A0A096MJX5_RAT Loading...

Similar to human chromosome 9 open reading frame 78

AlphaFold DB (Q3TQI7), UniProt , Accession A0A096MJX5, Species RAT (Rattus norvegicus, Rat), Gene C3h9orf78, Length 289 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
1M40Very low58.2Low241 Ų241191.4 Ų191.4100%1.18789%0.887SS**  0128.60-105.4-178.4177.400109
2R43.5Very low58.3Low239 Ų239194.3 Ų194.390%0.90288%0.884SS**  trans61.999165.4-61.7-172.8-179.3-179.10.9119.7
3I49.4Very low58Low168 Ų168187.4 Ų187.486%0.86288%0.882SS**  trans-74.6130.3155.1-61.2161.2000107.9
4T65.5Low57.7Low132 Ų132184.1 Ų184.181%0.8187%0.873SS**  trans-118108.8162.951.70000108.3
5G58Low57.2Low67 Ų67179.1 Ų179.169%0.69187%0.866SS**  trans-67137.9-175.400000113T7G5-T7 PolarHBondContact O-N 3.49Å
6K68.8Low57Low189 Ų189178.1 Ų178.182%0.82286%0.86SS**  trans-74.5112.7168.9-69.8173.2179.8176.90108.4F8K6-F8 PolarHBondContact O-N 2.84Å
7T62.3Low56.6Low141 Ų141170.9 Ų170.987%0.86583%0.832SS**  trans-66.3104.3170.542.90000110G5 R9G5-T7 PolarHBondContact O-N 3.49Å; T7-R9 PolarHBondContact O-N 3.21Å
8F62.5Low56.7Low190 Ų190170.6 Ų170.683%0.83383%0.828SS**  trans-76.7115.3165-76.4-83.1000109K6 R10K6-F8 PolarHBondContact O-N 2.84Å; F8-R10 PolarHBondContact O-N 2.74Å
9R68.2Low56.9Low250 Ų250169.6 Ų169.694%0.94382%0.822SS**  trans-64.1100.7171.3-138.5179.2-161.5169.83.3107.6T7 R11T7-R9 PolarHBondContact O-N 3.21Å; R9-R11 PolarHBondContact O-N 3.12Å
10R64.3Low57.2Low243 Ų243165.1 Ų165.192%0.91780%0.802SS**PPolyproline II helixtrans-63.6119.3169.6-104.1-179.5163.6156.2-4.7108.2F8F8-R10 PolarHBondContact O-N 2.74Å
11R57.4Low57.8Low245 Ų245162.6 Ų162.693%0.92579%0.789SS**PPolyproline II helixtrans-61.7136.8166.6-77.5-177.6-1661463.3108.5R9R9-R11 PolarHBondContact O-N 3.12Å
12R60.3Low59.4Low227 Ų227157.7 Ų157.786%0.85776%0.764SS**PPolyproline II helixtrans-65.2137165.7-72.7-173.2176.2-174.3-1.3107.8D14R12-D14 PolarHBondContact O-N 2.95Å
13A53.8Low61Low104 Ų104152.3 Ų152.386%0.8675%0.748SS**  trans-74.199.6161.500000105.6
14D53.6Low62.6Low141 Ų141146.8 Ų146.875%0.75473%0.725SS**  trans-73.4138.8163.1-91.3-34.9000107.9R12 E16R12-D14 PolarHBondContact O-N 2.95Å; D14-E16 PolarHBondContact O-N 3.09Å
15S50.3Low63.6Low109 Ų109145 Ų14576%0.76271%0.707SS**  trans-60.2117.8-177.8-177.40000109.5S17S15-S17 PolarHBondContact O-N 2.98Å
16E54Low65Low164 Ų164146.8 Ų146.877%0.76670%0.698SS**  trans-50.2100.3169.7-84160.9158.900109.4D14D14-E16 PolarHBondContact O-N 3.09Å
17S50Low66Low55 Ų55141.2 Ų141.239%0.38568%0.679SS.*  trans-81.9139.9156.2-178.30000106.5S15 E19 D20S15-S17 PolarHBondContact O-N 2.98Å; S17-E19 PolarHBondContact O-N 3.25Å; S17-D20 PolarHBondContact N-OD2 2.97Å; S17-D20 WeakPolarHBondContact O-CB 3.22Å; S17-D20 PolarHBondContact O-N 3.33Å
18E59.7Low67.3Low165 Ų165141.6 Ų141.677%0.77167%0.665SS**Hα-helixtrans-56.4-16.7176.9-66.7-178.3167.200112.8
19E59.8Low68.7Low152 Ų152137.2 Ų137.271%0.7165%0.65SS**Hα-helixtrans-69.8-32171.5-64.5-178.4167.200113S17 Q22 E23S17-E19 PolarHBondContact O-N 3.25Å; E19-Q22 PolarHBondContact O-N 3.35Å; E19-E23 PolarHBondContact O-N 3.12Å
20D62.1Low69.9Low79 Ų79130.6 Ų130.642%0.42263%0.628SS.*Hα-helixtrans-71.5-31.9179.2-65.7-48.3000111.9S17 S24S17-D20 PolarHBondContact N-OD2 2.97Å; S17-D20 WeakPolarHBondContact O-CB 3.22Å; S17-D20 PolarHBondContact O-N 3.33Å; D20-S24 VanDerWaalsContact O-CB 3.29Å; D20-S24 WeakPolarHBondContact O-CB 3.27Å; D20-S24 PolarHBondContact O-N 3.49Å
21E70.2Confident71.3Confident113 Ų113124.4 Ų124.453%0.52861%0.612SS.*Hα-helixtrans-66.3-42.1176.6-74.5-169.2169.600111.2S24 E25E21-S24 PolarHBondContact O-N 2.94Å; E21-S24 PolarHBondContact O-OG 2.8Å; E21-E25 PolarHBondContact O-N 3.37Å
22Q74.1Confident73Confident139 Ų139118.4 Ų118.465%0.6560%0.595SS**Hα-helixtrans-65.2-43.7176.7-66.4-177.74.400111.5E19 S24 E25 E26E19-Q22 PolarHBondContact O-N 3.35Å; Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.12Å; Q22-E25 PolarHBondContact O-N 3.26Å; Q22-E26 PolarHBondContact O-N 3.48Å
23E77.7Confident74.5Confident125 Ų125113.4 Ų113.458%0.58458%0.581SS**Hα-helixtrans-63.1-35.4175-167.5173.1-172.600111.2E19 E26 V27E19-E23 PolarHBondContact O-N 3.12Å; E23-E26 PolarHBondContact O-N 3.03Å; E23-V27 WeakPolarHBondContact O-CB 3.45Å; E23-V27 WeakPolarHBondContact O-CG2 3.15Å; E23-V27 PolarHBondContact O-N 3.46Å
24S83Confident76.4Confident52 Ų52111.8 Ų111.836%0.36456%0.561SS.*Hα-helixtrans-67-39.4177.882.30000113.4D20 E21 Q22 V27 R28D20-S24 VanDerWaalsContact O-CB 3.29Å; D20-S24 WeakPolarHBondContact O-CB 3.27Å; D20-S24 PolarHBondContact O-N 3.49Å; E21-S24 PolarHBondContact O-N 2.94Å; E21-S24 PolarHBondContact O-OG 2.8Å; Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.12Å; S24-V27 PolarHBondContact O-N 3.47Å; S24-R28 WeakPolarHBondContact O-CG 3.32Å; S24-R28 PolarHBondContact O-N 3.31Å
25E85.8Confident78.3Confident94 Ų94113.4 Ų113.444%0.43956%0.556SS.*Hα-helixtrans-71-40.5176-72.3-63.5132.500111E21 Q22 V27 R28 L29E21-E25 PolarHBondContact O-N 3.37Å; Q22-E25 PolarHBondContact O-N 3.26Å; E25-V27 VanDerWaalsContact C-N 3.32Å; E25-V27 PolarHBondContact O-N 2.87Å; E25-R28 PolarHBondContact O-N 3.41Å; E25-R28 IonicContact OE1-CZ 2.87Å; E25-R28 IonicContact OE1-NH1 3.57Å; E25-R28 PolarHBondContact OE1-NH1 2.86Å; E25-L29 WeakPolarHBondContact O-CG 3.36Å; E25-L29 PolarHBondContact O-N 3.27Å
26E86.7Confident80.3Confident106 Ų106114.3 Ų114.350%0.49555%0.548SS..Hα-helixtrans-60.1-40.5172.1-76.8-166.8-163.600112.9Q22 E23 K30Q22-E26 PolarHBondContact O-N 3.48Å; E23-E26 PolarHBondContact O-N 3.03Å; E26-K30 WeakPolarHBondContact O-CB 3.38Å; E26-K30 VanDerWaalsContact O-CG 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.14Å; E26-K30 PolarHBondContact O-N 3.19Å; E26-K30 IonicContact OE2-NZ 3.5Å; E26-K30 PolarHBondContact OE2-NZ 2.84Å
27V90Very high82.1Confident72 Ų72109.9 Ų109.944%0.43653%0.532SS..Hα-helixtrans-68-37.9177.6169.60000111.1E23 S24 E25 L31E23-V27 WeakPolarHBondContact O-CB 3.45Å; E23-V27 WeakPolarHBondContact O-CG2 3.15Å; E23-V27 PolarHBondContact O-N 3.46Å; S24-V27 PolarHBondContact O-N 3.47Å; E25-V27 VanDerWaalsContact C-N 3.32Å; E25-V27 PolarHBondContact O-N 2.87Å; V27-L31 HydrophobicContact CG1-CD1 4.38Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 3.39Å
28R90.8Very high84Confident148 Ų148113 Ų11356%0.55854%0.541SS*.Hα-helixtrans-63.5-47.2173.7-78.6176.5173.8170.9-0.4111.7S24 E25 K30 L31 E32S24-R28 WeakPolarHBondContact O-CG 3.32Å; S24-R28 PolarHBondContact O-N 3.31Å; E25-R28 PolarHBondContact O-N 3.41Å; E25-R28 IonicContact OE1-CZ 2.87Å; E25-R28 IonicContact OE1-NH1 3.57Å; E25-R28 PolarHBondContact OE1-NH1 2.86Å; R28-K30 PolarHBondContact O-N 2.92Å; R28-L31 WeakPolarHBondContact O-CB 3.26Å; R28-L31 PolarHBondContact O-N 3.4Å; R28-L31 VanDerWaalsContact O-N 3.11Å; R28-E32 WeakPolarHBondContact O-CG 3.27Å; R28-E32 PolarHBondContact O-N 3.4Å
29L91.5Very high85.5Confident98 Ų98108.8 Ų108.851%0.51352%0.524SS..Hα-helixtrans-58.8-47.2176.9-71170.6000111.4E25 L31 E32 E33E25-L29 WeakPolarHBondContact O-CG 3.36Å; E25-L29 PolarHBondContact O-N 3.27Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.44Å; L29-E32 PolarHBondContact O-N 3.26Å; L29-E33 WeakPolarHBondContact O-CG 3.25Å; L29-E33 PolarHBondContact O-N 3.11Å
30K92.6Very high86.9Confident111 Ų111108.8 Ų108.848%0.48353%0.527SS..Hα-helixtrans-60.6-36.9175.1-72.6165.4-175.3151.10112.3E26 R28 T34E26-K30 WeakPolarHBondContact O-CB 3.38Å; E26-K30 VanDerWaalsContact O-CG 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.14Å; E26-K30 PolarHBondContact O-N 3.19Å; E26-K30 IonicContact OE2-NZ 3.5Å; E26-K30 PolarHBondContact OE2-NZ 2.84Å; R28-K30 PolarHBondContact O-N 2.92Å; K30-T34 WeakPolarHBondContact O-CG2 3.46Å; K30-T34 PolarHBondContact O-N 3.41Å; K30-T34 PolarHBondContact O-OG1 3.34Å; K30-T34 VanDerWaalsContact O-OG1 3.11Å
31L93.7Very high88.2Confident113 Ų113114.3 Ų114.359%0.59254%0.543SS*.Hα-helixtrans-68.2-39.9175.1-95.4166.4000112.5V27 R28 L29 T34 R35V27-L31 HydrophobicContact CG1-CD1 4.38Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 3.39Å; R28-L31 WeakPolarHBondContact O-CB 3.26Å; R28-L31 PolarHBondContact O-N 3.4Å; R28-L31 VanDerWaalsContact O-N 3.11Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.44Å; L31-T34 WeakPolarHBondContact CA-OG1 3.4Å; L31-T34 PolarHBondContact O-OG1 2.8Å; L31-R35 WeakPolarHBondContact O-CB 3.47Å; L31-R35 PolarHBondContact O-N 2.89Å
32E93.1Very high89Confident119 Ų119115.7 Ų115.756%0.55655%0.547SS*.Hα-helixtrans-66.1-47.1175.8-72.5-179175.500111.2R28 L29 T34 R35 E36R28-E32 WeakPolarHBondContact O-CG 3.27Å; R28-E32 PolarHBondContact O-N 3.4Å; L29-E32 PolarHBondContact O-N 3.26Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.18Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.01Å; E32-R35 VanDerWaalsContact O-N 3.09Å; E32-E36 WeakPolarHBondContact O-CG 3.27Å; E32-E36 PolarHBondContact O-N 2.9Å
33E92.8Very high89.5Confident123 Ų123119.6 Ų119.658%0.57556%0.555SS**Hα-helixtrans-55.6-46.2174-73.9178.417800111.8L29 R35 E36 V37L29-E33 WeakPolarHBondContact O-CG 3.25Å; L29-E33 PolarHBondContact O-N 3.11Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.86Å; E33-E36 PolarHBondContact O-N 3.37Å; E33-V37 WeakPolarHBondContact O-CG2 3.36Å; E33-V37 PolarHBondContact O-N 3.15Å
34T92.8Very high89.6Confident70 Ų70119.6 Ų119.643%0.42957%0.566SS.*Hα-helixtrans-66.7-33.9178.357.10000112.7K30 L31 E32 V37 Q38K30-T34 WeakPolarHBondContact O-CG2 3.46Å; K30-T34 PolarHBondContact O-N 3.41Å; K30-T34 PolarHBondContact O-OG1 3.34Å; K30-T34 VanDerWaalsContact O-OG1 3.11Å; L31-T34 WeakPolarHBondContact CA-OG1 3.4Å; L31-T34 PolarHBondContact O-OG1 2.8Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.18Å; T34-V37 PolarHBondContact O-N 3.34Å; T34-Q38 WeakPolarHBondContact O-CG 3.46Å; T34-Q38 PolarHBondContact O-N 3Å
35R93.5Very high89.4Confident174 Ų174123.7 Ų123.766%0.65758%0.584SS**Hα-helixtrans-68.9-37.8175.9-168.3178.5-176.7-176.2-0.5111.6L31 E32 E33 Q38 N39L31-R35 WeakPolarHBondContact O-CB 3.47Å; L31-R35 PolarHBondContact O-N 2.89Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.01Å; E32-R35 VanDerWaalsContact O-N 3.09Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.86Å; R35-Q38 PolarHBondContact O-N 3.42Å; R35-N39 PolarHBondContact O-N 3.43Å; R35-N39 PolarHBondContact O-ND2 3.48Å
36E91.8Very high89.1Confident129 Ų129122.1 Ų122.160%0.60359%0.593SS**Hα-helixtrans-64-45.5173.1-71.9-175174.500111.8E32 E33 Q38 N39 L40E32-E36 WeakPolarHBondContact O-CG 3.27Å; E32-E36 PolarHBondContact O-N 2.9Å; E33-E36 PolarHBondContact O-N 3.37Å; E36-Q38 VanDerWaalsContact C-N 3.29Å; E36-Q38 PolarHBondContact O-N 3.33Å; E36-N39 PolarHBondContact O-N 3.08Å; E36-N39 VanDerWaalsContact O-N 3.11Å; E36-L40 WeakPolarHBondContact O-CG 3.28Å; E36-L40 PolarHBondContact O-N 2.72Å
37V92Very high88.5Confident70 Ų70121.9 Ų121.942%0.42460%0.599SS.*Hα-helixtrans-60.3-38.6174.5174.10000111.6E33 T34 L40 R41E33-V37 WeakPolarHBondContact O-CG2 3.36Å; E33-V37 PolarHBondContact O-N 3.15Å; T34-V37 PolarHBondContact O-N 3.34Å; V37-L40 PolarHBondContact O-N 3.22Å; V37-R41 WeakPolarHBondContact O-CG 3.47Å; V37-R41 PolarHBondContact O-N 3.02Å
38Q91.1Very high87.9Confident120 Ų120120.3 Ų120.356%0.56159%0.591SS**Hα-helixtrans-66.1-40.4174.2-74.7178.925.800112.4T34 R35 E36 R41 K42T34-Q38 WeakPolarHBondContact O-CG 3.46Å; T34-Q38 PolarHBondContact O-N 3Å; R35-Q38 PolarHBondContact O-N 3.42Å; E36-Q38 VanDerWaalsContact C-N 3.29Å; E36-Q38 PolarHBondContact O-N 3.33Å; Q38-R41 PolarHBondContact O-N 3.37Å; Q38-K42 PolarHBondContact O-N 3.47Å
39N90.1Very high87.2Confident78 Ų78117.2 Ų117.242%0.41760%0.597SS.*Hα-helixtrans-64.7-39176.6-74.1-24.5000111.9R35 E36 R41 K42R35-N39 PolarHBondContact O-N 3.43Å; R35-N39 PolarHBondContact O-ND2 3.48Å; E36-N39 PolarHBondContact O-N 3.08Å; E36-N39 VanDerWaalsContact O-N 3.11Å; N39-R41 PolarHBondContact O-N 2.93Å; N39-K42 WeakPolarHBondContact O-CB 3.41Å; N39-K42 PolarHBondContact O-N 2.65Å; N39-K42 VanDerWaalsContact O-N 3.15Å; N39-K42 PolarHBondContact OD1-NZ 2.7Å
40L88.7Confident86.5Confident151 Ų151115.2 Ų115.279%0.79159%0.594SS**Hα-helixtrans-63.9-26.2173.7-71.3167.3000113.1E36 V37E36-L40 WeakPolarHBondContact O-CG 3.28Å; E36-L40 PolarHBondContact O-N 2.72Å; V37-L40 PolarHBondContact O-N 3.22Å
41R89.8Confident85.8Confident196 Ų196110.5 Ų110.574%0.7458%0.577SS**Hα-helixtrans-81.9-18.3175.2-70.6174.9-176.7-1702.4113.7V37 Q38 N39 R43V37-R41 WeakPolarHBondContact O-CG 3.47Å; V37-R41 PolarHBondContact O-N 3.02Å; Q38-R41 PolarHBondContact O-N 3.37Å; N39-R41 PolarHBondContact O-N 2.93Å; R41-R43 PolarHBondContact O-N 3.06Å
42K87.1Confident85Confident141 Ų141111.1 Ų111.161%0.61358%0.58SS**SBendtrans-65.7120.5177.8-71.9175.3-178.5164.70108.4Q38 N39Q38-K42 PolarHBondContact O-N 3.47Å; N39-K42 WeakPolarHBondContact O-CB 3.41Å; N39-K42 PolarHBondContact O-N 2.65Å; N39-K42 VanDerWaalsContact O-N 3.15Å; N39-K42 PolarHBondContact OD1-NZ 2.7Å
43R84.2Confident84.2Confident221 Ų221112.9 Ų112.983%0.83459%0.592SS**PPolyproline II helixtrans-67.1138.3173.4-58.2-179.578.8-172.33.7107.7R41 N45R41-R43 PolarHBondContact O-N 3.06Å; R43-N45 PolarHBondContact O-N 3.28Å
44P81.5Confident83.7Confident125 Ų125111.4 Ų111.481%0.81259%0.591SS**PPolyproline II helixtrans-60.4132.7171.625.7-32.6000108.8G46P44-G46 PolarHBondContact O-N 2.85Å
45N78.8Confident82.8Confident139 Ų139111.6 Ų111.674%0.74361%0.607SS**PPolyproline II helixtrans-61.1126170.3-71.41000107.6R43R43-N45 PolarHBondContact O-N 3.28Å
46G78Confident82Confident61 Ų61110.1 Ų110.163%0.62961%0.608SS**PPolyproline II helixtrans-71165.5174.400000111.2P44P44-G46 PolarHBondContact O-N 2.85Å
47V75.7Confident80.8Confident101 Ų101113.6 Ų113.661%0.61262%0.621SS**PPolyproline II helixtrans-73.8133.5170.3-172.60000108.3A51 L52V47-A51 HydrophobicContact CG1-CB 3.77Å; V47-L52 HydrophobicContact CB-CD2 4.17Å; V47-L52 HydrophobicContact CB-CG 4.12Å; V47-L52 HydrophobicContact CG1-CD2 3.95Å; V47-L52 HydrophobicContact CG1-CG 3.84Å
48S76.3Confident79.3Confident39 Ų39113.8 Ų113.827%0.27362%0.622SS.*PPolyproline II helixtrans-62.9146177.4860000110.6A50 A51 L52S48-A50 PolarHBondContact O-N 2.86Å; S48-A51 PolarHBondContact O-N 2.89Å; S48-A51 WeakPolarHBondContact OG-CB 3.38Å; S48-A51 PolarHBondContact OG-N 2.81Å; S48-L52 PolarHBondContact O-N 3.34Å
49A76.7Confident78Confident83 Ų83115.5 Ų115.569%0.68663%0.63SS**Hα-helixtrans-58.1-31.5178.500000112.3L52 L53A49-L52 PolarHBondContact O-N 3.05Å; A49-L53 WeakPolarHBondContact O-CB 3.5Å; A49-L53 PolarHBondContact O-N 3.09Å
50A76.4Confident76.5Confident55 Ų55117.7 Ų117.746%0.45564%0.638SS.*Hα-helixtrans-68.4-42.6174.500000112.2S48 L52 L53 V54S48-A50 PolarHBondContact O-N 2.86Å; A50-L52 VanDerWaalsContact C-N 3.3Å; A50-L52 PolarHBondContact O-N 2.7Å; A50-L53 PolarHBondContact O-N 3.39Å; A50-V54 WeakPolarHBondContact O-CG2 3.29Å; A50-V54 PolarHBondContact O-N 2.8Å
51A76.9Confident74.8Confident13 Ų13117.9 Ų117.911%0.10764%0.635CS.*Hα-helixtrans-66.5-33.4175.300000111.9V47 S48 G55V47-A51 HydrophobicContact CG1-CB 3.77Å; S48-A51 PolarHBondContact O-N 2.89Å; S48-A51 WeakPolarHBondContact OG-CB 3.38Å; S48-A51 PolarHBondContact OG-N 2.81Å; A51-G55 PolarHBondContact O-N 3.5Å
52L77.5Confident72.8Confident126 Ų126114.3 Ų114.366%0.6663%0.634SS**Hα-helixtrans-66.8-38171.7-73.6174.6000112.7V47 S48 A49 A50V47-L52 HydrophobicContact CB-CD2 4.17Å; V47-L52 HydrophobicContact CB-CG 4.12Å; V47-L52 HydrophobicContact CG1-CD2 3.95Å; V47-L52 HydrophobicContact CG1-CG 3.84Å; S48-L52 PolarHBondContact O-N 3.34Å; A49-L52 PolarHBondContact O-N 3.05Å; A50-L52 VanDerWaalsContact C-N 3.3Å; A50-L52 PolarHBondContact O-N 2.7Å
53L77.5Confident71.1Confident155 Ų155113 Ų11381%0.81264%0.638SS**Hα-helixtrans-71.6-39.8179.1-173.369.3000112.4A49 A50A49-L53 WeakPolarHBondContact O-CB 3.5Å; A49-L53 PolarHBondContact O-N 3.09Å; A50-L53 PolarHBondContact O-N 3.39Å
54V82.1Confident69.8Low92 Ų92109 Ų10956%0.55863%0.633SS**Hα-helixtrans-84.6-25.7-176.3178.40000112.3A50 E56A50-V54 WeakPolarHBondContact O-CG2 3.29Å; A50-V54 PolarHBondContact O-N 2.8Å; V54-E56 HydrophobicContact CG1-CB 3.93Å; V54-E56 PolarHBondContact O-N 2.87Å
55G73.4Confident68.4Low74 Ų74107.6 Ų107.676%0.76362%0.622SS**SBendtrans74.26.6-174.700000114A51A51-G55 PolarHBondContact O-N 3.5Å
56E76.1Confident67.6Low143 Ų143105.7 Ų105.767%0.66861%0.612SS**SBendtrans-118.3147.7178.1-165.3173.6178.600110.4V54 V58V54-E56 HydrophobicContact CG1-CB 3.93Å; V54-E56 PolarHBondContact O-N 2.87Å; E56-V58 VanDerWaalsContact C-N 3.28Å; E56-V58 PolarHBondContact O-N 2.7Å
57K67Low67.3Low203 Ų203104.1 Ų104.188%0.88359%0.589SS**  trans-6987.3174.4-70.3-176.9-179178.50109.3Q59K57-Q59 PolarHBondContact O-N 3.35Å
58V61.2Low67.1Low74 Ų74101.7 Ų101.745%0.44858%0.575SS.*  trans-63.7118.5167.1-176.10000107.1E56 E60E56-V58 VanDerWaalsContact C-N 3.28Å; E56-V58 PolarHBondContact O-N 2.7Å; V58-E60 PolarHBondContact O-N 2.98Å
59Q62.4Low67.2Low155 Ų155105.4 Ų105.472%0.72459%0.587SS**  trans-53.9127.6170.7-78.2179.2-23.600108.1K57 E61K57-Q59 PolarHBondContact O-N 3.35Å; Q59-E61 PolarHBondContact O-N 2.74Å
60E59Low66.9Low124 Ų124104.4 Ų104.458%0.57957%0.568SS**SBendtrans-63.93.5179.8-70.7-176.4149.100113.6V58 T62V58-E60 PolarHBondContact O-N 2.98Å; E60-T62 PolarHBondContact O-N 2.88Å
61E53.1Low67Low156 Ų156109.7 Ų109.773%0.72959%0.585SS**THydrogen-bonded Turntrans-75.6107.6176.8-64.6-166.1167.300109.2Q59Q59-E61 PolarHBondContact O-N 2.74Å
62T48.9Very low66.9Low120 Ų120113.2 Ų113.274%0.73661%0.614SS**THydrogen-bonded Turntrans82.853.3-174.278.70000114.4E60 L64E60-T62 PolarHBondContact O-N 2.88Å; T62-L64 PolarHBondContact O-N 2.81Å
63T51.3Low66.7Low113 Ų113112 Ų11269%0.69361%0.612SS**  trans-59.192.7135.943.10000106.3V65T63-V65 PolarHBondContact O-N 3.37Å
64L55.3Low66.5Low138 Ų138107.1 Ų107.172%0.72360%0.599SS**  trans-41.592.3167.8-69.7148.1000106.5T62 D66T62-L64 PolarHBondContact O-N 2.81Å; L64-D66 PolarHBondContact O-N 3.49Å
65V53.8Low66.4Low96 Ų96105.4 Ų105.458%0.58260%0.6SS**  trans-63.592155.2-178.20000101.9T63 D67T63-V65 PolarHBondContact O-N 3.37Å; V65-D67 HydrophobicContact CG1-CB 3.66Å; V65-D67 PolarHBondContact O-N 2.93Å
66D61.6Low66.4Low99 Ų99110 Ų11053%0.52960%0.604SS.*  trans-74.563.6-178.9-142.432.2000106.4L64 P68 R85L64-D66 PolarHBondContact O-N 3.49Å; D66-P68 WeakPolarHBondContact O-CD 3.06Å; D66-R85 IonicContact OD1-CZ 2.65Å; D66-R85 IonicContact OD1-NH1 2.8Å; D66-R85 PolarHBondContact OD1-NH1 3.43Å; D66-R85 IonicContact OD1-NH2 3.97Å; D66-R85 IonicContact OD2-CZ 2.97Å; D66-R85 IonicContact OD2-NH1 2.7Å; D66-R85 PolarHBondContact OD2-NH1 3.06Å; D66-R85 IonicContact OD2-NH2 2.7Å; D66-R85 PolarHBondContact OD2-NH2 3.39Å
67D70.8Confident66.3Low27 Ų27105.3 Ų105.314%0.14459%0.585CS.*  trans-112.774-179-177.212.4000107.1V65 F69 Q70 M71 A72 T73V65-D67 HydrophobicContact CG1-CB 3.66Å; V65-D67 PolarHBondContact O-N 2.93Å; D67-F69 PolarHBondContact O-N 2.93Å; D67-Q70 VanDerWaalsContact CG-N 3.31Å; D67-Q70 PolarHBondContact O-N 3.1Å; D67-Q70 WeakPolarHBondContact OD1-CA 3.4Å; D67-Q70 PolarHBondContact OD1-N 3.02Å; D67-Q70 WeakPolarHBondContact OD2-CA 3.05Å; D67-M71 PolarHBondContact OD1-N 2.78Å; D67-M71 PolarHBondContact OD2-N 2.75Å; D67-A72 PolarHBondContact OD2-N 2.73Å; D67-T73 PolarHBondContact OD2-N 3.2Å
68P72.4Confident66.8Low50 Ų5099.7 Ų99.733%0.32556%0.564SS.*THydrogen-bonded Turntrans-57.5-21.1179.920.6-31.1000112.5D66 L82D66-P68 WeakPolarHBondContact O-CD 3.06Å; P68-L82 HydrophobicContact CB-CD1 3.67Å
69F77.8Confident67.5Low117 Ų117102.7 Ų102.751%0.51358%0.575SS.*THydrogen-bonded Turntrans-103.43.8-179.2-63.6-73.9000113.5D67 M71 V77 L82D67-F69 PolarHBondContact O-N 2.93Å; F69-M71 HydrophobicContact CB-CG 3.96Å; F69-M71 PolarHBondContact O-N 2.99Å; F69-M71 VanDerWaalsContact O-N 3.1Å; F69-V77 VanDerWaalsContact O-CG2 3.29Å; F69-V77 WeakPolarHBondContact O-CG2 3.34Å; F69-L82 HydrophobicContact CE1-CD2 3.73Å; F69-L82 HydrophobicContact CZ-CD1 4.47Å; F69-L82 HydrophobicContact CZ-CD2 3.88Å
70Q70.9Confident68.2Low62 Ų62104.1 Ų104.129%0.2958%0.579SS.*  trans48.233.5-176.2-62.9179.921.400113.5D67 A72 G74 G75 M76D67-Q70 VanDerWaalsContact CG-N 3.31Å; D67-Q70 PolarHBondContact O-N 3.1Å; D67-Q70 WeakPolarHBondContact OD1-CA 3.4Å; D67-Q70 PolarHBondContact OD1-N 3.02Å; D67-Q70 WeakPolarHBondContact OD2-CA 3.05Å; Q70-A72 VanDerWaalsContact C-N 3.33Å; Q70-A72 PolarHBondContact O-N 2.74Å; Q70-G74 VanDerWaalsContact O-CA 3.23Å; Q70-G74 WeakPolarHBondContact O-CA 3.39Å; Q70-G74 PolarHBondContact O-N 3.23Å; Q70-G75 PolarHBondContact OE1-O 3.24Å; Q70-M76 PolarHBondContact NE2-O 3.05Å; Q70-M76 VanDerWaalsContact OE1-N 3.12Å; Q70-M76 PolarHBondContact OE1-O 3.03Å
71M77.7Confident68.8Low167 Ų167105 Ų10582%0.82358%0.581SS**THydrogen-bonded Turntrans-63.4-33.3176.7-72.3-173.554.100113.8D67 F69D67-M71 PolarHBondContact OD1-N 2.78Å; D67-M71 PolarHBondContact OD2-N 2.75Å; F69-M71 HydrophobicContact CB-CG 3.96Å; F69-M71 PolarHBondContact O-N 2.99Å; F69-M71 VanDerWaalsContact O-N 3.1Å
72A74.5Confident69.5Low86 Ų86100.6 Ų100.671%0.71156%0.562SS**THydrogen-bonded Turntrans-96.3-41.2179.300000112.2D67 Q70D67-A72 PolarHBondContact OD2-N 2.73Å; Q70-A72 VanDerWaalsContact C-N 3.33Å; Q70-A72 PolarHBondContact O-N 2.74Å
73T73.9Confident70.6Confident101 Ų101103.5 Ų103.562%0.6257%0.565SS**THydrogen-bonded Turntrans-82.1-26.2-177.4-420000112.6D67D67-T73 PolarHBondContact OD2-N 3.2Å
74G74.3Confident71.3Confident53 Ų53105.2 Ų105.255%0.54657%0.565SS.*  trans69.1129.2-172.700000112.2Q70Q70-G74 VanDerWaalsContact O-CA 3.23Å; Q70-G74 WeakPolarHBondContact O-CA 3.39Å; Q70-G74 PolarHBondContact O-N 3.23Å
75G78.8Confident71.6Confident56 Ų56104.9 Ų104.958%0.57755%0.554SS**SBendtrans150.3-169.1172.400000113.3Q70Q70-G75 PolarHBondContact OE1-O 3.24Å
76M73.8Confident72Confident169 Ų169103.5 Ų103.583%0.83356%0.559SS**  trans-80.3120.3-175.3-165.684.8159.200110.8Q70 D78Q70-M76 PolarHBondContact NE2-O 3.05Å; Q70-M76 VanDerWaalsContact OE1-N 3.12Å; Q70-M76 PolarHBondContact OE1-O 3.03Å; M76-D78 PolarHBondContact O-N 3.18Å
77V74Confident72.1Confident45 Ų45107.4 Ų107.427%0.27357%0.571SS.*  trans-70.5118.4175.7177.70000110.8F69 M79F69-V77 VanDerWaalsContact O-CG2 3.29Å; F69-V77 WeakPolarHBondContact O-CG2 3.34Å; V77-M79 HydrophobicContact CG1-SD 4.03Å; V77-M79 PolarHBondContact O-N 3.22Å; V77-M79 VanDerWaalsContact O-N 3.09Å
78D77Confident71.5Confident85 Ų85112.9 Ų112.946%0.45560%0.6SS.*  trans-77.287.6172.3-92.1-18.5000110.7M76 K80 K81 L82M76-D78 PolarHBondContact O-N 3.18Å; D78-K80 PolarHBondContact O-N 3Å; D78-K81 HydrophobicContact CB-CB 4.35Å; D78-K81 HydrophobicContact CB-CD 3.98Å; D78-K81 HydrophobicContact CB-CG 4.21Å; D78-K81 PolarHBondContact O-N 3.46Å; D78-K81 VanDerWaalsContact O-N 3.08Å; D78-K81 WeakPolarHBondContact OD2-CE 3.24Å; D78-K81 IonicContact OD2-NZ 2.88Å; D78-K81 PolarHBondContact OD2-NZ 2.83Å; D78-L82 PolarHBondContact O-N 3.46Å
79M76.4Confident70.9Confident137 Ų137119.2 Ų119.268%0.67562%0.623SS**Hα-helixtrans-56.3-23-179.6-66.5-65.3-80.900114.3V77 L82V77-M79 HydrophobicContact CG1-SD 4.03Å; V77-M79 PolarHBondContact O-N 3.22Å; V77-M79 VanDerWaalsContact O-N 3.09Å; M79-L82 HydrophobicContact SD-CD2 4.47Å
80K77Confident69.9Low185 Ų185120 Ų12080%0.80464%0.637SS**Hα-helixtrans-69.8-43.4176.9-67.9-176.8179.8-179.80112.3D78 L82 K83D78-K80 PolarHBondContact O-N 3Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 2.95Å; K80-K83 PolarHBondContact O-N 2.97Å
81K70.9Confident69Low143 Ų143122.2 Ų122.262%0.62266%0.659SS**Hα-helixtrans-69.9-31-180-67.5176.5-179.6153.70112.1D78 K83D78-K81 HydrophobicContact CB-CB 4.35Å; D78-K81 HydrophobicContact CB-CD 3.98Å; D78-K81 HydrophobicContact CB-CG 4.21Å; D78-K81 PolarHBondContact O-N 3.46Å; D78-K81 VanDerWaalsContact O-N 3.08Å; D78-K81 WeakPolarHBondContact OD2-CE 3.24Å; D78-K81 IonicContact OD2-NZ 2.88Å; D78-K81 PolarHBondContact OD2-NZ 2.83Å; K81-K83 VanDerWaalsContact C-N 3.26Å; K81-K83 PolarHBondContact O-N 3.1Å
82L69.3Low67.9Low64 Ų64123.4 Ų123.434%0.33566%0.663SS.*Hα-helixtrans-63.9-31.3176.7-170.561.2000112.8P68 F69 D78 M79 K80P68-L82 HydrophobicContact CB-CD1 3.67Å; F69-L82 HydrophobicContact CE1-CD2 3.73Å; F69-L82 HydrophobicContact CZ-CD1 4.47Å; F69-L82 HydrophobicContact CZ-CD2 3.88Å; D78-L82 PolarHBondContact O-N 3.46Å; M79-L82 HydrophobicContact SD-CD2 4.47Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 2.95Å
83K70.9Confident66.8Low181 Ų181128.2 Ų128.279%0.78767%0.671SS**Hα-helixtrans-83.4-28.4-174.2-165.8173.8179.1-179.50113.9K80 K81K80-K83 PolarHBondContact O-N 2.97Å; K81-K83 VanDerWaalsContact C-N 3.26Å; K81-K83 PolarHBondContact O-N 3.1Å
84E65.9Low65.8Low148 Ų148131.5 Ų131.569%0.69268%0.679SS**Hα-helixtrans-74.1-35.9179.2-86.7176.6158.400112.8G86 K87E84-G86 PolarHBondContact O-N 2.83Å; E84-K87 PolarHBondContact O-N 2.99Å
85R62.5Low64.8Low132 Ų132135.6 Ų135.650%0.49869%0.688SS.*THydrogen-bonded Turntrans-64.3-13.3-174.7-148.9170.488.8168.315.9115D66D66-R85 IonicContact OD1-CZ 2.65Å; D66-R85 IonicContact OD1-NH1 2.8Å; D66-R85 PolarHBondContact OD1-NH1 3.43Å; D66-R85 IonicContact OD1-NH2 3.97Å; D66-R85 IonicContact OD2-CZ 2.97Å; D66-R85 IonicContact OD2-NH1 2.7Å; D66-R85 PolarHBondContact OD2-NH1 3.06Å; D66-R85 IonicContact OD2-NH2 2.7Å; D66-R85 PolarHBondContact OD2-NH2 3.39Å
86G62.7Low63.8Low66 Ų66141 Ų14168%0.6870%0.703SS**THydrogen-bonded Turntrans-82.1-11.3-179.800000115.5E84E84-G86 PolarHBondContact O-N 2.83Å
87K62.2Low62.9Low182 Ų182139.3 Ų139.379%0.79169%0.693SS**SBendtrans-100.1-21.3-173.1-90.2-176171.3-172.70115.9E84E84-K87 PolarHBondContact O-N 2.99Å
88D59.7Low62.2Low142 Ų142143.1 Ų143.176%0.75971%0.711SS**THydrogen-bonded Turntrans-93.71.2-167.2-67-19000115.5
89K58.4Low61.4Low182 Ų182142 Ų14279%0.79172%0.719SS**THydrogen-bonded Turntrans-92.92.7-173-68.7-152.4174.4-158.80116.3
90V56.5Low60.5Low134 Ų134140 Ų14081%0.81272%0.715SS**SBendtrans-118.6-0.3-166.8-171.30000113.8
91S52.8Low59.7Low108 Ų108134.5 Ų134.576%0.75570%0.7SS**SBendtrans-110.91.5-162.1-1610000118.1
92E53.7Low58.9Low193 Ų193135.3 Ų135.390%0.90270%0.704SS**  trans-127.364.7-179.7-69.3-170.5177.300111.8
93E51.3Low58.4Low187 Ų187136.4 Ų136.487%0.87472%0.717SS**  trans-82.397.1148.9-71.4-179.7164.400107.2
94E53.1Low57.9Low170 Ų170132 Ų13279%0.79472%0.715SS**  trans-160.497164-107.7165.7-140.800109.8L96E94-L96 PolarHBondContact O-N 3.27Å
95D54.7Low57.5Low139 Ų139133.6 Ų133.674%0.74372%0.722SS**  trans62.835.4136.6-59.3-18.8000120.7H97D95-H97 PolarHBondContact O-CE1 2.75Å; D95-H97 PolarHBondContact O-N 3.46Å; D95-H97 VanDerWaalsContact O-N 3.12Å; D95-H97 PolarHBondContact O-ND1 2.79Å
96L57.9Low57.1Low169 Ų169130.1 Ų130.189%0.88572%0.716SS**  trans-76.998.7159.1-78.1152.3000109.4E94 L98E94-L96 PolarHBondContact O-N 3.27Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 2.9Å
97H55Low56.8Low134 Ų134134.1 Ų134.162%0.6272%0.721SS**  trans-53.578.8179.8-6567.5000113D95 G99 T100 S101D95-H97 PolarHBondContact O-CE1 2.75Å; D95-H97 PolarHBondContact O-N 3.46Å; D95-H97 VanDerWaalsContact O-N 3.12Å; D95-H97 PolarHBondContact O-ND1 2.79Å; H97-G99 PolarHBondContact O-N 2.78Å; H97-T100 HydrophobicContact CB-CG2 4.34Å; H97-T100 PolarHBondContact O-N 3.47Å; H97-T100 PolarHBondContact O-OG1 2.7Å; H97-T100 VanDerWaalsContact O-OG1 3.09Å; H97-S101 PolarHBondContact O-OG 3.37Å
98L59.5Low56.8Low124 Ų124135.1 Ų135.165%0.64972%0.72SS**Hα-helixtrans-56-19.5178.8-166.766.8000113.2L96 F102L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 2.9Å; L98-F102 HydrophobicContact CD1-CD2 4.4Å; L98-F102 HydrophobicContact CD1-CE2 4.11Å; L98-F102 HydrophobicContact CG-CE2 4.48Å
99G58.2Low57Low62 Ų62136.1 Ų136.164%0.63971%0.713SS**Hα-helixtrans-75-23175.600000115.3H97 S103H97-G99 PolarHBondContact O-N 2.78Å; G99-S103 PolarHBondContact O-OG 2.83Å
100T59.5Low57.6Low95 Ų95132.1 Ų132.158%0.58370%0.701SS**Hα-helixtrans-96-27.1-179.762.90000112.3H97 S103H97-T100 HydrophobicContact CB-CG2 4.34Å; H97-T100 PolarHBondContact O-N 3.47Å; H97-T100 PolarHBondContact O-OG1 2.7Å; H97-T100 VanDerWaalsContact O-OG1 3.09Å; T100-S103 PolarHBondContact O-N 3.35Å
101S59.3Low58.6Low70 Ų70132.7 Ų132.749%0.4969%0.694SS.*Hα-helixtrans-68.3-36-179.8-37.80000113.2H97 S103H97-S101 PolarHBondContact O-OG 3.37Å; S101-S103 VanDerWaalsContact C-N 3.32Å; S101-S103 PolarHBondContact O-N 2.88Å
102F53.8Low59.9Low159 Ų159132.8 Ų132.870%0.69769%0.686SS**Hα-helixtrans-76.2-17.3177.4-90.2-84.5000114L98L98-F102 HydrophobicContact CD1-CD2 4.4Å; L98-F102 HydrophobicContact CD1-CE2 4.11Å; L98-F102 HydrophobicContact CG-CE2 4.48Å
103S58.7Low61.4Low87 Ų87126 Ų12661%0.60866%0.663SS**Hα-helixtrans-88.2-21.6-177.8-62.70000113G99 T100 S101G99-S103 PolarHBondContact O-OG 2.83Å; T100-S103 PolarHBondContact O-N 3.35Å; S101-S103 VanDerWaalsContact C-N 3.32Å; S101-S103 PolarHBondContact O-N 2.88Å
104A61Low62.9Low90 Ų90120 Ų12074%0.74464%0.637SS**Hα-helixtrans-81.3-21.8179.500000113.2T106A104-T106 VanDerWaalsContact C-N 3.34Å; A104-T106 PolarHBondContact O-N 3.48Å
105E58Low64.5Low180 Ų180116.6 Ų116.684%0.84162%0.622SS**THydrogen-bonded Turntrans-99.433.8-179.8-161.6158.6-160.100112.1
106T53.5Low66.1Low60 Ų60115.1 Ų115.137%0.36861%0.612SS.*  trans-100.8106.7163.784.20000107.2A104 R108A104-T106 VanDerWaalsContact C-N 3.34Å; A104-T106 PolarHBondContact O-N 3.48Å; T106-R108 PolarHBondContact O-N 3.1Å
107N56.8Low67.6Low149 Ų149113.5 Ų113.580%0.79760%0.598SS**  trans-62.949.2163.9-108.5-26000110.7R109N107-R109 PolarHBondContact O-N 2.81Å
108R60.4Low69.2Low203 Ų203113.8 Ų113.877%0.76660%0.595SS**  trans-69.7111.4163.6-78.4-170.5173.4111.6-3.5105.3T106 D110T106-R108 PolarHBondContact O-N 3.1Å; R108-D110 PolarHBondContact O-N 3.4Å
109R64.8Low70.6Confident164 Ų164111.5 Ų111.562%0.61958%0.582SS**  trans-50.2115.3162.9-173.6-177.8-173.699.39106.4N107 E111 D114N107-R109 PolarHBondContact O-N 2.81Å; R109-E111 VanDerWaalsContact C-N 3.27Å; R109-E111 PolarHBondContact O-N 2.86Å; R109-D114 IonicContact CZ-OD2 3.99Å; R109-D114 IonicContact NE-OD2 3.21Å; R109-D114 PolarHBondContact NE-OD2 2.87Å; R109-D114 IonicContact NH2-OD1 2.65Å; R109-D114 IonicContact NH2-OD2 2.84Å; R109-D114 PolarHBondContact NH2-OD2 2.73Å
110D70.4Confident72Confident98 Ų98113.8 Ų113.852%0.52458%0.576SS.*  trans-73.391.4174.9-172.3-13.4000107.1R108 D112 A113 D114R108-D110 PolarHBondContact O-N 3.4Å; D110-D112 PolarHBondContact O-N 2.99Å; D110-D112 WeakPolarHBondContact OD1-CB 3.48Å; D110-D112 PolarHBondContact OD1-N 3.39Å; D110-D112 VanDerWaalsContact OD1-N 3.12Å; D110-A113 HydrophobicContact CB-CB 3.73Å; D110-A113 PolarHBondContact O-N 2.82Å; D110-A113 VanDerWaalsContact O-N 3.12Å; D110-A113 PolarHBondContact OD1-N 3.49Å; D110-D114 PolarHBondContact O-N 3.02Å
111E77.6Confident73.3Confident146 Ų146111.8 Ų111.868%0.68256%0.564SS**Hα-helixtrans-57.1-32.4178.1-64.3-177.316700110.6R109 M115R109-E111 VanDerWaalsContact C-N 3.27Å; R109-E111 PolarHBondContact O-N 2.86Å; E111-M115 WeakPolarHBondContact O-CB 3.42Å; E111-M115 PolarHBondContact O-N 3.4Å
112D80.5Confident74.6Confident110 Ų110110.8 Ų110.859%0.58855%0.552SS**Hα-helixtrans-69.9-41.8176.3-75.5-10.8000110.9D110 D114 M115 M116D110-D112 PolarHBondContact O-N 2.99Å; D110-D112 WeakPolarHBondContact OD1-CB 3.48Å; D110-D112 PolarHBondContact OD1-N 3.39Å; D110-D112 VanDerWaalsContact OD1-N 3.12Å; D112-D114 PolarHBondContact O-N 3.42Å; D112-M115 PolarHBondContact O-N 3.03Å; D112-M116 VanDerWaalsContact O-CB 3.32Å; D112-M116 WeakPolarHBondContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CG 3.23Å; D112-M116 PolarHBondContact O-N 3.28Å
113A84.8Confident76.2Confident50 Ų50107.1 Ų107.141%0.41354%0.539SS..Hα-helixtrans-62.3-42.317500000112.4D110 M116 K117D110-A113 HydrophobicContact CB-CB 3.73Å; D110-A113 PolarHBondContact O-N 2.82Å; D110-A113 VanDerWaalsContact O-N 3.12Å; D110-A113 PolarHBondContact OD1-N 3.49Å; A113-M116 PolarHBondContact O-N 2.83Å; A113-K117 WeakPolarHBondContact O-CB 3.27Å; A113-K117 PolarHBondContact O-N 2.77Å
114D82.8Confident77.4Confident60 Ų60107.3 Ų107.332%0.32153%0.529SS..Hα-helixtrans-67.4-39.7175.6-84.4-22.7000112.3R109 D110 D112 K117 Y118R109-D114 IonicContact CZ-OD2 3.99Å; R109-D114 IonicContact NE-OD2 3.21Å; R109-D114 PolarHBondContact NE-OD2 2.87Å; R109-D114 IonicContact NH2-OD1 2.65Å; R109-D114 IonicContact NH2-OD2 2.84Å; R109-D114 PolarHBondContact NH2-OD2 2.73Å; D110-D114 PolarHBondContact O-N 3.02Å; D112-D114 PolarHBondContact O-N 3.42Å; D114-K117 PolarHBondContact O-N 2.83Å; D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3.02Å
115M87.6Confident78.5Confident99 Ų99109.1 Ų109.149%0.48852%0.52SS..Hα-helixtrans-65.3-40.7176.2-169.8-178.5-19.100111E111 D112 Y118 I119E111-M115 WeakPolarHBondContact O-CB 3.42Å; E111-M115 PolarHBondContact O-N 3.4Å; D112-M115 PolarHBondContact O-N 3.03Å; M115-Y118 WeakPolarHBondContact O-CB 3.3Å; M115-Y118 PolarHBondContact O-N 3.29Å; M115-I119 HydrophobicContact CG-CD1 4.24Å; M115-I119 VanDerWaalsContact O-CG1 3.26Å; M115-I119 WeakPolarHBondContact O-CG1 3.47Å; M115-I119 PolarHBondContact O-N 2.96Å
116M88.4Confident79.6Confident109 Ų109110.6 Ų110.654%0.53752%0.518SS..Hα-helixtrans-63.9-44.4174-72.4-65.6-75.400111.3D112 A113 Y118 I119 E120D112-M116 VanDerWaalsContact O-CB 3.32Å; D112-M116 WeakPolarHBondContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CG 3.23Å; D112-M116 PolarHBondContact O-N 3.28Å; A113-M116 PolarHBondContact O-N 2.83Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.95Å; M116-I119 PolarHBondContact O-N 3.39Å; M116-I119 HydrophobicContact SD-CD1 4.43Å; M116-E120 WeakPolarHBondContact O-CG 3.38Å; M116-E120 PolarHBondContact O-N 3.26Å
117K88.6Confident80.9Confident135 Ų135115.4 Ų115.459%0.58753%0.533SS*.Hα-helixtrans-59.5-42172.9-176-178.5177.9-178.80111.7A113 D114 E120 T121A113-K117 WeakPolarHBondContact O-CB 3.27Å; A113-K117 PolarHBondContact O-N 2.77Å; D114-K117 PolarHBondContact O-N 2.83Å; K117-E120 PolarHBondContact O-N 2.85Å; K117-T121 VanDerWaalsContact O-CG2 3.31Å; K117-T121 WeakPolarHBondContact O-CG2 3.18Å; K117-T121 PolarHBondContact O-N 2.79Å; K117-T121 PolarHBondContact O-OG1 3.45Å
118Y89.1Confident81.5Confident140 Ų140110.9 Ų110.955%0.54952%0.522SS..Hα-helixtrans-62.4-47.7175.6177.9-104000111.6D114 M115 M116 E120 T121 E122D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3.02Å; M115-Y118 WeakPolarHBondContact O-CB 3.3Å; M115-Y118 PolarHBondContact O-N 3.29Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.95Å; Y118-E120 VanDerWaalsContact C-N 3.32Å; Y118-E120 PolarHBondContact O-N 3.39Å; Y118-T121 PolarHBondContact O-N 2.99Å; Y118-T121 PolarHBondContact O-OG1 2.84Å; Y118-E122 HydrophobicContact CD1-CG 4.29Å; Y118-E122 HydrophobicContact CD2-CG 4.19Å; Y118-E122 HydrophobicContact CE1-CG 3.8Å; Y118-E122 HydrophobicContact CE2-CG 3.68Å; Y118-E122 HydrophobicContact CG-CG 4.47Å; Y118-E122 VanDerWaalsContact CZ-CG 3.47Å; Y118-E122 WeakPolarHBondContact O-CG 3.43Å; Y118-E122 PolarHBondContact O-N 3.21Å
119I88.3Confident81.7Confident76 Ų76106.3 Ų106.339%0.3951%0.512SS..Hα-helixtrans-58.3-44.4176.3-69.2163.7000110.5M115 M116 E122 L123M115-I119 HydrophobicContact CG-CD1 4.24Å; M115-I119 VanDerWaalsContact O-CG1 3.26Å; M115-I119 WeakPolarHBondContact O-CG1 3.47Å; M115-I119 PolarHBondContact O-N 2.96Å; M116-I119 PolarHBondContact O-N 3.39Å; M116-I119 HydrophobicContact SD-CD1 4.43Å; I119-E122 PolarHBondContact O-N 3.31Å; I119-L123 HydrophobicContact CG2-CD1 3.73Å; I119-L123 HydrophobicContact CG2-CG 4.21Å; I119-L123 VanDerWaalsContact O-CB 3.27Å; I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 VanDerWaalsContact O-CG 3.25Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.32Å
120E87.9Confident81.4Confident109 Ų109103.3 Ų103.351%0.50951%0.512SS..Hα-helixtrans-62-44.8176.1-74.5179.1-174.500112.5M116 K117 Y118 L123 K124M116-E120 WeakPolarHBondContact O-CG 3.38Å; M116-E120 PolarHBondContact O-N 3.26Å; K117-E120 PolarHBondContact O-N 2.85Å; Y118-E120 VanDerWaalsContact C-N 3.32Å; Y118-E120 PolarHBondContact O-N 3.39Å; E120-L123 PolarHBondContact O-N 3.36Å; E120-K124 WeakPolarHBondContact O-CB 3.49Å; E120-K124 VanDerWaalsContact O-CG 3.27Å; E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 2.95Å
121T86.9Confident80.8Confident53 Ų53105.7 Ų105.733%0.32552%0.52SS..Hα-helixtrans-65-42177.960.70000111.7K117 Y118 K124 K125K117-T121 VanDerWaalsContact O-CG2 3.31Å; K117-T121 WeakPolarHBondContact O-CG2 3.18Å; K117-T121 PolarHBondContact O-N 2.79Å; K117-T121 PolarHBondContact O-OG1 3.45Å; Y118-T121 PolarHBondContact O-N 2.99Å; Y118-T121 PolarHBondContact O-OG1 2.84Å; T121-K124 PolarHBondContact O-N 3.42Å; T121-K125 VanDerWaalsContact O-CG 3.28Å; T121-K125 WeakPolarHBondContact O-CG 3.37Å; T121-K125 PolarHBondContact O-N 3.41Å
122E87.4Confident79.6Confident50 Ų50105.6 Ų105.623%0.23452%0.519CS..Hα-helixtrans-68.1-38.2176.1-69.9-59.8131.200112.4Y118 I119 K125 R126Y118-E122 HydrophobicContact CD1-CG 4.29Å; Y118-E122 HydrophobicContact CD2-CG 4.19Å; Y118-E122 HydrophobicContact CE1-CG 3.8Å; Y118-E122 HydrophobicContact CE2-CG 3.68Å; Y118-E122 HydrophobicContact CG-CG 4.47Å; Y118-E122 VanDerWaalsContact CZ-CG 3.47Å; Y118-E122 WeakPolarHBondContact O-CG 3.43Å; Y118-E122 PolarHBondContact O-N 3.21Å; I119-E122 PolarHBondContact O-N 3.31Å; E122-K125 PolarHBondContact O-N 2.85Å; E122-K125 WeakPolarHBondContact OE1-CD 2.95Å; E122-K125 IonicContact OE1-NZ 3.9Å; E122-K125 PolarHBondContact OE1-NZ 2.65Å; E122-R126 WeakPolarHBondContact O-CB 3.36Å; E122-R126 WeakPolarHBondContact O-CG 3.46Å; E122-R126 PolarHBondContact O-N 3.17Å
123L86.4Confident78.1Confident81 Ų81108.9 Ų108.942%0.42453%0.531SS..Hα-helixtrans-64.9-40172.4-76.8172.5000111.5I119 E120 R126 K127I119-L123 HydrophobicContact CG2-CD1 3.73Å; I119-L123 HydrophobicContact CG2-CG 4.21Å; I119-L123 VanDerWaalsContact O-CB 3.27Å; I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 VanDerWaalsContact O-CG 3.25Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.32Å; E120-L123 PolarHBondContact O-N 3.36Å; L123-R126 PolarHBondContact O-N 3.42Å; L123-K127 VanDerWaalsContact O-CB 3.27Å; L123-K127 WeakPolarHBondContact O-CB 3.36Å; L123-K127 WeakPolarHBondContact O-CG 3.45Å; L123-K127 PolarHBondContact O-N 2.89Å
124K84.1Confident76.2Confident92 Ų92112.5 Ų112.540%0.454%0.539SS..Hα-helixtrans-63.2-44.4173.9-77.7176.1179.3-1760111.5E120 T121 K127 G128 I129E120-K124 WeakPolarHBondContact O-CB 3.49Å; E120-K124 VanDerWaalsContact O-CG 3.27Å; E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 2.95Å; T121-K124 PolarHBondContact O-N 3.42Å; K124-K127 CarbonylContact O-C 3.56Å; K124-K127 PolarHBondContact O-N 3.07Å; K124-G128 PolarHBondContact O-N 3.12Å; K124-I129 PolarHBondContact O-N 3.38Å; K124-I129 VanDerWaalsContact O-N 3.11Å
125K84.2Confident74.6Confident128 Ų128118.4 Ų118.456%0.55757%0.565SS**Hα-helixtrans-58.1-47.4173.4-73.3174-171.3172.30111.7T121 E122 G128T121-K125 VanDerWaalsContact O-CG 3.28Å; T121-K125 WeakPolarHBondContact O-CG 3.37Å; T121-K125 PolarHBondContact O-N 3.41Å; E122-K125 PolarHBondContact O-N 2.85Å; E122-K125 WeakPolarHBondContact OE1-CD 2.95Å; E122-K125 IonicContact OE1-NZ 3.9Å; E122-K125 PolarHBondContact OE1-NZ 2.65Å; K125-G128 PolarHBondContact O-N 3.45Å; K125-G128 VanDerWaalsContact O-N 3.15Å
126R81.5Confident72.7Confident211 Ų211121.8 Ų121.880%0.79658%0.577SS**Hα-helixtrans-67.1-32.7177-74.6-179.8178.7177.81.1113.5E122 L123 G128E122-R126 WeakPolarHBondContact O-CB 3.36Å; E122-R126 WeakPolarHBondContact O-CG 3.46Å; E122-R126 PolarHBondContact O-N 3.17Å; L123-R126 PolarHBondContact O-N 3.42Å; R126-G128 PolarHBondContact O-N 3.02Å
127K81.4Confident71.2Confident160 Ų160120.8 Ų120.870%0.69659%0.586SS**THydrogen-bonded Turntrans-76.1-1173.6-74.5175.9179.1-177.80113.2L123 K124 I129L123-K127 VanDerWaalsContact O-CB 3.27Å; L123-K127 WeakPolarHBondContact O-CB 3.36Å; L123-K127 WeakPolarHBondContact O-CG 3.45Å; L123-K127 PolarHBondContact O-N 2.89Å; K124-K127 CarbonylContact O-C 3.56Å; K124-K127 PolarHBondContact O-N 3.07Å; K127-I129 PolarHBondContact O-N 2.89Å
128G68.8Low70Confident55 Ų55122.9 Ų122.957%0.56760%0.595SS**THydrogen-bonded Turntrans73.312.2176.900000114.4K124 K125 R126 V130K124-G128 PolarHBondContact O-N 3.12Å; K125-G128 PolarHBondContact O-N 3.45Å; K125-G128 VanDerWaalsContact O-N 3.15Å; R126-G128 PolarHBondContact O-N 3.02Å; G128-V130 PolarHBondContact O-N 3.4Å
129I65.2Low68.7Low107 Ų107122.5 Ų122.555%0.54961%0.61SS.*  trans-84.876.6170.4-54.1170.9000105.7K124 K127 E131K124-I129 PolarHBondContact O-N 3.38Å; K124-I129 VanDerWaalsContact O-N 3.11Å; K127-I129 PolarHBondContact O-N 2.89Å; I129-E131 VanDerWaalsContact C-N 3.32Å; I129-E131 PolarHBondContact O-N 3.22Å
130V58.3Low67.6Low101 Ų101124.3 Ų124.361%0.61262%0.615SS**  trans-74.894.1172.5-1690000105.9G128 Q132G128-V130 PolarHBondContact O-N 3.4Å; V130-Q132 HydrophobicContact CG1-CB 4.45Å; V130-Q132 HydrophobicContact CG1-CG 3.74Å; V130-Q132 PolarHBondContact O-N 3.26Å
131E57.9Low67Low148 Ų148123.8 Ų123.869%0.69262%0.615SS**  trans-6482.6151.7-81.9174162.900105.8I129 E133I129-E131 VanDerWaalsContact C-N 3.32Å; I129-E131 PolarHBondContact O-N 3.22Å; E131-E133 PolarHBondContact O-N 2.91Å
132Q50.9Low66.5Low144 Ų144124.9 Ų124.967%0.67363%0.63SS**  trans-62.490.6153.5-89.5173.7800103.9V130 E134V130-Q132 HydrophobicContact CG1-CB 4.45Å; V130-Q132 HydrophobicContact CG1-CG 3.74Å; V130-Q132 PolarHBondContact O-N 3.26Å; Q132-E134 HydrophobicContact CB-CG 4.18Å; Q132-E134 PolarHBondContact O-N 3.37Å
133E50Low66Low178 Ų178128.8 Ų128.883%0.83265%0.648SS**  trans-59.482.3147.1-74.5-170.516100105.5E131 Q135E131-E133 PolarHBondContact O-N 2.91Å; E133-Q135 PolarHBondContact O-N 3.21Å
134E44.9Very low65.5Low127 Ų127129.2 Ų129.259%0.59365%0.651SS**  trans-56.596.2166.1-74.4-174.615600105.6Q132 K136Q132-E134 HydrophobicContact CB-CG 4.18Å; Q132-E134 PolarHBondContact O-N 3.37Å; E134-K136 HydrophobicContact CB-CG 4.21Å; E134-K136 PolarHBondContact O-N 3.49Å; E134-K136 VanDerWaalsContact OE2-CE 3.31Å; E134-K136 WeakPolarHBondContact OE2-CE 3.31Å
135Q48.2Very low65.2Low184 Ų184128.2 Ų128.286%0.8666%0.655SS**  trans-57.290.1153.4-67.3-177.94.700105.6E133 A137E133-Q135 PolarHBondContact O-N 3.21Å; Q135-A137 PolarHBondContact O-N 3.29Å
136K49.1Very low65Low170 Ų170129.1 Ų129.174%0.73967%0.665SS**  trans-67.572.3170.1-69.3-175.1180-179.70107.8E134 K138E134-K136 HydrophobicContact CB-CG 4.21Å; E134-K136 PolarHBondContact O-N 3.49Å; E134-K136 VanDerWaalsContact OE2-CE 3.31Å; E134-K136 WeakPolarHBondContact OE2-CE 3.31Å; K136-K138 VanDerWaalsContact C-N 3.34Å; K136-K138 PolarHBondContact O-N 2.98Å
137A55.8Low65Low88 Ų88128.4 Ų128.473%0.72766%0.664SS**  trans-67.799.1164.800000106.2Q135Q135-A137 PolarHBondContact O-N 3.29Å
138K64.2Low64.9Low179 Ų179124.2 Ų124.278%0.77865%0.646SS**PPolyproline II helixtrans-51.5139.9168.2-64.7179.6179.9178.30108.2K136 K140K136-K138 VanDerWaalsContact C-N 3.34Å; K136-K138 PolarHBondContact O-N 2.98Å; K138-K140 PolarHBondContact O-N 3.15Å
139P62.1Low65.4Low131 Ų131126.5 Ų126.585%0.85165%0.645SS**PPolyproline II helixtrans-59.4116.3174.726-32.7000107.8
140K64.7Low66.2Low115 Ų115124.7 Ų124.750%0.564%0.64SS.*PPolyproline II helixtrans-69.5140.3178.7-68.2178.5-175-179.90108.9K138 D144 E148K138-K140 PolarHBondContact O-N 3.15Å; K140-D144 HydrophobicContact CB-CB 4.22Å; K140-E148 WeakPolarHBondContact CD-OE1 3.4Å; K140-E148 WeakPolarHBondContact CE-OE1 3.25Å; K140-E148 IonicContact NZ-OE1 2.67Å; K140-E148 PolarHBondContact NZ-OE1 2.94Å; K140-E148 IonicContact NZ-OE2 3.18Å; K140-E148 PolarHBondContact NZ-OE2 3.25Å
141N75.8Confident67.1Low97 Ų97127.7 Ų127.752%0.51965%0.648SS.*PPolyproline II helixtrans-62.1149.5174.6-169.116.5000109.2E143 D144 C145N141-E143 PolarHBondContact O-N 3.35Å; N141-D144 WeakPolarHBondContact O-CB 3.48Å; N141-D144 PolarHBondContact O-N 2.86Å; N141-C145 PolarHBondContact O-N 2.88Å
142A75.4Confident67.9Low76 Ų76127.5 Ų127.563%0.62865%0.652SS**THydrogen-bonded Turntrans-58.5-27-176.500000112.9
143E78.1Confident69.3Low133 Ų133125.3 Ų125.362%0.62164%0.643SS**THydrogen-bonded Turntrans-71.4-33.4175.1-63.3175.1-178.700112.8N141 C145 L146 Y147N141-E143 PolarHBondContact O-N 3.35Å; E143-C145 VanDerWaalsContact C-N 3.33Å; E143-L146 PolarHBondContact O-N 2.94Å; E143-Y147 VanDerWaalsContact O-CD2 3.31Å; E143-Y147 WeakPolarHBondContact O-CD2 3.1Å
144D75.9Confident70.4Confident90 Ų90122.3 Ų122.348%0.48163%0.625SS.*G310 helixtrans-71.8-30.5178.5-73.1-25.9000111.7K140 N141 L146 Y147K140-D144 HydrophobicContact CB-CB 4.22Å; N141-D144 WeakPolarHBondContact O-CB 3.48Å; N141-D144 PolarHBondContact O-N 2.86Å; D144-L146 PolarHBondContact O-N 3.38Å; D144-Y147 PolarHBondContact O-N 3.37Å
145C76.4Confident71.6Confident71 Ų71122.6 Ų122.648%0.4864%0.635SS.*G310 helixtrans-62.5-27.7176.3-67.40000112.8N141 E143 Y147 E148N141-C145 PolarHBondContact O-N 2.88Å; E143-C145 VanDerWaalsContact C-N 3.33Å; C145-Y147 VanDerWaalsContact C-N 3.32Å; C145-E148 PolarHBondContact O-N 3.11Å
146L80.9Confident72.3Confident147 Ų147118.1 Ų118.177%0.7762%0.624SS**G310 helixtrans-73.6-23.5179.2-70.6164.4000112.8E143 D144E143-L146 PolarHBondContact O-N 2.94Å; D144-L146 PolarHBondContact O-N 3.38Å
147Y81Confident72.8Confident196 Ų196115.6 Ų115.677%0.76963%0.627SS**G310 helixtrans-96.73.2178.2-63.7-75.1000113.2E143 D144 C145 L149E143-Y147 VanDerWaalsContact O-CD2 3.31Å; E143-Y147 WeakPolarHBondContact O-CD2 3.1Å; D144-Y147 PolarHBondContact O-N 3.37Å; C145-Y147 VanDerWaalsContact C-N 3.32Å; Y147-L149 PolarHBondContact O-N 3.2Å
148E79.3Confident72.9Confident71 Ų71114.8 Ų114.833%0.33262%0.62SS.*  trans-72.4115.4176.3-69-155.8-152.500111.5K140 C145 R154K140-E148 WeakPolarHBondContact CD-OE1 3.4Å; K140-E148 WeakPolarHBondContact CE-OE1 3.25Å; K140-E148 IonicContact NZ-OE1 2.67Å; K140-E148 PolarHBondContact NZ-OE1 2.94Å; K140-E148 IonicContact NZ-OE2 3.18Å; K140-E148 PolarHBondContact NZ-OE2 3.25Å; C145-E148 PolarHBondContact O-N 3.11Å; E148-R154 IonicContact OE2-CZ 3.59Å; E148-R154 IonicContact OE2-NH2 3.56Å; E148-R154 PolarHBondContact OE2-NH2 3.22Å
149L79.8Confident72.5Confident103 Ų103115.7 Ų115.754%0.53962%0.624SS.*  trans-66.4133.8171.4-71.5168.5000110.5Y147 I153 R154Y147-L149 PolarHBondContact O-N 3.2Å; L149-I153 HydrophobicContact CD2-CG2 4.5Å; L149-R154 HydrophobicContact CB-CG 4.3Å
150P82Confident72.2Confident70 Ų70118.5 Ų118.546%0.45562%0.623SS.*  trans-50.9144.3171.1-29.737.2000112.6N152 I153 R154P150-N152 WeakPolarHBondContact CB-OD1 3.34Å; P150-N152 PolarHBondContact O-N 3.44Å; P150-N152 VanDerWaalsContact O-N 3.12Å; P150-I153 HydrophobicContact CB-CD1 4.49Å; P150-I153 HydrophobicContact CG-CD1 4.44Å; P150-I153 CarbonylContact O-C 3.57Å; P150-I153 PolarHBondContact O-N 3.36Å; P150-R154 PolarHBondContact O-N 3.15Å
151E76.5Confident71.7Confident164 Ų164116.2 Ų116.277%0.76662%0.619SS**THydrogen-bonded Turntrans-57.8-31.4-174.2-67.4-162.3153.200113.9I153 R154E151-I153 PolarHBondContact O-N 3.18Å; E151-R154 PolarHBondContact O-N 3.32Å
152N75.5Confident71.1Confident144 Ų144120 Ų12077%0.7763%0.633SS**THydrogen-bonded Turntrans-73.4-12.3176.663.1-31.1000114.2P150P150-N152 WeakPolarHBondContact CB-OD1 3.34Å; P150-N152 PolarHBondContact O-N 3.44Å; P150-N152 VanDerWaalsContact O-N 3.12Å
153I78.9Confident70.5Confident98 Ų98122.7 Ų122.750%0.50363%0.633SS.*THydrogen-bonded Turntrans-114-9.6177.2-56.3168.4000110.8L149 P150 E151 V155L149-I153 HydrophobicContact CD2-CG2 4.5Å; P150-I153 HydrophobicContact CB-CD1 4.49Å; P150-I153 HydrophobicContact CG-CD1 4.44Å; P150-I153 CarbonylContact O-C 3.57Å; P150-I153 PolarHBondContact O-N 3.36Å; E151-I153 PolarHBondContact O-N 3.18Å; I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 3.49Å
154R74.9Confident69.6Low115 Ų115122.2 Ų122.243%0.43463%0.632SS.*  trans-62.991.8170.4-99.3-179.5-174.1152.710109.6E148 L149 P150 E151 S156E148-R154 IonicContact OE2-CZ 3.59Å; E148-R154 IonicContact OE2-NH2 3.56Å; E148-R154 PolarHBondContact OE2-NH2 3.22Å; L149-R154 HydrophobicContact CB-CG 4.3Å; P150-R154 PolarHBondContact O-N 3.15Å; E151-R154 PolarHBondContact O-N 3.32Å; R154-S156 VanDerWaalsContact C-N 3.31Å; R154-S156 PolarHBondContact O-N 2.93Å
155V69Low69.1Low133 Ų133124.1 Ų124.181%0.80664%0.642SS**  trans-70.295.1165.4-171.10000106.2I153 S157I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 3.49Å; V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 2.85Å
156S62.1Low68.9Low90 Ų90122.8 Ų122.863%0.62963%0.633SS**  trans-60.395.5171.731.60000109.2R154 A158R154-S156 VanDerWaalsContact C-N 3.31Å; R154-S156 PolarHBondContact O-N 2.93Å; S156-A158 PolarHBondContact O-N 3.4Å
157S60.1Low68.3Low117 Ų117119 Ų11982%0.81861%0.614SS**  trans-70.2-2.6167.961.40000112.4V155 K159V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 2.85Å; S157-K159 VanDerWaalsContact C-N 3.33Å; S157-K159 PolarHBondContact O-N 3.17Å
158A58.3Low68Low70 Ų70113.9 Ų113.958%0.57960%0.597SS**SBendtrans-74.583.5173.600000110.5S156 K160S156-A158 PolarHBondContact O-N 3.4Å; A158-K160 VanDerWaalsContact C-N 3.26Å; A158-K160 PolarHBondContact O-N 3.2Å
159K56.3Low68Low198 Ų198116.9 Ų116.986%0.86161%0.612SS**  trans4043.2135.3-55.4-178.8179.6-179.80116.8S157 T161S157-K159 VanDerWaalsContact C-N 3.33Å; S157-K159 PolarHBondContact O-N 3.17Å; K159-T161 PolarHBondContact O-N 2.76Å
160K54.8Low67.6Low191 Ų191118.7 Ų118.783%0.8362%0.622SS**SBendtrans-74.570.9152.6-69.9-173.5180178.70106.3A158 E162A158-K160 VanDerWaalsContact C-N 3.26Å; A158-K160 PolarHBondContact O-N 3.2Å; K160-E162 PolarHBondContact O-N 3.17Å
161T55.9Low67.3Low66 Ų66119.9 Ų119.941%0.40563%0.632SS.*  trans26.688.2162.947.40000114.3K159 E163 M164K159-T161 PolarHBondContact O-N 2.76Å; T161-E163 PolarHBondContact O-N 2.93Å; T161-M164 PolarHBondContact O-N 2.9Å; T161-M164 WeakPolarHBondContact OG1-CB 3.36Å; T161-M164 VanDerWaalsContact OG1-CG 3.24Å; T161-M164 WeakPolarHBondContact OG1-CG 3.45Å
162E62.2Low67.3Low176 Ų176113.7 Ų113.782%0.82261%0.612SS**Hα-helixtrans-47.3-27.6160.6-173.1174.917900111K160 M164 L165 S166K160-E162 PolarHBondContact O-N 3.17Å; E162-M164 PolarHBondContact O-N 3.33Å; E162-L165 PolarHBondContact O-N 2.82Å; E162-S166 WeakPolarHBondContact O-CB 3.28Å; E162-S166 PolarHBondContact O-N 3.34Å; E162-S166 PolarHBondContact O-OG 3.49Å
163E63.1Low67.3Low134 Ų134112.6 Ų112.663%0.62661%0.605SS**Hα-helixtrans-64.6-27.3172.3-162.6170.7-164.700115.7T161 S166 N167T161-E163 PolarHBondContact O-N 2.93Å; E163-S166 VanDerWaalsContact CA-OG 3.3Å; E163-S166 WeakPolarHBondContact CA-OG 3.38Å; E163-S166 PolarHBondContact O-OG 3.05Å; E163-N167 PolarHBondContact O-N 3.43Å; E163-N167 PolarHBondContact O-ND2 2.93Å; E163-N167 VanDerWaalsContact O-ND2 3.1Å
164M59.6Low67.2Low122 Ų122112.7 Ų112.760%0.60161%0.612SS**Hα-helixtrans-82.4-30.2174.3-71.5-151.7112.800112.6T161 E162T161-M164 PolarHBondContact O-N 2.9Å; T161-M164 WeakPolarHBondContact OG1-CB 3.36Å; T161-M164 VanDerWaalsContact OG1-CG 3.24Å; T161-M164 WeakPolarHBondContact OG1-CG 3.45Å; E162-M164 PolarHBondContact O-N 3.33Å
165L64.7Low67.4Low130 Ų130116 Ų11668%0.68163%0.632SS**Hα-helixtrans-78.3-33.3172-131.685.9000111.4E162 Q168 M169E162-L165 PolarHBondContact O-N 2.82Å; L165-Q168 WeakPolarHBondContact O-CB 3.45Å; L165-Q168 PolarHBondContact O-N 3.43Å; L165-M169 VanDerWaalsContact O-CG 3.32Å; L165-M169 WeakPolarHBondContact O-CG 3.39Å; L165-M169 PolarHBondContact O-N 3.09Å
166S71.8Confident68.1Low43 Ų43115.4 Ų115.430%0.30163%0.629SS.*Hα-helixtrans-64-42.517970.20000111.5E162 E163 Q168 M169 L170E162-S166 WeakPolarHBondContact O-CB 3.28Å; E162-S166 PolarHBondContact O-N 3.34Å; E162-S166 PolarHBondContact O-OG 3.49Å; E163-S166 VanDerWaalsContact CA-OG 3.3Å; E163-S166 WeakPolarHBondContact CA-OG 3.38Å; E163-S166 PolarHBondContact O-OG 3.05Å; S166-Q168 VanDerWaalsContact C-N 3.3Å; S166-Q168 PolarHBondContact O-N 3.02Å; S166-M169 CarbonylContact O-C 3.56Å; S166-M169 WeakPolarHBondContact O-CB 3.41Å; S166-M169 PolarHBondContact O-N 3Å; S166-M169 VanDerWaalsContact O-N 3.1Å; S166-L170 WeakPolarHBondContact O-CB 3.48Å; S166-L170 VanDerWaalsContact O-CG 3.27Å; S166-L170 WeakPolarHBondContact O-CG 3.34Å; S166-L170 PolarHBondContact O-N 3.35Å
167N69.5Low69.3Low67 Ų67118 Ų11836%0.35864%0.636SS.*Hα-helixtrans-62.8-37.8176.6-72.3-28.7000111.8E163 M169 L170 S171E163-N167 PolarHBondContact O-N 3.43Å; E163-N167 PolarHBondContact O-ND2 2.93Å; E163-N167 VanDerWaalsContact O-ND2 3.1Å; N167-M169 VanDerWaalsContact C-N 3.31Å; N167-M169 PolarHBondContact O-N 3.03Å; N167-L170 PolarHBondContact O-N 3.33Å; N167-S171 WeakPolarHBondContact O-CB 3.38Å; N167-S171 PolarHBondContact O-N 3.4Å; N167-S171 PolarHBondContact O-OG 2.85Å; N167-S171 VanDerWaalsContact O-OG 3.06Å
168Q74.8Confident70.5Confident89 Ų89118.8 Ų118.842%0.41663%0.63SS.*Hα-helixtrans-64.9-33.7173.8-176.163.350.600112.7L165 S166 S171 G172L165-Q168 WeakPolarHBondContact O-CB 3.45Å; L165-Q168 PolarHBondContact O-N 3.43Å; S166-Q168 VanDerWaalsContact C-N 3.3Å; S166-Q168 PolarHBondContact O-N 3.02Å; Q168-S171 PolarHBondContact O-OG 3.09Å; Q168-G172 CarbonylContact O-C 3.45Å
169M78.5Confident72.1Confident134 Ų134116.8 Ų116.866%0.6662%0.616SS**Hα-helixtrans-76.1-34.8174.7-67.6-67.2-65.900111.9L165 S166 N167L165-M169 VanDerWaalsContact O-CG 3.32Å; L165-M169 WeakPolarHBondContact O-CG 3.39Å; L165-M169 PolarHBondContact O-N 3.09Å; S166-M169 CarbonylContact O-C 3.56Å; S166-M169 WeakPolarHBondContact O-CB 3.41Å; S166-M169 PolarHBondContact O-N 3Å; S166-M169 VanDerWaalsContact O-N 3.1Å; N167-M169 VanDerWaalsContact C-N 3.31Å; N167-M169 PolarHBondContact O-N 3.03Å
170L71.4Confident73.7Confident142 Ų142113.4 Ų113.474%0.74361%0.606SS**Hα-helixtrans-76.1-35.2178.5-71.9171.1000112.8S166 N167 G172S166-L170 WeakPolarHBondContact O-CB 3.48Å; S166-L170 VanDerWaalsContact O-CG 3.27Å; S166-L170 WeakPolarHBondContact O-CG 3.34Å; S166-L170 PolarHBondContact O-N 3.35Å; N167-L170 PolarHBondContact O-N 3.33Å; L170-G172 PolarHBondContact O-N 3.36Å
171S74.9Confident75.6Confident94 Ų94110.7 Ų110.766%0.65760%0.601SS**SBendtrans-77-5.4176.665.90000113.7N167 Q168N167-S171 WeakPolarHBondContact O-CB 3.38Å; N167-S171 PolarHBondContact O-N 3.4Å; N167-S171 PolarHBondContact O-OG 2.85Å; N167-S171 VanDerWaalsContact O-OG 3.06Å; Q168-S171 PolarHBondContact O-OG 3.09Å
172G77.4Confident77.5Confident35 Ų35109.1 Ų109.136%0.36160%0.595SS.*  trans79.5149.5-167.600000112.1Q168 L170 P174Q168-G172 CarbonylContact O-C 3.45Å; L170-G172 PolarHBondContact O-N 3.36Å; G172-P174 WeakPolarHBondContact O-CD 3.5Å
173I74.6Confident79Confident120 Ų120107.8 Ų107.862%0.61559%0.586SS**  trans-71.4126.3171.1-59.8171.4000107E175I173-E175 WeakPolarHBondContact O-CG 3.36Å; I173-E175 PolarHBondContact O-N 3.33Å
174P78.3Confident80.5Confident100 Ų100105.2 Ų105.265%0.64958%0.576SS**  trans-55.3105169.3-25.933000108.9G172 V176G172-P174 WeakPolarHBondContact O-CD 3.5Å; P174-V176 PolarHBondContact O-N 3.3Å
175E78.8Confident82.3Confident184 Ų184107 Ų10786%0.8658%0.58SS**  trans-73.2125-179.9-61.1-174-171.900108.3I173I173-E175 WeakPolarHBondContact O-CG 3.36Å; I173-E175 PolarHBondContact O-N 3.33Å
176V83.8Confident83.7Confident122 Ų122105.7 Ų105.774%0.73957%0.574SS**  trans-83.5112.6160178.80000105.8P174 L178P174-V176 PolarHBondContact O-N 3.3Å; V176-L178 HydrophobicContact CG1-CD2 4.29Å; V176-L178 PolarHBondContact O-N 2.89Å
177D86.5Confident84.8Confident145 Ų145107.9 Ų107.978%0.77558%0.581SS**  trans-65.8103.5177.2-173.98.7000109.5G179D177-G179 PolarHBondContact O-N 3.49Å; D177-G179 WeakPolarHBondContact OD1-CA 3.36Å; D177-G179 PolarHBondContact OD1-N 3.29Å
178L85.8Confident86.1Confident133 Ų133108.7 Ų108.770%0.69659%0.585SS**  trans-76.6-5175.8-59.2178.7000112V176 A182V176-L178 HydrophobicContact CG1-CD2 4.29Å; V176-L178 PolarHBondContact O-N 2.89Å; L178-A182 HydrophobicContact CB-CB 4.05Å; L178-A182 WeakPolarHBondContact O-CB 3.45Å
179G90.5Very high87.1Confident27 Ų27108.1 Ų108.128%0.27859%0.59SS.*  trans81.4153.7-176.100000113.3D177 D181 A182 K183D177-G179 PolarHBondContact O-N 3.49Å; D177-G179 WeakPolarHBondContact OD1-CA 3.36Å; D177-G179 PolarHBondContact OD1-N 3.29Å; G179-D181 PolarHBondContact O-N 2.79Å; G179-A182 PolarHBondContact O-N 2.79Å; G179-K183 PolarHBondContact O-N 3.5Å
180I91.4Very high88Confident127 Ų127106.1 Ų106.165%0.65159%0.586SS**Hα-helixtrans-61.6-34.3178-62.2173.4000110.8A182 K183 I184I180-A182 PolarHBondContact O-N 2.97Å; I180-K183 WeakPolarHBondContact O-CB 3.27Å; I180-K183 PolarHBondContact O-N 3.3Å; I180-K183 VanDerWaalsContact O-N 3.17Å; I180-I184 HydrophobicContact CG2-CD1 3.68Å; I180-I184 HydrophobicContact CG2-CG1 4.08Å; I180-I184 WeakPolarHBondContact O-CG1 3.34Å; I180-I184 PolarHBondContact O-N 3.11Å
181D94.7Very high89.2Confident135 Ų135105.3 Ų105.372%0.72258%0.578SS**Hα-helixtrans-62.6-40-179.9-63.3-35.6000112.5G179 K183 I184 K185G179-D181 PolarHBondContact O-N 2.79Å; D181-K183 VanDerWaalsContact C-N 3.35Å; D181-I184 PolarHBondContact O-N 3.34Å; D181-K185 WeakPolarHBondContact O-CB 3.49Å; D181-K185 PolarHBondContact O-N 3.25Å
182A94.6Very high90.2Very high33 Ų33106 Ų10627%0.27358%0.575SS.*Hα-helixtrans-65.9-40.2175.500000111.3L178 G179 I180 K185 N186L178-A182 HydrophobicContact CB-CB 4.05Å; L178-A182 WeakPolarHBondContact O-CB 3.45Å; G179-A182 PolarHBondContact O-N 2.79Å; I180-A182 PolarHBondContact O-N 2.97Å; A182-K185 PolarHBondContact O-N 3.49Å; A182-N186 VanDerWaalsContact O-CG 3.3Å; A182-N186 PolarHBondContact O-N 2.9Å; A182-N186 PolarHBondContact O-ND2 3.1Å
183K93.8Very high91Very high148 Ų148107.2 Ų107.264%0.64358%0.581SS**Hα-helixtrans-62.5-46.3175-168.3173.7-171.1171.30111.5G179 I180 D181 N186 I187G179-K183 PolarHBondContact O-N 3.5Å; I180-K183 WeakPolarHBondContact O-CB 3.27Å; I180-K183 PolarHBondContact O-N 3.3Å; I180-K183 VanDerWaalsContact O-N 3.17Å; D181-K183 VanDerWaalsContact C-N 3.35Å; K183-N186 PolarHBondContact O-N 2.88Å; K183-I187 HydrophobicContact CG-CD1 4.16Å; K183-I187 VanDerWaalsContact O-CG1 3.25Å; K183-I187 WeakPolarHBondContact O-CG1 3.42Å; K183-I187 PolarHBondContact O-N 2.88Å
184I94.9Very high92Very high80 Ų80108.2 Ų108.241%0.4158%0.581SS.*Hα-helixtrans-61.9-44.9176.7-69.3172.2000110.6I180 D181 N186 I187 I188I180-I184 HydrophobicContact CG2-CD1 3.68Å; I180-I184 HydrophobicContact CG2-CG1 4.08Å; I180-I184 WeakPolarHBondContact O-CG1 3.34Å; I180-I184 PolarHBondContact O-N 3.11Å; D181-I184 PolarHBondContact O-N 3.34Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 3.11Å; I184-I187 WeakPolarHBondContact O-CB 3.21Å; I184-I187 PolarHBondContact O-N 3.18Å; I184-I187 VanDerWaalsContact O-N 3.15Å; I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.24Å; I184-I188 WeakPolarHBondContact O-CG1 3.39Å; I184-I188 PolarHBondContact O-N 2.99Å
185K97Very high92.8Very high159 Ų159106.1 Ų106.169%0.69157%0.572SS**Hα-helixtrans-59.7-41.7178.2-173.6178.8179.5-178.80112.3D181 A182 S189D181-K185 WeakPolarHBondContact O-CB 3.49Å; D181-K185 PolarHBondContact O-N 3.25Å; A182-K185 PolarHBondContact O-N 3.49Å; K185-S189 WeakPolarHBondContact O-CB 3.4Å; K185-S189 PolarHBondContact O-N 3.03Å
186N94.9Very high93.5Very high103 Ų103106.7 Ų106.755%0.55157%0.566SS**Hα-helixtrans-65.2-43175.2-70.4-17000111.3A182 K183 I184 S189 T190A182-N186 VanDerWaalsContact O-CG 3.3Å; A182-N186 PolarHBondContact O-N 2.9Å; A182-N186 PolarHBondContact O-ND2 3.1Å; K183-N186 PolarHBondContact O-N 2.88Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 3.11Å; N186-S189 PolarHBondContact O-N 2.98Å; N186-T190 VanDerWaalsContact O-CG2 3.28Å; N186-T190 WeakPolarHBondContact O-CG2 3.38Å; N186-T190 PolarHBondContact O-N 3.31Å; N186-T190 PolarHBondContact O-OG1 3.33Å
187I94.6Very high93.8Very high89 Ų89105.3 Ų105.346%0.45655%0.554SS.*Hα-helixtrans-58.7-51.3175.9-68.7163.8000110.3K183 I184 S189 T190 E191K183-I187 HydrophobicContact CG-CD1 4.16Å; K183-I187 VanDerWaalsContact O-CG1 3.25Å; K183-I187 WeakPolarHBondContact O-CG1 3.42Å; K183-I187 PolarHBondContact O-N 2.88Å; I184-I187 WeakPolarHBondContact O-CB 3.21Å; I184-I187 PolarHBondContact O-N 3.18Å; I184-I187 VanDerWaalsContact O-N 3.15Å; I187-S189 VanDerWaalsContact C-N 3.35Å; I187-S189 PolarHBondContact O-N 3.47Å; I187-T190 PolarHBondContact O-N 3Å; I187-T190 PolarHBondContact O-OG1 2.92Å; I187-E191 WeakPolarHBondContact O-CB 3.46Å; I187-E191 PolarHBondContact O-N 2.94Å
188I96.1Very high94Very high84 Ų84102 Ų10243%0.43154%0.536SS..Hα-helixtrans-58.6-47178.5-65.9168.4000110.5I184 T190 E191 D192I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.24Å; I184-I188 WeakPolarHBondContact O-CG1 3.39Å; I184-I188 PolarHBondContact O-N 2.99Å; I188-T190 VanDerWaalsContact C-N 3.31Å; I188-T190 PolarHBondContact O-N 3.24Å; I188-E191 PolarHBondContact O-N 3.15Å; I188-E191 VanDerWaalsContact O-N 3.17Å; I188-D192 WeakPolarHBondContact O-CB 3.44Å; I188-D192 PolarHBondContact O-N 2.89Å
189S96.4Very high94.1Very high76 Ų7697.9 Ų97.953%0.53152%0.521SS..Hα-helixtrans-61.1-39.5179.6-176.30000112.6K185 N186 I187 A193K185-S189 WeakPolarHBondContact O-CB 3.4Å; K185-S189 PolarHBondContact O-N 3.03Å; N186-S189 PolarHBondContact O-N 2.98Å; I187-S189 VanDerWaalsContact C-N 3.35Å; I187-S189 PolarHBondContact O-N 3.47Å; S189-A193 WeakPolarHBondContact O-CB 3.3Å; S189-A193 PolarHBondContact O-N 2.97Å; S189-A193 VanDerWaalsContact O-N 3.1Å
190T96.9Very high94Very high93 Ų93101 Ų10157%0.57153%0.529SS*.Hα-helixtrans-71.3-35.7176.459.80000112.4N186 I187 I188 K194N186-T190 VanDerWaalsContact O-CG2 3.28Å; N186-T190 WeakPolarHBondContact O-CG2 3.38Å; N186-T190 PolarHBondContact O-N 3.31Å; N186-T190 PolarHBondContact O-OG1 3.33Å; I187-T190 PolarHBondContact O-N 3Å; I187-T190 PolarHBondContact O-OG1 2.92Å; I188-T190 VanDerWaalsContact C-N 3.31Å; I188-T190 PolarHBondContact O-N 3.24Å; T190-K194 VanDerWaalsContact O-CB 3.27Å; T190-K194 WeakPolarHBondContact O-CB 3.44Å; T190-K194 PolarHBondContact O-N 3.35Å
191E96.5Very high93.7Very high125 Ų12599.8 Ų99.858%0.58452%0.52SS*.Hα-helixtrans-69.8-44177.3-173.6171.2-159.700111.5I187 I188 A193 K194 A195I187-E191 WeakPolarHBondContact O-CB 3.46Å; I187-E191 PolarHBondContact O-N 2.94Å; I188-E191 PolarHBondContact O-N 3.15Å; I188-E191 VanDerWaalsContact O-N 3.17Å; E191-A193 PolarHBondContact O-N 3.24Å; E191-K194 WeakPolarHBondContact O-CB 3.16Å; E191-K194 PolarHBondContact O-N 3.34Å; E191-A195 WeakPolarHBondContact O-CB 3.25Å; E191-A195 PolarHBondContact O-N 3.47Å
192D95.9Very high93Very high108 Ų10899.2 Ų99.258%0.57851%0.513SS*.Hα-helixtrans-61.5-44.3174.8-80.4-14.1000111.4I188 K194 A195 R196I188-D192 WeakPolarHBondContact O-CB 3.44Å; I188-D192 PolarHBondContact O-N 2.89Å; D192-K194 VanDerWaalsContact C-N 3.35Å; D192-K194 PolarHBondContact O-N 3.13Å; D192-A195 PolarHBondContact O-N 3.38Å; D192-R196 WeakPolarHBondContact O-CB 3.48Å; D192-R196 PolarHBondContact O-N 3.32Å
193A95.1Very high92Very high60 Ų60101.5 Ų101.550%0.49652%0.521SS..Hα-helixtrans-62.2-42.5175.800000111.7S189 E191 R196 L197S189-A193 WeakPolarHBondContact O-CB 3.3Å; S189-A193 PolarHBondContact O-N 2.97Å; S189-A193 VanDerWaalsContact O-N 3.1Å; E191-A193 PolarHBondContact O-N 3.24Å; A193-R196 PolarHBondContact O-N 3.47Å; A193-L197 WeakPolarHBondContact O-CB 3.49Å; A193-L197 PolarHBondContact O-N 2.88Å
194K96.4Very high90.8Very high142 Ų142100 Ų10062%0.61751%0.514SS*.Hα-helixtrans-64.1-43.2175.4-177.4-178.6178.8-1780111.8T190 E191 D192 L197 L198T190-K194 VanDerWaalsContact O-CB 3.27Å; T190-K194 WeakPolarHBondContact O-CB 3.44Å; T190-K194 PolarHBondContact O-N 3.35Å; E191-K194 WeakPolarHBondContact O-CB 3.16Å; E191-K194 PolarHBondContact O-N 3.34Å; D192-K194 VanDerWaalsContact C-N 3.35Å; D192-K194 PolarHBondContact O-N 3.13Å; K194-L197 PolarHBondContact O-N 2.95Å; K194-L198 HydrophobicContact CG-CD1 4.3Å; K194-L198 WeakPolarHBondContact O-CB 3.38Å; K194-L198 WeakPolarHBondContact O-CG 3.43Å; K194-L198 PolarHBondContact O-N 3.03Å
195A93.4Very high89.2Confident55 Ų55104.4 Ų104.446%0.45553%0.53SS..Hα-helixtrans-63.7-42.7177.700000111.4E191 D192 L198 A199E191-A195 WeakPolarHBondContact O-CB 3.25Å; E191-A195 PolarHBondContact O-N 3.47Å; D192-A195 PolarHBondContact O-N 3.38Å; A195-L198 PolarHBondContact O-N 3.48Å; A195-A199 WeakPolarHBondContact O-CB 3.37Å; A195-A199 PolarHBondContact O-N 3.39Å
196R93.3Very high87.5Confident197 Ų197104.1 Ų104.174%0.74353%0.529SS*.Hα-helixtrans-62.4-44.6175.2-173.1176.1179.11690.3112D192 A193 A199 E200D192-R196 WeakPolarHBondContact O-CB 3.48Å; D192-R196 PolarHBondContact O-N 3.32Å; A193-R196 PolarHBondContact O-N 3.47Å; R196-A199 PolarHBondContact O-N 2.95Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 3.23Å
197L90.7Very high85.6Confident92 Ų92105.4 Ų105.448%0.48254%0.536SS..Hα-helixtrans-62.6-42.6176.8-178.8157.6000111.5A193 K194 E200 Q201A193-L197 WeakPolarHBondContact O-CB 3.49Å; A193-L197 PolarHBondContact O-N 2.88Å; K194-L197 PolarHBondContact O-N 2.95Å; L197-E200 PolarHBondContact O-N 3.46Å; L197-Q201 HydrophobicContact CD2-CG 4.26Å; L197-Q201 WeakPolarHBondContact O-CG 3.33Å; L197-Q201 PolarHBondContact O-N 3.02Å
198L90.2Very high83.6Confident77 Ų77104.1 Ų104.140%0.40354%0.535SS..Hα-helixtrans-66-39.2175.6-74.2173000112.3K194 A195 Q201 Q202K194-L198 HydrophobicContact CG-CD1 4.3Å; K194-L198 WeakPolarHBondContact O-CB 3.38Å; K194-L198 WeakPolarHBondContact O-CG 3.43Å; K194-L198 PolarHBondContact O-N 3.03Å; A195-L198 PolarHBondContact O-N 3.48Å; L198-Q201 PolarHBondContact O-N 3.37Å; L198-Q202 WeakPolarHBondContact O-CB 3.39Å; L198-Q202 VanDerWaalsContact O-CG 3.29Å; L198-Q202 WeakPolarHBondContact O-CG 3.2Å; L198-Q202 PolarHBondContact O-N 3.33Å
199A89.5Confident81.5Confident45 Ų45106.7 Ų106.737%0.37255%0.545SS..Hα-helixtrans-64.7-43.1174.500000111.3A195 R196 Q202 N203A195-A199 WeakPolarHBondContact O-CB 3.37Å; A195-A199 PolarHBondContact O-N 3.39Å; R196-A199 PolarHBondContact O-N 2.95Å; A199-Q202 PolarHBondContact O-N 3.38Å; A199-N203 WeakPolarHBondContact O-CB 3.3Å; A199-N203 PolarHBondContact O-N 2.98Å; A199-N203 PolarHBondContact O-ND2 3.45Å
200E87.1Confident79.5Confident94 Ų94107.8 Ų107.844%0.43955%0.548SS..Hα-helixtrans-63.6-40.8175.3-167.1-173.315300111.5R196 L197 Q202 N203 K204R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 3.23Å; L197-E200 PolarHBondContact O-N 3.46Å; E200-Q202 VanDerWaalsContact C-N 3.35Å; E200-Q202 PolarHBondContact O-N 3.47Å; E200-N203 PolarHBondContact O-N 3.34Å; E200-K204 HydrophobicContact CG-CD 4.39Å; E200-K204 WeakPolarHBondContact O-CB 3.4Å; E200-K204 VanDerWaalsContact O-CG 3.26Å; E200-K204 WeakPolarHBondContact O-CG 3.29Å; E200-K204 PolarHBondContact O-N 2.7Å; E200-K204 WeakPolarHBondContact OE1-CE 3.48Å; E200-K204 IonicContact OE1-NZ 2.7Å; E200-K204 PolarHBondContact OE1-NZ 3.24Å
201Q84.9Confident77.5Confident101 Ų101109.4 Ų109.447%0.47256%0.563SS.*Hα-helixtrans-64.1-37.8173.6-74.9-174.21800112.7L197 L198 K205L197-Q201 HydrophobicContact CD2-CG 4.26Å; L197-Q201 WeakPolarHBondContact O-CG 3.33Å; L197-Q201 PolarHBondContact O-N 3.02Å; L198-Q201 PolarHBondContact O-N 3.37Å; Q201-K205 WeakPolarHBondContact O-CG 3.43Å; Q201-K205 PolarHBondContact O-N 2.95Å
202Q81Confident75.4Confident122 Ų122112.3 Ų112.357%0.5758%0.575SS**Hα-helixtrans-70.1-36.8175.7-73.8179.14100112.1L198 A199 E200 K205L198-Q202 WeakPolarHBondContact O-CB 3.39Å; L198-Q202 VanDerWaalsContact O-CG 3.29Å; L198-Q202 WeakPolarHBondContact O-CG 3.2Å; L198-Q202 PolarHBondContact O-N 3.33Å; A199-Q202 PolarHBondContact O-N 3.38Å; E200-Q202 VanDerWaalsContact C-N 3.35Å; E200-Q202 PolarHBondContact O-N 3.47Å; Q202-K205 PolarHBondContact O-N 3.04Å
203N74.5Confident73.3Confident82 Ų82112.4 Ų112.444%0.43958%0.579SS.*Hα-helixtrans-72.5-37.8176.1-67-15.4000111A199 E200 K205 K206 D207A199-N203 WeakPolarHBondContact O-CB 3.3Å; A199-N203 PolarHBondContact O-N 2.98Å; A199-N203 PolarHBondContact O-ND2 3.45Å; E200-N203 PolarHBondContact O-N 3.34Å; N203-K205 PolarHBondContact O-N 3.38Å; N203-K206 CarbonylContact O-C 3.53Å; N203-K206 WeakPolarHBondContact O-CA 3.29Å; N203-K206 PolarHBondContact O-N 3.4Å; N203-D207 WeakPolarHBondContact O-CB 3.36Å; N203-D207 PolarHBondContact O-N 3.41Å
204K67.4Low71.7Confident117 Ų117115 Ų11551%0.50959%0.591SS.*Hα-helixtrans-58.2-33.2171-77.7174.3-179.2170.50112.3E200 K206 S208E200-K204 HydrophobicContact CG-CD 4.39Å; E200-K204 WeakPolarHBondContact O-CB 3.4Å; E200-K204 VanDerWaalsContact O-CG 3.26Å; E200-K204 WeakPolarHBondContact O-CG 3.29Å; E200-K204 PolarHBondContact O-N 2.7Å; E200-K204 WeakPolarHBondContact OE1-CE 3.48Å; E200-K204 IonicContact OE1-NZ 2.7Å; E200-K204 PolarHBondContact OE1-NZ 3.24Å; K204-K206 PolarHBondContact O-N 3.38Å; K204-S208 WeakPolarHBondContact O-CA 3.4Å; K204-S208 WeakPolarHBondContact O-CB 3.47Å; K204-S208 PolarHBondContact O-N 3.09Å; K204-S208 PolarHBondContact O-OG 3.45Å
205K62.1Low69.9Low171 Ų171113.4 Ų113.474%0.74359%0.593SS**Hα-helixtrans-70.6-16.2173.3-69.2178.1-177.4-1760114.1Q201 Q202 N203Q201-K205 WeakPolarHBondContact O-CG 3.43Å; Q201-K205 PolarHBondContact O-N 2.95Å; Q202-K205 PolarHBondContact O-N 3.04Å; N203-K205 PolarHBondContact O-N 3.38Å
206K60.1Low68.3Low154 Ų154115.2 Ų115.267%0.6760%0.595SS**Hα-helixtrans-102.3-34.2178.4-65.4180-179.4176.90112.2N203 K204N203-K206 CarbonylContact O-C 3.53Å; N203-K206 WeakPolarHBondContact O-CA 3.29Å; N203-K206 PolarHBondContact O-N 3.4Å; K204-K206 PolarHBondContact O-N 3.38Å
207D56.5Low66.5Low129 Ų129114.7 Ų114.769%0.6960%0.603SS**Hα-helixtrans-97.2-4.7-180-65.9-25.5000112.5N203 E209N203-D207 WeakPolarHBondContact O-CB 3.36Å; N203-D207 PolarHBondContact O-N 3.41Å; D207-E209 PolarHBondContact O-N 3.4Å; D207-E209 VanDerWaalsContact O-N 3.09Å
208S51.6Low65Low62 Ų62114.5 Ų114.543%0.43462%0.615SS.*  trans-78.533.9165.178.30000112.6K204 T210K204-S208 WeakPolarHBondContact O-CA 3.4Å; K204-S208 WeakPolarHBondContact O-CB 3.47Å; K204-S208 PolarHBondContact O-N 3.09Å; K204-S208 PolarHBondContact O-OG 3.45Å; S208-T210 PolarHBondContact O-N 2.89Å
209E51.8Low63.3Low139 Ų139114.4 Ų114.465%0.6562%0.618SS**  trans-73.549.9148.3-149.193.5-132.800107.8D207 S211 T215D207-E209 PolarHBondContact O-N 3.4Å; D207-E209 VanDerWaalsContact O-N 3.09Å; E209-S211 PolarHBondContact O-N 2.83Å; E209-T215 PolarHBondContact OE1-OG1 3.3Å; E209-T215 VanDerWaalsContact OE1-OG1 3.09Å
210T54.3Low61.7Low98 Ų98119.4 Ų119.460%0.60164%0.638SS**  trans-70.8118.2168.152.40000106S208 F212S208-T210 PolarHBondContact O-N 2.89Å; T210-F212 PolarHBondContact O-N 3.23Å
211S55.2Low59.8Low127 Ų127124.3 Ų124.389%0.88865%0.654SS**THydrogen-bonded Turntrans-59.830.3-164.1620000117.7E209E209-S211 PolarHBondContact O-N 2.83Å
212F51.8Low58.5Low186 Ų186124.3 Ų124.382%0.81666%0.66SS**THydrogen-bonded Turntrans-136.7-6.6-173.2-161.7-107000115.4T210T210-F212 PolarHBondContact O-N 3.23Å
213V51.7Low57.3Low110 Ų110127.5 Ų127.567%0.66768%0.675SS**SBendtrans-136.8108.3177.7-173.10000110.6T215V213-T215 PolarHBondContact O-N 3.39Å
214P61.9Low56.4Low116 Ų116131.1 Ų131.175%0.75369%0.689SS**  trans-60.2126.7-176.6-27.736.1000114.4N216P214-N216 PolarHBondContact O-N 2.94Å
215T58.4Low55.9Low107 Ų107132.4 Ų132.466%0.65670%0.702SS**SBendtrans-72.118.3-179.240.50000114.6E209 V213E209-T215 PolarHBondContact OE1-OG1 3.3Å; E209-T215 VanDerWaalsContact OE1-OG1 3.09Å; V213-T215 PolarHBondContact O-N 3.39Å
216N60.9Low55.5Low93 Ų93134.3 Ų134.350%0.49770%0.704SS.*  trans-129.499.7178.7-168.5-8.8000110.7P214 A218 V219P214-N216 PolarHBondContact O-N 2.94Å; N216-A218 PolarHBondContact O-N 2.89Å; N216-A218 WeakPolarHBondContact OD1-CA 3.36Å; N216-A218 WeakPolarHBondContact OD1-CB 3.06Å; N216-A218 PolarHBondContact OD1-N 3.39Å; N216-V219 HydrophobicContact CB-CG2 3.67Å; N216-V219 VanDerWaalsContact CG-CG2 3.45Å; N216-V219 WeakPolarHBondContact O-CG2 3.26Å
217M55.7Low55.3Low187 Ų187134.8 Ų134.892%0.92171%0.707SS**G310 helixtrans-69.8-10.6172.9-70.4-163.1166.400113.2V219M217-V219 PolarHBondContact O-N 3.42Å
218A58.7Low54.9Low88 Ų88137.6 Ų137.673%0.72771%0.709SS**G310 helixtrans-81.11.9-179.400000113.9N216N216-A218 PolarHBondContact O-N 2.89Å; N216-A218 WeakPolarHBondContact OD1-CA 3.36Å; N216-A218 WeakPolarHBondContact OD1-CB 3.06Å; N216-A218 PolarHBondContact OD1-N 3.39Å
219V55.2Low54.9Low75 Ų75143.4 Ų143.446%0.45573%0.729SS.*G310 helixtrans-103.80.4178.2-139.40000112.7N216 M217 Y221N216-V219 HydrophobicContact CB-CG2 3.67Å; N216-V219 VanDerWaalsContact CG-CG2 3.45Å; N216-V219 WeakPolarHBondContact O-CG2 3.26Å; M217-V219 PolarHBondContact O-N 3.42Å; V219-Y221 HydrophobicContact CG1-CE2 4.07Å; V219-Y221 WeakPolarHBondContact O-CD2 3.44Å; V219-Y221 WeakPolarHBondContact O-CE2 2.94Å; V219-Y221 PolarHBondContact O-N 2.86Å
220N54.3Low54.8Low149 Ų149146 Ų14680%0.79774%0.741SS**SBendtrans-91.984.8171.9-148.64.4000109.3V222N220-V222 PolarHBondContact O-N 2.89Å
221Y47Very low54.4Low197 Ų197149.8 Ų149.877%0.77375%0.752SS**  trans-55.191.4-179-62.9-90.7000112.9V219V219-Y221 HydrophobicContact CG1-CE2 4.07Å; V219-Y221 WeakPolarHBondContact O-CD2 3.44Å; V219-Y221 WeakPolarHBondContact O-CE2 2.94Å; V219-Y221 PolarHBondContact O-N 2.86Å
222V57.8Low54.1Low101 Ų101151.2 Ų151.261%0.61275%0.748SS**  trans-146.495.8145.9-160.20000109.2N220 H224N220-V222 PolarHBondContact O-N 2.89Å; V222-H224 VanDerWaalsContact C-N 3.31Å; V222-H224 WeakPolarHBondContact CG1-CE1 3.47Å; V222-H224 VanDerWaalsContact CG1-ND1 3.3Å; V222-H224 WeakPolarHBondContact CG1-ND1 3.38Å; V222-H224 PolarHBondContact O-N 3.34Å
223Q55.9Low53.8Low189 Ų189149.5 Ų149.588%0.88375%0.748SS**  trans-65.782.5175.1-71.5177.8-29.700111N225Q223-N225 PolarHBondContact O-N 3.29Å; Q223-N225 VanDerWaalsContact O-N 3.13Å
224H55.1Low53.8Low158 Ų158148.4 Ų148.473%0.73175%0.751SS**  trans-84.751.2170.5-73.998.9000111.8V222V222-H224 VanDerWaalsContact C-N 3.31Å; V222-H224 WeakPolarHBondContact CG1-CE1 3.47Å; V222-H224 VanDerWaalsContact CG1-ND1 3.3Å; V222-H224 WeakPolarHBondContact CG1-ND1 3.38Å; V222-H224 PolarHBondContact O-N 3.34Å
225N57.3Low53.1Low144 Ų144148.5 Ų148.577%0.7775%0.751SS**  trans-129.130.8170-78.9-21.5000111.3Q223 F227Q223-N225 PolarHBondContact O-N 3.29Å; Q223-N225 VanDerWaalsContact O-N 3.13Å; N225-F227 VanDerWaalsContact C-N 3.3Å; N225-F227 PolarHBondContact O-N 2.91Å
226R54.1Low52.9Low211 Ų211150.7 Ų150.780%0.79676%0.757SS**SBendtrans-79.4-4.9-178.3-166.4164.7-178.5-103.8-0.8114.1
227F55.4Low52.5Low165 Ų165156.2 Ų156.272%0.72477%0.771SS**SBendtrans-138.54.9-167.7-83.6-79.4000117.6N225N225-F227 VanDerWaalsContact C-N 3.3Å; N225-F227 PolarHBondContact O-N 2.91Å
228Y48.8Very low52.5Low188 Ų188158.3 Ų158.374%0.73777%0.769SS**  trans-129.591.2179.2-62.1-75000111.1
229H51Low52.1Low184 Ų184161 Ų16185%0.85277%0.771SS**  168.498.6117.2-84.9-58.5000109.8
230E51.3Low52.2Low194 Ų194166.6 Ų166.691%0.90779%0.789SS**  trans-54.5143.1162.9-156160.7-16100110.6
231E44.1Very low52.2Low177 Ų177167.1 Ų167.183%0.82779%0.787SS**  trans-59.7141.9-170.1-49.6-179.3154.900112.9
232L50.6Low53Low156 Ų156165.7 Ų165.782%0.81779%0.787SS**  trans-164.297.5137.4-78.8-165.4000109.6
233N44.2Very low53.3Low151 Ų151167 Ų16781%0.80780%0.798SS**  trans6795.9148.2-57.1-39.5000119.7
234A52Low53.7Low87 Ų87166.5 Ų166.572%0.71979%0.793SS**  147.5130.3117.800000113.3I236A234-I236 PolarHBondContact O-N 2.83Å
235P46.8Very low54.1Low118 Ų118163.6 Ų163.677%0.76680%0.796SS**  trans-82.5102175.232.6-29.8000110.2R237P235-R237 VanDerWaalsContact C-N 3.28Å; P235-R237 PolarHBondContact O-N 3.2Å
236I53.9Low54.7Low152 Ų152167.7 Ų167.778%0.77980%0.801SS**  trans-73.989.7164.5-64170.3000107.5A234 R238A234-I236 PolarHBondContact O-N 2.83Å; I236-R238 HydrophobicContact CG2-CG 4.38Å; I236-R238 PolarHBondContact O-N 2.93Å
237R54.3Low55.3Low209 Ų209163.8 Ų163.879%0.78980%0.803SS**  trans-64.3100.9166.7-71.6-161172.3-161.8-0.2109.1P235 N239P235-R237 VanDerWaalsContact C-N 3.28Å; P235-R237 PolarHBondContact O-N 3.2Å; R237-N239 VanDerWaalsContact C-N 3.28Å; R237-N239 PolarHBondContact O-N 3.47Å
238R55.5Low55.6Low232 Ų232163.6 Ų163.688%0.87581%0.808SS**  trans-74.485.4163-72.1-179.1169.5164.8-1.6108.2I236 K240I236-R238 HydrophobicContact CG2-CG 4.38Å; I236-R238 PolarHBondContact O-N 2.93Å; R238-K240 VanDerWaalsContact C-N 3.33Å; R238-K240 PolarHBondContact O-N 3Å
239N49.8Very low56.3Low144 Ų144164.9 Ų164.977%0.7781%0.812SS**  trans-65.397.5162.4-80.1-22.1000107.8R237 E241R237-N239 VanDerWaalsContact C-N 3.28Å; R237-N239 PolarHBondContact O-N 3.47Å; N239-E241 PolarHBondContact O-N 3.07Å
240K56.6Low56.4Low193 Ų193163.6 Ų163.684%0.83982%0.816SS**  trans-87.587.2164.3-164.6167.4-175.7-178.40105.6R238 E242R238-K240 VanDerWaalsContact C-N 3.33Å; R238-K240 PolarHBondContact O-N 3Å; K240-E242 PolarHBondContact O-N 3.18Å
241E54.5Low56.9Low159 Ų159157.2 Ų157.274%0.74380%0.803SS**  trans-66113.2176.2-158.1177.5-174.800107.8N239N239-E241 PolarHBondContact O-N 3.07Å
242E65.1Low57.3Low167 Ų167154.8 Ų154.878%0.7880%0.796SS**  trans-65.1138.8173.8-66.7-176.4159.300109.4K240 K244K240-E242 PolarHBondContact O-N 3.18Å; E242-K244 PolarHBondContact O-N 2.62Å; E242-K244 VanDerWaalsContact O-N 3.08Å
243P63Low57.3Low130 Ų130153.9 Ų153.984%0.84480%0.797SS**  trans-64.7115.1-179.726.1-32.1000109.7A245P243-A245 PolarHBondContact O-N 3.34Å
244K64.1Low57.8Low177 Ų177155.2 Ų155.277%0.7780%0.798SS**PPolyproline II helixtrans-59.3121.7173.7-68.7174.4-177.8165.80109.6E242E242-K244 PolarHBondContact O-N 2.62Å; E242-K244 VanDerWaalsContact O-N 3.08Å
245A64.6Low58.3Low97 Ų97160.9 Ų160.980%0.80281%0.807SS**PPolyproline II helixtrans-60.2133.7171.800000110.3P243P243-A245 PolarHBondContact O-N 3.34Å
246R69.5Low58.7Low230 Ų230161.2 Ų161.287%0.86881%0.809SS**PPolyproline II helixtrans-72139.1175.7-61.3-179.2-177.1-164.81.1109.3L248R246-L248 PolarHBondContact O-N 3.38Å
247P67.1Low58.8Low129 Ų129162 Ų16284%0.83881%0.809SS**PPolyproline II helixtrans-66.7124.1177.726-31.9000110.6
248L60Low59.1Low161 Ų161157.7 Ų157.784%0.84381%0.808SS**PPolyproline II helixtrans-63.6126.5171.6-80.9144.2000109.9R246R246-L248 PolarHBondContact O-N 3.38Å
249R64.1Low59.1Low216 Ų216155.8 Ų155.882%0.81581%0.809SS**PPolyproline II helixtrans-87.2136.2171.2-164.2176.1-179118.1-1.9108.2G251R249-G251 PolarHBondContact O-N 3.49Å
250V54.2Low59.2Low156 Ų156160 Ų16095%0.94581%0.814SS**THydrogen-bonded Turntrans-63.6106178.8-179.10000108.6
251G61.6Low59Low61 Ų61155.6 Ų155.663%0.62981%0.808SS**THydrogen-bonded Turntrans148.9-15.217900000116.1R249 T253R249-G251 PolarHBondContact O-N 3.49Å; G251-T253 PolarHBondContact O-N 3.26Å; G251-T253 VanDerWaalsContact O-N 3.15Å
252D52.2Low59.1Low125 Ų125153.5 Ų153.567%0.66881%0.808SS**  trans-8689.4-177-63.9-27.7000111.3E254D252-E254 VanDerWaalsContact C-N 3.31Å; D252-E254 PolarHBondContact O-N 2.78Å
253T49.7Very low58.5Low137 Ų137151.3 Ų151.384%0.8481%0.808SS**  trans-8954175.756.60000112G251G251-T253 PolarHBondContact O-N 3.26Å; G251-T253 VanDerWaalsContact O-N 3.15Å
254E55.8Low57.8Low180 Ų180152 Ų15284%0.84181%0.805SS**SBendtrans-140.3122166.3-68.6-167.7170.800109.5D252D252-E254 VanDerWaalsContact C-N 3.31Å; D252-E254 PolarHBondContact O-N 2.78Å
255K61Low57.2Low205 Ų205155.3 Ų155.389%0.89181%0.812SS**  trans-55.9129179.7-91.9171.6174.4173.80109.9E257K255-E257 PolarHBondContact O-N 2.67Å
256P55.4Low56.7Low125 Ų125159.7 Ų159.781%0.81281%0.813SS**  trans-69.8115.8171.427.8-29000108.2
257E56.9Low56.1Low170 Ų170159.4 Ų159.479%0.79481%0.812SS**  trans-55.1142.1167.1-80.9-149.2151.800109.7K255 E259K255-E257 PolarHBondContact O-N 2.67Å; E257-E259 PolarHBondContact O-N 2.95Å; E257-E259 VanDerWaalsContact O-N 3.14Å
258P61Low55.7Low117 Ų117157.2 Ų157.276%0.7680%0.798SS**  trans-62121.4178.426-32000109.2R260P258-R260 PolarHBondContact O-N 2.88Å
259E54Low55.7Low192 Ų192155.1 Ų155.190%0.89780%0.804SS**  trans-47114.1174.2-71.4-168.7156.800109.5E257 S261E257-E259 PolarHBondContact O-N 2.95Å; E257-E259 VanDerWaalsContact O-N 3.14Å; E259-S261 PolarHBondContact O-N 3.35Å
260R52.1Low55.5Low233 Ų233151.1 Ų151.188%0.87980%0.799SS**  trans-54.6113171.6-78.7178.4176.4-178.6-0.9107.8P258P258-R260 PolarHBondContact O-N 2.88Å
261S52.4Low55.6Low101 Ų101150.3 Ų150.371%0.70679%0.785SS**  trans-40.8138.7166.353.20000110.6E259E259-S261 PolarHBondContact O-N 3.35Å
262P57.2Low55.1Low115 Ų115155.1 Ų155.175%0.74779%0.788SS**  trans-55.5134.9-173.7-1.64000109N264P262-N264 PolarHBondContact O-N 2.81Å
263P52.4Low55.9Low121 Ų121152.8 Ų152.879%0.78679%0.787SS**  trans-55.5117.3-173.922.4-31.8000108.2R265P263-R265 PolarHBondContact O-N 3Å; P263-R265 VanDerWaalsContact O-N 3.07Å
264N47.7Very low57Low144 Ų144151.8 Ų151.877%0.7778%0.78SS**  trans-41.3118.6173.5-156.7-5000107.4P262 K266P262-N264 PolarHBondContact O-N 2.81Å; N264-K266 PolarHBondContact O-N 2.75Å
265R53.3Low58.1Low246 Ų246149 Ų14993%0.92877%0.771SS**  trans-56.778.5-172.8-76.8178.1173.3151.1-0.7110.6P263 R267P263-R265 PolarHBondContact O-N 3Å; P263-R265 VanDerWaalsContact O-N 3.07Å; R265-R267 PolarHBondContact O-N 3.25Å
266K52.9Low58.9Low189 Ų189144.1 Ų144.182%0.82276%0.755SS**  trans-76117.7167.4-72.2-160.8175.9-173.40105.6N264N264-K266 PolarHBondContact O-N 2.75Å
267R57.5Low59.9Low224 Ų224145.1 Ų145.185%0.84574%0.744SS**  trans-45.3130.7174.2-66.7175.5173.4171.7-4.6108.6R265 A269R265-R267 PolarHBondContact O-N 3.25Å; R267-A269 PolarHBondContact O-N 3.28Å
268P59.1Low61.2Low84 Ų84141.9 Ų141.955%0.54573%0.728SS.*  trans-58.1136.2172.324.9-30.8000108.4N270P268-N270 PolarHBondContact O-N 3.09Å
269A60.2Low62.2Low116 Ų116143.3 Ų143.396%0.95972%0.719SS**THydrogen-bonded Turntrans-68.921.9-171.500000114.6R267R267-A269 PolarHBondContact O-N 3.28Å
270N58.9Low63.5Low132 Ų132140.9 Ų140.971%0.70671%0.708SS**THydrogen-bonded Turntrans-140.415.2-168.1-149.78.1000114.6P268 K272P268-N270 PolarHBondContact O-N 3.09Å; N270-K272 PolarHBondContact O-N 3Å
271E55.5Low64.9Low139 Ų139136.2 Ų136.265%0.6569%0.694SS**  trans-87.4101.2179.5-96.9171.9179.200112.3
272K52.3Low66.3Low162 Ų162137.4 Ų137.470%0.70469%0.687SS**  trans-65.6140.8166.6-61.1165.7-178.1178.40109.1N270N270-K272 PolarHBondContact O-N 3Å
273A69.1Low67.7Low77 Ų77138.2 Ų138.264%0.63668%0.679SS**  trans46.9123.3171.200000117.9D275 D276A273-D275 PolarHBondContact O-N 2.99Å; A273-D276 PolarHBondContact O-N 2.95Å
274T72.2Confident69.2Low115 Ų115140.6 Ų140.671%0.70668%0.677SS**Hα-helixtrans-50.3-19.9172.911.80000115Y277 H278T274-Y277 PolarHBondContact O-N 2.72Å; T274-H278 PolarHBondContact O-CD2 2.99Å; T274-H278 PolarHBondContact O-N 3.02Å
275D79Confident70.7Confident121 Ų121139.8 Ų139.865%0.64767%0.67SS**Hα-helixtrans-67.7-39.8-177-160.634.2000113.1A273 Y277 H278 Y279A273-D275 PolarHBondContact O-N 2.99Å; D275-Y277 VanDerWaalsContact C-N 3.3Å; D275-Y277 PolarHBondContact O-N 2.97Å; D275-H278 PolarHBondContact O-N 3.26Å; D275-H278 VanDerWaalsContact O-N 3.09Å; D275-Y279 WeakPolarHBondContact O-CB 3.12Å; D275-Y279 PolarHBondContact O-N 3.37Å
276D77.4Confident71.9Confident103 Ų103131.9 Ų131.955%0.55165%0.646SS**Hα-helixtrans-63.3-36.8178.3-87.1-16.5000111.9A273 H278 Y279 E280A273-D276 PolarHBondContact O-N 2.95Å; D276-H278 PolarHBondContact O-N 3.05Å; D276-Y279 PolarHBondContact O-N 2.9Å; D276-E280 PolarHBondContact O-N 3.29Å
277Y77.5Confident73Confident147 Ų147133.2 Ų133.258%0.57665%0.646SS**Hα-helixtrans-62.1-42.3174.2172.3-97.2000112T274 D275 K281T274-Y277 PolarHBondContact O-N 2.72Å; D275-Y277 VanDerWaalsContact C-N 3.3Å; D275-Y277 PolarHBondContact O-N 2.97Å; Y277-K281 WeakPolarHBondContact O-CB 3.3Å; Y277-K281 PolarHBondContact O-N 3.34Å; Y277-K281 VanDerWaalsContact O-N 3.13Å
278H82.8Confident73.4Confident101 Ų101133.2 Ų133.247%0.46865%0.646SS.*Hα-helixtrans-72.8-37179.1-70.8-60.7000111.8T274 D275 D276 K281 F282T274-H278 PolarHBondContact O-CD2 2.99Å; T274-H278 PolarHBondContact O-N 3.02Å; D275-H278 PolarHBondContact O-N 3.26Å; D275-H278 VanDerWaalsContact O-N 3.09Å; D276-H278 PolarHBondContact O-N 3.05Å; H278-K281 PolarHBondContact O-N 3.03Å; H278-F282 PolarHBondContact O-N 3.36Å
279Y82Confident73Confident148 Ų148142.4 Ų142.458%0.5867%0.672SS**Hα-helixtrans-62.7-46174.6-175.7-112.6000112.2D275 D276 K281 F282 K283D275-Y279 WeakPolarHBondContact O-CB 3.12Å; D275-Y279 PolarHBondContact O-N 3.37Å; D276-Y279 PolarHBondContact O-N 2.9Å; Y279-K281 PolarHBondContact O-N 3.09Å; Y279-F282 PolarHBondContact O-N 3.14Å; Y279-K283 WeakPolarHBondContact O-CB 3.11Å; Y279-K283 PolarHBondContact O-N 2.9Å
280E81.6Confident73.6Confident140 Ų140143.8 Ų143.865%0.65466%0.657SS**Hα-helixtrans-63.5-40.4174.7-78.5-138.5143.800112.6D276 F282 K283 K284D276-E280 PolarHBondContact O-N 3.29Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.17Å; E280-K283 PolarHBondContact O-N 3.19Å; E280-K284 VanDerWaalsContact O-CB 3.3Å; E280-K284 WeakPolarHBondContact O-CB 3.42Å; E280-K284 PolarHBondContact O-N 3.08Å
281K82Confident74.4Confident135 Ų135144.4 Ų144.459%0.58766%0.655SS**Hα-helixtrans-60.4-44.1176.4-172.6-173.8177.4-1700111.1Y277 H278 Y279 K284 M285Y277-K281 WeakPolarHBondContact O-CB 3.3Å; Y277-K281 PolarHBondContact O-N 3.34Å; Y277-K281 VanDerWaalsContact O-N 3.13Å; H278-K281 PolarHBondContact O-N 3.03Å; Y279-K281 PolarHBondContact O-N 3.09Å; K281-K284 PolarHBondContact O-N 3.26Å; K281-M285 PolarHBondContact O-N 3.32Å; K281-M285 VanDerWaalsContact O-N 3.09Å
282F82Confident75.4Confident126 Ų126144.7 Ų144.755%0.55366%0.655SS**Hα-helixtrans-62.8-48175.7176.9-98.7000111.7H278 Y279 E280 K284 M285 N286H278-F282 PolarHBondContact O-N 3.36Å; Y279-F282 PolarHBondContact O-N 3.14Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.17Å; F282-K284 VanDerWaalsContact C-N 3.29Å; F282-K284 PolarHBondContact O-N 3.43Å; F282-M285 PolarHBondContact O-N 3.13Å; F282-N286 WeakPolarHBondContact CE1-ND2 3.46Å; F282-N286 VanDerWaalsContact CE2-ND2 3.25Å; F282-N286 WeakPolarHBondContact CE2-ND2 3.33Å; F282-N286 WeakPolarHBondContact CZ-ND2 3.1Å; F282-N286 PolarHBondContact O-N 2.86Å; F282-N286 VanDerWaalsContact O-N 3.15Å; F282-N286 PolarHBondContact O-ND2 3.02Å
283K86.2Confident76.8Confident133 Ų133143.6 Ų143.658%0.57865%0.652SS**Hα-helixtrans-59.7-39.2177.7-171.8178.5177.9176.40112.3Y279 E280 R287Y279-K283 WeakPolarHBondContact O-CB 3.11Å; Y279-K283 PolarHBondContact O-N 2.9Å; E280-K283 PolarHBondContact O-N 3.19Å; K283-R287 PolarHBondContact O-N 3.3Å
284K84.3Confident77.3Confident171 Ų171147.8 Ų147.874%0.74365%0.653SS**Hα-helixtrans-72-32.9-179.8-161.7171-171.6168.20112.8E280 K281 F282E280-K284 VanDerWaalsContact O-CB 3.3Å; E280-K284 WeakPolarHBondContact O-CB 3.42Å; E280-K284 PolarHBondContact O-N 3.08Å; K281-K284 PolarHBondContact O-N 3.26Å; F282-K284 VanDerWaalsContact C-N 3.29Å; F282-K284 PolarHBondContact O-N 3.43Å
285M79.4Confident77.6Confident127 Ų127150 Ų15063%0.62665%0.649SS**Hα-helixtrans-68.3-40.1175.3-168.7173.174.100111.6K281 F282 R287K281-M285 PolarHBondContact O-N 3.32Å; K281-M285 VanDerWaalsContact O-N 3.09Å; F282-M285 PolarHBondContact O-N 3.13Å; M285-R287 VanDerWaalsContact C-N 3.29Å; M285-R287 PolarHBondContact O-N 3.15Å
286N78.2Confident77.5Confident80 Ų80152.1 Ų152.143%0.42865%0.65SS.*Hα-helixtrans-79.2-6.3179.8-69.5-58.2000114.4F282 R288F282-N286 WeakPolarHBondContact CE1-ND2 3.46Å; F282-N286 VanDerWaalsContact CE2-ND2 3.25Å; F282-N286 WeakPolarHBondContact CE2-ND2 3.33Å; F282-N286 WeakPolarHBondContact CZ-ND2 3.1Å; F282-N286 PolarHBondContact O-N 2.86Å; F282-N286 VanDerWaalsContact O-N 3.15Å; F282-N286 PolarHBondContact O-ND2 3.02Å; N286-R288 PolarHBondContact O-N 3.3Å
287R74.9Confident77.5Confident217 Ų217155.8 Ų155.882%0.81966%0.657SS**THydrogen-bonded Turntrans-83.36.4176.4-156.4159.7103.4151.82.6113.8K283 M285K283-R287 PolarHBondContact O-N 3.3Å; M285-R287 VanDerWaalsContact C-N 3.29Å; M285-R287 PolarHBondContact O-N 3.15Å
288R66.1Low77.5Confident224 Ų224156.6 Ų156.685%0.84566%0.664SS**THydrogen-bonded Turntrans-11322177.9-73.2-142.2-164.9-104.58.2113.7N286N286-R288 PolarHBondContact O-N 3.3Å
289Y51.1Low77.1Confident277 Ų277161.6 Ų161.6100%1.08668%0.682SS**  trans-131.50164.5-70.7-75.9000109.3

Retrieved 289 of 289 residues in 123.3 ms (Link to these results)