact CD-CD2 4.45Å; K80-L97 HydrophobicContact CG-CD1 3.87Å; K80-L97 HydrophobicContact CG-CD2 3.62Å; K80-L97 HydrophobicContact CG-CG 4.39Å; V83-L97 HydrophobicContact CB-CD1 4.39Å; V83-L97 HydrophobicContact CG2-CD1 4.35Å; L85-L97 HydrophobicContact CD1-CD1 3.7Å; L85-L97 HydrophobicContact CD2-CD1 3.92Å; L85-L97 HydrophobicContact CG-CD1 4.33Å; T93-L97 PolarHBondContact O-N 2.94Å; T94-L97 PolarHBondContact O-N 2.94Å; L95-L97 VanDerWaalsContact C-N 3.27Å; L95-L97 PolarHBondContact O-N 3.19Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 3.4Å; L97-K100 PolarHBondContact O-N 2.95Å; L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 3.46Å
98L96.3Very high91.2Very high89 Ų8987 Ų8747%0.46644%0.444SS..Hα-helixtrans-64-39.9-179.7-66.6174.2000111.8L79 T94 L95 A101 K102L79-L98 HydrophobicContact CD2-CD2 3.94Å; T94-L98 HydrophobicContact CG2-CD1 4.06Å; T94-L98 HydrophobicContact CG2-CG 4.48Å; T94-L98 VanDerWaalsContact O-CG 3.27Å; T94-L98 WeakPolarHBondContact O-CG 3.36Å; T94-L98 PolarHBondContact O-N 3.44Å; L95-L98 PolarHBondContact O-N 3.09Å; L98-A101 PolarHBondContact O-N 3.23Å; L98-K102 WeakPolarHBondContact O-CB 3.48Å; L98-K102 PolarHBondContact O-N 2.98Å
99T95.8Very high92.8Very high85 Ų8586.1 Ų86.152%0.52144%0.44SS..Hα-helixtrans-63.3-46.2175.6-59.90000111.4L95 L97 K102 L103L95-T99 PolarHBondContact O-N 3.22Å; L95-T99 PolarHBondContact O-OG1 2.78Å; L95-T99 VanDerWaalsContact O-OG1 3.06Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 3.4Å; T99-K102 PolarHBondContact O-N 3.27Å; T99-L103 PolarHBondContact O-N 3.07Å
100K94.6Very high94.2Very high85 Ų8586.6 Ų86.637%0.3744%0.438SS..Hα-helixtrans-65.3-39.1176.5-75.5-174.5175.7-1660112.2V83 L85 H92 S96 L97 L103 H104V83-K100 HydrophobicContact CG1-CB 3.94Å; L85-K100 HydrophobicContact CD2-CB 4.15Å; L85-K100 HydrophobicContact CD2-CD 3.59Å; H92-K100 PolarHBondContact NE2-NZ 3.35Å; S96-K100 WeakPolarHBondContact O-CB 3.43Å; S96-K100 WeakPolarHBondContact O-CG 3.49Å; S96-K100 PolarHBondContact O-N 2.76Å; L97-K100 PolarHBondContact O-N 2.95Å; K100-L103 PolarHBondContact O-N 3.39Å; K100-H104 WeakPolarHBondContact O-CB 3.34Å; K100-H104 PolarHBondContact O-N 3.44Å
101A97.2Very high95.6Very high12 Ų1285.3 Ų85.310%0.09943%0.428CS..Hα-helixtrans-60-47.9175.300000111.5L79 V83 L97 L98 L103 H104 I105L79-A101 HydrophobicContact CD1-CB 4.02Å; L79-A101 HydrophobicContact CD2-CB 4.27Å; L79-A101 HydrophobicContact CG-CB 4.47Å; V83-A101 HydrophobicContact CG2-CB 3.67Å; L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 3.46Å; L98-A101 PolarHBondContact O-N 3.23Å; A101-L103 VanDerWaalsContact C-N 3.3Å; A101-L103 PolarHBondContact O-N 3.04Å; A101-H104 PolarHBondContact O-N 3.46Å; A101-H104 VanDerWaalsContact O-N 3.12Å; A101-I105 WeakPolarHBondContact O-CG1 3.48Å; A101-I105 PolarHBondContact O-N 3.41Å
102K97.6Very high96.4Very high141 Ų14180.2 Ų80.261%0.61342%0.417SS*.Hα-helixtrans-59.6-42.1176-176.9177.1-179.4177.20111.8L98 T99 H104 K106L98-K102 WeakPolarHBondContact O-CB 3.48Å; L98-K102 PolarHBondContact O-N 2.98Å; T99-K102 PolarHBondContact O-N 3.27Å; K102-H104 VanDerWaalsContact C-N 3.35Å; K102-K106 PolarHBondContact O-N 3.41Å
103L97.4Very high96.9Very high90 Ų9084.8 Ų84.847%0.47143%0.433SS..Hα-helixtrans-65.3-39.8175.5-179.363.6000111.7T99 K100 A101 K106 K107T99-L103 PolarHBondContact O-N 3.07Å; K100-L103 PolarHBondContact O-N 3.39Å; A101-L103 VanDerWaalsContact C-N 3.3Å; A101-L103 PolarHBondContact O-N 3.04Å; L103-K106 PolarHBondContact O-N 3.25Å; L103-K107 HydrophobicContact CG-CD 4.46Å; L103-K107 WeakPolarHBondContact O-CG 3.45Å; L103-K107 PolarHBondContact O-N 3.32Å
104H97.7Very high97.1Very high47 Ų4787.7 Ų87.722%0.21844%0.438CS..Hα-helixtrans-65.1-43.3-179.6-174.647.4000111.9P84 K100 A101 K102 K106 K107 L108P84-H104 VanDerWaalsContact CD-CD2 3.46Å; P84-H104 WeakPolarHBondContact CD-CD2 3.36Å; P84-H104 VanDerWaalsContact CD-CG 3.46Å; K100-H104 WeakPolarHBondContact O-CB 3.34Å; K100-H104 PolarHBondContact O-N 3.44Å; A101-H104 PolarHBondContact O-N 3.46Å; A101-H104 VanDerWaalsContact O-N 3.12Å; K102-H104 VanDerWaalsContact C-N 3.35Å; H104-K106 VanDerWaalsContact C-N 3.34Å; H104-K106 PolarHBondContact O-N 2.83Å; H104-K107 PolarHBondContact O-N 2.98Å; H104-K107 VanDerWaalsContact O-N 3.16Å; H104-L108 WeakPolarHBondContact O-CG 3.43Å; H104-L108 PolarHBondContact O-N 3.02Å
105I98.3Very high97.3Very high95 Ų9586.3 Ų86.349%0.48743%0.434SS..Hα-helixtrans-55.3-50.4173.5-67.9161.8000110.3A101 K107 L108 E109A101-I105 WeakPolarHBondContact O-CG1 3.48Å; A101-I105 PolarHBondContact O-N 3.41Å; I105-K107 VanDerWaalsContact C-N 3.31Å; I105-K107 PolarHBondContact O-N 3.4Å; I105-L108 PolarHBondContact O-N 2.77Å; I105-L108 VanDerWaalsContact O-N 3.14Å; I105-E109 HydrophobicContact CG2-CG 4.39Å; I105-E109 WeakPolarHBondContact O-CG 3.46Å; I105-E109 PolarHBondContact O-N 3.24Å
106K98.4Very high97.5Very high112 Ų11284.1 Ų84.149%0.48743%0.426SS..Hα-helixtrans-57.6-43.2177.3-71.8-174.9172.5-165.30112.8K102 L103 H104 E109 D110K102-K106 PolarHBondContact O-N 3.41Å; L103-K106 PolarHBondContact O-N 3.25Å; H104-K106 VanDerWaalsContact C-N 3.34Å; H104-K106 PolarHBondContact O-N 2.83Å; K106-E109 PolarHBondContact O-N 3.14Å; K106-D110 PolarHBondContact O-N 3.48Å
107K98.3Very high97.7Very high120 Ų12088.2 Ų88.252%0.52244%0.441SS..Hα-helixtrans-62.3-42.9177.5-74.7-178.6176.7-171.50111.8L103 H104 I105 D110 C111L103-K107 HydrophobicContact CG-CD 4.46Å; L103-K107 WeakPolarHBondContact O-CG 3.45Å; L103-K107 PolarHBondContact O-N 3.32Å; H104-K107 PolarHBondContact O-N 2.98Å; H104-K107 VanDerWaalsContact O-N 3.16Å; I105-K107 VanDerWaalsContact C-N 3.31Å; I105-K107 PolarHBondContact O-N 3.4Å; K107-D110 PolarHBondContact O-N 3.3Å; K107-C111 WeakPolarHBondContact O-CB 3.46Å; K107-C111 PolarHBondContact O-N 3.33Å; K107-C111 PolarHBondContact O-SG 2.98Å; K107-C111 VanDerWaalsContact O-SG 3.33Å
108L98.4Very high97.9Very high85 Ų8593 Ų9345%0.44546%0.463SS..Hα-helixtrans-62.3-46.8176.4-69174.1000111H104 I105 D110 C111 D112H104-L108 WeakPolarHBondContact O-CG 3.43Å; H104-L108 PolarHBondContact O-N 3.02Å; I105-L108 PolarHBondContact O-N 2.77Å; I105-L108 VanDerWaalsContact O-N 3.14Å; L108-D110 VanDerWaalsContact C-N 3.28Å; L108-D110 PolarHBondContact O-N 3.05Å; L108-C111 WeakPolarHBondContact O-CB 3.38Å; L108-C111 PolarHBondContact O-N 3.27Å; L108-C111 VanDerWaalsContact O-N 3.17Å; L108-D112 PolarHBondContact O-N 2.95Å
109E98.4Very high98Very high99 Ų9993 Ų9346%0.46346%0.463SS..Hα-helixtrans-58.4-39.4176-68.8169.5166.100112.1I105 K106 R113I105-E109 HydrophobicContact CG2-CG 4.39Å; I105-E109 WeakPolarHBondContact O-CG 3.46Å; I105-E109 PolarHBondContact O-N 3.24Å; K106-E109 PolarHBondContact O-N 3.14Å; E109-R113 VanDerWaalsContact O-CG 3.31Å; E109-R113 WeakPolarHBondContact O-CG 3.27Å; E109-R113 PolarHBondContact O-N 2.87Å; E109-R113 VanDerWaalsContact O-N 3.08Å; E109-R113 PolarHBondContact O-NH1 3.03Å
110D98.5Very high98.1Very high66 Ų6692.1 Ų92.135%0.35346%0.455SS..Hα-helixtrans-68.6-41.7177.1-67-5.4000112K106 K107 L108 R113 K114K106-D110 PolarHBondContact O-N 3.48Å; K107-D110 PolarHBondContact O-N 3.3Å; L108-D110 VanDerWaalsContact C-N 3.28Å; L108-D110 PolarHBondContact O-N 3.05Å; D110-R113 PolarHBondContact O-N 3.34Å; D110-R113 IonicContact OD1-CZ 3.16Å; D110-R113 IonicContact OD1-NH1 2.94Å; D110-R113 PolarHBondContact OD1-NH1 2.92Å; D110-R113 IonicContact OD1-NH2 2.6Å; D110-R113 PolarHBondContact OD1-NH2 3.48Å; D110-K114 WeakPolarHBondContact O-CG 3.36Å; D110-K114 PolarHBondContact O-N 2.87Å
111C98.4Very high98.3Very high76 Ų7692.1 Ų92.151%0.51446%0.456SS..Hα-helixtrans-62.6-45.7175.2-76.30000111.4K107 L108 R113 K114 A115K107-C111 WeakPolarHBondContact O-CB 3.46Å; K107-C111 PolarHBondContact O-N 3.33Å; K107-C111 PolarHBondContact O-SG 2.98Å; K107-C111 VanDerWaalsContact O-SG 3.33Å; L108-C111 WeakPolarHBondContact O-CB 3.38Å; L108-C111 PolarHBondContact O-N 3.27Å; L108-C111 VanDerWaalsContact O-N 3.17Å; C111-R113 PolarHBondContact O-N 3.24Å; C111-K114 PolarHBondContact O-N 2.9Å; C111-A115 WeakPolarHBondContact O-CB 3.32Å; C111-A115 PolarHBondContact O-N 3.32Å
112D98.6Very high98.4Very high106 Ų10695.8 Ų95.857%0.56747%0.473SS*.Hα-helixtrans-61-44.7177.5-73.5-10.3000111.1L108 K114 A115 V116L108-D112 PolarHBondContact O-N 2.95Å; D112-K114 PolarHBondContact O-N 3.12Å; D112-A115 PolarHBondContact O-N 2.96Å; D112-V116 WeakPolarHBondContact O-CG2 3.27Å; D112-V116 PolarHBondContact O-N 3.42Å
113R98.7Very high98.5Very high134 Ų13493.1 Ų93.151%0.50646%0.463SS..Hα-helixtrans-58.3-47.3174.6-72.9-166.5-45.4-82.111.7111.3E109 D110 C111 V116 H117E109-R113 VanDerWaalsContact O-CG 3.31Å; E109-R113 WeakPolarHBondContact O-CG 3.27Å; E109-R113 PolarHBondContact O-N 2.87Å; E109-R113 VanDerWaalsContact O-N 3.08Å; E109-R113 PolarHBondContact O-NH1 3.03Å; D110-R113 PolarHBondContact O-N 3.34Å; D110-R113 IonicContact OD1-CZ 3.16Å; D110-R113 IonicContact OD1-NH1 2.94Å; D110-R113 PolarHBondContact OD1-NH1 2.92Å; D110-R113 IonicContact OD1-NH2 2.6Å; D110-R113 PolarHBondContact OD1-NH2 3.48Å; C111-R113 PolarHBondContact O-N 3.24Å; R113-V116 PolarHBondContact O-N 3.46Å; R113-H117 PolarHBondContact O-N 3.24Å; R113-H117 VanDerWaalsContact O-N 3.12Å; R113-H117 PolarHBondContact O-ND1 3.35Å
114K98.6Very high98.5Very high152 Ų15294.4 Ų94.466%0.66146%0.462SS*.Hα-helixtrans-63.7-40.8178.5-71.8175.5-176-178.10112.3D110 C111 D112 V116 H117 Q118D110-K114 WeakPolarHBondContact O-CG 3.36Å; D110-K114 PolarHBondContact O-N 2.87Å; C111-K114 PolarHBondContact O-N 2.9Å; D112-K114 PolarHBondContact O-N 3.12Å; K114-V116 VanDerWaalsContact C-N 3.35Å; K114-V116 PolarHBondContact O-N 3.43Å; K114-H117 PolarHBondContact O-N 3.06Å; K114-Q118 PolarHBondContact O-N 3.04Å
115A98.6Very high98.5Very high49 Ų4997.3 Ų97.341%0.40548%0.475SS..Hα-helixtrans-61.5-43.517800000111.4C111 D112 H117 Q118 I119C111-A115 WeakPolarHBondContact O-CB 3.32Å; C111-A115 PolarHBondContact O-N 3.32Å; D112-A115 PolarHBondContact O-N 2.96Å; A115-H117 PolarHBondContact O-N 2.97Å; A115-Q118 PolarHBondContact O-N 3.3Å; A115-I119 VanDerWaalsContact O-CG1 3.3Å; A115-I119 WeakPolarHBondContact O-CG1 3.37Å; A115-I119 PolarHBondContact O-N 3.37Å
116V98.7Very high98.5Very high82 Ų8297.7 Ų97.750%0.49748%0.475SS..Hα-helixtrans-60-45.3174.1171.70000111.3D112 R113 K114 Q118 I119 D120D112-V116 WeakPolarHBondContact O-CG2 3.27Å; D112-V116 PolarHBondContact O-N 3.42Å; R113-V116 PolarHBondContact O-N 3.46Å; K114-V116 VanDerWaalsContact C-N 3.35Å; K114-V116 PolarHBondContact O-N 3.43Å; V116-Q118 VanDerWaalsContact C-N 3.3Å; V116-Q118 PolarHBondContact O-N 3.44Å; V116-I119 PolarHBondContact O-N 2.92Å; V116-D120 PolarHBondContact O-N 2.77Å
117H98.7Very high98.5Very high122 Ų12297.5 Ų97.557%0.56547%0.471SS*.Hα-helixtrans-61.2-40.7176.4-73.571.1000111.7R113 K114 A115 D120 Q121R113-H117 PolarHBondContact O-N 3.24Å; R113-H117 VanDerWaalsContact O-N 3.12Å; R113-H117 PolarHBondContact O-ND1 3.35Å; K114-H117 PolarHBondContact O-N 3.06Å; A115-H117 PolarHBondContact O-N 2.97Å; H117-D120 PolarHBondContact O-N 3.13Å; H117-Q121 WeakPolarHBondContact O-CG 3.43Å; H117-Q121 PolarHBondContact O-N 2.96Å
118Q98.6Very high98.5Very high107 Ų10796.5 Ų96.550%0.547%0.468SS..Hα-helixtrans-65-41.9178-171.462.418.900111.7K114 A115 V116 D120 Q121 L122K114-Q118 PolarHBondContact O-N 3.04Å; A115-Q118 PolarHBondContact O-N 3.3Å; V116-Q118 VanDerWaalsContact C-N 3.3Å; V116-Q118 PolarHBondContact O-N 3.44Å; Q118-D120 VanDerWaalsContact C-N 3.31Å; Q118-D120 PolarHBondContact O-N 2.96Å; Q118-Q121 PolarHBondContact O-N 3.42Å; Q118-L122 HydrophobicContact CG-CD1 4.14Å; Q118-L122 HydrophobicContact CG-CG 4.5Å; Q118-L122 WeakPolarHBondContact O-CG 3.44Å; Q118-L122 PolarHBondContact O-N 2.9Å
119I98.7Very high98.5Very high89 Ų8997 Ų9746%0.45647%0.471SS..Hα-helixtrans-57.7-46.9174-70.2165.1000109.9A115 V116 Q121 L122 Q123A115-I119 VanDerWaalsContact O-CG1 3.3Å; A115-I119 WeakPolarHBondContact O-CG1 3.37Å; A115-I119 PolarHBondContact O-N 3.37Å; V116-I119 PolarHBondContact O-N 2.92Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; I119-Q121 PolarHBondContact O-N 2.76Å; I119-L122 PolarHBondContact O-N 2.8Å; I119-Q123 HydrophobicContact CG2-CG 4.27Å; I119-Q123 WeakPolarHBondContact O-CB 3.48Å; I119-Q123 VanDerWaalsContact O-CG 3.24Å; I119-Q123 WeakPolarHBondContact O-CG 3.44Å; I119-Q123 PolarHBondContact O-N 3.44Å
120D98.6Very high98.4Very high65 Ų6597.9 Ų97.935%0.34847%0.473SS..Hα-helixtrans-60.9-40.6178.8-80.2-4.8000112.7V116 H117 Q118 Q123 R124V116-D120 PolarHBondContact O-N 2.77Å; H117-D120 PolarHBondContact O-N 3.13Å; Q118-D120 VanDerWaalsContact C-N 3.31Å; Q118-D120 PolarHBondContact O-N 2.96Å; D120-Q123 PolarHBondContact O-N 2.99Å; D120-R124 WeakPolarHBondContact O-CG 3.49Å; D120-R124 PolarHBondContact O-N 3.29Å
121Q98.7Very high98.3Very high86 Ų86101.6 Ų101.640%0.40248%0.482SS..Hα-helixtrans-64.5-50.4176.2-63.8-53.4-8.300111.5H117 Q118 I119 Q123 R124 E125H117-Q121 WeakPolarHBondContact O-CG 3.43Å; H117-Q121 PolarHBondContact O-N 2.96Å; Q118-Q121 PolarHBondContact O-N 3.42Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; I119-Q121 PolarHBondContact O-N 2.76Å; Q121-Q123 PolarHBondContact O-N 3.29Å; Q121-R124 WeakPolarHBondContact O-CA 3.38Å; Q121-R124 WeakPolarHBondContact O-CB 3.43Å; Q121-R124 PolarHBondContact O-N 2.91Å; Q121-E125 PolarHBondContact O-N 3.46Å
122L98.7Very high98.1Very high88 Ų88102.1 Ų102.146%0.46148%0.477SS..Hα-helixtrans-60.6-35.9178.6-68.9173.4000111.7Q118 I119 E125 Q126Q118-L122 HydrophobicContact CG-CD1 4.14Å; Q118-L122 HydrophobicContact CG-CG 4.5Å; Q118-L122 WeakPolarHBondContact O-CG 3.44Å; Q118-L122 PolarHBondContact O-N 2.9Å; I119-L122 PolarHBondContact O-N 2.8Å; L122-E125 PolarHBondContact O-N 3.47Å; L122-Q126 VanDerWaalsContact O-CB 3.29Å; L122-Q126 WeakPolarHBondContact O-CB 3.2Å; L122-Q126 PolarHBondContact O-N 3.48Å
123Q98.6Very high98Very high85 Ų85102.9 Ų102.940%0.39748%0.481SS..Hα-helixtrans-66.9-36.7173.6-74.7-178.46.500112.6I119 D120 Q121 R127I119-Q123 HydrophobicContact CG2-CG 4.27Å; I119-Q123 WeakPolarHBondContact O-CB 3.48Å; I119-Q123 VanDerWaalsContact O-CG 3.24Å; I119-Q123 WeakPolarHBondContact O-CG 3.44Å; I119-Q123 PolarHBondContact O-N 3.44Å; D120-Q123 PolarHBondContact O-N 2.99Å; Q121-Q123 PolarHBondContact O-N 3.29Å; Q123-R127 WeakPolarHBondContact O-CG 3.49Å; Q123-R127 PolarHBondContact O-N 3.21Å; Q123-R127 VanDerWaalsContact O-N 3.08Å; Q123-R127 PolarHBondContact O-NH1 3.47Å
124R98.4Very high97.7Very high118 Ų118102.6 Ų102.645%0.44549%0.485SS..Hα-helixtrans-64.7-45.5173.1-72.6178.9-163.5108.58.6110.9D120 Q121 R127 H128D120-R124 WeakPolarHBondContact O-CG 3.49Å; D120-R124 PolarHBondContact O-N 3.29Å; Q121-R124 WeakPolarHBondContact O-CA 3.38Å; Q121-R124 WeakPolarHBondContact O-CB 3.43Å; Q121-R124 PolarHBondContact O-N 2.91Å; R124-R127 VanDerWaalsContact CG-NH2 3.26Å; R124-R127 PolarHBondContact O-N 2.99Å; R124-H128 WeakPolarHBondContact O-CB 3.49Å; R124-H128 PolarHBondContact O-N 3.14Å
125E98.3Very high97.3Very high108 Ų108102.5 Ų102.551%0.50548%0.484SS..Hα-helixtrans-62.1-46.9177.1-71.3176.2-172.300111.6Q121 L122 R127 H128 L129Q121-E125 PolarHBondContact O-N 3.46Å; L122-E125 PolarHBondContact O-N 3.47Å; E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.44Å; E125-H128 WeakPolarHBondContact O-CA 3.26Å; E125-H128 WeakPolarHBondContact O-CB 3.42Å; E125-H128 PolarHBondContact O-N 3.33Å; E125-L129 WeakPolarHBondContact O-CG 3.31Å; E125-L129 PolarHBondContact O-N 2.92Å
126Q98.2Very high96.9Very high103 Ų103105.1 Ų105.148%0.48149%0.491SS..Hα-helixtrans-57-43.4176-169-163.644.300111.2L122 K130L122-Q126 VanDerWaalsContact O-CB 3.29Å; L122-Q126 WeakPolarHBondContact O-CB 3.2Å; L122-Q126 PolarHBondContact O-N 3.48Å; Q126-K130 HydrophobicContact CG-CD 4.32Å; Q126-K130 WeakPolarHBondContact O-CB 3.38Å; Q126-K130 VanDerWaalsContact O-CG 3.23Å; Q126-K130 WeakPolarHBondContact O-CG 3.25Å; Q126-K130 PolarHBondContact O-N 3.16Å
127R98.4Very high95.9Very high107 Ų107102.7 Ų102.740%0.40448%0.483SS..Hα-helixtrans-65-39174.9-74.2-173.1-62-93.33.2112.2Q123 R124 E125 R131Q123-R127 WeakPolarHBondContact O-CG 3.49Å; Q123-R127 PolarHBondContact O-N 3.21Å; Q123-R127 VanDerWaalsContact O-N 3.08Å; Q123-R127 PolarHBondContact O-NH1 3.47Å; R124-R127 VanDerWaalsContact CG-NH2 3.26Å; R124-R127 PolarHBondContact O-N 2.99Å; E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.44Å; R127-R131 WeakPolarHBondContact O-CG 3.36Å; R127-R131 PolarHBondContact O-N 3.12Å
128H98.1Very high94.6Very high100 Ų100100.1 Ų100.146%0.46347%0.472SS..Hα-helixtrans-63.8-51.6177.7-179.378000111.5R124 E125 K130 R131 Q132R124-H128 WeakPolarHBondContact O-CB 3.49Å; R124-H128 PolarHBondContact O-N 3.14Å; E125-H128 WeakPolarHBondContact O-CA 3.26Å; E125-H128 WeakPolarHBondContact O-CB 3.42Å; E125-H128 PolarHBondContact O-N 3.33Å; H128-K130 VanDerWaalsContact C-N 3.35Å; H128-K130 PolarHBondContact O-N 3.23Å; H128-R131 PolarHBondContact O-N 3.43Å; H128-R131 VanDerWaalsContact O-N 3.16Å; H128-Q132 PolarHBondContact NE2-NE2 3.07Å; H128-Q132 PolarHBondContact O-N 2.68Å
129L97.6Very high93Very high94 Ų94100.7 Ų100.749%0.49248%0.475SS..Hα-helixtrans-61.4-41178.6-67174000111.8E125 R131 Q132 L133E125-L129 WeakPolarHBondContact O-CG 3.31Å; E125-L129 PolarHBondContact O-N 2.92Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.24Å; L129-Q132 WeakPolarHBondContact O-CB 3.43Å; L129-Q132 PolarHBondContact O-N 3.43Å; L129-Q132 VanDerWaalsContact O-N 3.12Å; L129-L133 PolarHBondContact O-N 3.33Å
130K96.4Very high91.4Very high118 Ų118105.6 Ų105.651%0.51349%0.488SS..Hα-helixtrans-57.6-42.7174.5-79.7175.9177.4177.40112.4Q126 H128 L133 E134Q126-K130 HydrophobicContact CG-CD 4.32Å; Q126-K130 WeakPolarHBondContact O-CB 3.38Å; Q126-K130 VanDerWaalsContact O-CG 3.23Å; Q126-K130 WeakPolarHBondContact O-CG 3.25Å; Q126-K130 PolarHBondContact O-N 3.16Å; H128-K130 VanDerWaalsContact C-N 3.35Å; H128-K130 PolarHBondContact O-N 3.23Å; K130-L133 PolarHBondContact O-N 3.45Å; K130-E134 WeakPolarHBondContact O-CB 3.38Å; K130-E134 PolarHBondContact O-N 2.96Å
131R96.3Very high89.7Confident145 Ų145108 Ų10855%0.54750%0.499SS..Hα-helixtrans-67.8-34.5175.7-67.6175.9-165.6134.5-4.3112.5R127 H128 L129 K135R127-R131 WeakPolarHBondContact O-CG 3.36Å; R127-R131 PolarHBondContact O-N 3.12Å; H128-R131 PolarHBondContact O-N 3.43Å; H128-R131 VanDerWaalsContact O-N 3.16Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.24Å; R131-K135 WeakPolarHBondContact O-CG 3.4Å; R131-K135 PolarHBondContact O-N 2.9Å; R131-K135 VanDerWaalsContact O-N 3.11Å
132Q95.8Very high87.9Confident87 Ų87112.5 Ų112.541%0.40751%0.513SS..Hα-helixtrans-66.5-44.3174.9-73.2-176.2-36.600111.3H128 L129 E134 K135 L136H128-Q132 PolarHBondContact NE2-NE2 3.07Å; H128-Q132 PolarHBondContact O-N 2.68Å; L129-Q132 WeakPolarHBondContact O-CB 3.43Å; L129-Q132 PolarHBondContact O-N 3.43Å; L129-Q132 VanDerWaalsContact O-N 3.12Å; Q132-E134 VanDerWaalsContact C-N 3.33Å; Q132-E134 PolarHBondContact O-N 3.15Å; Q132-K135 PolarHBondContact O-N 3.03Å; Q132-L136 WeakPolarHBondContact O-CG 3.31Å; Q132-L136 PolarHBondContact O-N 3.29Å
133L94.8Very high85.9Confident122 Ų122115 Ų11564%0.63952%0.524SS*.Hα-helixtrans-61.3-41.3175-73.6174000112.1L129 K130 K135 L136 G137L129-L133 PolarHBondContact O-N 3.33Å; K130-L133 PolarHBondContact O-N 3.45Å; L133-K135 PolarHBondContact O-N 3.49Å; L133-L136 PolarHBondContact O-N 2.79Å; L133-G137 PolarHBondContact O-N 3.07Å
134E93.8Very high83.9Confident127 Ų127116 Ų11659%0.59353%0.532SS*.Hα-helixtrans-60.2-44.8175.2-175.1180-173.900111.6K130 Q132 G137 I138K130-E134 WeakPolarHBondContact O-CB 3.38Å; K130-E134 PolarHBondContact O-N 2.96Å; Q132-E134 VanDerWaalsContact C-N 3.33Å; Q132-E134 PolarHBondContact O-N 3.15Å; E134-G137 PolarHBondContact O-N 2.81Å; E134-I138 HydrophobicContact CG-CD1 3.86Å; E134-I138 WeakPolarHBondContact O-CB 3.33Å; E134-I138 WeakPolarHBondContact O-CD1 3.42Å; E134-I138 WeakPolarHBondContact O-CG1 3.26Å; E134-I138 PolarHBondContact O-N 3.46Å
135K90.4Very high82Confident150 Ų150115.2 Ų115.265%0.65254%0.544SS*.Hα-helixtrans-61-47.1176.5-72.3175.5-178.5-171.40112.5R131 Q132 L133 G137 I138 E139R131-K135 WeakPolarHBondContact O-CG 3.4Å; R131-K135 PolarHBondContact O-N 2.9Å; R131-K135 VanDerWaalsContact O-N 3.11Å; Q132-K135 PolarHBondContact O-N 3.03Å; L133-K135 PolarHBondContact O-N 3.49Å; K135-G137 VanDerWaalsContact C-N 3.32Å; K135-G137 PolarHBondContact O-N 3.34Å; K135-I138 PolarHBondContact O-N 3.03Å; K135-E139 WeakPolarHBondContact O-CB 3.46Å; K135-E139 PolarHBondContact O-N 2.84Å
136L88.9Confident80.1Confident104 Ų104117.1 Ų117.155%0.54556%0.557SS.*Hα-helixtrans-66.8-34.6178.5-68172.4000112Q132 L133 E139 R140Q132-L136 WeakPolarHBondContact O-CG 3.31Å; Q132-L136 PolarHBondContact O-N 3.29Å; L133-L136 PolarHBondContact O-N 2.79Å; L136-E139 PolarHBondContact O-N 3.45Å; L136-R140 WeakPolarHBondContact O-CB 3.2Å; L136-R140 PolarHBondContact O-N 3.22Å
137G79.1Confident78.1Confident31 Ų31115.4 Ų115.432%0.3257%0.567SS.*Hα-helixtrans-65-43.7172.700000112.3L133 E134 K135 R140 I141L133-G137 PolarHBondContact O-N 3.07Å; E134-G137 PolarHBondContact O-N 2.81Å; K135-G137 VanDerWaalsContact C-N 3.32Å; K135-G137 PolarHBondContact O-N 3.34Å; G137-R140 PolarHBondContact O-N 3.5Å; G137-I141 WeakPolarHBondContact O-CD1 3.33Å; G137-I141 VanDerWaalsContact O-CG1 3.26Å; G137-I141 WeakPolarHBondContact O-CG1 3.41Å; G137-I141 PolarHBondContact O-N 3.49Å
138I70.8Confident75.7Confident68 Ų68116.3 Ų116.335%0.34959%0.589SS.*Hα-helixtrans-65.8-39.3175.4-67.2163.2000111.3E134 K135 R140 I141 R142E134-I138 HydrophobicContact CG-CD1 3.86Å; E134-I138 WeakPolarHBondContact O-CB 3.33Å; E134-I138 WeakPolarHBondContact O-CD1 3.42Å; E134-I138 WeakPolarHBondContact O-CG1 3.26Å; E134-I138 PolarHBondContact O-N 3.46Å; K135-I138 PolarHBondContact O-N 3.03Å; I138-R140 VanDerWaalsContact C-N 3.35Å; I138-I141 PolarHBondContact O-N 3.38Å; I138-R142 WeakPolarHBondContact O-CG 3.33Å; I138-R142 PolarHBondContact O-N 3.15Å
139E65.4Low73.2Confident120 Ų120117.5 Ų117.556%0.56160%0.604SS**Hα-helixtrans-63.1-42.3175.8-171.6171.6-171.200111.1K135 L136 R142 M143K135-E139 WeakPolarHBondContact O-CB 3.46Å; K135-E139 PolarHBondContact O-N 2.84Å; L136-E139 PolarHBondContact O-N 3.45Å; E139-R142 PolarHBondContact O-N 3.47Å; E139-M143 WeakPolarHBondContact O-CB 3.47Å; E139-M143 PolarHBondContact O-N 3.02Å; E139-M143 VanDerWaalsContact O-N 3.09Å
140R65.3Low70.9Confident192 Ų192119.4 Ų119.473%0.72562%0.619SS**Hα-helixtrans-62.4-44.6174.9-164.8-179-82.4174.1-6.9112.3L136 G137 I138 R142 M143 D144L136-R140 WeakPolarHBondContact O-CB 3.2Å; L136-R140 PolarHBondContact O-N 3.22Å; G137-R140 PolarHBondContact O-N 3.5Å; I138-R140 VanDerWaalsContact C-N 3.35Å; R140-R142 VanDerWaalsContact C-N 3.28Å; R140-R142 PolarHBondContact O-N 2.92Å; R140-M143 PolarHBondContact O-N 2.94Å; R140-D144 PolarHBondContact O-N 2.93Å
141I62.3Low68.4Low115 Ų115119.7 Ų119.759%0.5964%0.636SS**Hα-helixtrans-68.3-21177.9-64.8163.9000113.4G137 I138 D144G137-I141 WeakPolarHBondContact O-CD1 3.33Å; G137-I141 VanDerWaalsContact O-CG1 3.26Å; G137-I141 WeakPolarHBondContact O-CG1 3.41Å; G137-I141 PolarHBondContact O-N 3.49Å; I138-I141 PolarHBondContact O-N 3.38Å; I141-D144 WeakPolarHBondContact CA-OD1 3.49Å
142R60.3Low66.8Low180 Ų180117.6 Ų117.668%0.67964%0.643SS**Hα-helixtrans-83.4-34.6172.3-78.5-179168.7137.4-0.5111.7I138 E139 R140 I146I138-R142 WeakPolarHBondContact O-CG 3.33Å; I138-R142 PolarHBondContact O-N 3.15Å; E139-R142 PolarHBondContact O-N 3.47Å; R140-R142 VanDerWaalsContact C-N 3.28Å; R140-R142 PolarHBondContact O-N 2.92Å; R142-I146 WeakPolarHBondContact O-CG1 3.48Å
143M57.2Low64.7Low141 Ų141121.4 Ų121.470%0.69566%0.661SS**Hα-helixtrans-80.4-26.5-173-150.5168.67200113.2E139 R140 S145E139-M143 WeakPolarHBondContact O-CB 3.47Å; E139-M143 PolarHBondContact O-N 3.02Å; E139-M143 VanDerWaalsContact O-N 3.09Å; R140-M143 PolarHBondContact O-N 2.94Å; M143-S145 VanDerWaalsContact C-N 3.34Å
144D57.2Low62.9Low107 Ų107126.4 Ų126.457%0.57267%0.672SS**THydrogen-bonded Turntrans-79-9.5172.949.93.2000113.8R140 I141R140-D144 PolarHBondContact O-N 2.93Å; I141-D144 WeakPolarHBondContact CA-OD1 3.49Å
145S56.8Low60.9Low100 Ų100126.4 Ų126.470%0.69969%0.685SS**THydrogen-bonded Turntrans-98.8-4.2176.2-72.70000115.6M143M143-S145 VanDerWaalsContact C-N 3.34Å
146I58.7Low59.1Low149 Ų149126.8 Ų126.876%0.76470%0.695SS**SBendtrans-144.185.81768.6171.5000109.2R142R142-I146 WeakPolarHBondContact O-CG1 3.48Å
147G57.8Low57.5Low67 Ų67126.7 Ų126.769%0.69170%0.703SS**  trans153.818.7168.800000118.8T149G147-T149 VanDerWaalsContact C-N 3.35Å; G147-T149 PolarHBondContact O-N 3.29Å
148S46.2Very low56.2Low126 Ų126132.7 Ų132.788%0.88173%0.727SS**  trans-91.774.6166.6-141.50000110.5
149T46.4Very low55.6Low125 Ų125139 Ų13977%0.76775%0.747SS**  trans-108.411615055.90000107.3G147 S151G147-T149 VanDerWaalsContact C-N 3.35Å; G147-T149 PolarHBondContact O-N 3.29Å; T149-S151 PolarHBondContact O-N 3Å
150V50.1Low55.2Low133 Ų133141.7 Ų141.781%0.80676%0.759SS**  trans-30.2116.9175.3-179.40000114.1
151S42.8Very low54.8Low124 Ų124139.5 Ų139.587%0.86776%0.757SS**  trans-131.478.2150.3-63.20000108T149 E153T149-S151 PolarHBondContact O-N 3Å; S151-E153 PolarHBondContact O-N 3.42Å
152S62.2Low54.8Low101 Ų101141 Ų14171%0.70677%0.765SS**  trans-72.3109160.3162.20000107
153E51.4Low54.3Low167 Ų167139.7 Ų139.778%0.7877%0.771SS**  trans-169.6106.8148.8-104.7157.817500111.2S151S151-E153 PolarHBondContact O-N 3.42Å
154R57.5Low54.6Low228 Ų228138.9 Ų138.986%0.8677%0.774SS**  trans64.4105.6149.8-52.5177.1-177-107-0.7117
155S52.8Low54.7Low126 Ų126140.7 Ų140.788%0.88178%0.784SS**  trans-134109.4141.9-86.80000107.9
156D51.1Low54.9Low159 Ų159142 Ų14285%0.8579%0.788SS**  trans-59.1134.2170.1-105.9-42000109.1D158D156-D158 PolarHBondContact O-N 3.3Å
157S56.3Low55.1Low102 Ų102142.4 Ų142.471%0.71379%0.786SS**  trans-87.887.7-177.2164.50000109.1R159S157-R159 PolarHBondContact O-N 2.95Å
158D52.3Low54.8Low157 Ų157143.1 Ų143.184%0.8478%0.781SS**  trans-86.192.7163.3-73.3-28.3000109.1D156 E160D156-D158 PolarHBondContact O-N 3.3Å; D158-E160 PolarHBondContact O-N 2.9Å
159R57.8Low55.3Low201 Ų201143.8 Ų143.876%0.75878%0.78SS**  trans-81.893.2174.7-175.8-177.6177.5-175.4-4.5107.9S157 E161S157-R159 PolarHBondContact O-N 2.95Å; R159-E161 PolarHBondContact O-N 3.18Å
160E57Low55.3Low176 Ų176143.1 Ų143.182%0.82277%0.771SS**  trans-75.3114.9164.3-65.8-148.8156.300109.1D158 I162D158-E160 PolarHBondContact O-N 2.9Å; E160-I162 PolarHBondContact O-N 2.84Å
161E56.6Low55.2Low146 Ų146147.1 Ų147.168%0.68277%0.773SS**  trans-71.6111170.8-67.4-175.5155.500108.4R159 D163R159-E161 PolarHBondContact O-N 3.18Å; E161-D163 PolarHBondContact O-N 3.27Å
162I62.4Low55.4Low147 Ų147149.2 Ų149.275%0.75477%0.774SS**  trans-84.697.6168.4-62.1155.6000106E160 V164E160-I162 PolarHBondContact O-N 2.84Å; I162-V164 PolarHBondContact O-N 2.98Å; I162-V164 VanDerWaalsContact O-N 3.08Å
163D49Very low55Low151 Ų151151.9 Ų151.981%0.80779%0.786SS**  trans-63.8104.6167-83.5-37.3000108.7E161 D165E161-D163 PolarHBondContact O-N 3.27Å; D163-D165 PolarHBondContact O-N 3.27Å
164V64.2Low54.8Low125 Ų125146.7 Ų146.776%0.75878%0.778SS**  trans-79.499.7164.9-104.40000107.3I162 V166I162-V164 PolarHBondContact O-N 2.98Å; I162-V164 VanDerWaalsContact O-N 3.08Å; V164-V166 PolarHBondContact O-N 3.4Å; V164-V166 VanDerWaalsContact O-N 3.13Å
165D58.3Low54.7Low144 Ų144144 Ų14477%0.7778%0.78SS**  trans-62.4110.3168.8-170.623000108.9D163 E167D163-D165 PolarHBondContact O-N 3.27Å; D165-E167 VanDerWaalsContact C-N 3.3Å; D165-E167 PolarHBondContact O-N 3.06Å
166V61.9Low54.6Low129 Ų129145.8 Ų145.878%0.78278%0.779SS**  trans-85.782.5170179.80000105.9V164 S168V164-V166 PolarHBondContact O-N 3.4Å; V164-V166 VanDerWaalsContact O-N 3.13Å; V166-S168 PolarHBondContact O-N 3.4Å
167E63Low54.5Low157 Ų157144.1 Ų144.173%0.73477%0.77SS**  trans-65.2109.7168.8-169.3173.2-170.300108.1D165 T169D165-E167 VanDerWaalsContact C-N 3.3Å; D165-E167 PolarHBondContact O-N 3.06Å; E167-T169 PolarHBondContact O-N 3.34Å
168S51.1Low54.5Low82 Ų82150.3 Ų150.357%0.57378%0.778SS**  trans-54.2115.6170-1790000109.2V166 D170V166-S168 PolarHBondContact O-N 3.4Å; S168-D170 VanDerWaalsContact C-N 3.28Å; S168-D170 VanDerWaalsContact CB-OD1 3.22Å; S168-D170 WeakPolarHBondContact CB-OD1 3.22Å; S168-D170 PolarHBondContact O-N 3Å; S168-D170 PolarHBondContact OG-OD1 3.38Å
169T56.3Low54.2Low140 Ų140147 Ų14786%0.85977%0.767SS**  trans-94.670.2167.690.20000108.6E167 Y171E167-T169 PolarHBondContact O-N 3.34Å; T169-Y171 PolarHBondContact O-N 2.93Å
170D46.7Very low53.4Low110 Ų110142.4 Ų142.459%0.58877%0.766SS**  trans-70.4118.7164.130.8-45.7000109.4S168S168-D170 VanDerWaalsContact C-N 3.28Å; S168-D170 VanDerWaalsContact CB-OD1 3.22Å; S168-D170 WeakPolarHBondContact CB-OD1 3.22Å; S168-D170 PolarHBondContact O-N 3Å; S168-D170 PolarHBondContact OG-OD1 3.38Å
171Y49Very low52.7Low217 Ų217139.1 Ų139.185%0.85176%0.762SS**  trans60.3108.9157.8-69.1-102.8000116.8T169T169-Y171 PolarHBondContact O-N 2.93Å
172L46.5Very low52.2Low168 Ų168137.3 Ų137.388%0.8877%0.766SS**  -173.4113.4106.8-91.4165.9000109.5G174L172-G174 PolarHBondContact O-N 3.22Å; L172-G174 VanDerWaalsContact O-N 3.07Å
173T52.8Low51.5Low157 Ų157137.2 Ų137.296%0.96377%0.772SS**  trans-59.4102.8159.6-630000108.6
174G48.5Very low51.7Low59 Ų59135.5 Ų135.561%0.60877%0.772SS**  trans-143.4124.4172.900000109.4L172 L176L172-G174 PolarHBondContact O-N 3.22Å; L172-G174 VanDerWaalsContact O-N 3.07Å; G174-L176 PolarHBondContact O-N 3.44Å
175D54.3Low51Low171 Ų171135.9 Ų135.991%0.91477%0.77SS**  trans-34121.4-176.9-78.3-44000115.4
176L51.9Low50.7Low164 Ų164134.9 Ų134.986%0.85977%0.774SS**  trans-10291.6157.9-113.182.3000109.1G174 W178G174-L176 PolarHBondContact O-N 3.44Å; L176-W178 PolarHBondContact O-N 3.41Å
177D48.6Very low50.5Low124 Ų124135.3 Ų135.366%0.66377%0.772SS**  trans-61.8101.9154.3167.410.6000108.4S179D177-S179 PolarHBondContact O-N 2.93Å; D177-S179 WeakPolarHBondContact OD1-CA 3.48Å; D177-S179 WeakPolarHBondContact OD1-CB 3.44Å; D177-S179 PolarHBondContact OD1-N 3.11Å; D177-S179 PolarHBondContact OD1-OG 2.88Å; D177-S179 PolarHBondContact OD2-OG 3.36Å
178W55.6Low50.3Low231 Ų231136 Ų13688%0.87578%0.775SS**  trans-73.576.9165.5-175.8-89.9000108.7L176 S180L176-W178 PolarHBondContact O-N 3.41Å; W178-S180 PolarHBondContact O-N 3.47Å
179S47.5Very low50.6Low87 Ų87144 Ų14461%0.60879%0.793SS**  trans-73.8106.4172-91.90000109.3D177 S181D177-S179 PolarHBondContact O-N 2.93Å; D177-S179 WeakPolarHBondContact OD1-CA 3.48Å; D177-S179 WeakPolarHBondContact OD1-CB 3.44Å; D177-S179 PolarHBondContact OD1-N 3.11Å; D177-S179 PolarHBondContact OD1-OG 2.88Å; D177-S179 PolarHBondContact OD2-OG 3.36Å; S179-S181 PolarHBondContact O-N 2.99Å; S179-S181 VanDerWaalsContact O-N 3.09Å
180S41Very low50.1Low105 Ų105140.9 Ų140.973%0.73479%0.788SS**  trans-53.3105170.5-179.10000110.8W178 S182W178-S180 PolarHBondContact O-N 3.47Å; S180-S182 PolarHBondContact O-N 3.3Å
181S40.9Very low50.5Low107 Ų107141.8 Ų141.875%0.74880%0.803SS**  trans-64.7104170.255.10000110.3S179 V183S179-S181 PolarHBondContact O-N 2.99Å; S179-S181 VanDerWaalsContact O-N 3.09Å; S181-V183 PolarHBondContact O-N 3.47Å
182S46.1Very low50.3Low108 Ų108138.6 Ų138.676%0.75580%0.798SS**  trans-72.8106.4167.658.10000109.6S180 S184S180-S182 PolarHBondContact O-N 3.3Å; S182-S184 PolarHBondContact O-N 3.24Å
183V48.9Very low50.2Low145 Ų145138.6 Ų138.688%0.87979%0.794SS**  trans-80.7111.7163.5-71.10000108.1S181S181-V183 PolarHBondContact O-N 3.47Å
184S52.2Low49.9Very low115 Ų115137 Ų13780%0.80479%0.789SS**  trans-114.3111.4174.7-175.90000106.6S182S182-S184 PolarHBondContact O-N 3.24Å
185D49.7Very low49.9Very low134 Ų134142.6 Ų142.672%0.71780%0.804SS**  trans-169.7124.5143.2-146.9-1.4000109.9
186S51.6Low49.3Very low123 Ų123137.5 Ų137.586%0.8679%0.791SS**  trans-156.6108.5166.3-770000108.3
187D58.4Low49.2Very low138 Ų138135.9 Ų135.974%0.73879%0.794SS**  trans-60.3143.4-177-74.4-61.5000114.6
188E57.9Low49.4Very low170 Ų170136 Ų13679%0.79479%0.794SS**  trans-48.5133155.547.3-146.478.200116.3
189R57.8Low49.3Very low251 Ų251132.4 Ų132.495%0.94779%0.787SS**  trans-167.7135.5138-101.9162.5-155.1-68.6-3.4111.4
190G46.8Very low49.2Very low74 Ų74131.9 Ų131.976%0.76380%0.795SS**  trans-81.5172.9-164.100000117.4
191S55.2Low49.7Very low130 Ų130137 Ų13791%0.90980%0.8SS**  trans-154.7143.7150-108.60000112.1
192M44.4Very low50.4Low149 Ų149138.1 Ų138.173%0.73481%0.808SS**  trans-77.2153.3-166-64.3-11474.200113.4
193Q45.2Very low50.5Low169 Ų169138.6 Ų138.679%0.7981%0.811SS**  trans43.8117.4135.8-61.7171.9-4.300118.6
194S46.6Very low50.5Low123 Ų123135.5 Ų135.586%0.8680%0.801SS**  trans-149.6127.1135.5-164.80000111.3
195L47.3Very low50.1Low177 Ų177135.2 Ų135.293%0.92780%0.799SS**  trans-96.8143.6172.8-71.1161.8000108.5
196G41.9Very low50Low63 Ų63136.7 Ų136.765%0.64981%0.805SS**  trans162.8100.8167.100000107.5
197S50.4Low50.1Low130 Ų130139.5 Ų139.591%0.90980%0.802SS**  57.7139.384.5-57.10000111.5
198D53.2Low49.6Very low127 Ų127144 Ų14468%0.67981%0.809SS**  cis177.6162.6-5.5175.334.4000104
199E51.8Low49.1Very low155 Ų155143.4 Ų143.472%0.72481%0.809SS**  trans66.6119.7153.8-12574.5153.600120.4
200G45.4Very low48.3Very low76 Ų76140 Ų14078%0.78480%0.801SS**  trans172.473.3163.400000116.5
201Y52.7Low48.1Very low214 Ų214144.5 Ų144.584%0.83981%0.807SS**  trans-41.1140166.1-85.3-106.1000114.3
202S56Low47.5Very low130 Ų130146.1 Ų146.191%0.90980%0.8SS**  trans-157130.2131.4-920000113.4
203S47.8Very low47.2Very low117 Ų117145.5 Ų145.582%0.81880%0.8SS**  trans-85.3169.9-169.6-166.50000113
204A49.3Very low47Very low81 Ų81141.3 Ų141.367%0.66979%0.789SS**  trans-48.7152.1-177.300000116.4
205S42.8Very low46.9Very low109 Ų109144.8 Ų144.876%0.76279%0.791SS**  trans-154.892.1151-76.50000110.7K207S205-K207 PolarHBondContact O-N 2.97Å
206I47.9Very low47Very low164 Ų164146.3 Ų146.384%0.84179%0.79SS**  trans-66.8114.8161.8-66.9167.5000107.2
207K53Low47.3Very low182 Ų182147.8 Ų147.879%0.79180%0.797SS**  trans-12099164-72.9-175.2-178.31760109.7S205 I209S205-K207 PolarHBondContact O-N 2.97Å; K207-I209 PolarHBondContact O-N 3.31Å
208R48.3Very low47.1Very low233 Ų233147.4 Ų147.488%0.87979%0.793SS**  trans-55.8106.7164178.4-171.8-63.5171.1-0.8109
209I47.4Very low46.8Very low158 Ų158149.7 Ų149.781%0.8180%0.804SS**  trans-89.6118.2167.6-63.1171.7000108K207K207-I209 PolarHBondContact O-N 3.31Å
210K40.6Very low46.6Very low179 Ų179145.3 Ų145.378%0.77880%0.801SS**  trans-76.1115.8178.7-170.3-178.9-175.8-175.70107.8
211L42.5Very low46.4Very low168 Ų168153.7 Ų153.788%0.8883%0.826SS**  trans-97.295173.9-146.9160.8000108.3
212Q43.5Very low46.1Very low165 Ų165150.7 Ų150.777%0.77183%0.825SS**  trans-129.1115.1153.8-81.8-167.92.100104.8
213D36.7Very low45.6Very low135 Ų135151.8 Ų151.872%0.72282%0.821SS**  -172.7149.698.5-141.5-20.2000111.6
214S42.9Very low45.5Very low81 Ų81153.7 Ų153.757%0.56682%0.821SS**  trans-31.2136172.450.40000119.4
215H44.2Very low45.3Very low196 Ų196158 Ų15891%0.90783%0.83SS**  trans-140.9104.7135.4-82-70.9000110.4
216K49.4Very low45.4Very low209 Ų209161.1 Ų161.191%0.90983%0.834SS**  trans-65.4127.7153.3-80.5175.7172.9176.50107.6
217A48Very low45.3Very low95 Ų95160.9 Ų160.979%0.78583%0.834SS**  trans-136.3106.1152.700000107.9
218C45.5Very low44.7Very low122 Ų122159.4 Ų159.482%0.82484%0.837SS**  trans-61.1129.1164.6-177.20000108.9
219L47.1Very low44.4Very low175 Ų175153.7 Ų153.792%0.91683%0.834SS**  trans-131.1105.5156.2-79.4173.8000107
220G47.6Very low44.2Very low63 Ų63153.3 Ų153.365%0.64984%0.836SS**  trans-80.5136.116400000109.9
221L42.1Very low44.5Very low252 Ų252151 Ų151100%1.31984%0.841SS**  trans-166.10133.7-99.8161.7000106.9

Retrieved 221 of 221 residues in 198.6 ms (Link to these results)