A0A096MJ49_RAT Loading...

MAX interactor 1, dimerization protein

AlphaFold DB (Q642D1), UniProt , Accession A0A096MJ49, Species RAT (Rattus norvegicus, Rat), Gene Mxi1, Length 228 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
1M57.6Low72.1Confident201 Ų201144 Ų14499%0.9967%0.666SS**  0-33.70-69.7-128.5-143.200113.2V4 R5M1-V4 PolarHBondContact O-N 3.18Å; M1-R5 PolarHBondContact O-N 3.45Å
2E60.8Low73.6Confident160 Ų160142.8 Ų142.875%0.74867%0.667SS**Hα-helixtrans-66.6-36.8-178.6-70.1169.9161.700114.8V4 R5 M6E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 3.21Å; E2-R5 WeakPolarHBondContact O-CB 3.33Å; E2-R5 PolarHBondContact O-N 2.7Å; E2-R5 VanDerWaalsContact O-N 3.14Å; E2-M6 WeakPolarHBondContact O-CG 3.32Å; E2-M6 PolarHBondContact O-N 3.43Å
3R60.7Low74.7Confident218 Ų218140.5 Ų140.582%0.82366%0.661SS**Hα-helixtrans-59-37.3176.7-81.9-167.1-79.4-130.8-0.5113.8M6 I7R3-M6 PolarHBondContact O-N 3.27Å; R3-I7 WeakPolarHBondContact O-CD1 3.24Å; R3-I7 VanDerWaalsContact O-CG1 3.31Å; R3-I7 WeakPolarHBondContact O-CG1 3.29Å; R3-I7 PolarHBondContact O-N 3.45Å; R3-I7 VanDerWaalsContact O-N 3.17Å
4V69Low75.7Confident90 Ų90139.9 Ų139.955%0.54566%0.658SS.*Hα-helixtrans-72.2-36.1178-1790000110.8M1 E2 I7 N8M1-V4 PolarHBondContact O-N 3.18Å; E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 3.21Å; V4-I7 PolarHBondContact O-N 3.22Å; V4-N8 VanDerWaalsContact O-CG 3.23Å; V4-N8 PolarHBondContact O-N 2.8Å; V4-N8 VanDerWaalsContact O-N 3.09Å; V4-N8 PolarHBondContact O-ND2 3.39Å
5R68.4Low76.5Confident179 Ų179133.9 Ų133.968%0.67564%0.641SS**Hα-helixtrans-63.5-42.8173.3-68.3-176.3-179.5-176.5-0.3111.6M1 E2 I7 N8 V9M1-R5 PolarHBondContact O-N 3.45Å; E2-R5 WeakPolarHBondContact O-CB 3.33Å; E2-R5 PolarHBondContact O-N 2.7Å; E2-R5 VanDerWaalsContact O-N 3.14Å; R5-I7 PolarHBondContact O-N 3.04Å; R5-N8 PolarHBondContact O-N 3.06Å; R5-V9 VanDerWaalsContact O-CG2 3.27Å; R5-V9 WeakPolarHBondContact O-CG2 3.31Å; R5-V9 PolarHBondContact O-N 3.48Å
6M64.8Low77.1Confident140 Ų140128.8 Ų128.869%0.6963%0.628SS**Hα-helixtrans-60.9-43.7177.1-70.5-87.6-81.600112.2E2 R3 N8 V9 Q10E2-M6 WeakPolarHBondContact O-CG 3.32Å; E2-M6 PolarHBondContact O-N 3.43Å; R3-M6 PolarHBondContact O-N 3.27Å; M6-N8 PolarHBondContact O-N 3.49Å; M6-V9 PolarHBondContact O-N 3.06Å; M6-Q10 WeakPolarHBondContact O-CB 3.35Å; M6-Q10 PolarHBondContact O-N 3.08Å
7I78.4Confident77.6Confident95 Ų95127.9 Ų127.949%0.48762%0.622SS.*Hα-helixtrans-64.1-41.6177.5-66.6163.5000111.3R3 V4 R5 Q10 R11R3-I7 WeakPolarHBondContact O-CD1 3.24Å; R3-I7 VanDerWaalsContact O-CG1 3.31Å; R3-I7 WeakPolarHBondContact O-CG1 3.29Å; R3-I7 PolarHBondContact O-N 3.45Å; R3-I7 VanDerWaalsContact O-N 3.17Å; V4-I7 PolarHBondContact O-N 3.22Å; R5-I7 PolarHBondContact O-N 3.04Å; I7-Q10 PolarHBondContact O-N 2.97Å; I7-R11 WeakPolarHBondContact O-CG 3.25Å; I7-R11 PolarHBondContact O-N 3.38Å
8N80.8Confident78.1Confident101 Ų101127.8 Ų127.854%0.5462%0.619SS.*Hα-helixtrans-67.2-40.4179.1-69.8-16000112.2V4 R5 M6 R11 L12V4-N8 VanDerWaalsContact O-CG 3.23Å; V4-N8 PolarHBondContact O-N 2.8Å; V4-N8 VanDerWaalsContact O-N 3.09Å; V4-N8 PolarHBondContact O-ND2 3.39Å; R5-N8 PolarHBondContact O-N 3.06Å; M6-N8 PolarHBondContact O-N 3.49Å; N8-R11 PolarHBondContact O-N 3.36Å; N8-L12 WeakPolarHBondContact O-CB 3.34Å; N8-L12 PolarHBondContact O-N 3.03Å
9V82.2Confident78.1Confident84 Ų84126.8 Ų126.851%0.50962%0.616SS.*Hα-helixtrans-64.8-43.6175.8171.70000110.5R5 M6 R11 L12 L13R5-V9 VanDerWaalsContact O-CG2 3.27Å; R5-V9 WeakPolarHBondContact O-CG2 3.31Å; R5-V9 PolarHBondContact O-N 3.48Å; M6-V9 PolarHBondContact O-N 3.06Å; V9-R11 PolarHBondContact O-N 2.83Å; V9-L12 PolarHBondContact O-N 2.85Å; V9-L12 VanDerWaalsContact O-N 3.17Å; V9-L13 HydrophobicContact CG1-CD1 4.07Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CG 3.42Å; V9-L13 PolarHBondContact O-N 3.24Å
10Q84.5Confident78.1Confident136 Ų136125.9 Ų125.964%0.63661%0.611SS**Hα-helixtrans-62.3-42.6178.1-169.9172.26.100112.2M6 I7 L12 L13 E14M6-Q10 WeakPolarHBondContact O-CB 3.35Å; M6-Q10 PolarHBondContact O-N 3.08Å; I7-Q10 PolarHBondContact O-N 2.97Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 2.97Å; Q10-L13 PolarHBondContact O-N 3.21Å; Q10-E14 PolarHBondContact O-N 3.07Å
11R86.3Confident77.9Confident180 Ų180125.5 Ų125.568%0.67960%0.603SS**Hα-helixtrans-64.7-35174.3-74.8-146.1177-164.4-1.1113.2I7 N8 V9 A15I7-R11 WeakPolarHBondContact O-CG 3.25Å; I7-R11 PolarHBondContact O-N 3.38Å; N8-R11 PolarHBondContact O-N 3.36Å; V9-R11 PolarHBondContact O-N 2.83Å; R11-A15 WeakPolarHBondContact O-CB 3.42Å; R11-A15 PolarHBondContact O-N 3.49Å
12L89.8Confident78.5Confident130 Ų130123.3 Ų123.368%0.68158%0.584SS**Hα-helixtrans-69.8-37.8177.7-16765.5000111.5N8 V9 Q10 A15 A16N8-L12 WeakPolarHBondContact O-CB 3.34Å; N8-L12 PolarHBondContact O-N 3.03Å; V9-L12 PolarHBondContact O-N 2.85Å; V9-L12 VanDerWaalsContact O-N 3.17Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 2.97Å; L12-A15 PolarHBondContact O-N 3.09Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.21Å
13L87.8Confident78.5Confident113 Ų113122 Ų12259%0.59258%0.577SS**Hα-helixtrans-66-43.4173.9-69.7170.4000111.9V9 Q10 A15 A16 E17V9-L13 HydrophobicContact CG1-CD1 4.07Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CG 3.42Å; V9-L13 PolarHBondContact O-N 3.24Å; Q10-L13 PolarHBondContact O-N 3.21Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.41Å; L13-A16 PolarHBondContact O-N 2.96Å; L13-E17 PolarHBondContact O-N 2.94Å
14E89.1Confident78.7Confident131 Ų131117.5 Ų117.561%0.61256%0.56SS**Hα-helixtrans-61.5-41.4175.4-174.2-179.7-176.700111.9Q10 A16 E17 F18Q10-E14 PolarHBondContact O-N 3.07Å; E14-A16 VanDerWaalsContact C-N 3.35Å; E14-E17 PolarHBondContact O-N 3.05Å; E14-F18 PolarHBondContact O-N 3.4Å; E14-F18 VanDerWaalsContact O-N 3.1Å
15A86.9Confident78Confident50 Ų50119.8 Ų119.841%0.41357%0.565SS.*Hα-helixtrans-65.6-36.5174.800000112.5R11 L12 L13 F18 L19R11-A15 WeakPolarHBondContact O-CB 3.42Å; R11-A15 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 3.09Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.41Å; A15-F18 PolarHBondContact O-N 2.78Å; A15-L19 PolarHBondContact O-N 3.16Å; A15-L19 VanDerWaalsContact O-N 3.15Å
16A87Confident77.4Confident52 Ų52116.3 Ų116.343%0.4357%0.567SS.*Hα-helixtrans-66.8-45.1176.600000111.9L12 L13 E14 F18 L19 E20L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.21Å; L13-A16 PolarHBondContact O-N 2.96Å; E14-A16 VanDerWaalsContact C-N 3.35Å; A16-F18 VanDerWaalsContact C-N 3.26Å; A16-F18 PolarHBondContact O-N 3.31Å; A16-L19 PolarHBondContact O-N 3.13Å; A16-E20 PolarHBondContact O-N 3.01Å
17E85Confident76.8Confident114 Ų114116.7 Ų116.753%0.53357%0.567SS.*Hα-helixtrans-59.8-36.9173.7-82.9-168.1172.600112.4L13 E14 E20 R21L13-E17 PolarHBondContact O-N 2.94Å; E14-E17 PolarHBondContact O-N 3.05Å; E17-E20 PolarHBondContact O-N 3.28Å; E17-R21 WeakPolarHBondContact O-CB 3.45Å; E17-R21 PolarHBondContact O-N 3.13Å
18F86.2Confident75.4Confident127 Ų127118.8 Ų118.856%0.55758%0.575SS**Hα-helixtrans-65.2-41.3177.4-175.8-93.9000112.1E14 A15 A16 R22E14-F18 PolarHBondContact O-N 3.4Å; E14-F18 VanDerWaalsContact O-N 3.1Å; A15-F18 PolarHBondContact O-N 2.78Å; A16-F18 VanDerWaalsContact C-N 3.26Å; A16-F18 PolarHBondContact O-N 3.31Å; F18-R22 WeakPolarHBondContact O-CB 3.5Å; F18-R22 PolarHBondContact O-N 2.94Å; F18-R22 VanDerWaalsContact O-N 3.11Å
19L79.3Confident74.2Confident109 Ų109116.8 Ų116.857%0.57158%0.577SS**Hα-helixtrans-65.9-43.1176.2-70.9174000111.8A15 A16 R22 E23A15-L19 PolarHBondContact O-N 3.16Å; A15-L19 VanDerWaalsContact O-N 3.15Å; A16-L19 PolarHBondContact O-N 3.13Å; L19-R22 PolarHBondContact O-N 2.95Å; L19-E23 WeakPolarHBondContact O-CB 3.35Å; L19-E23 PolarHBondContact O-N 3.3Å
20E77.1Confident72.8Confident108 Ų108124 Ų12451%0.50560%0.597SS.*Hα-helixtrans-67.1-36.9179.9-166.7-176.8-158.400112.6A16 E17 R24A16-E20 PolarHBondContact O-N 3.01Å; E17-E20 PolarHBondContact O-N 3.28Å; E20-R24 PolarHBondContact O-N 3.3Å; E20-R24 IonicContact OE2-NH2 3.35Å
21R74.1Confident70.8Confident117 Ų117122.2 Ų122.244%0.44261%0.606SS.*Hα-helixtrans-65.5-42.5173.7-170.2177-66.5113.52.7111.3E17 R24 E25E17-R21 WeakPolarHBondContact O-CB 3.45Å; E17-R21 PolarHBondContact O-N 3.13Å; R21-R24 PolarHBondContact O-N 3.06Å; R21-E25 WeakPolarHBondContact O-CG 3.34Å; R21-E25 PolarHBondContact O-N 2.87Å
22R70.8Confident69.2Low156 Ų156118.9 Ų118.959%0.58961%0.61SS**Hα-helixtrans-65.1-38.5177.7-166.5-177.5-159.1-174.36.5112.3F18 L19 E25 C26F18-R22 WeakPolarHBondContact O-CB 3.5Å; F18-R22 PolarHBondContact O-N 2.94Å; F18-R22 VanDerWaalsContact O-N 3.11Å; L19-R22 PolarHBondContact O-N 2.95Å; R22-E25 PolarHBondContact O-N 3.39Å; R22-C26 PolarHBondContact O-N 3.36Å; R22-C26 PolarHBondContact O-SG 3.42Å; R22-C26 VanDerWaalsContact O-SG 3.38Å
23E60.7Low67.1Low132 Ų132118.1 Ų118.162%0.61762%0.615SS**Hα-helixtrans-64.7-43.1179.2-166.8167.9-154.800111.5L19 E25 C26L19-E23 WeakPolarHBondContact O-CB 3.35Å; L19-E23 PolarHBondContact O-N 3.3Å; E23-E25 PolarHBondContact O-N 3.35Å; E23-C26 PolarHBondContact O-N 3.18Å
24R64.4Low64.6Low124 Ų124122.4 Ų122.447%0.46863%0.63SS.*Hα-helixtrans-65.4-34.6176.6-78.2-175-93.1100-4.2114.2E20 R21 H28E20-R24 PolarHBondContact O-N 3.3Å; E20-R24 IonicContact OE2-NH2 3.35Å; R21-R24 PolarHBondContact O-N 3.06Å; R24-H28 PolarHBondContact O-ND1 3.28Å
25E55.7Low62.6Low137 Ų137121.8 Ų121.864%0.6464%0.637SS**Hα-helixtrans-73-27.5177.5-72.4172.6-164.100112.7R21 R22 E23 E27R21-E25 WeakPolarHBondContact O-CG 3.34Å; R21-E25 PolarHBondContact O-N 2.87Å; R22-E25 PolarHBondContact O-N 3.39Å; E23-E25 PolarHBondContact O-N 3.35Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.26Å
26C54.4Low60.4Low106 Ų106124.8 Ų124.872%0.71666%0.655SS**Hα-helixtrans-73.7-18.9175.8-72.90000113.8R22 E23R22-C26 PolarHBondContact O-N 3.36Å; R22-C26 PolarHBondContact O-SG 3.42Å; R22-C26 VanDerWaalsContact O-SG 3.38Å; E23-C26 PolarHBondContact O-N 3.18Å
27E52.9Low58Low148 Ų148130.9 Ų130.969%0.69268%0.677SS**Hα-helixtrans-91-21.3-179.4-70.8-172.7153.100114.4E25E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.26Å
28H49.4Very low56.1Low140 Ų140130.5 Ų130.565%0.64868%0.684SS**  trans-106.517.2-167.5-69.883000115.5R24 Y30R24-H28 PolarHBondContact O-ND1 3.28Å; H28-Y30 VanDerWaalsContact C-N 3.31Å; H28-Y30 PolarHBondContact O-N 3.14Å
29G55.4Low53.6Low58 Ų58129.9 Ų129.960%0.59870%0.696SS**THydrogen-bonded Turntrans-74.41.6-177.700000117.6
30Y51.7Low52.2Low236 Ų236129.6 Ų129.693%0.92570%0.7SS**THydrogen-bonded Turntrans-1409.4-171.4-73.4-76.1000117H28H28-Y30 VanDerWaalsContact C-N 3.31Å; H28-Y30 PolarHBondContact O-N 3.14Å
31A42.6Very low50.2Low98 Ų98136.2 Ų136.281%0.8172%0.721SS**  trans-120.566.2-177.600000112.5
32S52.5Low49Very low110 Ų110138.6 Ų138.677%0.76974%0.741SS**PPolyproline II helixtrans-101.8116.6160179.50000108.5F34S32-F34 PolarHBondContact O-N 2.98Å
33S46.5Very low47.6Very low114 Ų114140.5 Ų140.580%0.79776%0.757SS**PPolyproline II helixtrans-56123.3-176.549.80000113.6
34F36Very low46.8Very low203 Ų203143.1 Ų143.189%0.8977%0.769SS**PPolyproline II helixtrans-84.9135.6161-103.1-89.7000109.9S32S32-F34 PolarHBondContact O-N 2.98Å
35P45.4Very low45.6Very low119 Ų119142.4 Ų142.477%0.77378%0.783SS**PPolyproline II helixtrans-77.8138.4178.812.2-0.2000112.2
36S41.2Very low45.2Very low112 Ų112145 Ų14578%0.78379%0.792SS**PPolyproline II helixtrans-59.5139.7171.9166.20000113.4
37M37.9Very low44.7Very low180 Ų180145.7 Ų145.789%0.88780%0.795SS**  trans-141.2153155.6-84.7-61.6-155.200111.3
38P44.2Very low44.5Very low106 Ų106143.6 Ų143.669%0.68879%0.794SS**  trans-115.5144.9-152.733.4-17.2000116.9
39S34.6Very low44.7Very low115 Ų115148.7 Ų148.780%0.80481%0.808SS**  trans68.4172.2143.3-130.60000120.4
40P49.4Very low44.1Very low102 Ų102156.3 Ų156.366%0.66282%0.818SS**  -127.3159-55.529.2-12000112.4
41R35.1Very low44.3Very low248 Ų248153 Ų15394%0.93682%0.815SS**  trans178.7128.5136.3-99.2161-158.3-107.34.1111.8
42L48.8Very low44.6Very low166 Ų166153.3 Ų153.387%0.86981%0.812SS**  trans-51.9144.9167.6-60.6163000111
43Q41.3Very low44.8Very low197 Ų197158.6 Ų158.692%0.92182%0.815SS**  -171.4136.2123.7-72.2-133.830.200110.4
44H43.4Very low44.8Very low187 Ų187156.3 Ų156.387%0.86680%0.803SS**  trans-55.6139.4174.5-91.846.3000113.2
45S39.6Very low45.7Very low109 Ų109155.3 Ų155.376%0.76280%0.801SS**  168.1125.1125.446.90000113.6
46K46.7Very low45.8Very low191 Ų191158 Ų15883%0.8380%0.801SS**  trans58.7129157.3-58.9178.7-178.21770119.2P48K46-P48 VanDerWaalsContact O-CD 3.31Å; K46-P48 WeakPolarHBondContact O-CD 3.28Å
47P45.1Very low46.5Very low120 Ų120161.8 Ų161.878%0.77981%0.806SS**  trans-78.9120.5167.831.9-28.6000109.4R49P47-R49 PolarHBondContact O-N 3.2Å
48P48.2Very low47Very low104 Ų104156.8 Ų156.868%0.67579%0.788SS**  trans-72.6117.3160.729.2-27.3000106.9K46 R50K46-P48 VanDerWaalsContact O-CD 3.31Å; K46-P48 WeakPolarHBondContact O-CD 3.28Å; P48-R50 PolarHBondContact O-N 2.94Å
49R52.6Low47.3Very low247 Ų247158.2 Ų158.293%0.93280%0.801SS**  trans-58.486.7158.2-84.4-174-94.1-144.6-4.1107.4P47 L51P47-R49 PolarHBondContact O-N 3.2Å; R49-L51 PolarHBondContact O-N 2.98Å; R49-L51 VanDerWaalsContact O-N 3.09Å
50R44.4Very low48.1Very low219 Ų219155.4 Ų155.483%0.82679%0.79SS**  trans-70103.1165.8-76.7-165.4170.8-141.1-0.8106.2P48 S52P48-R50 PolarHBondContact O-N 2.94Å; R50-S52 PolarHBondContact O-N 3.28Å
51L54.4Low48.3Very low165 Ų165153.3 Ų153.386%0.86478%0.778SS**  trans-53.993.3148.6-70.9167.9000106R49 R53R49-L51 PolarHBondContact O-N 2.98Å; R49-L51 VanDerWaalsContact O-N 3.09Å; L51-R53 PolarHBondContact O-N 3.5Å
52S49.4Very low49.3Very low105 Ų105144.8 Ų144.873%0.73476%0.757SS**  trans-71.272.3163.750.20000107.2R50 A54R50-S52 PolarHBondContact O-N 3.28Å; S52-A54 PolarHBondContact O-N 3.41Å
53R55.9Low49.8Very low222 Ų222142.7 Ų142.784%0.83875%0.746SS**  trans-65.474.2145.2178.2150.947.3-174-6.1105.8L51 Q55L51-R53 PolarHBondContact O-N 3.5Å; R53-Q55 PolarHBondContact O-N 3.39Å
54A47.3Very low50.7Low66 Ų66136.9 Ų136.955%0.54572%0.724SS.*  trans-7088.4164.400000105S52 K56S52-A54 PolarHBondContact O-N 3.41Å; A54-K56 HydrophobicContact CB-CG 4.21Å; A54-K56 PolarHBondContact O-N 2.95Å
55Q55.6Low51.8Low181 Ų181131 Ų13185%0.84670%0.704SS**  trans-54.888.7144.1-83.2-127.7-48.500106.6R53R53-Q55 PolarHBondContact O-N 3.39Å
56K46.5Very low53.3Low176 Ų176129.8 Ų129.877%0.76569%0.692SS**  trans-87.3113160.7-77.6-173.3177.9-176.30106A54 S58A54-K56 HydrophobicContact CB-CG 4.21Å; A54-K56 PolarHBondContact O-N 2.95Å; K56-S58 PolarHBondContact O-N 3.02Å
57H56.3Low54.6Low192 Ų192123.1 Ų123.189%0.88967%0.673SS**  trans-24.3117.7158.9-56.7-87.2000111.4
58S48.3Very low56.6Low75 Ų75122.6 Ų122.652%0.52466%0.663SS.*  trans-152.963.7168.266.30000113.8K56 G60K56-S58 PolarHBondContact O-N 3.02Å; S58-G60 PolarHBondContact O-N 3.35Å
59S49.5Very low58.6Low135 Ų135126.3 Ų126.394%0.94466%0.664SS**THydrogen-bonded Turntrans-66.115.2153.147.60000113.3
60G52Low60.5Low57 Ų57117.8 Ų117.859%0.58864%0.642SS**THydrogen-bonded Turntrans-139.27.1176.100000115.9S58S58-G60 PolarHBondContact O-N 3.35Å
61S53Low62.9Low57 Ų57111.2 Ų111.240%0.39963%0.626SS.*SBendtrans-98.8-5.6179.4-1700000113.8N63 T64 S65S61-N63 VanDerWaalsContact C-N 3.29Å; S61-N63 PolarHBondContact O-N 3.42Å; S61-T64 PolarHBondContact O-OG1 3.43Å; S61-T64 VanDerWaalsContact O-OG1 3.11Å; S61-S65 PolarHBondContact O-N 3.2Å; S61-S65 PolarHBondContact O-OG 3Å
62S57.1Low64.9Low70 Ų70108.9 Ų108.949%0.4961%0.611SS.*Hα-helixtrans-67.1-32.2173.461.50000111.9S65 T66S62-S65 PolarHBondContact O-OG 3.38Å; S62-S65 VanDerWaalsContact O-OG 3.07Å; S62-T66 WeakPolarHBondContact O-CB 3.4Å; S62-T66 VanDerWaalsContact O-CG2 3.23Å; S62-T66 WeakPolarHBondContact O-CG2 3.36Å; S62-T66 PolarHBondContact O-N 2.91Å; S62-T66 VanDerWaalsContact O-N 3.13Å; S62-T66 PolarHBondContact O-OG1 2.88Å
63N59.3Low67.2Low121 Ų121107.4 Ų107.465%0.64760%0.595SS**Hα-helixtrans-75.7-33.6-179.9-77.12.7000112.9S61 T66 A67S61-N63 VanDerWaalsContact C-N 3.29Å; S61-N63 PolarHBondContact O-N 3.42Å; N63-T66 WeakPolarHBondContact CA-OG1 3.43Å; N63-T66 PolarHBondContact O-OG1 3.37Å; N63-T66 VanDerWaalsContact O-OG1 3.04Å; N63-A67 VanDerWaalsContact O-CB 3.24Å; N63-A67 WeakPolarHBondContact O-CB 3.41Å; N63-A67 PolarHBondContact O-N 3.31Å
64T60.9Low69.2Low75 Ų75101.7 Ų101.746%0.4658%0.578SS.*Hα-helixtrans-74.6-39.5177.154.90000111.7S61 A67 N68S61-T64 PolarHBondContact O-OG1 3.43Å; S61-T64 VanDerWaalsContact O-OG1 3.11Å; T64-A67 PolarHBondContact O-N 3.05Å; T64-N68 WeakPolarHBondContact O-CB 3.47Å; T64-N68 PolarHBondContact O-N 3.12Å; T64-N68 PolarHBondContact O-ND2 3.03Å
65S66.1Low71.5Confident65 Ų65104.6 Ų104.646%0.45558%0.583SS.*Hα-helixtrans-67-36.6175.354.20000113S61 S62 R69S61-S65 PolarHBondContact O-N 3.2Å; S61-S65 PolarHBondContact O-OG 3Å; S62-S65 PolarHBondContact O-OG 3.38Å; S62-S65 VanDerWaalsContact O-OG 3.07Å; S65-R69 WeakPolarHBondContact O-CB 3.45Å; S65-R69 PolarHBondContact O-N 3.21Å
66T71.8Confident73.6Confident83 Ų8398.1 Ų98.151%0.50955%0.553SS.*Hα-helixtrans-72.2-39.3173.749.90000112.6S62 N63 R69 S70S62-T66 WeakPolarHBondContact O-CB 3.4Å; S62-T66 VanDerWaalsContact O-CG2 3.23Å; S62-T66 WeakPolarHBondContact O-CG2 3.36Å; S62-T66 PolarHBondContact O-N 2.91Å; S62-T66 VanDerWaalsContact O-N 3.13Å; S62-T66 PolarHBondContact O-OG1 2.88Å; N63-T66 WeakPolarHBondContact CA-OG1 3.43Å; N63-T66 PolarHBondContact O-OG1 3.37Å; N63-T66 VanDerWaalsContact O-OG1 3.04Å; T66-R69 PolarHBondContact O-N 3.37Å; T66-S70 PolarHBondContact O-N 2.87Å
67A73.9Confident76Confident51 Ų5195.5 Ų95.542%0.42154%0.542SS..Hα-helixtrans-60.4-44.7171.800000111.7N63 T64 R69 S70 T71N63-A67 VanDerWaalsContact O-CB 3.24Å; N63-A67 WeakPolarHBondContact O-CB 3.41Å; N63-A67 PolarHBondContact O-N 3.31Å; T64-A67 PolarHBondContact O-N 3.05Å; A67-R69 VanDerWaalsContact C-N 3.32Å; A67-R69 PolarHBondContact O-N 3.48Å; A67-S70 WeakPolarHBondContact O-CB 3.43Å; A67-S70 PolarHBondContact O-N 3.43Å; A67-S70 VanDerWaalsContact O-N 3.17Å; A67-T71 WeakPolarHBondContact O-CG2 3.5Å; A67-T71 PolarHBondContact O-N 3Å; A67-T71 PolarHBondContact O-OG1 2.68Å
68N85.3Confident78Confident108 Ų10891.9 Ų91.958%0.57853%0.529SS*.Hα-helixtrans-64.7-34.1176.3-70.1-16.7000113T64 T71 H72T64-N68 WeakPolarHBondContact O-CB 3.47Å; T64-N68 PolarHBondContact O-N 3.12Å; T64-N68 PolarHBondContact O-ND2 3.03Å; N68-T71 WeakPolarHBondContact CA-OG1 3.46Å; N68-T71 PolarHBondContact O-OG1 2.71Å; N68-H72 WeakPolarHBondContact O-CB 3.37Å; N68-H72 PolarHBondContact O-N 3.22Å; N68-H72 VanDerWaalsContact O-N 3.1Å
69R91.9Very high80.4Confident182 Ų18294.5 Ų94.569%0.68753%0.527SS*.Hα-helixtrans-69.9-36.5174.1-171.1175.7176.2-170.9-2.1111.7S65 T66 A67 N73S65-R69 WeakPolarHBondContact O-CB 3.45Å; S65-R69 PolarHBondContact O-N 3.21Å; T66-R69 PolarHBondContact O-N 3.37Å; A67-R69 VanDerWaalsContact C-N 3.32Å; A67-R69 PolarHBondContact O-N 3.48Å; R69-N73 WeakPolarHBondContact O-CB 3.43Å; R69-N73 PolarHBondContact O-N 3.41Å; R69-N73 PolarHBondContact O-ND2 3.34Å; R69-N73 PolarHBondContact O-OD1 3.35Å
70S91.5Very high82.7Confident68 Ų6894.3 Ų94.348%0.47651%0.506SS..Hα-helixtrans-66-47.7176.3-168.50000111.6T66 A67 H72 N73 E74T66-S70 PolarHBondContact O-N 2.87Å; A67-S70 WeakPolarHBondContact O-CB 3.43Å; A67-S70 PolarHBondContact O-N 3.43Å; A67-S70 VanDerWaalsContact O-N 3.17Å; S70-H72 PolarHBondContact O-N 2.96Å; S70-N73 PolarHBondContact O-N 3.01Å; S70-N73 VanDerWaalsContact O-N 3.16Å; S70-E74 PolarHBondContact O-N 2.95Å
71T95.4Very high85Confident81 Ų8194 Ų9450%0.49750%0.498SS..Hα-helixtrans-60.8-43.7176.456.20000111.7A67 N68 N73 E74 L75A67-T71 WeakPolarHBondContact O-CG2 3.5Å; A67-T71 PolarHBondContact O-N 3Å; A67-T71 PolarHBondContact O-OG1 2.68Å; N68-T71 WeakPolarHBondContact CA-OG1 3.46Å; N68-T71 PolarHBondContact O-OG1 2.71Å; T71-N73 VanDerWaalsContact C-N 3.34Å; T71-N73 PolarHBondContact O-N 3.37Å; T71-E74 PolarHBondContact O-N 3.46Å; T71-L75 WeakPolarHBondContact O-CG 3.18Å; T71-L75 PolarHBondContact O-N 3.35Å
72H96.4Very high87.1Confident116 Ų11697 Ų9754%0.53751%0.505SS..Hα-helixtrans-57.3-44.8173.7175.6-82.2000112.4N68 S70 L75 E76N68-H72 WeakPolarHBondContact O-CB 3.37Å; N68-H72 PolarHBondContact O-N 3.22Å; N68-H72 VanDerWaalsContact O-N 3.1Å; S70-H72 PolarHBondContact O-N 2.96Å; H72-L75 PolarHBondContact O-N 3.2Å; H72-E76 WeakPolarHBondContact O-CB 3.42Å; H72-E76 PolarHBondContact O-N 3.49Å
73N97.3Very high89.1Confident74 Ų7497.5 Ų97.540%0.39650%0.502SS..Hα-helixtrans-64.4-40.4179-73.5-13.6000112.3R69 S70 T71 E76 K77R69-N73 WeakPolarHBondContact O-CB 3.43Å; R69-N73 PolarHBondContact O-N 3.41Å; R69-N73 PolarHBondContact O-ND2 3.34Å; R69-N73 PolarHBondContact O-OD1 3.35Å; S70-N73 PolarHBondContact O-N 3.01Å; S70-N73 VanDerWaalsContact O-N 3.16Å; T71-N73 VanDerWaalsContact C-N 3.34Å; T71-N73 PolarHBondContact O-N 3.37Å; N73-E76 PolarHBondContact O-N 2.84Å; N73-K77 WeakPolarHBondContact O-CB 3.34Å; N73-K77 VanDerWaalsContact O-CG 3.26Å; N73-K77 WeakPolarHBondContact O-CG 3.49Å; N73-K77 PolarHBondContact O-N 3.21Å
74E97.3Very high90.8Very high102 Ų10299.4 Ų99.448%0.47750%0.5SS..Hα-helixtrans-64.2-43.2175.4-74.1-54.7129.600111.8S70 T71 E76 K77 N78S70-E74 PolarHBondContact O-N 2.95Å; T71-E74 PolarHBondContact O-N 3.46Å; E74-E76 PolarHBondContact O-N 3.36Å; E74-K77 PolarHBondContact O-N 3.25Å; E74-K77 IonicContact OE1-NZ 3.6Å; E74-K77 PolarHBondContact OE1-NZ 3.1Å; E74-N78 WeakPolarHBondContact O-CB 3.4Å; E74-N78 PolarHBondContact O-N 2.97Å
75L97.3Very high92.6Very high127 Ų12799.6 Ų99.667%0.66550%0.498SS*.Hα-helixtrans-61.3-43.3174.5-68.9175.6000111.9T71 H72 N78 R79T71-L75 WeakPolarHBondContact O-CG 3.18Å; T71-L75 PolarHBondContact O-N 3.35Å; H72-L75 PolarHBondContact O-N 3.2Å; L75-N78 PolarHBondContact O-N 3.41Å; L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 PolarHBondContact O-N 3.39Å
76E98.1Very high94.1Very high46 Ų4699.2 Ų99.222%0.21550%0.495CS..Hα-helixtrans-68.3-36.4178.217857.4-163.300112.2H72 N73 E74 R79 R80H72-E76 WeakPolarHBondContact O-CB 3.42Å; H72-E76 PolarHBondContact O-N 3.49Å; N73-E76 PolarHBondContact O-N 2.84Å; E74-E76 PolarHBondContact O-N 3.36Å; E76-R79 PolarHBondContact O-N 2.96Å; E76-R79 IonicContact OE1-CZ 2.76Å; E76-R79 IonicContact OE1-NE 2.72Å; E76-R79 IonicContact OE1-NH2 3.54Å; E76-R79 PolarHBondContact OE1-NH2 3.47Å; E76-R79 IonicContact OE2-CZ 3.45Å; E76-R79 IonicContact OE2-NE 2.71Å; E76-R79 PolarHBondContact OE2-NE 2.98Å; E76-R79 IonicContact OE2-NH2 3.87Å; E76-R79 PolarHBondContact OE2-NH2 2.97Å; E76-R80 WeakPolarHBondContact O-CB 3.42Å; E76-R80 VanDerWaalsContact O-CG 3.27Å; E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-N 3.45Å; E76-R80 IonicContact OE1-CZ 2.75Å; E76-R80 IonicContact OE1-NE 3.5Å; E76-R80 PolarHBondContact OE1-NE 3.49Å; E76-R80 IonicContact OE1-NH2 3.57Å; E76-R80 PolarHBondContact OE1-NH2 3.37Å
77K98.4Very high95.2Very high120 Ų12096.6 Ų96.652%0.52248%0.478SS..Hα-helixtrans-61.2-47171.8-76.6174.1-170.8171.90110.9N73 E74 R80 A81N73-K77 WeakPolarHBondContact O-CB 3.34Å; N73-K77 VanDerWaalsContact O-CG 3.26Å; N73-K77 WeakPolarHBondContact O-CG 3.49Å; N73-K77 PolarHBondContact O-N 3.21Å; E74-K77 PolarHBondContact O-N 3.25Å; E74-K77 IonicContact OE1-NZ 3.6Å; E74-K77 PolarHBondContact OE1-NZ 3.1Å; K77-R80 PolarHBondContact O-N 3.37Å; K77-A81 PolarHBondContact O-N 3.31Å
78N98.3Very high96.2Very high117 Ų117100.1 Ų100.163%0.62649%0.485SS*.Hα-helixtrans-61.4-47.5178-174.3-82.9000111.2E74 L75 R80 A81 H82E74-N78 WeakPolarHBondContact O-CB 3.4Å; E74-N78 PolarHBondContact O-N 2.97Å; L75-N78 PolarHBondContact O-N 3.41Å; N78-R80 VanDerWaalsContact C-N 3.3Å; N78-R80 PolarHBondContact O-N 3Å; N78-A81 WeakPolarHBondContact O-CB 3.44Å; N78-A81 PolarHBondContact O-N 2.95Å; N78-A81 VanDerWaalsContact O-N 3.09Å; N78-H82 PolarHBondContact O-N 3.1Å
79R98.4Very high96.7Very high129 Ų129103.3 Ų103.349%0.48749%0.489SS..Hα-helixtrans-56-43.8175.3-166.7-164.269.778.51.4111.9L75 E76 H82 L83L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 PolarHBondContact O-N 3.39Å; E76-R79 PolarHBondContact O-N 2.96Å; E76-R79 IonicContact OE1-CZ 2.76Å; E76-R79 IonicContact OE1-NE 2.72Å; E76-R79 IonicContact OE1-NH2 3.54Å; E76-R79 PolarHBondContact OE1-NH2 3.47Å; E76-R79 IonicContact OE2-CZ 3.45Å; E76-R79 IonicContact OE2-NE 2.71Å; E76-R79 PolarHBondContact OE2-NE 2.98Å; E76-R79 IonicContact OE2-NH2 3.87Å; E76-R79 PolarHBondContact OE2-NH2 2.97Å; R79-H82 PolarHBondContact O-N 2.96Å; R79-L83 PolarHBondContact O-N 3.01Å
80R98.2Very high96.9Very high131 Ų13196.8 Ų96.849%0.49447%0.467SS..Hα-helixtrans-67.1-37.5176.5-73.8178.5-173.3-166.62.2112.7E76 K77 N78 L83 R84E76-R80 WeakPolarHBondContact O-CB 3.42Å; E76-R80 VanDerWaalsContact O-CG 3.27Å; E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-N 3.45Å; E76-R80 IonicContact OE1-CZ 2.75Å; E76-R80 IonicContact OE1-NE 3.5Å; E76-R80 PolarHBondContact OE1-NE 3.49Å; E76-R80 IonicContact OE1-NH2 3.57Å; E76-R80 PolarHBondContact OE1-NH2 3.37Å; K77-R80 PolarHBondContact O-N 3.37Å; N78-R80 VanDerWaalsContact C-N 3.3Å; N78-R80 PolarHBondContact O-N 3Å; R80-L83 PolarHBondContact O-N 3.14Å; R80-R84 WeakPolarHBondContact O-CG 3.46Å; R80-R84 PolarHBondContact O-N 3.37Å; R80-R84 VanDerWaalsContact O-N 3.07Å
81A98.4Very high97Very high51 Ų5197.3 Ų97.342%0.42146%0.461SS..Hα-helixtrans-63-46.4174.700000110.9K77 N78 L83 R84 L85K77-A81 PolarHBondContact O-N 3.31Å; N78-A81 WeakPolarHBondContact O-CB 3.44Å; N78-A81 PolarHBondContact O-N 2.95Å; N78-A81 VanDerWaalsContact O-N 3.09Å; A81-L83 PolarHBondContact O-N 2.89Å; A81-R84 PolarHBondContact O-N 3.24Å; A81-L85 PolarHBondContact O-N 3.11Å; A81-L85 VanDerWaalsContact O-N 3.1Å
82H98.4Very high96.8Very high119 Ų11999.6 Ų99.655%0.55148%0.475SS*.Hα-helixtrans-59-45.6174.9-177.7-96.5000112N78 R79 R84 L85 C86N78-H82 PolarHBondContact O-N 3.1Å; R79-H82 PolarHBondContact O-N 2.96Å; H82-R84 VanDerWaalsContact C-N 3.31Å; H82-R84 PolarHBondContact O-N 3.06Å; H82-L85 WeakPolarHBondContact O-CB 3.36Å; H82-L85 PolarHBondContact O-N 3.29Å; H82-L85 VanDerWaalsContact O-N 3.15Å; H82-C86 PolarHBondContact CE1-SG 3.4Å; H82-C86 PolarHBondContact O-N 3.35Å; H82-C86 PolarHBondContact O-SG 2.96Å
83L98Very high96.7Very high81 Ų81100.3 Ų100.342%0.42448%0.482SS..Hα-helixtrans-58.4-42.5176.917860.5000112.3R79 R80 A81 L85 C86 L87R79-L83 PolarHBondContact O-N 3.01Å; R80-L83 PolarHBondContact O-N 3.14Å; A81-L83 PolarHBondContact O-N 2.89Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 2.86Å; L83-C86 PolarHBondContact O-N 3.36Å; L83-L87 HydrophobicContact CD1-CD1 4.34Å; L83-L87 HydrophobicContact CD1-CG 4.33Å; L83-L87 HydrophobicContact CG-CD1 4.18Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 2.97Å
84R96.6Very high96.6Very high162 Ų16297.4 Ų97.461%0.61147%0.466SS*.Hα-helixtrans-61.2-43176.6-71.7179.5-169.5114.8-5.3111.6R80 A81 H82 C86 L87 E88R80-R84 WeakPolarHBondContact O-CG 3.46Å; R80-R84 PolarHBondContact O-N 3.37Å; R80-R84 VanDerWaalsContact O-N 3.07Å; A81-R84 PolarHBondContact O-N 3.24Å; H82-R84 VanDerWaalsContact C-N 3.31Å; H82-R84 PolarHBondContact O-N 3.06Å; R84-C86 PolarHBondContact O-N 3.42Å; R84-L87 PolarHBondContact O-N 3.38Å; R84-E88 WeakPolarHBondContact O-CB 3.41Å; R84-E88 PolarHBondContact O-N 3.42Å
85L97.6Very high96.2Very high79 Ų7996.8 Ų96.841%0.41447%0.471SS..Hα-helixtrans-60.6-44.1176.1179.566000111.9A81 H82 L83 L87 E88 R89A81-L85 PolarHBondContact O-N 3.11Å; A81-L85 VanDerWaalsContact O-N 3.1Å; H82-L85 WeakPolarHBondContact O-CB 3.36Å; H82-L85 PolarHBondContact O-N 3.29Å; H82-L85 VanDerWaalsContact O-N 3.15Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 2.86Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.96Å; L85-E88 PolarHBondContact O-N 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.38Å; L85-R89 PolarHBondContact O-N 3.22Å
86C97.7Very high95.5Very high56 Ų5691.9 Ų91.938%0.37845%0.445SS..Hα-helixtrans-60.5-43.7175.5-66.30000112H82 L83 R84 E88 R89 L90H82-C86 PolarHBondContact CE1-SG 3.4Å; H82-C86 PolarHBondContact O-N 3.35Å; H82-C86 PolarHBondContact O-SG 2.96Å; L83-C86 PolarHBondContact O-N 3.36Å; R84-C86 PolarHBondContact O-N 3.42Å; C86-E88 VanDerWaalsContact C-N 3.34Å; C86-R89 PolarHBondContact O-N 2.97Å; C86-L90 WeakPolarHBondContact O-CB 3.4Å; C86-L90 PolarHBondContact O-N 3.47Å
87L95.8Very high94.5Very high29 Ų2991.9 Ų91.915%0.15246%0.458CS..Hα-helixtrans-66.9-35.6178.2-68171.1000112.1L83 R84 L85 L90 K91 T105 L108L83-L87 HydrophobicContact CD1-CD1 4.34Å; L83-L87 HydrophobicContact CD1-CG 4.33Å; L83-L87 HydrophobicContact CG-CD1 4.18Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 2.97Å; R84-L87 PolarHBondContact O-N 3.38Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 3.1Å; L87-K91 WeakPolarHBondContact O-CG 3.47Å; L87-K91 PolarHBondContact O-N 3.17Å; L87-T105 HydrophobicContact CD1-CG2 3.95Å; L87-T105 HydrophobicContact CD2-CG2 3.94Å; L87-L108 HydrophobicContact CB-CD2 4.29Å; L87-L108 HydrophobicContact CD2-CD2 4.02Å; L87-L108 WeakPolarHBondContact O-CD2 3.39Å
88E94.3Very high93.2Very high125 Ų12591.9 Ų91.958%0.58447%0.47SS*.Hα-helixtrans-65.7-46.6175.4-173175.3-174.500111.7R84 L85 C86 L90 K91 V92R84-E88 WeakPolarHBondContact O-CB 3.41Å; R84-E88 PolarHBondContact O-N 3.42Å; L85-E88 PolarHBondContact O-N 3.32Å; C86-E88 VanDerWaalsContact C-N 3.34Å; E88-L90 VanDerWaalsContact C-N 3.28Å; E88-L90 PolarHBondContact O-N 2.84Å; E88-K91 WeakPolarHBondContact O-CB 3.39Å; E88-K91 PolarHBondContact O-N 3.32Å; E88-K91 VanDerWaalsContact O-N 3.14Å; E88-V92 PolarHBondContact O-N 2.99Å
89R96.1Very high91.4Very high175 Ų17593.2 Ų93.266%0.6648%0.477SS*.Hα-helixtrans-57.7-43172.4-72.6-180172.6-139.8-1.5111.9L85 C86 K91 V92L85-R89 WeakPolarHBondContact O-CG 3.38Å; L85-R89 PolarHBondContact O-N 3.22Å; C86-R89 PolarHBondContact O-N 2.97Å; R89-K91 VanDerWaalsContact C-N 3.28Å; R89-K91 PolarHBondContact O-N 3.35Å; R89-V92 PolarHBondContact O-N 3.47Å
90L95.6Very high90Very high44 Ų4488.2 Ų88.223%0.2346%0.462CS..Hα-helixtrans-61.3-36.7178.2-178.161.1000112.2C86 L87 E88 V92 L93 I94 L108 L109 A112C86-L90 WeakPolarHBondContact O-CB 3.4Å; C86-L90 PolarHBondContact O-N 3.47Å; L87-L90 PolarHBondContact O-N 3.1Å; E88-L90 VanDerWaalsContact C-N 3.28Å; E88-L90 PolarHBondContact O-N 2.84Å; L90-V92 VanDerWaalsContact C-N 3.28Å; L90-V92 PolarHBondContact O-N 3.48Å; L90-L93 PolarHBondContact O-N 3.15Å; L90-I94 HydrophobicContact CD1-CD1 3.65Å; L90-I94 HydrophobicContact CD1-CG1 4.15Å; L90-I94 HydrophobicContact CD2-CD1 4.25Å; L90-I94 HydrophobicContact CG-CD1 3.6Å; L90-I94 HydrophobicContact CG-CG1 4.46Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 3.07Å; L90-L108 HydrophobicContact CB-CD2 4.28Å; L90-L108 HydrophobicContact CD2-CD2 3.9Å; L90-L108 HydrophobicContact CD2-CG 3.9Å; L90-L108 HydrophobicContact CG-CD1 4.48Å; L90-L108 HydrophobicContact CG-CD2 4.15Å; L90-L108 HydrophobicContact CG-CG 4.17Å; L90-L109 HydrophobicContact CD2-CD2 4.07Å; L90-A112 HydrophobicContact CD1-CB 4.29Å; L90-A112 HydrophobicContact CD2-CB 4.45Å
91K92.8Very high88.5Confident80 Ų8088.7 Ų88.735%0.34848%0.479SS..Hα-helixtrans-61.1-35.8177.8-73171.5-176179.90113.1L87 E88 R89 L93 L96 L108L87-K91 WeakPolarHBondContact O-CG 3.47Å; L87-K91 PolarHBondContact O-N 3.17Å; E88-K91 WeakPolarHBondContact O-CB 3.39Å; E88-K91 PolarHBondContact O-N 3.32Å; E88-K91 VanDerWaalsContact O-N 3.14Å; R89-K91 VanDerWaalsContact C-N 3.28Å; R89-K91 PolarHBondContact O-N 3.35Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.22Å; K91-L96 HydrophobicContact CB-CD1 3.83Å; K91-L96 HydrophobicContact CG-CD1 3.9Å; K91-L108 HydrophobicContact CB-CD1 4.49Å; K91-L108 HydrophobicContact CG-CD1 3.76Å; K91-L108 HydrophobicContact CG-CD2 3.75Å; K91-L108 HydrophobicContact CG-CG 4.43Å
92V92.8Very high87.4Confident129 Ų12995.9 Ų95.978%0.78250%0.496SS*.Hα-helixtrans-69.2-31.2-179.9-179.50000111.5E88 R89 L90E88-V92 PolarHBondContact O-N 2.99Å; R89-V92 PolarHBondContact O-N 3.47Å; L90-V92 VanDerWaalsContact C-N 3.28Å; L90-V92 PolarHBondContact O-N 3.48Å
93L94.1Very high86.8Confident130 Ų13094.2 Ų94.268%0.68149%0.488SS*.Hα-helixtrans-82.1-17.7-178.1-62.8176.4000113.8L90 K91L90-L93 PolarHBondContact O-N 3.15Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.22Å
94I93.8Very high86.5Confident13 Ų1393.5 Ų93.57%0.06749%0.487CS..SBendtrans-101.5133.2-175.2-62.2167.7000109.2L90 L96 L108 K111 A112L90-I94 HydrophobicContact CD1-CD1 3.65Å; L90-I94 HydrophobicContact CD1-CG1 4.15Å; L90-I94 HydrophobicContact CD2-CD1 4.25Å; L90-I94 HydrophobicContact CG-CD1 3.6Å; L90-I94 HydrophobicContact CG-CG1 4.46Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 3.07Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 HydrophobicContact CB-CD2 4.11Å; I94-L96 HydrophobicContact CB-CG 4Å; I94-L96 HydrophobicContact CG2-CD2 3.54Å; I94-L96 HydrophobicContact CG2-CG 3.85Å; I94-L96 WeakPolarHBondContact O-CG 3.43Å; I94-L96 PolarHBondContact O-N 3.35Å; I94-L108 HydrophobicContact CD1-CD1 3.63Å; I94-L108 HydrophobicContact CD1-CG 4.2Å; I94-K111 HydrophobicContact CG2-CB 4.02Å; I94-A112 HydrophobicContact CD1-CB 3.37Å; I94-A112 HydrophobicContact CG1-CB 4.24Å
95P90.1Very high86.4Confident90 Ų9089.6 Ų89.658%0.58448%0.481SS*.  trans-71.288.4171.428.5-32.5000109.2H115P95-H115 VanDerWaalsContact CD-CD2 3.43Å; P95-H115 WeakPolarHBondContact CD-CD2 3.47Å; P95-H115 WeakPolarHBondContact CD-NE2 3.27Å; P95-H115 VanDerWaalsContact CG-CD2 3.45Å; P95-H115 WeakPolarHBondContact CG-CD2 3.38Å
96L83.1Confident86.3Confident23 Ų2391.4 Ų91.412%0.1249%0.491CS..  trans-82.8-25.2-172.8-72.6174.7000112.9K91 I94 C100 L108 K111K91-L96 HydrophobicContact CB-CD1 3.83Å; K91-L96 HydrophobicContact CG-CD1 3.9Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 HydrophobicContact CB-CD2 4.11Å; I94-L96 HydrophobicContact CB-CG 4Å; I94-L96 HydrophobicContact CG2-CD2 3.54Å; I94-L96 HydrophobicContact CG2-CG 3.85Å; I94-L96 WeakPolarHBondContact O-CG 3.43Å; I94-L96 PolarHBondContact O-N 3.35Å; L96-C100 VanDerWaalsContact C-SG 3.52Å; L96-C100 PolarHBondContact O-SG 3.02Å; L96-L108 HydrophobicContact CD1-CD1 3.8Å; L96-L108 HydrophobicContact CD2-CD1 3.91Å; L96-L108 HydrophobicContact CG-CD1 4.42Å; L96-K111 HydrophobicContact CD2-CB 4.26Å; L96-K111 HydrophobicContact CD2-CD 3.52Å; L96-K111 PolarHBondContact O-NZ 3.32Å
97G75.9Confident86Confident47 Ų4790 Ų9049%0.48549%0.487SS..  trans71.7154.1-176.200000112.4D99 C100G97-D99 PolarHBondContact O-N 3.45Å; G97-C100 PolarHBondContact O-SG 3.47Å
98P70.9Confident85.9Confident120 Ų12088.9 Ų88.978%0.77948%0.481SS*.THydrogen-bonded Turntrans-65-19.7-178.126.7-33.9000113.6C100P98-C100 VanDerWaalsContact C-N 3.33Å; P98-C100 PolarHBondContact O-N 3.24Å
99D60.8Low86Confident144 Ų14487 Ų8777%0.7747%0.474SS*.THydrogen-bonded Turntrans-82.8-4.8-171-51-46.1000114.7G97 T101G97-D99 PolarHBondContact O-N 3.45Å; D99-T101 PolarHBondContact O-N 3.43Å; D99-T101 VanDerWaalsContact O-N 3.1Å
100C69.6Low85.9Confident24 Ų2483.2 Ų83.216%0.16247%0.467CS..  trans-9066.5173.451.60000111.1L96 G97 P98 R102 H103L96-C100 VanDerWaalsContact C-SG 3.52Å; L96-C100 PolarHBondContact O-SG 3.02Å; G97-C100 PolarHBondContact O-SG 3.47Å; P98-C100 VanDerWaalsContact C-N 3.33Å; P98-C100 PolarHBondContact O-N 3.24Å; C100-R102 PolarHBondContact O-N 3.49Å; C100-H103 PolarHBondContact O-CE1 3.31Å; C100-H103 PolarHBondContact SG-CE1 2.98Å
101T65.3Low85.8Confident141 Ų14185.4 Ų85.487%0.86547%0.474SS*.SBendtrans-48.7-23.2172.948.20000113.8D99D99-T101 PolarHBondContact O-N 3.43Å; D99-T101 VanDerWaalsContact O-N 3.1Å
102R76.5Confident86Confident203 Ų20382.2 Ų82.277%0.76646%0.463SS*.SBendtrans-133.3110.7172.2-160.6174.3-163.2-99.82.2112.7C100 T104C100-R102 PolarHBondContact O-N 3.49Å; R102-T104 PolarHBondContact O-N 3.4Å
103H84.8Confident86.2Confident83 Ų8382.5 Ų82.538%0.38445%0.454SS..  trans-84.8102.9171.7-51.7-70.3000110.9C100C100-H103 PolarHBondContact O-CE1 3.31Å; C100-H103 PolarHBondContact SG-CE1 2.98Å
104T92.9Very high86.3Confident66 Ų6679 Ų7941%0.40544%0.444SS..  trans-80.4151.4166.565.90000110R102 L106 G107 L108R102-T104 PolarHBondContact O-N 3.4Å; T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 3.31Å; T104-G107 PolarHBondContact O-N 3.05Å; T104-G107 PolarHBondContact OG1-N 3.27Å; T104-L108 WeakPolarHBondContact O-CB 3.41Å; T104-L108 PolarHBondContact O-N 2.92Å
105T93.9Very high86.4Confident80 Ų8080.8 Ų80.849%0.49145%0.452SS..Hα-helixtrans-57.6-45.5177.1-52.90000111.4L87 L108 L109L87-T105 HydrophobicContact CD1-CG2 3.95Å; L87-T105 HydrophobicContact CD2-CG2 3.94Å; T105-L108 PolarHBondContact O-N 3.06Å; T105-L109 HydrophobicContact CG2-CD1 4.19Å; T105-L109 VanDerWaalsContact O-CG 3.29Å; T105-L109 WeakPolarHBondContact O-CG 3.29Å; T105-L109 PolarHBondContact O-N 2.96Å
106L94.7Very high86.8Confident117 Ų11781 Ų8161%0.61345%0.447SS*.Hα-helixtrans-64.1-44.3179-179.661.7000112.1T104 L108 L109 N110T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 3.31Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 3.31Å; L106-L109 PolarHBondContact O-N 3.14Å; L106-N110 WeakPolarHBondContact O-CB 3.44Å; L106-N110 PolarHBondContact O-N 3.37Å
107G92.4Very high87.5Confident28 Ų2885.8 Ų85.829%0.28947%0.467SS..Hα-helixtrans-61.4-39.9177.700000112.2T104 K111T104-G107 PolarHBondContact O-N 3.05Å; T104-G107 PolarHBondContact OG1-N 3.27Å; G107-K111 WeakPolarHBondContact O-CB 3.48Å; G107-K111 WeakPolarHBondContact O-CG 3.47Å; G107-K111 PolarHBondContact O-N 3.09Å
108L93.6Very high88.6Confident5 Ų590.8 Ų90.83%0.02648%0.475CS..Hα-helixtrans-62.2-47.8175-175.864.3000111.7L87 L90 K91 I94 L96 T104 T105 L106 K111 A112L87-L108 HydrophobicContact CB-CD2 4.29Å; L87-L108 HydrophobicContact CD2-CD2 4.02Å; L87-L108 WeakPolarHBondContact O-CD2 3.39Å; L90-L108 HydrophobicContact CB-CD2 4.28Å; L90-L108 HydrophobicContact CD2-CD2 3.9Å; L90-L108 HydrophobicContact CD2-CG 3.9Å; L90-L108 HydrophobicContact CG-CD1 4.48Å; L90-L108 HydrophobicContact CG-CD2 4.15Å; L90-L108 HydrophobicContact CG-CG 4.17Å; K91-L108 HydrophobicContact CB-CD1 4.49Å; K91-L108 HydrophobicContact CG-CD1 3.76Å; K91-L108 HydrophobicContact CG-CD2 3.75Å; K91-L108 HydrophobicContact CG-CG 4.43Å; I94-L108 HydrophobicContact CD1-CD1 3.63Å; I94-L108 HydrophobicContact CD1-CG 4.2Å; L96-L108 HydrophobicContact CD1-CD1 3.8Å; L96-L108 HydrophobicContact CD2-CD1 3.91Å; L96-L108 HydrophobicContact CG-CD1 4.42Å; T104-L108 WeakPolarHBondContact O-CB 3.41Å; T104-L108 PolarHBondContact O-N 2.92Å; T105-L108 PolarHBondContact O-N 3.06Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 3.31Å; L108-K111 PolarHBondContact O-N 3.17Å; L108-A112 WeakPolarHBondContact O-CB 3.35Å; L108-A112 PolarHBondContact O-N 3.47Å
109L95.5Very high89.9Confident85 Ų8589.8 Ų89.845%0.44546%0.463SS..Hα-helixtrans-64.7-40.3179.8-66.1174.1000112.2L90 T105 L106 A112 K113L90-L109 HydrophobicContact CD2-CD2 4.07Å; T105-L109 HydrophobicContact CG2-CD1 4.19Å; T105-L109 VanDerWaalsContact O-CG 3.29Å; T105-L109 WeakPolarHBondContact O-CG 3.29Å; T105-L109 PolarHBondContact O-N 2.96Å; L106-L109 PolarHBondContact O-N 3.14Å; L109-A112 WeakPolarHBondContact O-CB 3.31Å; L109-A112 PolarHBondContact O-N 2.92Å; L109-K113 PolarHBondContact O-N 2.9Å
110N94.8Very high91.7Very high95 Ų9587.5 Ų87.551%0.50845%0.447SS..Hα-helixtrans-64.7-43.5175.9-75.8-15.8000111.7L106 A112 K113 A114L106-N110 WeakPolarHBondContact O-CB 3.44Å; L106-N110 PolarHBondContact O-N 3.37Å; N110-A112 VanDerWaalsContact C-N 3.35Å; N110-K113 PolarHBondContact O-N 3.45Å; N110-A114 PolarHBondContact O-N 2.97Å
111K93.4Very high93.1Very high90 Ų9090.4 Ų90.439%0.39146%0.459SS..Hα-helixtrans-64.3-38.4174-75-168.3175.1-152.50111.9I94 L96 G107 L108 A114 H115I94-K111 HydrophobicContact CG2-CB 4.02Å; L96-K111 HydrophobicContact CD2-CB 4.26Å; L96-K111 HydrophobicContact CD2-CD 3.52Å; L96-K111 PolarHBondContact O-NZ 3.32Å; G107-K111 WeakPolarHBondContact O-CB 3.48Å; G107-K111 WeakPolarHBondContact O-CG 3.47Å; G107-K111 PolarHBondContact O-N 3.09Å; L108-K111 PolarHBondContact O-N 3.17Å; K111-A114 PolarHBondContact O-N 2.97Å; K111-H115 WeakPolarHBondContact O-CB 3.48Å; K111-H115 PolarHBondContact O-N 3.31Å
112A96.4Very high94.7Very high14 Ų1486.4 Ų86.412%0.11644%0.44CS..Hα-helixtrans-58.3-50174.500000111.2L90 I94 L108 L109 N110 A114 H115 I116L90-A112 HydrophobicContact CD1-CB 4.29Å; L90-A112 HydrophobicContact CD2-CB 4.45Å; I94-A112 HydrophobicContact CD1-CB 3.37Å; I94-A112 HydrophobicContact CG1-CB 4.24Å; L108-A112 WeakPolarHBondContact O-CB 3.35Å; L108-A112 PolarHBondContact O-N 3.47Å; L109-A112 WeakPolarHBondContact O-CB 3.31Å; L109-A112 PolarHBondContact O-N 2.92Å; N110-A112 VanDerWaalsContact C-N 3.35Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 3.09Å; A112-H115 PolarHBondContact O-N 3.4Å; A112-H115 VanDerWaalsContact O-N 3.17Å; A112-I116 WeakPolarHBondContact O-CG1 3.43Å; A112-I116 PolarHBondContact O-N 3.44Å
113K96.8Very high95.7Very high135 Ų13582.2 Ų82.259%0.58743%0.429SS*.Hα-helixtrans-59.4-43.7177.7-177178.8-178.9178.20111.5L109 N110 K117L109-K113 PolarHBondContact O-N 2.9Å; N110-K113 PolarHBondContact O-N 3.45Å; K113-K117 WeakPolarHBondContact O-CG 3.39Å; K113-K117 PolarHBondContact O-N 2.95Å
114A96.6Very high96.4Very high57 Ų5785.1 Ų85.147%0.47144%0.436SS..Hα-helixtrans-65-39.7176.500000112.1N110 K111 A112 K117 K118N110-A114 PolarHBondContact O-N 2.97Å; K111-A114 PolarHBondContact O-N 2.97Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 3.09Å; A114-K117 PolarHBondContact O-N 3.45Å; A114-K118 PolarHBondContact O-N 3.49Å
115H97.2Very high96.6Very high50 Ų5087.6 Ų87.623%0.23144%0.442CS..Hα-helixtrans-64.8-43.5178.7-173.1-123.1000112.1P95 K111 A112 K117 K118 L119P95-H115 VanDerWaalsContact CD-CD2 3.43Å; P95-H115 WeakPolarHBondContact CD-CD2 3.47Å; P95-H115 WeakPolarHBondContact CD-NE2 3.27Å; P95-H115 VanDerWaalsContact CG-CD2 3.45Å; P95-H115 WeakPolarHBondContact CG-CD2 3.38Å; K111-H115 WeakPolarHBondContact O-CB 3.48Å; K111-H115 PolarHBondContact O-N 3.31Å; A112-H115 PolarHBondContact O-N 3.4Å; A112-H115 VanDerWaalsContact O-N 3.17Å; H115-K117 PolarHBondContact O-N 2.96Å; H115-K118 PolarHBondContact O-N 3.41Å; H115-L119 WeakPolarHBondContact O-CG 3.4Å; H115-L119 PolarHBondContact O-N 3.49Å
116I98.1Very high96.9Very high93 Ų9387.1 Ų87.148%0.47744%0.442SS..Hα-helixtrans-56.6-51.1174.1-67.5165.2000110.1A112 K118 L119 E120A112-I116 WeakPolarHBondContact O-CG1 3.43Å; A112-I116 PolarHBondContact O-N 3.44Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 3Å; I116-L119 PolarHBondContact O-N 3.42Å; I116-L119 VanDerWaalsContact O-N 3.11Å; I116-E120 HydrophobicContact CG2-CG 4.36Å; I116-E120 WeakPolarHBondContact CG2-OE1 3.37Å; I116-E120 WeakPolarHBondContact O-CG 3.36Å; I116-E120 PolarHBondContact O-N 3.01Å
117K98.4Very high97.1Very high125 Ų12586.4 Ų86.454%0.54344%0.435SS..Hα-helixtrans-56.9-41.7177.7-73-175.7171-162.40113K113 A114 H115 E120 E121K113-K117 WeakPolarHBondContact O-CG 3.39Å; K113-K117 PolarHBondContact O-N 2.95Å; A114-K117 PolarHBondContact O-N 3.45Å; H115-K117 PolarHBondContact O-N 2.96Å; K117-E120 PolarHBondContact O-N 3.48Å; K117-E121 WeakPolarHBondContact O-CB 3.41Å; K117-E121 PolarHBondContact O-N 2.72Å
118K98.1Very high97.4Very high152 Ų15289.9 Ų89.966%0.66144%0.443SS*.Hα-helixtrans-63.8-42.3178-176.1-178.7177.5-178.90111.5A114 H115 I116 E121 A122A114-K118 PolarHBondContact O-N 3.49Å; H115-K118 PolarHBondContact O-N 3.41Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 3Å; K118-E121 PolarHBondContact O-N 2.92Å; K118-A122 WeakPolarHBondContact O-CB 3.47Å; K118-A122 PolarHBondContact O-N 3.31Å
119L98.4Very high97.6Very high98 Ų9895.4 Ų95.451%0.51347%0.469SS..Hα-helixtrans-64.5-45.4177-69.5175000111.4H115 I116 E121 A122 E123H115-L119 WeakPolarHBondContact O-CG 3.4Å; H115-L119 PolarHBondContact O-N 3.49Å; I116-L119 PolarHBondContact O-N 3.42Å; I116-L119 VanDerWaalsContact O-N 3.11Å; L119-E121 VanDerWaalsContact C-N 3.28Å; L119-E121 PolarHBondContact O-N 3.17Å; L119-A122 PolarHBondContact O-N 3.46Å; L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 PolarHBondContact O-N 3.46Å
120E98.5Very high97.8Very high96 Ų9696 Ų9645%0.44947%0.473SS..Hα-helixtrans-60.2-37.4176.3-68.9169.3168.400112.1I116 K117 R124I116-E120 HydrophobicContact CG2-CG 4.36Å; I116-E120 WeakPolarHBondContact CG2-OE1 3.37Å; I116-E120 WeakPolarHBondContact O-CG 3.36Å; I116-E120 PolarHBondContact O-N 3.01Å; K117-E120 PolarHBondContact O-N 3.48Å; E120-R124 WeakPolarHBondContact O-CB 3.47Å; E120-R124 PolarHBondContact O-N 2.89Å; E120-R124 VanDerWaalsContact O-N 3.1Å
121E98.6Very high97.9Very high86 Ų8695.8 Ų95.840%0.40247%0.468SS..Hα-helixtrans-71.2-42.1176-169.6-174.7163.200112.9K117 K118 L119 E123 R124 K125K117-E121 WeakPolarHBondContact O-CB 3.41Å; K117-E121 PolarHBondContact O-N 2.72Å; K118-E121 PolarHBondContact O-N 2.92Å; L119-E121 VanDerWaalsContact C-N 3.28Å; L119-E121 PolarHBondContact O-N 3.17Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-R124 PolarHBondContact O-N 2.93Å; E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 3.49Å; E121-K125 WeakPolarHBondContact OE1-CE 3.46Å; E121-K125 IonicContact OE1-NZ 3Å; E121-K125 PolarHBondContact OE1-NZ 2.75Å
122A98.4Very high98.2Very high56 Ų5694.5 Ų94.546%0.46347%0.466SS..Hα-helixtrans-62.4-42.2175.600000111.4K118 L119 K125 S126K118-A122 WeakPolarHBondContact O-CB 3.47Å; K118-A122 PolarHBondContact O-N 3.31Å; L119-A122 PolarHBondContact O-N 3.46Å; A122-K125 PolarHBondContact O-N 3.31Å; A122-S126 WeakPolarHBondContact O-CB 3.27Å; A122-S126 PolarHBondContact O-N 3.35Å
123E98.6Very high98.3Very high116 Ų11698.8 Ų98.854%0.54249%0.486SS..Hα-helixtrans-58.6-49.9174.4-178.6179.6-166.700111.2L119 E121 K125 S126 Q127L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 PolarHBondContact O-N 3.46Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E123-K125 VanDerWaalsContact C-N 3.34Å; E123-K125 PolarHBondContact O-N 2.86Å; E123-S126 PolarHBondContact O-N 2.77Å; E123-Q127 WeakPolarHBondContact O-CG 3.45Å; E123-Q127 PolarHBondContact O-N 3.28Å; E123-Q127 PolarHBondContact OE1-NE2 3.35Å
124R98.7Very high98.4Very high143 Ų14396.9 Ų96.954%0.5448%0.479SS..Hα-helixtrans-58.6-43.5178.1-168.5-174.2-50.297.712.7112.6E120 E121 Q127 H128E120-R124 WeakPolarHBondContact O-CB 3.47Å; E120-R124 PolarHBondContact O-N 2.89Å; E120-R124 VanDerWaalsContact O-N 3.1Å; E121-R124 PolarHBondContact O-N 2.93Å; R124-Q127 PolarHBondContact O-N 2.76Å; R124-H128 PolarHBondContact O-N 3.45Å
125K98.6Very high98.5Very high119 Ų11999.8 Ų99.852%0.51748%0.478SS..Hα-helixtrans-64.5-43.8177.1-72.9177.8-176171.30111.4E121 A122 E123 Q127 H128 Q129E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 3.49Å; E121-K125 WeakPolarHBondContact OE1-CE 3.46Å; E121-K125 IonicContact OE1-NZ 3Å; E121-K125 PolarHBondContact OE1-NZ 2.75Å; A122-K125 PolarHBondContact O-N 3.31Å; E123-K125 VanDerWaalsContact C-N 3.34Å; E123-K125 PolarHBondContact O-N 2.86Å; K125-Q127 VanDerWaalsContact C-N 3.34Å; K125-Q127 PolarHBondContact O-N 2.99Å; K125-H128 PolarHBondContact O-N 3.01Å; K125-Q129 WeakPolarHBondContact O-CG 3.39Å; K125-Q129 PolarHBondContact O-N 2.99Å
126S98.6Very high98.5Very high70 Ų70102.5 Ų102.549%0.4949%0.491SS..Hα-helixtrans-63.6-39.2177.2-173.30000112.1A122 E123 Q129 L130A122-S126 WeakPolarHBondContact O-CB 3.27Å; A122-S126 PolarHBondContact O-N 3.35Å; E123-S126 PolarHBondContact O-N 2.77Å; S126-Q129 PolarHBondContact O-N 2.98Å; S126-L130 WeakPolarHBondContact O-CB 3.36Å; S126-L130 PolarHBondContact O-N 3.44Å
127Q98.7Very high98.5Very high101 Ų101103 Ų10347%0.47249%0.491SS..Hα-helixtrans-62.3-46.5174.9-74.4175.11.400111E123 R124 K125 Q129 L130 E131E123-Q127 WeakPolarHBondContact O-CG 3.45Å; E123-Q127 PolarHBondContact O-N 3.28Å; E123-Q127 PolarHBondContact OE1-NE2 3.35Å; R124-Q127 PolarHBondContact O-N 2.76Å; K125-Q127 VanDerWaalsContact C-N 3.34Å; K125-Q127 PolarHBondContact O-N 2.99Å; Q127-Q129 VanDerWaalsContact C-N 3.33Å; Q127-Q129 PolarHBondContact O-N 3.36Å; Q127-L130 WeakPolarHBondContact O-CB 3.49Å; Q127-L130 PolarHBondContact O-N 3.16Å; Q127-E131 WeakPolarHBondContact O-CG 3.4Å; Q127-E131 PolarHBondContact O-N 3.4Å
128H98.7Very high98.5Very high101 Ų101103.2 Ų103.247%0.46849%0.489SS..Hα-helixtrans-61-41.4176.3-178.165.1000112.6R124 K125 E131 N132R124-H128 PolarHBondContact O-N 3.45Å; K125-H128 PolarHBondContact O-N 3.01Å; H128-E131 PolarHBondContact O-N 3.04Å; H128-N132 PolarHBondContact CD2-ND2 2.98Å; H128-N132 PolarHBondContact CE1-OD1 3.46Å; H128-N132 PolarHBondContact NE2-ND2 3.19Å; H128-N132 PolarHBondContact O-N 3.45Å; H128-N132 PolarHBondContact O-OD1 3.47Å
129Q98.6Very high98.5Very high121 Ų121101.9 Ų101.957%0.56548%0.483SS*.Hα-helixtrans-62.1-42.9175.1-74.2177.7-3.800112K125 S126 Q127 E131 N132 L133K125-Q129 WeakPolarHBondContact O-CG 3.39Å; K125-Q129 PolarHBondContact O-N 2.99Å; S126-Q129 PolarHBondContact O-N 2.98Å; Q127-Q129 VanDerWaalsContact C-N 3.33Å; Q127-Q129 PolarHBondContact O-N 3.36Å; Q129-E131 PolarHBondContact O-N 3.28Å; Q129-N132 PolarHBondContact O-N 2.99Å; Q129-L133 WeakPolarHBondContact O-CG 3.44Å; Q129-L133 PolarHBondContact O-N 3.41Å
130L98.8Very high98.5Very high99 Ų99101.5 Ų101.552%0.51848%0.481SS..Hα-helixtrans-59.1-48175.8-179.164.3000111S126 Q127 N132 L133 E134S126-L130 WeakPolarHBondContact O-CB 3.36Å; S126-L130 PolarHBondContact O-N 3.44Å; Q127-L130 WeakPolarHBondContact O-CB 3.49Å; Q127-L130 PolarHBondContact O-N 3.16Å; L130-N132 VanDerWaalsContact C-N 3.31Å; L130-N132 PolarHBondContact O-N 3.43Å; L130-L133 PolarHBondContact O-N 3.5Å; L130-E134 HydrophobicContact CD1-CG 4.48Å; L130-E134 WeakPolarHBondContact O-CG 3.37Å; L130-E134 PolarHBondContact O-N 3.1Å
131E98.6Very high98.4Very high89 Ų89102.6 Ų102.642%0.41648%0.484SS..Hα-helixtrans-59.3-40.8177.4-70.3179-170.100112.7Q127 H128 Q129 E134 R135Q127-E131 WeakPolarHBondContact O-CG 3.4Å; Q127-E131 PolarHBondContact O-N 3.4Å; H128-E131 PolarHBondContact O-N 3.04Å; Q129-E131 PolarHBondContact O-N 3.28Å; E131-E134 PolarHBondContact O-N 3.5Å; E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 3.21Å; E131-R135 IonicContact OE2-NH2 2.77Å; E131-R135 PolarHBondContact OE2-NH2 2.93Å
132N98.6Very high98.3Very high64 Ų64105 Ų10534%0.34249%0.49SS..Hα-helixtrans-63-47.9177.7-68.4-10.1000110.8H128 Q129 L130 E134 R135 E136H128-N132 PolarHBondContact CD2-ND2 2.98Å; H128-N132 PolarHBondContact CE1-OD1 3.46Å; H128-N132 PolarHBondContact NE2-ND2 3.19Å; H128-N132 PolarHBondContact O-N 3.45Å; H128-N132 PolarHBondContact O-OD1 3.47Å; Q129-N132 PolarHBondContact O-N 2.99Å; L130-N132 VanDerWaalsContact C-N 3.31Å; L130-N132 PolarHBondContact O-N 3.43Å; N132-E134 VanDerWaalsContact C-N 3.29Å; N132-E134 PolarHBondContact O-N 3.05Å; N132-R135 WeakPolarHBondContact O-CB 3.41Å; N132-R135 PolarHBondContact O-N 3.15Å; N132-R135 VanDerWaalsContact O-N 3.14Å; N132-R135 PolarHBondContact OD1-NH1 3.42Å; N132-E136 PolarHBondContact O-N 3.41Å
133L98.7Very high98.1Very high104 Ų104108.5 Ų108.555%0.54549%0.491SS..Hα-helixtrans-63.3-35.1176.8-68.4172.5000111.9Q129 L130 E136 Q137Q129-L133 WeakPolarHBondContact O-CG 3.44Å; Q129-L133 PolarHBondContact O-N 3.41Å; L130-L133 PolarHBondContact O-N 3.5Å; L133-E136 PolarHBondContact O-N 3.34Å; L133-Q137 VanDerWaalsContact O-CB 3.25Å; L133-Q137 WeakPolarHBondContact O-CB 3.49Å; L133-Q137 PolarHBondContact O-N 3.4Å
134E98.6Very high98Very high95 Ų95107.4 Ų107.444%0.44449%0.488SS..Hα-helixtrans-68.4-34.3174.3-75.1-179.7165.200112.8L130 E131 N132 R138L130-E134 HydrophobicContact CD1-CG 4.48Å; L130-E134 WeakPolarHBondContact O-CG 3.37Å; L130-E134 PolarHBondContact O-N 3.1Å; E131-E134 PolarHBondContact O-N 3.5Å; N132-E134 VanDerWaalsContact C-N 3.29Å; N132-E134 PolarHBondContact O-N 3.05Å; E134-R138 WeakPolarHBondContact O-CB 3.38Å; E134-R138 VanDerWaalsContact O-CG 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.39Å; E134-R138 PolarHBondContact O-N 2.96Å; E134-R138 VanDerWaalsContact O-N 3.13Å; E134-R138 PolarHBondContact O-NE 2.93Å
135R98.5Very high97.8Very high118 Ų118107.3 Ų107.345%0.44549%0.494SS..Hα-helixtrans-66.4-46171.5-70.4-177.6-154104.710110.6E131 N132 R138 F139E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 3.21Å; E131-R135 IonicContact OE2-NH2 2.77Å; E131-R135 PolarHBondContact OE2-NH2 2.93Å; N132-R135 WeakPolarHBondContact O-CB 3.41Å; N132-R135 PolarHBondContact O-N 3.15Å; N132-R135 VanDerWaalsContact O-N 3.14Å; N132-R135 PolarHBondContact OD1-NH1 3.42Å; R135-R138 PolarHBondContact O-N 3.28Å; R135-F139 PolarHBondContact O-N 3.17Å
136E98.1Very high97.4Very high106 Ų106107.8 Ų107.850%0.49550%0.498SS..Hα-helixtrans-63.1-46.1178.1-171.5-178174.900111.6N132 L133 R138 F139 L140N132-E136 PolarHBondContact O-N 3.41Å; L133-E136 PolarHBondContact O-N 3.34Å; E136-R138 VanDerWaalsContact C-N 3.28Å; E136-R138 PolarHBondContact O-N 3.1Å; E136-F139 WeakPolarHBondContact O-CB 3.43Å; E136-F139 PolarHBondContact O-N 2.97Å; E136-L140 HydrophobicContact CG-CD1 4.03Å; E136-L140 HydrophobicContact CG-CG 4.31Å; E136-L140 WeakPolarHBondContact O-CG 3.46Å; E136-L140 PolarHBondContact O-N 3.03Å
137Q98.3Very high97.1Very high103 Ų103110.5 Ų110.548%0.48151%0.506SS..Hα-helixtrans-57.3-43.5176.2-169.1-160.770.400111L133 K141L133-Q137 VanDerWaalsContact O-CB 3.25Å; L133-Q137 WeakPolarHBondContact O-CB 3.49Å; L133-Q137 PolarHBondContact O-N 3.4Å; Q137-K141 HydrophobicContact CG-CD 4.24Å; Q137-K141 WeakPolarHBondContact O-CB 3.33Å; Q137-K141 VanDerWaalsContact O-CG 3.24Å; Q137-K141 WeakPolarHBondContact O-CG 3.24Å; Q137-K141 PolarHBondContact O-N 2.98Å
138R98.4Very high96.2Very high131 Ų131110.9 Ų110.949%0.49451%0.508SS..Hα-helixtrans-64.3-40.3175.7-77-177.2-69.8169.1-7.3112.2E134 R135 E136 R142E134-R138 WeakPolarHBondContact O-CB 3.38Å; E134-R138 VanDerWaalsContact O-CG 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.39Å; E134-R138 PolarHBondContact O-N 2.96Å; E134-R138 VanDerWaalsContact O-N 3.13Å; E134-R138 PolarHBondContact O-NE 2.93Å; R135-R138 PolarHBondContact O-N 3.28Å; E136-R138 VanDerWaalsContact C-N 3.28Å; E136-R138 PolarHBondContact O-N 3.1Å; R138-R142 PolarHBondContact O-N 3.28Å
139F98.1Very high94.6Very high123 Ų123107.6 Ų107.654%0.53950%0.502SS..Hα-helixtrans-63-51.2176.5172.9-97.7000111.7R135 E136 K141 R142 R143R135-F139 PolarHBondContact O-N 3.17Å; E136-F139 WeakPolarHBondContact O-CB 3.43Å; E136-F139 PolarHBondContact O-N 2.97Å; F139-K141 VanDerWaalsContact C-N 3.34Å; F139-K141 PolarHBondContact O-N 3.49Å; F139-R142 PolarHBondContact O-N 3.11Å; F139-R143 PolarHBondContact O-N 2.74Å
140L97.8Very high92.7Very high91 Ų91106.6 Ų106.648%0.47651%0.506SS..Hα-helixtrans-62.6-39.2179.6-67.9175.4000112.1E136 R142 R143 L144E136-L140 HydrophobicContact CG-CD1 4.03Å; E136-L140 HydrophobicContact CG-CG 4.31Å; E136-L140 WeakPolarHBondContact O-CG 3.46Å; E136-L140 PolarHBondContact O-N 3.03Å; L140-R142 PolarHBondContact O-N 3.25Å; L140-R143 PolarHBondContact O-N 3.04Å; L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.23Å; L140-L144 PolarHBondContact O-N 3.45Å
141K96.5Very high90.6Very high119 Ų119107.8 Ų107.852%0.51751%0.509SS..Hα-helixtrans-58.1-47173.9-79.9172.8175172.70112.1Q137 F139 L144 E145Q137-K141 HydrophobicContact CG-CD 4.24Å; Q137-K141 WeakPolarHBondContact O-CB 3.33Å; Q137-K141 VanDerWaalsContact O-CG 3.24Å; Q137-K141 WeakPolarHBondContact O-CG 3.24Å; Q137-K141 PolarHBondContact O-N 2.98Å; F139-K141 VanDerWaalsContact C-N 3.34Å; F139-K141 PolarHBondContact O-N 3.49Å; K141-L144 PolarHBondContact O-N 2.93Å; K141-E145 PolarHBondContact O-N 3.28Å
142R96.2Very high88.4Confident135 Ų135110 Ų11051%0.50952%0.519SS..Hα-helixtrans-63.7-40.2175.6-71.8-172.3-62.7-106.60.9112.1R138 F139 L140 L144 E145 Q146R138-R142 PolarHBondContact O-N 3.28Å; F139-R142 PolarHBondContact O-N 3.11Å; L140-R142 PolarHBondContact O-N 3.25Å; R142-L144 VanDerWaalsContact C-N 3.33Å; R142-E145 PolarHBondContact O-N 3.23Å; R142-Q146 WeakPolarHBondContact O-CG 3.48Å; R142-Q146 PolarHBondContact O-N 3.22Å
143R95.7Very high86.1Confident131 Ų131115 Ų11549%0.49454%0.542SS..Hα-helixtrans-64.4-40.4177.8-175.557172-179.1-1.7111.6F139 L140 Q146 L147F139-R143 PolarHBondContact O-N 2.74Å; L140-R143 PolarHBondContact O-N 3.04Å; R143-Q146 PolarHBondContact O-N 3.29Å; R143-L147 HydrophobicContact CG-CD1 4.24Å; R143-L147 VanDerWaalsContact O-CG 3.32Å; R143-L147 WeakPolarHBondContact O-CG 3.35Å; R143-L147 PolarHBondContact O-N 2.92Å
144L95.3Very high83.8Confident92 Ų92117.9 Ų117.948%0.48255%0.553SS.*Hα-helixtrans-66.9-41.3177-175.5145.2000111.2L140 K141 R142 Q146 L147 Q148L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.23Å; L140-L144 PolarHBondContact O-N 3.45Å; K141-L144 PolarHBondContact O-N 2.93Å; R142-L144 VanDerWaalsContact C-N 3.33Å; L144-Q146 VanDerWaalsContact C-N 3.35Å; L144-Q146 PolarHBondContact O-N 2.98Å; L144-L147 PolarHBondContact O-N 3.25Å; L144-Q148 HydrophobicContact CD2-CG 4.09Å; L144-Q148 HydrophobicContact CG-CG 4.36Å; L144-Q148 VanDerWaalsContact O-CB 3.29Å; L144-Q148 WeakPolarHBondContact O-CB 3.41Å; L144-Q148 WeakPolarHBondContact O-CG 3.31Å; L144-Q148 PolarHBondContact O-N 3.13Å
145E93.7Very high81.7Confident141 Ų141121 Ų12166%0.65956%0.561SS**Hα-helixtrans-59.8-41.8172.9-175.4178.6-17400112.4K141 R142 L147 Q148 G149K141-E145 PolarHBondContact O-N 3.28Å; R142-E145 PolarHBondContact O-N 3.23Å; E145-L147 PolarHBondContact O-N 3.24Å; E145-Q148 PolarHBondContact O-N 3.44Å; E145-G149 PolarHBondContact O-N 3.27Å
146Q91.8Very high79.6Confident130 Ų130122.5 Ų122.561%0.60758%0.576SS**Hα-helixtrans-63-40.3174.8-71.6171.9-3.800112.6R142 R143 L144 G149R142-Q146 WeakPolarHBondContact O-CG 3.48Å; R142-Q146 PolarHBondContact O-N 3.22Å; R143-Q146 PolarHBondContact O-N 3.29Å; L144-Q146 VanDerWaalsContact C-N 3.35Å; L144-Q146 PolarHBondContact O-N 2.98Å; Q146-G149 PolarHBondContact O-N 3.44Å
147L90.8Very high77.2Confident126 Ų126127.9 Ų127.966%0.6659%0.592SS**Hα-helixtrans-77-29179.6-68.1172.6000112.8R143 L144 E145 G149R143-L147 HydrophobicContact CG-CD1 4.24Å; R143-L147 VanDerWaalsContact O-CG 3.32Å; R143-L147 WeakPolarHBondContact O-CG 3.35Å; R143-L147 PolarHBondContact O-N 2.92Å; L144-L147 PolarHBondContact O-N 3.25Å; E145-L147 PolarHBondContact O-N 3.24Å; L147-G149 VanDerWaalsContact C-N 3.29Å
148Q81.4Confident75Confident109 Ų109131.8 Ų131.851%0.50961%0.613SS.*SBendtrans-84.80.4173.7-71.2-175.1-20.800113.3L144 E145L144-Q148 HydrophobicContact CD2-CG 4.09Å; L144-Q148 HydrophobicContact CG-CG 4.36Å; L144-Q148 VanDerWaalsContact O-CB 3.29Å; L144-Q148 WeakPolarHBondContact O-CB 3.41Å; L144-Q148 WeakPolarHBondContact O-CG 3.31Å; L144-Q148 PolarHBondContact O-N 3.13Å; E145-Q148 PolarHBondContact O-N 3.44Å
149G63.8Low72.7Confident33 Ų33131.8 Ų131.834%0.3462%0.622SS.*THydrogen-bonded Turntrans-49160.7167.800000112E145 Q146 L147 Q151E145-G149 PolarHBondContact O-N 3.27Å; Q146-G149 PolarHBondContact O-N 3.44Å; L147-G149 VanDerWaalsContact C-N 3.29Å; G149-Q151 PolarHBondContact O-N 3.38Å
150P59.3Low70.8Confident100 Ų100131.3 Ų131.365%0.64963%0.634SS**THydrogen-bonded Turn-57.531.6-118.728.1-36.7000118.4
151Q55.4Low68.8Low124 Ų124134.7 Ų134.758%0.57965%0.651SS**THydrogen-bonded Turntrans-82.8-16.8-176.3-145.9-177.458.100113.8G149G149-Q151 PolarHBondContact O-N 3.38Å
152E51.8Low66.9Low135 Ų135132.1 Ų132.163%0.63166%0.658SS**THydrogen-bonded Turntrans-88.5-18.5172-85.4-170.315800113.7
153M50.6Low64.5Low169 Ų169131.4 Ų131.483%0.83367%0.674SS**THydrogen-bonded Turntrans-79.6-19.9176.3-65.5177.7-177.500112.6
154E50.6Low62.6Low164 Ų164131.8 Ų131.877%0.76669%0.691SS**SBendtrans-91.3-5.3-179.5-82.3-173.3152.700115.2
155R52.9Low60.2Low161 Ų161135.1 Ų135.161%0.60871%0.708SS**SBendtrans-90.2-4-178.1-66-172.5-175.61204.4114.8R157R155-R157 PolarHBondContact O-N 3.47Å
156I54.1Low58.4Low150 Ų150133.4 Ų133.477%0.76971%0.711SS**SBendtrans-99.862.8173.3-44.4178.9000110
157R48.7Very low56.3Low218 Ų218133.1 Ų133.182%0.82372%0.723SS**  trans177.987.6145.6-97162.7-165.8-167.74.5108.4R155 D159R155-R157 PolarHBondContact O-N 3.47Å; R157-D159 PolarHBondContact O-N 3.05Å
158M52.9Low54.4Low186 Ų186132.6 Ų132.692%0.91672%0.721SS**  trans-80.188.6176-174.4166.764.700108.5
159D48.7Very low53.3Low131 Ų131137.7 Ų137.770%0.70174%0.736SS**  trans-142.8100.2163.319.8-34.3000108.4R157R157-D159 PolarHBondContact O-N 3.05Å
160S58.8Low52.6Low112 Ų112141.7 Ų141.778%0.78376%0.759SS**  trans-1132.2145.5-132.60000113.6
161I56.8Low52.4Low163 Ų163144.5 Ų144.584%0.83677%0.768SS**  -168.1141.151.1-38.1178.5000107.1
162G56.4Low52.2Low65 Ų65143.2 Ų143.267%0.6777%0.773SS**  trans97.3107146.200000118.5
163S44Very low51.8Low120 Ų120144.6 Ų144.684%0.83978%0.779SS**  167.9127.9106.3-75.50000111.4
164T56.7Low51.9Low139 Ų139146.7 Ų146.785%0.85378%0.778SS**  trans-76.3125.4160.754.50000108.8
165I45.6Very low51.9Low162 Ų162147.1 Ų147.183%0.83178%0.78SS**  trans-170.6140140.9-169.6151.6000111.1
166S54.4Low51.9Low104 Ų104146.6 Ų146.673%0.72779%0.785SS**  trans-46.3154178.555.80000117.8
167S48.1Very low52.3Low124 Ų124146.2 Ų146.287%0.86778%0.783SS**  -149.4129.7119.2-156.30000112.2
168D52.2Low52.3Low116 Ų116144.5 Ų144.562%0.6278%0.784SS**  trans-67.7150.4168.8-17424.1000110
169R57.5Low52.8Low216 Ų216141.1 Ų141.182%0.81577%0.773SS**  trans68.3111.5165-39.9-165.7167.9-130-10118.9
170S48.4Very low53.1Low117 Ų117141.7 Ų141.782%0.81878%0.777SS**  trans-137.5100.7133.9-158.80000107.9S172S170-S172 PolarHBondContact O-N 3.46Å
171D55.5Low52.9Low159 Ų159142.2 Ų142.285%0.8578%0.775SS**  trans-63.1110.3164.3-172.917.7000107
172S50.9Low53.2Low96 Ų96142 Ų14267%0.67177%0.77SS**  trans-122.388.6170.6-163.20000105.9S170 R174S170-S172 PolarHBondContact O-N 3.46Å; S172-R174 PolarHBondContact O-N 3.26Å
173E44.4Very low52.9Low165 Ų165143.5 Ų143.577%0.77177%0.77SS**  trans-3.2105.2151.953.1-162.8162.400113.9E175E173-E175 PolarHBondContact O-N 3.11Å; E173-E175 VanDerWaalsContact O-N 3.08Å
174R51.9Low53.3Low212 Ų212144.7 Ų144.780%0.877%0.773SS**  trans-71.593.6170.2-166.5179-156.8-94.70.1106.7S172 E176S172-R174 PolarHBondContact O-N 3.26Å; R174-E176 PolarHBondContact O-N 2.92Å
175E51.8Low53Low173 Ų173145.9 Ų145.981%0.80877%0.769SS**  trans-62.7105.9161.9-81.5-172160.300107.6E173 I177E173-E175 PolarHBondContact O-N 3.11Å; E173-E175 VanDerWaalsContact O-N 3.08Å; E175-I177 PolarHBondContact O-N 3.4Å; E175-I177 VanDerWaalsContact O-N 3.07Å
176E53Low53Low151 Ų151147.6 Ų147.671%0.70677%0.77SS**  trans-68.798.9169.7-62.8-174.9163.700107.5R174 E178R174-E176 PolarHBondContact O-N 2.92Å; E176-E178 PolarHBondContact O-N 3.07Å; E176-E178 VanDerWaalsContact O-N 3.09Å
177I62.6Low52.5Low142 Ų142147.2 Ų147.273%0.72877%0.768SS**  trans-72.4101.6166.9-61.7162.7000105.9E175 V179E175-I177 PolarHBondContact O-N 3.4Å; E175-I177 VanDerWaalsContact O-N 3.07Å; I177-V179 PolarHBondContact O-N 3.48Å
178E48.1Very low52.4Low182 Ų182150.1 Ų150.185%0.8577%0.767SS**  trans-58100.1166.6-67.9179.1176.600108.1E176 D180E176-E178 PolarHBondContact O-N 3.07Å; E176-E178 VanDerWaalsContact O-N 3.09Å; E178-D180 PolarHBondContact O-N 3.02Å
179V63.1Low51.9Low115 Ų115147.7 Ų147.770%0.69777%0.77SS**  trans-77.2102.8167.5-79.10000107.3I177 V181I177-V179 PolarHBondContact O-N 3.48Å; V179-V181 PolarHBondContact O-N 3.23Å
180D55.3Low51.4Low143 Ų143146.2 Ų146.277%0.76577%0.772SS**  trans-64.6103.7167-17321.1000108.5E178 E182E178-D180 PolarHBondContact O-N 3.02Å; D180-E182 VanDerWaalsContact C-N 3.3Å; D180-E182 PolarHBondContact O-N 2.84Å
181V54.4Low51.6Low123 Ų123147 Ų14775%0.74577%0.771SS**  trans-90.573.6172.9-172.90000106.8V179 S183V179-V181 PolarHBondContact O-N 3.23Å; V181-S183 VanDerWaalsContact C-N 3.34Å; V181-S183 PolarHBondContact O-N 3.23Å
182E62.5Low51.1Low159 Ų159146.2 Ų146.274%0.74377%0.768SS**  trans-72.995.2166.4-167.2176.9-171.300108.6D180D180-E182 VanDerWaalsContact C-N 3.3Å; D180-E182 PolarHBondContact O-N 2.84Å
183S49.7Very low51.1Low96 Ų96148.5 Ų148.567%0.67177%0.772SS**  trans35.988.5143.3-56.70000117.4V181 E185V181-S183 VanDerWaalsContact C-N 3.34Å; V181-S183 PolarHBondContact O-N 3.23Å; S183-E185 VanDerWaalsContact C-N 3.25Å; S183-E185 PolarHBondContact O-N 2.79Å
184T53.8Low51.2Low145 Ų145148.2 Ų148.289%0.8977%0.774SS**  trans-91.764.7147.851.20000109.6F186T184-F186 VanDerWaalsContact C-N 3.33Å; T184-F186 PolarHBondContact O-N 2.92Å; T184-F186 VanDerWaalsContact O-N 3.13Å
185E49.8Very low51.1Low164 Ų164143.4 Ų143.477%0.76677%0.773SS**  trans-75.591.5160179.3-175.6152.500107.7S183S183-E185 VanDerWaalsContact C-N 3.25Å; S183-E185 PolarHBondContact O-N 2.79Å
186F45.3Very low51Low197 Ų197141.2 Ų141.286%0.86477%0.772SS**  trans-125.269.9155.7-150.1-93.3000107.9T184 H188T184-F186 VanDerWaalsContact C-N 3.33Å; T184-F186 PolarHBondContact O-N 2.92Å; T184-F186 VanDerWaalsContact O-N 3.13Å; F186-H188 PolarHBondContact O-N 2.81Å; F186-H188 VanDerWaalsContact O-N 3.16Å
187S44.5Very low50.7Low96 Ų96140.3 Ų140.367%0.67178%0.777SS**  trans-74.2101.1164.953.40000108.6G189S187-G189 PolarHBondContact O-N 2.83Å
188H45.9Very low50.2Low185 Ų185138.7 Ų138.786%0.85678%0.778SS**  trans-63.8108.7155.2-175.165000108.3F186F186-H188 PolarHBondContact O-N 2.81Å; F186-H188 VanDerWaalsContact O-N 3.16Å
189G40.6Very low50.2Low66 Ų66138.4 Ų138.468%0.6878%0.78SS**  trans-174.1114178.500000111.7S187S187-G189 PolarHBondContact O-N 2.83Å
190E47.8Very low49.8Very low185 Ų185138 Ų13886%0.86478%0.783SS**  trans-47.4160.1-179.9-148.7177.5-169.800116.5
191V51.9Low50Low132 Ų132138.2 Ų138.280%0.878%0.784SS**  trans105.2144.5157.3-48.40000120.9
192D46.4Very low50.1Low144 Ų144140 Ų14077%0.7779%0.788SS**  trans-72.9158.5-161.9-62.3-60000117.8
193N50.6Low49.8Very low144 Ų144138.5 Ų138.577%0.7779%0.785SS**  trans65.5130.6158.6-55.3-2.1000115.8
194I46.5Very low50.1Low158 Ų158140.9 Ų140.981%0.8179%0.79SS**  -168.814667.3-52117.3000108.1
195S48.8Very low50.6Low112 Ų112141.5 Ų141.578%0.78378%0.783SS**  trans-69.7128.2168.4-51.20000112.9
196T50.3Low50.8Low126 Ų126139.8 Ų139.877%0.77379%0.788SS**  trans179131.1157.548.70000105.4
197T47.1Very low51.4Low133 Ų133135.8 Ų135.882%0.81679%0.785SS**  cis-163.1148.53639.70000109.9
198S52.7Low52Low108 Ų108139.5 Ų139.576%0.75580%0.796SS**  trans-53.2147.3167.7-53.70000115
199I47Very low52.2Low175 Ų175139.3 Ų139.390%0.89780%0.796SS**  trans-135.5123.4148.639.1173000107.8
200S54.4Low52.7Low107 Ų107142.2 Ų142.275%0.74881%0.806SS**  trans-102.5151.1-176.7-55.30000111.1
201D59.8Low52.9Low147 Ų147141.4 Ų141.479%0.78681%0.806SS**  trans74.5117.8140.1-125.83.9000121.2
202I56Low52.5Low162 Ų162138.4 Ų138.483%0.83180%0.802SS**  trans-154.7127.1146.5-159.676.7000109.4
203D57.6Low52.9Low127 Ų127137.3 Ų137.368%0.67981%0.805SS**  trans-59.3155178.8-68.8-71.3000114.1
204D54.9Low53.2Low146 Ų146137.4 Ų137.478%0.78181%0.806SS**  174.7152.2103.3-152.61.7000112.4
205H64.1Low54.1Low158 Ų158138.7 Ų138.773%0.73181%0.808SS**  trans-74.4140.5-163.8-56.9-77.6000115.5
206S55Low54.5Low127 Ų127136.4 Ų136.489%0.88880%0.802SS**  trans-158.6101.5141.9-113.80000112.5
207S58.4Low54.8Low113 Ų113141.5 Ų141.579%0.7981%0.809SS**  trans-88.4124.3164.1-57.10000108.6
208L55.9Low55.4Low174 Ų174141 Ų14191%0.91181%0.81SS**  trans-142132.2147-78-176.5000110.9
209Q51Low55.5Low181 Ų181141 Ų14185%0.84681%0.81SS**  trans-56.3142.5174.5-70.1156.4-28.100111.6
210S49.6Very low55.7Low127 Ų127137.4 Ų137.489%0.88881%0.807SS**  trans-139.5120.9147.7-85.70000110.8
211I52.1Low55.7Low169 Ų169137.4 Ų137.487%0.86781%0.807SS**  trans-86.7147.1172.746.1162.4000109.3
212G43.9Very low55.6Low69 Ų69136.5 Ų136.571%0.71181%0.806SS**  trans101.3136.3171.600000112.9
213S54.3Low55.7Low120 Ų120138 Ų13884%0.83981%0.807SS**  cis-159153.19.2-71.20000109.5
214D58.6Low55.7Low147 Ų147139.1 Ų139.179%0.78681%0.812SS**  trans-50.9126.2166.7166.135.5000112.6
215E64.6Low55.8Low185 Ų185137.3 Ų137.386%0.86481%0.811SS**  trans-145.488.2162-154.788.3-140.300109.9
216G56.9Low55.3Low63 Ų63139.2 Ų139.265%0.64982%0.817SS**  trans58.187.2130.700000119.4
217Y56.3Low55.2Low233 Ų233139.2 Ų139.291%0.91481%0.812SS**  trans-104.9101.8151.1-90.7-90.7000110.5
218S59.9Low54.8Low122 Ų122143.4 Ų143.485%0.85384%0.842SS**  trans-102.2116.3157.7-106.70000108.9
219S55.4Low54.7Low108 Ų108141.9 Ų141.976%0.75584%0.838SS**  trans-14896.7158.3-85.20000109S221S219-S221 PolarHBondContact O-N 3.46Å
220A52Low54.9Low100 Ų100139.8 Ų139.883%0.82684%0.838SS**  trans-62.7114.7170.100000109.4
221S53.7Low55.2Low108 Ų108140.5 Ų140.576%0.75584%0.835SS**  trans-92.3101.2167.9-59.70000108.4S219 K223S219-S221 PolarHBondContact O-N 3.46Å; S221-K223 PolarHBondContact O-N 3.09Å
222V56.6Low55.4Low127 Ų127138.8 Ų138.877%0.7783%0.833SS**  trans-74.9105.7169-173.50000107.6L224V222-L224 PolarHBondContact O-N 3.27Å
223K58.4Low56.1Low194 Ų194143.2 Ų143.284%0.84384%0.841SS**  trans-73.2107.3168.7-76.8179.4176.41760108.6S221 S225S221-K223 PolarHBondContact O-N 3.09Å; K223-S225 PolarHBondContact O-N 2.75Å
224L58.3Low56.3Low151 Ų151144.7 Ų144.779%0.79184%0.841SS**  trans-79.2103.2160.8-73.8169.2000107.9V222V222-L224 PolarHBondContact O-N 3.27Å
225S56.3Low56.1Low108 Ų108144.6 Ų144.676%0.75585%0.845SS**  trans-84.1108.8164.548.70000108.8K223K223-S225 PolarHBondContact O-N 2.75Å
226F53.7Low55.4Low197 Ų197141.5 Ų141.586%0.86484%0.843SS**  trans-93.7116.9156.7-97.8-88.1000107.6
227T52.9Low55.3Low127 Ų127148 Ų14878%0.77986%0.859SS**  trans-137.8116.9160.759.80000108.5
228S50.3Low55.2Low201 Ų201140.3 Ų140.3100%1.40685%0.854SS**  trans41.50161.6-60.10000120.5

Retrieved 228 of 228 residues in 80.4 ms (Link to these results)

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