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Splicing factor C9orf78 homolog

Plays a role in pre-mRNA splicing by promoting usage of the upstream 3'-splice site at alternative NAGNAG splice sites; these are sites featuring alternative acceptor motifs separated by only a few nucleotides (By similarity). May also modulate exon inclusion events (By similarity). PPlays a role in spliceosomal remodeling by displacing WBP4 from SNRNP200 and may act to inhibit SNRNP200 helicase activity (By similarity). Binds U5 snRNA (By similarity). Required for proper chromosome segregation (By similarity). Not required for splicing of shelterin components (By similarity).

AlphaFold DB , UniProt , Accession Q3TQI7, Species MOUSE (Mus musculus, Mouse), Gene n/a, 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 40 ms (Link to these results)