A0A087XAB4_POEFO Loading...

SNW domain-containing protein 1

Involved in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A087XAB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 536 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
1M47.9Very low67.2Low234 Ų234127.8 Ų127.8100%1.15374%0.744SS**  0128.10-62.5-157.7-158.100107.6
2S61.8Low67.1Low73 Ų73131.6 Ų131.651%0.5175%0.749SS.*  trans-84.1137.2-173174.40000111T4 S5S2-T4 WeakPolarHBondContact CB-OG1 3.48Å; S2-T4 PolarHBondContact O-N 3.5Å; S2-T4 PolarHBondContact OG-N 3.28Å; S2-T4 PolarHBondContact OG-OG1 2.99Å; S2-S5 PolarHBondContact O-N 3.37Å; S2-S5 PolarHBondContact O-OG 3.48Å
3L59Low67.5Low151 Ų151127.5 Ų127.579%0.79172%0.723SS**G310 helixtrans-56.1-15.2175.1-79.9161000113.8S5 F6L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 3.33Å; L3-F6 PolarHBondContact O-N 3.24Å
4T65.6Low67.9Low115 Ų115122.9 Ų122.971%0.70670%0.703SS**G310 helixtrans-70.9-13.6179.757.60000114.4S2S2-T4 WeakPolarHBondContact CB-OG1 3.48Å; S2-T4 PolarHBondContact O-N 3.5Å; S2-T4 PolarHBondContact OG-N 3.28Å; S2-T4 PolarHBondContact OG-OG1 2.99Å
5S73.6Confident68.2Low88 Ų88124.9 Ų124.962%0.61570%0.704SS**G310 helixtrans-89-7.6178.8660000114.5S2 L3S2-S5 PolarHBondContact O-N 3.37Å; S2-S5 PolarHBondContact O-OG 3.48Å; L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 3.33Å
6F73.9Confident68.5Low173 Ų173125 Ų12576%0.75970%0.702SS**SBendtrans-109.8-3.3-176.1-78.1-80000114.1L3L3-F6 PolarHBondContact O-N 3.24Å
7L72.8Confident68.9Low133 Ų133123.4 Ų123.470%0.69669%0.687SS**SBendtrans-100.8140.4177.6-64.7175.3000110.5
8P73.8Confident69.1Low117 Ų117121.4 Ų121.476%0.7668%0.675SS**PPolyproline II helixtrans-60.6145.7173.926-33000110.3
9A69.8Low69.4Low86 Ų86119.9 Ų119.971%0.71166%0.662SS**PPolyproline II helixtrans-56.9133.6179.800000110.4T11A9-T11 PolarHBondContact O-N 2.76Å
10P71.1Confident69.8Low92 Ų92116.4 Ų116.460%0.59765%0.65SS**PPolyproline II helixtrans-61.5131.2179.824-31.9000110.2Q12P10-Q12 VanDerWaalsContact C-N 3.27Å; P10-Q12 PolarHBondContact O-N 3.38Å
11T69.9Low70Confident144 Ų144116.5 Ų116.588%0.88365%0.645SS**SBendtrans-77.5-11.3-177.750.60000113.7A9A9-T11 PolarHBondContact O-N 2.76Å
12Q66.6Low71.2Confident173 Ų173112.1 Ų112.181%0.80862%0.622SS**SBendtrans-115.2102.9174-71.3-176.7-14.500108.9P10P10-Q12 VanDerWaalsContact C-N 3.27Å; P10-Q12 PolarHBondContact O-N 3.38Å
13L72.1Confident71.7Confident79 Ų79115.2 Ų115.241%0.41463%0.626SS.*  trans-79.7137171.4-67.5168.3000109Q17 L18L13-Q17 HydrophobicContact CB-CB 4.31Å; L13-Q17 HydrophobicContact CD2-CB 4.17Å; L13-L18 HydrophobicContact CB-CD2 4.28Å; L13-L18 HydrophobicContact CB-CG 4.04Å; L13-L18 HydrophobicContact CD1-CD2 3.99Å
14S73.3Confident72.3Confident63 Ų63112.9 Ų112.944%0.44161%0.614SS.*  trans-70.3158170.363.50000110.6D16 Q17 L18S14-D16 PolarHBondContact O-N 3.47Å; S14-Q17 WeakPolarHBondContact O-CB 3.32Å; S14-Q17 PolarHBondContact O-N 3.44Å; S14-Q17 WeakPolarHBondContact OG-CG 3.39Å; S14-L18 PolarHBondContact O-N 3.26Å; S14-L18 VanDerWaalsContact O-N 3.12Å
15Q71.9Confident72.4Confident153 Ų153117 Ų11772%0.71562%0.617SS**Hα-helixtrans-58-34.2-177.5-169.5150.4-13.100112.9Q17 L18 E19Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.43Å; Q15-L18 PolarHBondContact O-N 2.97Å; Q15-E19 PolarHBondContact O-N 3.04Å
16D72.4Confident72Confident126 Ų126115.6 Ų115.667%0.67461%0.61SS**Hα-helixtrans-66.1-32.4174.4-70.5-13000113.1S14 A20S14-D16 PolarHBondContact O-N 3.47Å; D16-A20 WeakPolarHBondContact O-CB 3.49Å; D16-A20 PolarHBondContact O-N 2.87Å; D16-A20 VanDerWaalsContact O-N 3.12Å
17Q75.1Confident71.4Confident97 Ų97114.4 Ų114.445%0.45361%0.607SS.*Hα-helixtrans-75.9-35.8177.6-71.7176.7-24.400111.7L13 S14 Q15 A20 E21L13-Q17 HydrophobicContact CB-CB 4.31Å; L13-Q17 HydrophobicContact CD2-CB 4.17Å; S14-Q17 WeakPolarHBondContact O-CB 3.32Å; S14-Q17 PolarHBondContact O-N 3.44Å; S14-Q17 WeakPolarHBondContact OG-CG 3.39Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.43Å; Q17-A20 PolarHBondContact O-N 3.29Å; Q17-E21 WeakPolarHBondContact O-CB 3.26Å; Q17-E21 PolarHBondContact O-N 3.37Å
18L73.4Confident70.7Confident88 Ų88115.6 Ų115.646%0.46161%0.607SS.*Hα-helixtrans-64.4-43.3173-73.7167000111.4L13 S14 Q15 A20 E21 E22L13-L18 HydrophobicContact CB-CD2 4.28Å; L13-L18 HydrophobicContact CB-CG 4.04Å; L13-L18 HydrophobicContact CD1-CD2 3.99Å; S14-L18 PolarHBondContact O-N 3.26Å; S14-L18 VanDerWaalsContact O-N 3.12Å; Q15-L18 PolarHBondContact O-N 2.97Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.05Å; L18-E21 PolarHBondContact O-N 2.9Å; L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 3.11Å
19E75.4Confident69.7Low93 Ų93114.1 Ų114.144%0.43560%0.599SS.*Hα-helixtrans-64.6-35.9175.1-79.3-167.9-178.700112.8Q15 K23Q15-E19 PolarHBondContact O-N 3.04Å; E19-K23 WeakPolarHBondContact O-CB 3.02Å; E19-K23 VanDerWaalsContact O-CG 3.3Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 3.01Å
20A76Confident68.9Low50 Ų50118.2 Ų118.241%0.41360%0.603SS.*Hα-helixtrans-68.1-40.3176.400000111.9D16 Q17 L18 K23 L24D16-A20 WeakPolarHBondContact O-CB 3.49Å; D16-A20 PolarHBondContact O-N 2.87Å; D16-A20 VanDerWaalsContact O-N 3.12Å; Q17-A20 PolarHBondContact O-N 3.29Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.05Å; A20-K23 PolarHBondContact O-N 3.03Å; A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 WeakPolarHBondContact O-CG 3.45Å; A20-L24 PolarHBondContact O-N 3.15Å
21E74.6Confident67.9Low119 Ų119118.2 Ų118.256%0.55661%0.605SS**Hα-helixtrans-70.1-38.2177.7-147.2-176.2-169.800111.6Q17 L18 L24 R25Q17-E21 WeakPolarHBondContact O-CB 3.26Å; Q17-E21 PolarHBondContact O-N 3.37Å; L18-E21 PolarHBondContact O-N 2.9Å; E21-L24 PolarHBondContact O-N 2.7Å; E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.39Å
22E73.4Confident67Low142 Ų142117.5 Ų117.566%0.66460%0.601SS**Hα-helixtrans-66.1-39.8174.8-163.7173.5-162.500111.7L18 R25 A26L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 3.11Å; E22-R25 PolarHBondContact O-N 3.36Å; E22-A26 VanDerWaalsContact O-CB 3.32Å; E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 2.98Å
23K72.3Confident66Low137 Ų137113.5 Ų113.560%0.59660%0.597SS**Hα-helixtrans-62.3-41.9171.4-79.6172.1-176.8162.70112.5E19 A20 R25 A26 Q27E19-K23 WeakPolarHBondContact O-CB 3.02Å; E19-K23 VanDerWaalsContact O-CG 3.3Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 3.01Å; A20-K23 PolarHBondContact O-N 3.03Å; K23-R25 VanDerWaalsContact C-N 3.34Å; K23-A26 PolarHBondContact O-N 3.22Å; K23-Q27 WeakPolarHBondContact O-CG 3.46Å; K23-Q27 PolarHBondContact O-N 3.27Å
24L71.2Confident64.7Low102 Ų102117.9 Ų117.953%0.53462%0.62SS.*Hα-helixtrans-66.5-36.2175.8-82.9161.6000112.1A20 E21 Q27 K28A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 WeakPolarHBondContact O-CG 3.45Å; A20-L24 PolarHBondContact O-N 3.15Å; E21-L24 PolarHBondContact O-N 2.7Å; L24-Q27 PolarHBondContact O-N 2.82Å; L24-K28 PolarHBondContact O-N 3.14Å
25R68.6Low63.3Low202 Ų202121.1 Ų121.176%0.76264%0.637SS**Hα-helixtrans-72.6-37.7177.4-148.9175-171.1-177.82.9111.9E21 E22 K23 Q27 K28 S29E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.39Å; E22-R25 PolarHBondContact O-N 3.36Å; K23-R25 VanDerWaalsContact C-N 3.34Å; R25-Q27 VanDerWaalsContact C-N 3.34Å; R25-K28 PolarHBondContact O-N 2.91Å; R25-S29 PolarHBondContact O-N 3.28Å; R25-S29 PolarHBondContact O-OG 2.98Å
26A64.6Low62.2Low58 Ų58118 Ų11848%0.47964%0.637SS.*Hα-helixtrans-66.7-32.9171.700000112.5E22 K23 S29E22-A26 VanDerWaalsContact O-CB 3.32Å; E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 2.98Å; K23-A26 PolarHBondContact O-N 3.22Å; A26-S29 PolarHBondContact O-OG 3.44Å; A26-S29 VanDerWaalsContact O-OG 3.14Å
27Q61.8Low61.3Low148 Ų148116.9 Ų116.969%0.69264%0.639SS**Hα-helixtrans-71-37.1171-80.7-174.1-21.700112.6K23 L24 R25K23-Q27 WeakPolarHBondContact O-CG 3.46Å; K23-Q27 PolarHBondContact O-N 3.27Å; L24-Q27 PolarHBondContact O-N 2.82Å; R25-Q27 VanDerWaalsContact C-N 3.34Å
28K57.2Low60.5Low159 Ų159121.2 Ų121.269%0.69165%0.652SS**Hα-helixtrans-73.6-28.4177-82.7-179.2175.9177.20113.8L24 R25 H30 S31L24-K28 PolarHBondContact O-N 3.14Å; R25-K28 PolarHBondContact O-N 2.91Å; K28-H30 PolarHBondContact O-N 3.33Å; K28-S31 PolarHBondContact O-N 2.86Å; K28-S31 PolarHBondContact O-OG 3.29Å
29S52.2Low60.3Low86 Ų86125.1 Ų125.160%0.60166%0.66SS**THydrogen-bonded Turntrans-74.4-4178.463.70000114.3R25 A26R25-S29 PolarHBondContact O-N 3.28Å; R25-S29 PolarHBondContact O-OG 2.98Å; A26-S29 PolarHBondContact O-OG 3.44Å; A26-S29 VanDerWaalsContact O-OG 3.14Å
30H53.2Low60.4Low172 Ų172127.8 Ų127.880%0.79667%0.673SS**THydrogen-bonded Turntrans-97.55.1173.3-103.755.6000114.5K28K28-H30 PolarHBondContact O-N 3.33Å
31S51.1Low60.9Low92 Ų92127 Ų12764%0.64366%0.663SS**  trans-104.534.9-176.781.30000115K28K28-S31 PolarHBondContact O-N 2.86Å; K28-S31 PolarHBondContact O-OG 3.29Å
32T50.1Low61.5Low129 Ų129123 Ų12379%0.79165%0.648SS**  trans-9882.8155.953.70000108L34T32-L34 PolarHBondContact O-N 3Å
33A46Very low62.2Low88 Ų88120.4 Ų120.473%0.72764%0.643SS**  trans-62.3102.4171.700000108.8V35A33-V35 VanDerWaalsContact C-N 3.32Å; A33-V35 PolarHBondContact O-N 3.47Å
34L45.3Very low62.8Low171 Ų171122.6 Ų122.690%0.89565%0.649SS**  trans-60.9102.4155.4-76.3165.6000106.1T32 A36T32-L34 PolarHBondContact O-N 3Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 2.95Å
35V43.7Very low63.5Low132 Ų132120.3 Ų120.380%0.865%0.65SS**  trans-66.593.2171179.70000106.6A33 S37A33-V35 VanDerWaalsContact C-N 3.32Å; A33-V35 PolarHBondContact O-N 3.47Å; V35-S37 PolarHBondContact O-N 3.3Å
36A49.3Very low64.3Low86 Ų86117.5 Ų117.571%0.71165%0.645SS**  trans-61.7108164.800000106.7L34 R38L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 2.95Å; A36-R38 PolarHBondContact O-N 2.96Å
37S52.8Low65.3Low103 Ų103116.7 Ų116.772%0.7263%0.63SS**  trans-59.2103.1171.356.70000107.8V35 R39V35-S37 PolarHBondContact O-N 3.3Å; S37-R39 PolarHBondContact O-N 2.84Å; S37-R39 VanDerWaalsContact O-N 3.11Å
38R58.5Low66.2Low189 Ų189119.2 Ų119.271%0.71364%0.639SS**  trans-58.1117.5171.8-78.4179.8159.4-157.1-11.2107.5A36 E40A36-R38 PolarHBondContact O-N 2.96Å; R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 HydrophobicContact CB-CG 4.26Å; R38-E40 PolarHBondContact O-N 2.8Å
39R68.1Low67.4Low170 Ų170115.8 Ų115.864%0.64265%0.648SS**  trans-72.193.8166.7-82.7-176.8173.6179.51.5107.2S37S37-R39 PolarHBondContact O-N 2.84Å; S37-R39 VanDerWaalsContact O-N 3.11Å
40E79.3Confident69.1Low149 Ų149114.7 Ų114.770%0.69663%0.631SS**PPolyproline II helixtrans-80.4136.3175-67.4-175.217500109.9R38R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 HydrophobicContact CB-CG 4.26Å; R38-E40 PolarHBondContact O-N 2.8Å
41P85.7Confident70.8Confident33 Ų33109.3 Ų109.321%0.21461%0.61CS.*PPolyproline II helixtrans-64.7147.1176.727-34.1000110.3W50 F64P41-W50 HydrophobicContact CB-CH2 3.41Å; P41-W50 VanDerWaalsContact CB-CH2 3.41Å; P41-W50 HydrophobicContact CB-CZ2 3.98Å; P41-W50 HydrophobicContact CB-CZ3 4.07Å; P41-F64 HydrophobicContact CB-CE2 4.24Å; P41-F64 HydrophobicContact CB-CZ 3.72Å; P41-F64 HydrophobicContact CG-CZ 3.97Å
42P87.3Confident72.6Confident36 Ų36105.3 Ų105.323%0.23458%0.582CS.*PPolyproline II helixtrans-53.8146.9173.2-22.131.3000110.8H46 R47 W50P42-H46 HydrophobicContact CB-CB 4.31Å; P42-R47 HydrophobicContact CB-CG 3.96Å; P42-R47 HydrophobicContact CG-CG 4.47Å; P42-R47 PolarHBondContact O-NE 3.37Å; P42-R47 PolarHBondContact O-NH2 3.07Å; P42-R47 VanDerWaalsContact O-NH2 3.15Å; P42-W50 HydrophobicContact CG-CD2 3.96Å; P42-W50 HydrophobicContact CG-CE3 4.27Å; P42-W50 HydrophobicContact CG-CG 4.09Å
43P87.3Confident74.3Confident87 Ų87110 Ų11057%0.56559%0.585SS**PPolyproline II helixtrans-64.916217726.7-33.8000111.3G45 H46P43-G45 PolarHBondContact O-N 2.86Å; P43-H46 HydrophobicContact CG-CB 4.33Å; P43-H46 PolarHBondContact O-N 2.87Å
44Y86.2Confident76.2Confident182 Ų182108 Ų10871%0.71457%0.566SS**THydrogen-bonded Turntrans-53.3139.2176.6-177.5-109.5000111.1H46Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.27Å
45G84.2Confident78.2Confident55 Ų55104.3 Ų104.357%0.56755%0.546SS*.THydrogen-bonded Turntrans88.4-21.1-173.200000115.3P43P43-G45 PolarHBondContact O-N 2.86Å
46H86.1Confident80.2Confident143 Ų143104.6 Ų104.666%0.66254%0.539SS*.  trans-107.716.3-178.6-61.583.9000113.6P42 P43 Y44P42-H46 HydrophobicContact CB-CB 4.31Å; P43-H46 HydrophobicContact CG-CB 4.33Å; P43-H46 PolarHBondContact O-N 2.87Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.27Å
47R85Confident82.1Confident41 Ų41101.5 Ų101.516%0.15551%0.511CS..  trans-97.16.9-176.3-67.6167.9-177.4160.22.4114.3P42 G49 W50 F64 E66P42-R47 HydrophobicContact CB-CG 3.96Å; P42-R47 HydrophobicContact CG-CG 4.47Å; P42-R47 PolarHBondContact O-NE 3.37Å; P42-R47 PolarHBondContact O-NH2 3.07Å; P42-R47 VanDerWaalsContact O-NH2 3.15Å; R47-G49 PolarHBondContact O-N 3.08Å; R47-W50 HydrophobicContact CB-CE3 4.15Å; R47-W50 HydrophobicContact CG-CE3 3.91Å; R47-W50 HydrophobicContact CG-CZ3 4.2Å; R47-W50 PolarHBondContact O-N 2.93Å; R47-F64 VanDerWaalsContact NH1-CE1 3.34Å; R47-F64 VanDerWaalsContact NH2-CE1 3.33Å; R47-E66 WeakPolarHBondContact CD-OE1 3.43Å; R47-E66 IonicContact CZ-OE1 3.7Å; R47-E66 IonicContact NE-OE1 3.76Å; R47-E66 IonicContact NH1-OE1 3.55Å; R47-E66 PolarHBondContact NH1-OE1 3.48Å
48K82.3Confident83.8Confident201 Ų20197.2 Ų97.287%0.87448%0.479SS*.THydrogen-bonded Turntrans-65.7121.4178.5-70.6-172.3178.3-178.40110W50K48-W50 VanDerWaalsContact C-N 3.29Å; K48-W50 PolarHBondContact O-N 3.32Å
49G82.6Confident85.1Confident86 Ų8690.1 Ų90.189%0.88747%0.465SS*.THydrogen-bonded Turntrans83-2.2-179.200000115R47R47-G49 PolarHBondContact O-N 3.08Å
50W87.6Confident85.9Confident63 Ų6389.5 Ų89.524%0.23947%0.474CS..  trans-94.8136.5172.8176.874.8000109.7P41 P42 R47 K48 P52 D57 F64 I67P41-W50 HydrophobicContact CB-CH2 3.41Å; P41-W50 VanDerWaalsContact CB-CH2 3.41Å; P41-W50 HydrophobicContact CB-CZ2 3.98Å; P41-W50 HydrophobicContact CB-CZ3 4.07Å; P42-W50 HydrophobicContact CG-CD2 3.96Å; P42-W50 HydrophobicContact CG-CE3 4.27Å; P42-W50 HydrophobicContact CG-CG 4.09Å; R47-W50 HydrophobicContact CB-CE3 4.15Å; R47-W50 HydrophobicContact CG-CE3 3.91Å; R47-W50 HydrophobicContact CG-CZ3 4.2Å; R47-W50 PolarHBondContact O-N 2.93Å; K48-W50 VanDerWaalsContact C-N 3.29Å; K48-W50 PolarHBondContact O-N 3.32Å; W50-P52 HydrophobicContact CH2-CB 4.08Å; W50-P52 HydrophobicContact CH2-CG 4.42Å; W50-P52 HydrophobicContact CZ2-CB 4.25Å; W50-D57 VanDerWaalsContact CH2-O 3.26Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4.12Å; W50-D57 WeakPolarHBondContact CZ2-O 3.3Å; W50-F64 HydrophobicContact CH2-CD2 4.02Å; W50-F64 AromaticContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CE2 3.44Å; W50-F64 VanDerWaalsContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CZ 4.11Å; W50-F64 AromaticContact CZ3-CD2 3.59Å; W50-F64 HydrophobicContact CZ3-CD2 3.59Å; W50-F64 AromaticContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CE2 3.46Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CG 4.39Å; W50-F64 HydrophobicContact CZ3-CZ 4.15Å; W50-I67 HydrophobicContact CE3-CD1 3.69Å; W50-I67 HydrophobicContact CZ3-CD1 3.88Å; W50-I67 WeakPolarHBondContact O-CD1 3.31Å
51V88.8Confident86.2Confident59 Ų5983.8 Ų83.836%0.35846%0.455SS..  trans-134.2115.7-178.8-179.20000109.1I67 V69V51-I67 HydrophobicContact CG2-CG2 4.3Å; V51-V69 HydrophobicContact CG1-CB 4.39Å; V51-V69 HydrophobicContact CG1-CG1 4.38Å; V51-V69 HydrophobicContact CG1-CG2 4.15Å
52P88.3Confident86.3Confident9 Ų984.2 Ų84.26%0.05847%0.466CS..  trans-71131.3176.730.5-35.6000110.2W50 D57 F58 F64 I67 Q71W50-P52 HydrophobicContact CH2-CB 4.08Å; W50-P52 HydrophobicContact CH2-CG 4.42Å; W50-P52 HydrophobicContact CZ2-CB 4.25Å; P52-D57 HydrophobicContact CB-CB 3.59Å; P52-F58 HydrophobicContact CB-CD1 4.05Å; P52-F58 HydrophobicContact CB-CE1 3.51Å; P52-F58 HydrophobicContact CB-CE2 4.25Å; P52-F58 HydrophobicContact CB-CZ 3.62Å; P52-F58 HydrophobicContact CG-CD1 4.22Å; P52-F58 HydrophobicContact CG-CE1 3.4Å; P52-F58 HydrophobicContact CG-CZ 3.75Å; P52-F64 HydrophobicContact CG-CD2 4.14Å; P52-F64 HydrophobicContact CG-CE2 4.49Å; P52-I67 HydrophobicContact CG-CD1 4.4Å; P52-Q71 HydrophobicContact CG-CG 3.96Å
53R85.4Confident86.5Confident227 Ų22785.1 Ų85.186%0.85748%0.476SS*.  trans-120.9-30.3-178.7-67.4-175.3179.2-173.50.2112.8D57R53-D57 PolarHBondContact N-OD2 3.31Å
54S86.8Confident86.7Confident46 Ų4681.7 Ų81.732%0.32245%0.453SS..SBendtrans-105.4164.2179.7710000111.3E56 D57 F58S54-E56 PolarHBondContact O-N 2.84Å; S54-D57 PolarHBondContact N-OD2 3.38Å; S54-D57 PolarHBondContact O-N 3.11Å; S54-D57 PolarHBondContact OG-N 3.2Å; S54-D57 PolarHBondContact OG-OD1 3Å; S54-D57 PolarHBondContact OG-OD2 3.12Å; S54-F58 WeakPolarHBondContact O-CD2 3.39Å; S54-F58 VanDerWaalsContact O-CE2 3.26Å; S54-F58 WeakPolarHBondContact O-CE2 3.32Å
55L86.3Confident86.9Confident93 Ų9378.3 Ų78.349%0.48745%0.453SS..SBendtrans-64.4-29.8176-69.9168.8000112D57L55-D57 VanDerWaalsContact C-N 3.34Å
56E87.3Confident87.2Confident139 Ų13979 Ų7965%0.6544%0.441SS*.G310 helixtrans-72.1-27.6-179.4-62.5177.5-176.600112.5S54 F58 G59S54-E56 PolarHBondContact O-N 2.84Å; E56-F58 PolarHBondContact O-N 3.45Å; E56-F58 VanDerWaalsContact O-N 3.08Å; E56-G59 PolarHBondContact O-N 3.25Å; E56-G59 VanDerWaalsContact O-N 3.07Å
57D88.4Confident87.3Confident21 Ų2172.9 Ų72.911%0.11241%0.413CS..G310 helixtrans-65.1-13.9179.9-61.8-36.3000112.8W50 P52 R53 S54 L55W50-D57 VanDerWaalsContact CH2-O 3.26Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4.12Å; W50-D57 WeakPolarHBondContact CZ2-O 3.3Å; P52-D57 HydrophobicContact CB-CB 3.59Å; R53-D57 PolarHBondContact N-OD2 3.31Å; S54-D57 PolarHBondContact N-OD2 3.38Å; S54-D57 PolarHBondContact O-N 3.11Å; S54-D57 PolarHBondContact OG-N 3.2Å; S54-D57 PolarHBondContact OG-OD1 3Å; S54-D57 PolarHBondContact OG-OD2 3.12Å; L55-D57 VanDerWaalsContact C-N 3.34Å
58F87.5Confident87.6Confident12 Ų1279.7 Ų79.75%0.05345%0.447CS..G310 helixtrans-92-3.3177.8-57.6-73.2000113.3P52 S54 E56 D60 G61 G62 F64 Q71 P73P52-F58 HydrophobicContact CB-CD1 4.05Å; P52-F58 HydrophobicContact CB-CE1 3.51Å; P52-F58 HydrophobicContact CB-CE2 4.25Å; P52-F58 HydrophobicContact CB-CZ 3.62Å; P52-F58 HydrophobicContact CG-CD1 4.22Å; P52-F58 HydrophobicContact CG-CE1 3.4Å; P52-F58 HydrophobicContact CG-CZ 3.75Å; S54-F58 WeakPolarHBondContact O-CD2 3.39Å; S54-F58 VanDerWaalsContact O-CE2 3.26Å; S54-F58 WeakPolarHBondContact O-CE2 3.32Å; E56-F58 PolarHBondContact O-N 3.45Å; E56-F58 VanDerWaalsContact O-N 3.08Å; F58-D60 PolarHBondContact O-N 2.93Å; F58-G61 PolarHBondContact O-N 3.2Å; F58-G61 VanDerWaalsContact O-O 3.14Å; F58-G62 WeakPolarHBondContact CD1-O 3.26Å; F58-F64 HydrophobicContact CD1-CD2 4.31Å; F58-F64 AromaticContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CE1-CD2 4.45Å; F58-F64 HydrophobicContact CE1-CE2 4.34Å; F58-Q71 HydrophobicContact CE1-CB 3.92Å; F58-Q71 HydrophobicContact CE1-CG 4.05Å; F58-Q71 HydrophobicContact CZ-CB 3.9Å; F58-Q71 HydrophobicContact CZ-CG 4.15Å; F58-P73 HydrophobicContact CD1-CG 4.04Å; F58-P73 HydrophobicContact CD2-CB 4.42Å; F58-P73 HydrophobicContact CD2-CG 4.38Å; F58-P73 HydrophobicContact CE1-CG 4.14Å; F58-P73 HydrophobicContact CE2-CG 4.49Å; F58-P73 HydrophobicContact CG-CB 4.37Å; F58-P73 HydrophobicContact CG-CG 4.16Å; F58-P73 HydrophobicContact CZ-CG 4.37Å
59G86.4Confident87.9Confident40 Ų4073.9 Ų73.941%0.41243%0.427SS..THydrogen-bonded Turntrans60.3-117.3-174.900000111.8E56 G61E56-G59 PolarHBondContact O-N 3.25Å; E56-G59 VanDerWaalsContact O-N 3.07Å; G59-G61 PolarHBondContact O-N 3.07Å
60D84.4Confident88.2Confident157 Ų15773.3 Ų73.384%0.8442%0.415SS*.THydrogen-bonded Turntrans-79.76.8174.4-77.1-17.5000113.4F58F58-D60 PolarHBondContact O-N 2.93Å
61G86.4Confident88.4Confident29 Ų2971.5 Ų71.530%0.29941%0.409SS..  trans109.1-166.9175.900000113.7F58 G59F58-G61 PolarHBondContact O-N 3.2Å; F58-G61 VanDerWaalsContact O-O 3.14Å; G59-G61 PolarHBondContact O-N 3.07Å
62G88.3Confident88.5Confident43 Ų4371.9 Ų71.944%0.44341%0.406SS..  trans89.4139.2-175.200000112.8F58 P73F58-G62 WeakPolarHBondContact CD1-O 3.26Å; G62-P73 VanDerWaalsContact C-CG 3.5Å; G62-P73 WeakPolarHBondContact O-CG 3.48Å
63A91.8Very high88.6Confident54 Ų5472.5 Ų72.545%0.44641%0.41SS..  trans-98.2141.6174.500000109.3P65 Q71 P73A63-P65 VanDerWaalsContact O-CD 3.31Å; A63-P65 WeakPolarHBondContact O-CD 3.32Å; A63-Q71 HydrophobicContact CB-CB 3.9Å; A63-P73 HydrophobicContact CB-CG 4Å
64F91Very high88.8Confident16 Ų1668.7 Ų68.77%0.0741%0.405CS..  trans-92.9106.7-176.9-54.3-64.8000110.3P41 R47 W50 P52 F58 E66 I67 Q71P41-F64 HydrophobicContact CB-CE2 4.24Å; P41-F64 HydrophobicContact CB-CZ 3.72Å; P41-F64 HydrophobicContact CG-CZ 3.97Å; R47-F64 VanDerWaalsContact NH1-CE1 3.34Å; R47-F64 VanDerWaalsContact NH2-CE1 3.33Å; W50-F64 HydrophobicContact CH2-CD2 4.02Å; W50-F64 AromaticContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CE2 3.44Å; W50-F64 VanDerWaalsContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CZ 4.11Å; W50-F64 AromaticContact CZ3-CD2 3.59Å; W50-F64 HydrophobicContact CZ3-CD2 3.59Å; W50-F64 AromaticContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CE2 3.46Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CG 4.39Å; W50-F64 HydrophobicContact CZ3-CZ 4.15Å; P52-F64 HydrophobicContact CG-CD2 4.14Å; P52-F64 HydrophobicContact CG-CE2 4.49Å; F58-F64 HydrophobicContact CD1-CD2 4.31Å; F58-F64 AromaticContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CE1-CD2 4.45Å; F58-F64 HydrophobicContact CE1-CE2 4.34Å; F64-E66 PolarHBondContact O-N 3.45Å; F64-I67 HydrophobicContact CB-CD1 3.8Å; F64-I67 HydrophobicContact CB-CG1 4.03Å; F64-I67 HydrophobicContact CD2-CD1 4.04Å; F64-I67 HydrophobicContact CG-CD1 4.23Å; F64-I67 PolarHBondContact O-N 3.12Å; F64-I67 VanDerWaalsContact O-N 3.11Å; F64-Q71 PolarHBondContact O-NE2 2.98Å
65P90.5Very high88.9Confident111 Ų11171.6 Ų71.672%0.72141%0.414SS*.THydrogen-bonded Turntrans-65.4-23.8-175.827.4-35.5000113A63 I67A63-P65 VanDerWaalsContact O-CD 3.31Å; A63-P65 WeakPolarHBondContact O-CD 3.32Å; P65-I67 PolarHBondContact O-N 3.44Å
66E89.6Confident89Confident69 Ų6972.9 Ų72.932%0.32242%0.419SS..THydrogen-bonded Turntrans-69.5-13.7175.666.8-87.3-160.300113.9R47 F64R47-E66 WeakPolarHBondContact CD-OE1 3.43Å; R47-E66 IonicContact CZ-OE1 3.7Å; R47-E66 IonicContact NE-OE1 3.76Å; R47-E66 IonicContact NH1-OE1 3.55Å; R47-E66 PolarHBondContact NH1-OE1 3.48Å; F64-E66 PolarHBondContact O-N 3.45Å
67I89.1Confident89Confident15 Ų1569.7 Ų69.78%0.07742%0.424CS..SBendtrans-102.2107.1176.6-52.9173.7000107.9W50 V51 P52 F64 P65 V69 Q71W50-I67 HydrophobicContact CE3-CD1 3.69Å; W50-I67 HydrophobicContact CZ3-CD1 3.88Å; W50-I67 WeakPolarHBondContact O-CD1 3.31Å; V51-I67 HydrophobicContact CG2-CG2 4.3Å; P52-I67 HydrophobicContact CG-CD1 4.4Å; F64-I67 HydrophobicContact CB-CD1 3.8Å; F64-I67 HydrophobicContact CB-CG1 4.03Å; F64-I67 HydrophobicContact CD2-CD1 4.04Å; F64-I67 HydrophobicContact CG-CD1 4.23Å; F64-I67 PolarHBondContact O-N 3.12Å; F64-I67 VanDerWaalsContact O-N 3.11Å; P65-I67 PolarHBondContact O-N 3.44Å; I67-V69 HydrophobicContact CG2-CB 4.36Å; I67-V69 HydrophobicContact CG2-CG2 4.35Å; I67-V69 PolarHBondContact O-N 2.8Å; I67-Q71 PolarHBondContact O-NE2 3.39Å
68H90Very high89.1Confident184 Ų18474.9 Ų74.985%0.85244%0.441SS*.  trans-77.852.2-174.7-61.9-174.7000113
69V89.8Confident89.2Confident78 Ų7884.5 Ų84.547%0.47348%0.483SS..SBendtrans-128.6144.3174.2177.50000107.9V51 I67 Q71V51-V69 HydrophobicContact CG1-CB 4.39Å; V51-V69 HydrophobicContact CG1-CG1 4.38Å; V51-V69 HydrophobicContact CG1-CG2 4.15Å; I67-V69 HydrophobicContact CG2-CB 4.36Å; I67-V69 HydrophobicContact CG2-CG2 4.35Å; I67-V69 PolarHBondContact O-N 2.8Å; V69-Q71 WeakPolarHBondContact O-CG 3.47Å; V69-Q71 PolarHBondContact O-N 3.33Å; V69-Q71 VanDerWaalsContact O-N 3.1Å; V69-Q71 PolarHBondContact O-NE2 3.1Å
70A89.7Confident89.4Confident75 Ų7590.6 Ų90.662%0.6250%0.499SS*.  trans-65.1111.817500000110.2F72A70-F72 HydrophobicContact CB-CE1 4.47Å; A70-F72 HydrophobicContact CB-CE2 4Å; A70-F72 HydrophobicContact CB-CZ 3.74Å
71Q90.6Very high89.7Confident25 Ų2592.5 Ų92.512%0.11750%0.499CS..  trans-107.4137.6-178.3-69162.66600109.2P52 F58 A63 F64 I67 V69P52-Q71 HydrophobicContact CG-CG 3.96Å; F58-Q71 HydrophobicContact CE1-CB 3.92Å; F58-Q71 HydrophobicContact CE1-CG 4.05Å; F58-Q71 HydrophobicContact CZ-CB 3.9Å; F58-Q71 HydrophobicContact CZ-CG 4.15Å; A63-Q71 HydrophobicContact CB-CB 3.9Å; F64-Q71 PolarHBondContact O-NE2 2.98Å; I67-Q71 PolarHBondContact O-NE2 3.39Å; V69-Q71 WeakPolarHBondContact O-CG 3.47Å; V69-Q71 PolarHBondContact O-N 3.33Å; V69-Q71 VanDerWaalsContact O-N 3.1Å; V69-Q71 PolarHBondContact O-NE2 3.1Å
72F91.1Very high89.9Confident67 Ų6798.4 Ų98.429%0.29453%0.53SS..  trans-129.968.6-176.2-52.1-70.8000111.7A70 L74 E75 M76 R78A70-F72 HydrophobicContact CB-CE1 4.47Å; A70-F72 HydrophobicContact CB-CE2 4Å; A70-F72 HydrophobicContact CB-CZ 3.74Å; F72-L74 PolarHBondContact O-N 3.08Å; F72-E75 PolarHBondContact O-N 3.4Å; F72-E75 VanDerWaalsContact O-N 3.08Å; F72-M76 WeakPolarHBondContact CB-O 3.12Å; F72-M76 WeakPolarHBondContact CD1-O 3.21Å; F72-R78 HydrophobicContact CB-CG 4.1Å; F72-R78 HydrophobicContact CD1-CG 3.86Å; F72-R78 HydrophobicContact CD2-CG 4.03Å; F72-R78 HydrophobicContact CE1-CG 4.23Å; F72-R78 HydrophobicContact CE2-CG 4.4Å; F72-R78 HydrophobicContact CG-CG 3.72Å; F72-R78 HydrophobicContact CZ-CG 4.47Å
73P90.7Very high90.1Very high21 Ų21100.6 Ų100.614%0.13654%0.538CS..G310 helixtrans-54.9135.5171.4-19.630.6000110.2F58 G62 A63 E75 M76F58-P73 HydrophobicContact CD1-CG 4.04Å; F58-P73 HydrophobicContact CD2-CB 4.42Å; F58-P73 HydrophobicContact CD2-CG 4.38Å; F58-P73 HydrophobicContact CE1-CG 4.14Å; F58-P73 HydrophobicContact CE2-CG 4.49Å; F58-P73 HydrophobicContact CG-CB 4.37Å; F58-P73 HydrophobicContact CG-CG 4.16Å; F58-P73 HydrophobicContact CZ-CG 4.37Å; G62-P73 VanDerWaalsContact C-CG 3.5Å; G62-P73 WeakPolarHBondContact O-CG 3.48Å; A63-P73 HydrophobicContact CB-CG 4Å; P73-E75 PolarHBondContact O-N 3.05Å; P73-E75 VanDerWaalsContact O-N 3.09Å; P73-M76 WeakPolarHBondContact O-CB 3.49Å; P73-M76 WeakPolarHBondContact O-CG 3.36Å; P73-M76 PolarHBondContact O-N 3.46Å
74L89.1Confident90.2Very high147 Ų147106.7 Ų106.777%0.7756%0.563SS**G310 helixtrans52.329-176.1-61169.1000114.1F72 M76F72-L74 PolarHBondContact O-N 3.08Å; L74-M76 HydrophobicContact CB-CG 4.21Å; L74-M76 PolarHBondContact O-N 3.09Å
75E89.2Confident90.2Very high107 Ų107109.7 Ų109.750%0.559%0.591SS.*G310 helixtrans58.615-175.9-49.3-164.8131.900115.1F72 P73 R78F72-E75 PolarHBondContact O-N 3.4Å; F72-E75 VanDerWaalsContact O-N 3.08Å; P73-E75 PolarHBondContact O-N 3.05Å; P73-E75 VanDerWaalsContact O-N 3.09Å; E75-R78 IonicContact OE1-NH1 2.82Å; E75-R78 PolarHBondContact OE1-NH1 3.02Å
76M88.6Confident90.3Very high121 Ų121109.9 Ų109.960%0.59659%0.585SS**THydrogen-bonded Turntrans-68.3141.4178.4-66-66.6-77.700110.2F72 P73 L74 R78F72-M76 WeakPolarHBondContact CB-O 3.12Å; F72-M76 WeakPolarHBondContact CD1-O 3.21Å; P73-M76 WeakPolarHBondContact O-CB 3.49Å; P73-M76 WeakPolarHBondContact O-CG 3.36Å; P73-M76 PolarHBondContact O-N 3.46Å; L74-M76 HydrophobicContact CB-CG 4.21Å; L74-M76 PolarHBondContact O-N 3.09Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 3.05Å
77G86.8Confident90.4Very high72 Ų72110.1 Ų110.174%0.74260%0.599SS**THydrogen-bonded Turntrans85.6-8.1179.500000115.5
78R89.8Confident90.7Very high129 Ų129114.8 Ų114.849%0.48763%0.628SS.*SBendtrans-72146.4169.5-67.4-175.3170.4-179-3.3111F72 E75 M76 K80F72-R78 HydrophobicContact CB-CG 4.1Å; F72-R78 HydrophobicContact CD1-CG 3.86Å; F72-R78 HydrophobicContact CD2-CG 4.03Å; F72-R78 HydrophobicContact CE1-CG 4.23Å; F72-R78 HydrophobicContact CE2-CG 4.4Å; F72-R78 HydrophobicContact CG-CG 3.72Å; F72-R78 HydrophobicContact CZ-CG 4.47Å; E75-R78 IonicContact OE1-NH1 2.82Å; E75-R78 PolarHBondContact OE1-NH1 3.02Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 3.05Å; R78-K80 PolarHBondContact O-N 3.14Å; R78-K80 VanDerWaalsContact O-N 3.15Å
79K90.4Very high90.9Very high215 Ų215110.5 Ų110.594%0.93561%0.608SS**  trans-65.6113.5170.9-71.5-174.9179179.50109.2
80K89.6Confident91.1Very high168 Ų168110.3 Ų110.373%0.7361%0.607SS**PPolyproline II helixtrans-83.9153.4177.1-62.3-173.7178.9-176.40110.6R78R78-K80 PolarHBondContact O-N 3.14Å; R78-K80 VanDerWaalsContact O-N 3.15Å
81K91.3Very high91.3Very high197 Ų197108.1 Ų108.186%0.85759%0.585SS**PPolyproline II helixtrans-66.6151.6169.5-64.8-178-178.4178.70109.6S83K81-S83 PolarHBondContact O-N 3.49Å
82T91.6Very high91.5Very high152 Ų152112.4 Ų112.493%0.93363%0.625SS**PPolyproline II helixtrans-63.6128.2171.548.30000109.3
83S91.9Very high91.6Very high90 Ų90116.1 Ų116.163%0.62964%0.643SS**  trans-132.2140.8-17863.20000110.7K81 A85K81-S83 PolarHBondContact O-N 3.49Å; S83-A85 PolarHBondContact O-N 3.4Å
84N94.1Very high91.7Very high182 Ų182117.8 Ų117.897%0.97366%0.664SS**  trans-80-1.6174.6-65.6-17.6000113.2
85A91.8Very high91.9Very high78 Ų78116.7 Ų116.765%0.64565%0.653SS**SBendtrans-73.4132.7179.100000110.8S83S83-A85 PolarHBondContact O-N 3.4Å
86L91.2Very high92.2Very high115 Ų115115.2 Ų115.260%0.60265%0.648SS**PPolyproline II helixtrans-63.4139.2166.8-176.766.1000109V88 A100L86-V88 PolarHBondContact O-N 2.89Å; L86-A100 HydrophobicContact CD2-CB 3.98Å
87A92.3Very high92.5Very high74 Ų74113.7 Ų113.761%0.61264%0.637SS**PPolyproline II helixtrans-59.2132.2176.600000110.7Q89A87-Q89 PolarHBondContact O-N 2.78Å
88V94.3Very high92.8Very high113 Ų113118 Ų11869%0.68563%0.633SS**  trans-66.8115.7174-1780000108.1L86 I96L86-V88 PolarHBondContact O-N 2.89Å; V88-I96 HydrophobicContact CG1-CG1 4.4Å; V88-I96 HydrophobicContact CG1-CG2 3.66Å
89Q94.3Very high92.9Very high94 Ų94112.9 Ų112.944%0.43962%0.615SS.*  trans-98.9149.7179-63.2178.43.500109.9A87 K97A87-Q89 PolarHBondContact O-N 2.78Å; Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.09Å; Q89-K97 PolarHBondContact O-N 3Å
90V95.3Very high93Very high75 Ų75103.6 Ų103.646%0.45558%0.578SS.*BIsolated β-bridgetrans-119.6149.9177.3-171.50000108.5G94 K95 K97V90-G94 VanDerWaalsContact CG1-CA 3.41Å; V90-G94 WeakPolarHBondContact CG1-O 3.38Å; V90-K95 CarbonylContact C-O 3.58Å; V90-K95 WeakPolarHBondContact CA-O 3.46Å; V90-K95 WeakPolarHBondContact CG1-O 3.32Å; V90-K97 WeakPolarHBondContact O-CE 3.47Å; V90-K97 PolarHBondContact O-NZ 2.74Å; V90-K97 VanDerWaalsContact O-NZ 3.16Å
91D92.8Very high93.2Very high29 Ų29101.2 Ų101.216%0.15557%0.572CS.*  trans-85.3176.9171.267.117.6000112.8E93 G94 K95 K97D91-E93 PolarHBondContact O-N 3.07Å; D91-E93 WeakPolarHBondContact OD1-CA 3.39Å; D91-E93 WeakPolarHBondContact OD1-CB 3.37Å; D91-E93 PolarHBondContact OD1-N 3.27Å; D91-G94 PolarHBondContact O-N 3.16Å; D91-G94 VanDerWaalsContact O-N 3.14Å; D91-G94 PolarHBondContact OD1-N 3.15Å; D91-K95 PolarHBondContact N-O 2.8Å; D91-K95 PolarHBondContact OD1-N 3.37Å; D91-K97 HydrophobicContact CB-CD 4.42Å; D91-K97 VanDerWaalsContact CB-CE 3.46Å; D91-K97 HydrophobicContact CB-CG 4.09Å
92A95.2Very high93.2Very high114 Ų11492.8 Ų92.894%0.94254%0.539SS*.THydrogen-bonded Turntrans-65.7-19.4179.800000112.6
93E93.3Very high93.3Very high146 Ų14688.9 Ų88.968%0.68251%0.508SS*.THydrogen-bonded Turntrans-87.6-6176.8-61.2178.7-174.700112.6D91 K95D91-E93 PolarHBondContact O-N 3.07Å; D91-E93 WeakPolarHBondContact OD1-CA 3.39Å; D91-E93 WeakPolarHBondContact OD1-CB 3.37Å; D91-E93 PolarHBondContact OD1-N 3.27Å; E93-K95 IonicContact OE2-NZ 3.49Å; E93-K95 PolarHBondContact OE2-NZ 3.18Å
94G92.5Very high93.2Very high55 Ų5591.6 Ų91.657%0.56751%0.51SS*.SBendtrans88.66.5-177.500000114.7V90 D91V90-G94 VanDerWaalsContact CG1-CA 3.41Å; V90-G94 WeakPolarHBondContact CG1-O 3.38Å; D91-G94 PolarHBondContact O-N 3.16Å; D91-G94 VanDerWaalsContact O-N 3.14Å; D91-G94 PolarHBondContact OD1-N 3.15Å
95K93.8Very high93.1Very high124 Ų12486.5 Ų86.554%0.53950%0.501SS..  trans-85.1141.1176-63.1169.4-176.4153.20110.9V90 D91 E93 K97V90-K95 CarbonylContact C-O 3.58Å; V90-K95 WeakPolarHBondContact CA-O 3.46Å; V90-K95 WeakPolarHBondContact CG1-O 3.32Å; D91-K95 PolarHBondContact N-O 2.8Å; D91-K95 PolarHBondContact OD1-N 3.37Å; E93-K95 IonicContact OE2-NZ 3.49Å; E93-K95 PolarHBondContact OE2-NZ 3.18Å; K95-K97 PolarHBondContact O-N 3.02Å
96I95.3Very high93.2Very high77 Ų7784.9 Ų84.940%0.39548%0.48SS..BIsolated β-bridgetrans-67128.4176.7-62.9170.8000109.8V88 Y98V88-I96 HydrophobicContact CG1-CG1 4.4Å; V88-I96 HydrophobicContact CG1-CG2 3.66Å; I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 HydrophobicContact CB-CD2 4.34Å; I96-Y98 HydrophobicContact CB-CE2 3.82Å; I96-Y98 HydrophobicContact CG2-CD1 4.12Å; I96-Y98 HydrophobicContact CG2-CD2 4.2Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.89Å; I96-Y98 HydrophobicContact CG2-CG 4.31Å; I96-Y98 WeakPolarHBondContact O-CD2 3.31Å; I96-Y98 PolarHBondContact O-N 3.49Å
97K94.3Very high93.3Very high88 Ų8881.8 Ų81.838%0.38348%0.475SS..  trans-8174.9178.5-69.9179.2173.7157.30111.5Q89 V90 D91 K95 D99 A100Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.09Å; Q89-K97 PolarHBondContact O-N 3Å; V90-K97 WeakPolarHBondContact O-CE 3.47Å; V90-K97 PolarHBondContact O-NZ 2.74Å; V90-K97 VanDerWaalsContact O-NZ 3.16Å; D91-K97 HydrophobicContact CB-CD 4.42Å; D91-K97 VanDerWaalsContact CB-CE 3.46Å; D91-K97 HydrophobicContact CB-CG 4.09Å; K95-K97 PolarHBondContact O-N 3.02Å; K97-D99 PolarHBondContact O-N 3.19Å; K97-A100 WeakPolarHBondContact O-CB 3.45Å; K97-A100 PolarHBondContact O-N 3.49Å; K97-A100 VanDerWaalsContact O-N 3.13Å
98Y94.3Very high93.3Very high163 Ų16386.8 Ų86.864%0.63948%0.483SS*.THydrogen-bonded Turntrans-61.1-21.9170.4-62.3-70.4000112.9I96 A100 I101I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 HydrophobicContact CB-CD2 4.34Å; I96-Y98 HydrophobicContact CB-CE2 3.82Å; I96-Y98 HydrophobicContact CG2-CD1 4.12Å; I96-Y98 HydrophobicContact CG2-CD2 4.2Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.89Å; I96-Y98 HydrophobicContact CG2-CG 4.31Å; I96-Y98 WeakPolarHBondContact O-CD2 3.31Å; I96-Y98 PolarHBondContact O-N 3.49Å; Y98-A100 PolarHBondContact O-N 3.42Å; Y98-A100 VanDerWaalsContact O-N 3.13Å; Y98-I101 WeakPolarHBondContact O-CB 3.37Å; Y98-I101 PolarHBondContact O-N 3.17Å; Y98-I101 VanDerWaalsContact O-N 3.08Å
99D92.5Very high93.2Very high22 Ų2287.9 Ų87.912%0.11849%0.485CS..Hα-helixtrans-59.3-20.3173.9-165.125.6000113.6K97 I101 A102 R103 S114K97-D99 PolarHBondContact O-N 3.19Å; D99-I101 PolarHBondContact O-N 3.4Å; D99-A102 PolarHBondContact O-N 3.16Å; D99-A102 VanDerWaalsContact O-N 3.12Å; D99-R103 VanDerWaalsContact CG-NE 3.35Å; D99-R103 WeakPolarHBondContact O-CB 3.43Å; D99-R103 WeakPolarHBondContact O-CG 3.08Å; D99-R103 PolarHBondContact O-N 3.4Å; D99-R103 IonicContact OD1-NE 3.69Å; D99-R103 IonicContact OD2-CZ 2.69Å; D99-R103 VanDerWaalsContact OD2-CZ 3.27Å; D99-R103 IonicContact OD2-NE 2.74Å; D99-R103 PolarHBondContact OD2-NE 3.13Å; D99-R103 IonicContact OD2-NH2 3.88Å; D99-R103 PolarHBondContact OD2-NH2 3.46Å; D99-S114 WeakPolarHBondContact CB-OG 3.38Å; D99-S114 WeakPolarHBondContact OD1-CB 3.33Å; D99-S114 PolarHBondContact OD1-OG 2.96Å
100A92.3Very high93.3Very high19 Ų1987.9 Ų87.916%0.15748%0.484CS..Hα-helixtrans-59.2-26.9173.900000112.7L86 K97 Y98 Q104L86-A100 HydrophobicContact CD2-CB 3.98Å; K97-A100 WeakPolarHBondContact O-CB 3.45Å; K97-A100 PolarHBondContact O-N 3.49Å; K97-A100 VanDerWaalsContact O-N 3.13Å; Y98-A100 PolarHBondContact O-N 3.42Å; Y98-A100 VanDerWaalsContact O-N 3.13Å; A100-Q104 PolarHBondContact O-N 3.08Å
101I93.1Very high93.2Very high118 Ų11889.3 Ų89.361%0.60549%0.492SS*.Hα-helixtrans-70.8-48.4174.6-59.5172.4000110.2Y98 D99 R103 Q104Y98-I101 WeakPolarHBondContact O-CB 3.37Å; Y98-I101 PolarHBondContact O-N 3.17Å; Y98-I101 VanDerWaalsContact O-N 3.08Å; D99-I101 PolarHBondContact O-N 3.4Å; I101-R103 PolarHBondContact O-N 3.32Å; I101-Q104 VanDerWaalsContact O-CB 3.31Å; I101-Q104 WeakPolarHBondContact O-CB 3.46Å; I101-Q104 PolarHBondContact O-N 3.43Å
102A92.4Very high93.3Very high21 Ų2189 Ų8917%0.17449%0.49CS..Hα-helixtrans-65.9-28.3179.400000112.7D99 Q104 I112 P228D99-A102 PolarHBondContact O-N 3.16Å; D99-A102 VanDerWaalsContact O-N 3.12Å; A102-Q104 VanDerWaalsContact C-N 3.32Å; A102-I112 HydrophobicContact CB-CG2 4.41Å; A102-I112 WeakPolarHBondContact O-CD1 3.4Å; A102-P228 HydrophobicContact CB-CG 3.76Å
103R91.9Very high93.3Very high70 Ų7089.6 Ų89.626%0.26447%0.472SS..THydrogen-bonded Turntrans-83.1-2.1178-69.9174.1-175.9-83.7-13.4114.5D99 I101 G105 Q106 K110 I112D99-R103 VanDerWaalsContact CG-NE 3.35Å; D99-R103 WeakPolarHBondContact O-CB 3.43Å; D99-R103 WeakPolarHBondContact O-CG 3.08Å; D99-R103 PolarHBondContact O-N 3.4Å; D99-R103 IonicContact OD1-NE 3.69Å; D99-R103 IonicContact OD2-CZ 2.69Å; D99-R103 VanDerWaalsContact OD2-CZ 3.27Å; D99-R103 IonicContact OD2-NE 2.74Å; D99-R103 PolarHBondContact OD2-NE 3.13Å; D99-R103 IonicContact OD2-NH2 3.88Å; D99-R103 PolarHBondContact OD2-NH2 3.46Å; I101-R103 PolarHBondContact O-N 3.32Å; R103-G105 PolarHBondContact O-N 3.38Å; R103-Q106 WeakPolarHBondContact O-CB 3.36Å; R103-Q106 PolarHBondContact O-N 3.13Å; R103-K110 PolarHBondContact NH1-O 2.64Å; R103-I112 HydrophobicContact CB-CD1 4.29Å; R103-I112 HydrophobicContact CG-CD1 3.7Å; R103-I112 HydrophobicContact CG-CG1 4.32Å; R103-I112 PolarHBondContact NH2-O 3.19Å
104Q91.1Very high93.4Very high146 Ų14684.5 Ų84.568%0.68245%0.452SS*.THydrogen-bonded Turntrans-55.3127.6-178.6-174.41757.100110.8A100 I101 A102 Q106 P225A100-Q104 PolarHBondContact O-N 3.08Å; I101-Q104 VanDerWaalsContact O-CB 3.31Å; I101-Q104 WeakPolarHBondContact O-CB 3.46Å; I101-Q104 PolarHBondContact O-N 3.43Å; A102-Q104 VanDerWaalsContact C-N 3.32Å; Q104-Q106 VanDerWaalsContact C-N 3.27Å; Q104-Q106 PolarHBondContact O-N 3.08Å; Q104-P225 WeakPolarHBondContact O-CG 3.31Å
105G90.8Very high93.4Very high75 Ų7586.5 Ų86.577%0.77345%0.445SS*.THydrogen-bonded Turntrans77.34.1-179.300000115.4R103R103-G105 PolarHBondContact O-N 3.38Å
106Q94.1Very high93.4Very high45 Ų4588.4 Ų88.421%0.2145%0.45CS..SBendtrans-104.2158.1174-56.9-60.8-3000111.3R103 Q104 K110 I112 P225R103-Q106 WeakPolarHBondContact O-CB 3.36Å; R103-Q106 PolarHBondContact O-N 3.13Å; Q104-Q106 VanDerWaalsContact C-N 3.27Å; Q104-Q106 PolarHBondContact O-N 3.08Å; Q106-K110 HydrophobicContact CB-CB 4.44Å; Q106-K110 HydrophobicContact CB-CD 3.95Å; Q106-K110 VanDerWaalsContact CD-NZ 3.3Å; Q106-K110 HydrophobicContact CG-CD 4Å; Q106-I112 HydrophobicContact CB-CD1 4.4Å; Q106-I112 HydrophobicContact CG-CD1 4Å; Q106-P225 VanDerWaalsContact NE2-CD 3.27Å
107G93.4Very high93.3Very high49 Ų4989 Ų8951%0.50546%0.458SS..  trans-64.3145.917000000111.1D109 K110G107-D109 PolarHBondContact O-N 3.07Å; G107-D109 VanDerWaalsContact O-N 3.16Å; G107-K110 WeakPolarHBondContact O-CB 3.3Å; G107-K110 PolarHBondContact O-N 2.95Å
108K91.8Very high93.3Very high180 Ų18088.1 Ų88.178%0.78346%0.458SS*.THydrogen-bonded Turntrans-54.8-32.9178.558.2173.7-171.8175.90113.2
109D94Very high93.3Very high135 Ų13583.6 Ų83.672%0.72244%0.444SS*.THydrogen-bonded Turntrans-87.1-7.7-176.2-50.4-46.2000112.7G107 V111G107-D109 PolarHBondContact O-N 3.07Å; G107-D109 VanDerWaalsContact O-N 3.16Å; D109-V111 PolarHBondContact O-N 3.15Å
110K94.7Very high93.3Very high95 Ų9586.7 Ų86.741%0.41346%0.46SS..SBendtrans-71.9120.2176.7-172.1-176.1-172.6-176.20109.1R103 Q106 G107R103-K110 PolarHBondContact NH1-O 2.64Å; Q106-K110 HydrophobicContact CB-CB 4.44Å; Q106-K110 HydrophobicContact CB-CD 3.95Å; Q106-K110 VanDerWaalsContact CD-NZ 3.3Å; Q106-K110 HydrophobicContact CG-CD 4Å; G107-K110 WeakPolarHBondContact O-CB 3.3Å; G107-K110 PolarHBondContact O-N 2.95Å
111V93.9Very high93.4Very high104 Ų10490.9 Ų90.963%0.6349%0.485SS*.  trans-73.9130177-175.70000109.9D109 F113D109-V111 PolarHBondContact O-N 3.15Å; V111-F113 HydrophobicContact CG1-CE1 4.04Å; V111-F113 HydrophobicContact CG1-CZ 4.02Å
112I94.4Very high93.2Very high22 Ų2294.6 Ų94.611%0.11350%0.497CS..  trans-131.6129173.4-54.9-177.4000106.5A102 R103 Q106 P228A102-I112 HydrophobicContact CB-CG2 4.41Å; A102-I112 WeakPolarHBondContact O-CD1 3.4Å; R103-I112 HydrophobicContact CB-CD1 4.29Å; R103-I112 HydrophobicContact CG-CD1 3.7Å; R103-I112 HydrophobicContact CG-CG1 4.32Å; R103-I112 PolarHBondContact NH2-O 3.19Å; Q106-I112 HydrophobicContact CB-CD1 4.4Å; Q106-I112 HydrophobicContact CG-CD1 4Å; I112-P228 HydrophobicContact CG2-CG 4.16Å
113F95.6Very high92.9Very high128 Ų128101.1 Ų101.156%0.56152%0.524SS*.  trans-89.2125.2173.8-58.4-65.5000108.9V111 D118 M230V111-F113 HydrophobicContact CG1-CE1 4.04Å; V111-F113 HydrophobicContact CG1-CZ 4.02Å; F113-D118 WeakPolarHBondContact CA-OD2 3.37Å; F113-D118 HydrophobicContact CB-CB 4.01Å; F113-D118 HydrophobicContact CD1-CB 3.85Å; F113-D118 HydrophobicContact CG-CB 4.28Å; F113-M230 HydrophobicContact CB-CE 4.44Å; F113-M230 HydrophobicContact CB-CG 4.5Å
114S94.6Very high92.4Very high38 Ų38102 Ų10227%0.26654%0.537SS..  trans-146.2-9.3-176.7650000113.1D99 D118D99-S114 WeakPolarHBondContact CB-OG 3.38Å; D99-S114 WeakPolarHBondContact OD1-CB 3.33Å; D99-S114 PolarHBondContact OD1-OG 2.96Å; S114-D118 PolarHBondContact N-OD2 2.7Å; S114-D118 VanDerWaalsContact N-OD2 3.15Å
115K94.3Very high91.7Very high97 Ų97102.8 Ų102.842%0.42255%0.545SS..SBendtrans-97147.4-177.6-59.4-177.3-177.1-174.10109.6T117 D118 M230K115-T117 VanDerWaalsContact CB-OG1 3.31Å; K115-T117 WeakPolarHBondContact CB-OG1 3.42Å; K115-T117 PolarHBondContact O-N 3.12Å; K115-D118 PolarHBondContact N-OD2 3.23Å; K115-D118 VanDerWaalsContact N-OD2 3.07Å; K115-D118 VanDerWaalsContact O-CB 3.3Å; K115-D118 WeakPolarHBondContact O-CB 3.31Å; K115-D118 PolarHBondContact O-N 3.4Å; K115-M230 WeakPolarHBondContact O-CE 3.39Å
116Y92.9Very high91.3Very high164 Ų164107 Ų10764%0.64354%0.542SS*.G310 helixtrans-59.6-28.4173.1-179.6-102.6000112.6D118 L119 L120Y116-D118 PolarHBondContact O-N 3.34Å; Y116-D118 VanDerWaalsContact O-N 3.17Å; Y116-L119 HydrophobicContact CD2-CB 4.45Å; Y116-L119 HydrophobicContact CD2-CD1 3.98Å; Y116-L119 HydrophobicContact CE2-CD1 4.43Å; Y116-L119 WeakPolarHBondContact O-CB 3.49Å; Y116-L119 PolarHBondContact O-N 3.23Å; Y116-L120 HydrophobicContact CD1-CG 4.43Å; Y116-L120 HydrophobicContact CE1-CD1 4.28Å; Y116-L120 HydrophobicContact CE1-CD2 3.73Å; Y116-L120 HydrophobicContact CE1-CG 4.07Å; Y116-L120 PolarHBondContact O-N 3.39Å
117T93.6Very high90.4Very high91 Ų91112.2 Ų112.256%0.55857%0.572SS**G310 helixtrans-58.4-26.5173530000113.2K115 L119K115-T117 VanDerWaalsContact CB-OG1 3.31Å; K115-T117 WeakPolarHBondContact CB-OG1 3.42Å; K115-T117 PolarHBondContact O-N 3.12Å; T117-L119 VanDerWaalsContact C-N 3.32Å
118D93.4Very high89.6Confident69 Ų69116.5 Ų116.537%0.36958%0.583SS.*G310 helixtrans-79.3-17.7178.8-49.5-32000111.9F113 S114 K115 Y116 M230F113-D118 WeakPolarHBondContact CA-OD2 3.37Å; F113-D118 HydrophobicContact CB-CB 4.01Å; F113-D118 HydrophobicContact CD1-CB 3.85Å; F113-D118 HydrophobicContact CG-CB 4.28Å; S114-D118 PolarHBondContact N-OD2 2.7Å; S114-D118 VanDerWaalsContact N-OD2 3.15Å; K115-D118 PolarHBondContact N-OD2 3.23Å; K115-D118 VanDerWaalsContact N-OD2 3.07Å; K115-D118 VanDerWaalsContact O-CB 3.3Å; K115-D118 WeakPolarHBondContact O-CB 3.31Å; K115-D118 PolarHBondContact O-N 3.4Å; Y116-D118 PolarHBondContact O-N 3.34Å; Y116-D118 VanDerWaalsContact O-N 3.17Å; D118-M230 HydrophobicContact CB-CE 3.89Å
119L93.9Very high89.1Confident67 Ų67109.4 Ų109.435%0.35156%0.558SS.*THydrogen-bonded Turntrans-83.9-21.8175.2-80.7167.9000113.1Y116 T117 M230Y116-L119 HydrophobicContact CD2-CB 4.45Å; Y116-L119 HydrophobicContact CD2-CD1 3.98Å; Y116-L119 HydrophobicContact CE2-CD1 4.43Å; Y116-L119 WeakPolarHBondContact O-CB 3.49Å; Y116-L119 PolarHBondContact O-N 3.23Å; T117-L119 VanDerWaalsContact C-N 3.32Å; L119-M230 HydrophobicContact CD1-CE 4.09Å; L119-M230 HydrophobicContact CD2-CB 3.66Å; L119-M230 HydrophobicContact CD2-CE 4.33Å; L119-M230 WeakPolarHBondContact CD2-O 3.5Å; L119-M230 HydrophobicContact CG-CB 4.27Å; L119-M230 HydrophobicContact CG-CE 3.62Å; L119-M230 HydrophobicContact CG-SD 4.44Å
120L93.7Very high88.5Confident87 Ų87111.6 Ų111.646%0.45556%0.564SS.*SBendtrans-69.8130.5-177.3-67.3175.4000109.4Y116 K122Y116-L120 HydrophobicContact CD1-CG 4.43Å; Y116-L120 HydrophobicContact CE1-CD1 4.28Å; Y116-L120 HydrophobicContact CE1-CD2 3.73Å; Y116-L120 HydrophobicContact CE1-CG 4.07Å; Y116-L120 PolarHBondContact O-N 3.39Å; L120-K122 PolarHBondContact O-N 3.22Å
121P93.1Very high87.9Confident107 Ų107116.1 Ų116.170%0.69559%0.586SS**PPolyproline II helixtrans-62138.3175.127.3-33.4000109.4
122K89.3Confident87.5Confident197 Ų197116.6 Ų116.686%0.85759%0.585SS**PPolyproline II helixtrans-89.7121.8171.3-65.3-175.1179.8-175.80108.3L120 V124L120-K122 PolarHBondContact O-N 3.22Å; K122-V124 PolarHBondContact O-N 3.33Å
123E86.4Confident87.2Confident158 Ų158121.2 Ų121.274%0.73861%0.606SS**PPolyproline II helixtrans-68.9127.7178.2-62.5-62.7162.400110.7
124V81.4Confident87Confident89 Ų89125.6 Ų125.654%0.53962%0.619SS.*  trans-96.399.3174-177.70000107.9K122 K126 L132K122-V124 PolarHBondContact O-N 3.33Å; V124-K126 WeakPolarHBondContact CG1-O 3.42Å; V124-L132 HydrophobicContact CG1-CD1 3.82Å; V124-L132 HydrophobicContact CG2-CD1 4.16Å
125L76.9Confident87Confident162 Ų162128.4 Ų128.485%0.84864%0.636SS**  trans-78.5-18.4-175.7-64.8173.8000113.8
126K82.7Confident87Confident162 Ų162129.9 Ų129.970%0.70465%0.648SS**  trans-146.8136.1-177.7-64.4-177.4-179.1177.90110.5V124 N128 A129V124-K126 WeakPolarHBondContact CG1-O 3.42Å; K126-N128 VanDerWaalsContact C-N 3.28Å; K126-N128 PolarHBondContact O-N 3.17Å; K126-A129 PolarHBondContact O-N 3.48Å
127D75.2Confident87.1Confident156 Ų156128.8 Ų128.883%0.83465%0.649SS**THydrogen-bonded Turntrans-64.8-29.6-179.2-61.5-27.1000113.4
128N76.1Confident87.2Confident139 Ų139132.1 Ų132.174%0.74366%0.658SS**THydrogen-bonded Turntrans-103.940.2179.8-69.1-34.7000112.8K126 Q130K126-N128 VanDerWaalsContact C-N 3.28Å; K126-N128 PolarHBondContact O-N 3.17Å; N128-Q130 PolarHBondContact O-N 3.25Å
129A80.9Confident87.4Confident31 Ų31130.9 Ų130.926%0.25666%0.658SS.*  trans-65.8129.7175.600000111.1K126 E131 L132K126-A129 PolarHBondContact O-N 3.48Å; A129-E131 PolarHBondContact O-N 2.98Å; A129-E131 VanDerWaalsContact O-N 3.16Å; A129-L132 HydrophobicContact CB-CD1 4.36Å; A129-L132 HydrophobicContact CB-CG 4.49Å; A129-L132 PolarHBondContact O-N 2.97Å; A129-L132 VanDerWaalsContact O-N 3.08Å
130Q80.3Confident87.5Confident180 Ų180130.8 Ų130.884%0.84166%0.66SS**G310 helixtrans-58.7-28.1-180-172.3174.6-6.100112.8N128 L132 Q133N128-Q130 PolarHBondContact O-N 3.25Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 3.23Å; Q130-Q133 PolarHBondContact O-N 3.42Å
131E83.3Confident87.7Confident190 Ų190134.7 Ų134.789%0.88867%0.669SS**G310 helixtrans-69.1-24.2178.2-61.2-178.4-17900114.1A129A129-E131 PolarHBondContact O-N 2.98Å; A129-E131 VanDerWaalsContact O-N 3.16Å
132L85.8Confident87.9Confident115 Ų115134.8 Ų134.860%0.60266%0.66SS**G310 helixtrans-96.6-4.1-179.5-65174.9000112.6V124 A129 Q130V124-L132 HydrophobicContact CG1-CD1 3.82Å; V124-L132 HydrophobicContact CG2-CD1 4.16Å; A129-L132 HydrophobicContact CB-CD1 4.36Å; A129-L132 HydrophobicContact CB-CG 4.49Å; A129-L132 PolarHBondContact O-N 2.97Å; A129-L132 VanDerWaalsContact O-N 3.08Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 3.23Å
133Q88.4Confident88.3Confident118 Ų118130.9 Ų130.955%0.55165%0.648SS**SBendtrans-67.1145.8176.6-68.2-64.8-16.600110.4Q130Q130-Q133 PolarHBondContact O-N 3.42Å
134R90.4Very high88.9Confident221 Ų221127.2 Ų127.283%0.83464%0.636SS**PPolyproline II helixtrans-64.3152169.9-65.6-179-178.4179.91.5108.6
135P94.3Very high89.7Confident96 Ų96127.1 Ų127.162%0.62363%0.63SS**PPolyproline II helixtrans-52.8153168.6-24.134.1000111.5A139 V140P135-A139 HydrophobicContact CB-CB 4.46Å; P135-V140 HydrophobicContact CB-CG2 4.34Å
136D94.7Very high90.7Very high128 Ų128125.2 Ų125.268%0.68462%0.615SS**PPolyproline II helixtrans-54.4149.8-179.1-59.7-38.3000112.2E138 A139 V140D136-E138 PolarHBondContact O-N 3.28Å; D136-E138 VanDerWaalsContact O-N 3.17Å; D136-A139 WeakPolarHBondContact O-CB 3.38Å; D136-A139 PolarHBondContact O-N 2.68Å; D136-V140 WeakPolarHBondContact O-CG2 3.46Å; D136-V140 PolarHBondContact O-N 3.16Å
137E95.4Very high91.4Very high142 Ų142120.7 Ų120.766%0.66460%0.601SS**Hα-helixtrans-57.3-35.2-178.5-65.3-171.3-178.600112.7V140 R141E137-V140 PolarHBondContact O-N 2.6Å; E137-R141 VanDerWaalsContact O-CG 3.28Å; E137-R141 WeakPolarHBondContact O-CG 3.39Å; E137-R141 PolarHBondContact O-N 3.05Å; E137-R141 IonicContact OE2-NH2 3.43Å
138E96.3Very high92.5Very high160 Ų160119.3 Ų119.375%0.74858%0.584SS**Hα-helixtrans-66.2-44.2176.6-63.5-173.6167.300111.9D136 V140 R141 E142D136-E138 PolarHBondContact O-N 3.28Å; D136-E138 VanDerWaalsContact O-N 3.17Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 3.17Å; E138-R141 PolarHBondContact O-N 3.06Å; E138-E142 PolarHBondContact O-N 3.49Å
139A96.6Very high93.5Very high43 Ų43115.4 Ų115.436%0.35557%0.568SS.*Hα-helixtrans-63.8-38.2176.100000111.4P135 D136 E142 L143P135-A139 HydrophobicContact CB-CB 4.46Å; D136-A139 WeakPolarHBondContact O-CB 3.38Å; D136-A139 PolarHBondContact O-N 2.68Å; A139-E142 PolarHBondContact O-N 3.31Å; A139-L143 VanDerWaalsContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.03Å
140V97.2Very high94.3Very high66 Ų66116.4 Ų116.440%0.458%0.576SS.*Hα-helixtrans-64.4-43.51741750000110.9P135 D136 E137 E138 L143 T144P135-V140 HydrophobicContact CB-CG2 4.34Å; D136-V140 WeakPolarHBondContact O-CG2 3.46Å; D136-V140 PolarHBondContact O-N 3.16Å; E137-V140 PolarHBondContact O-N 2.6Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 3.17Å; V140-L143 PolarHBondContact O-N 2.96Å; V140-T144 VanDerWaalsContact O-CB 3.27Å; V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 2.88Å; V140-T144 PolarHBondContact O-OG1 3.04Å
141R97Very high95.2Very high169 Ų169112.2 Ų112.264%0.63856%0.559SS**Hα-helixtrans-62.6-44.3176.1-72.8174.1-165.9-177.18.9111.6E137 E138 T144 E145E137-R141 VanDerWaalsContact O-CG 3.28Å; E137-R141 WeakPolarHBondContact O-CG 3.39Å; E137-R141 PolarHBondContact O-N 3.05Å; E137-R141 IonicContact OE2-NH2 3.43Å; E138-R141 PolarHBondContact O-N 3.06Å; R141-T144 WeakPolarHBondContact O-CB 3.28Å; R141-T144 PolarHBondContact O-N 3.2Å; R141-E145 PolarHBondContact O-N 3.43Å
142E97.9Very high95.8Very high109 Ų109108.2 Ų108.251%0.50954%0.54SS..Hα-helixtrans-62.3-47.2176.9-169.9-169.3173.200111.7E138 A139 T144 E145 K146E138-E142 PolarHBondContact O-N 3.49Å; A139-E142 PolarHBondContact O-N 3.31Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 3.13Å; E142-E145 PolarHBondContact O-N 3.45Å; E142-K146 HydrophobicContact CG-CD 4.41Å; E142-K146 WeakPolarHBondContact O-CG 3.28Å; E142-K146 PolarHBondContact O-N 3.38Å; E142-K146 WeakPolarHBondContact OE1-CE 3.28Å; E142-K146 IonicContact OE1-NZ 3.76Å; E142-K146 PolarHBondContact OE1-NZ 3.5Å
143L97.9Very high96.3Very high114 Ų114109.6 Ų109.660%0.59754%0.541SS*.Hα-helixtrans-60.9-40.5176.1-17477.7000111.2A139 V140 K146 T147A139-L143 VanDerWaalsContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.03Å; V140-L143 PolarHBondContact O-N 2.96Å; L143-K146 PolarHBondContact O-N 3.43Å; L143-T147 VanDerWaalsContact O-CB 3.27Å; L143-T147 WeakPolarHBondContact O-CB 3.46Å; L143-T147 PolarHBondContact O-N 3.46Å; L143-T147 PolarHBondContact O-OG1 2.9Å
144T97.8Very high96.7Very high81 Ų81109.6 Ų109.650%0.49754%0.541SS..Hα-helixtrans-63-45.9178.3-60.10000110.6V140 R141 E142 T147 R148V140-T144 VanDerWaalsContact O-CB 3.27Å; V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 2.88Å; V140-T144 PolarHBondContact O-OG1 3.04Å; R141-T144 WeakPolarHBondContact O-CB 3.28Å; R141-T144 PolarHBondContact O-N 3.2Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 3.13Å; T144-T147 PolarHBondContact O-N 3.23Å; T144-R148 VanDerWaalsContact O-CB 3.24Å; T144-R148 WeakPolarHBondContact O-CB 3.25Å; T144-R148 PolarHBondContact O-N 2.82Å
145E97.9Very high97Very high88 Ų88102.8 Ų102.841%0.41152%0.524SS..Hα-helixtrans-66.6-41.6179-17157-144.600112.1R141 E142 T147 R148 S149R141-E145 PolarHBondContact O-N 3.43Å; E142-E145 PolarHBondContact O-N 3.45Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.26Å; E145-R148 VanDerWaalsContact CD-NH2 3.29Å; E145-R148 PolarHBondContact O-N 2.87Å; E145-R148 IonicContact OE1-CZ 3.27Å; E145-R148 IonicContact OE1-NE 3.93Å; E145-R148 IonicContact OE1-NH2 2.6Å; E145-R148 PolarHBondContact OE1-NH2 3.1Å; E145-R148 IonicContact OE2-CZ 2.7Å; E145-R148 IonicContact OE2-NE 3.57Å; E145-R148 PolarHBondContact OE2-NE 3.36Å; E145-R148 IonicContact OE2-NH1 2.87Å; E145-R148 IonicContact OE2-NH2 2.96Å; E145-R148 PolarHBondContact OE2-NH2 3.08Å; E145-R148 VanDerWaalsContact OE2-NH2 3.09Å; E145-S149 WeakPolarHBondContact O-CB 3.47Å; E145-S149 PolarHBondContact O-N 3.13Å; E145-S149 PolarHBondContact O-OG 3.35Å
146K98.3Very high96.9Very high121 Ų121101.1 Ų101.153%0.52652%0.515SS..Hα-helixtrans-61.2-42.5173.4-74.4177.5-176.51700112E142 L143 S149 A150E142-K146 HydrophobicContact CG-CD 4.41Å; E142-K146 WeakPolarHBondContact O-CG 3.28Å; E142-K146 PolarHBondContact O-N 3.38Å; E142-K146 WeakPolarHBondContact OE1-CE 3.28Å; E142-K146 IonicContact OE1-NZ 3.76Å; E142-K146 PolarHBondContact OE1-NZ 3.5Å; L143-K146 PolarHBondContact O-N 3.43Å; K146-S149 PolarHBondContact O-OG 2.93Å; K146-A150 WeakPolarHBondContact O-CB 3.31Å; K146-A150 PolarHBondContact O-N 2.9Å; K146-A150 VanDerWaalsContact O-N 3.13Å
147T98.1Very high96.7Very high68 Ų68101 Ų10142%0.41751%0.51SS..Hα-helixtrans-71.2-42.7-179.8-550000110.8L143 T144 E145 A150 L151L143-T147 VanDerWaalsContact O-CB 3.27Å; L143-T147 WeakPolarHBondContact O-CB 3.46Å; L143-T147 PolarHBondContact O-N 3.46Å; L143-T147 PolarHBondContact O-OG1 2.9Å; T144-T147 PolarHBondContact O-N 3.23Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.26Å; T147-A150 PolarHBondContact O-N 3.02Å; T147-L151 HydrophobicContact CG2-CD1 3.98Å; T147-L151 HydrophobicContact CG2-CG 4.36Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CG 3.3Å; T147-L151 WeakPolarHBondContact O-CG 2.94Å; T147-L151 PolarHBondContact O-N 3.35Å
148R97.8Very high96.6Very high126 Ų126102 Ų10248%0.47551%0.512SS..Hα-helixtrans-57.8-54.1176.5-173-174.578.71790.4110.8T144 E145 A150 L151 E152T144-R148 VanDerWaalsContact O-CB 3.24Å; T144-R148 WeakPolarHBondContact O-CB 3.25Å; T144-R148 PolarHBondContact O-N 2.82Å; E145-R148 VanDerWaalsContact CD-NH2 3.29Å; E145-R148 PolarHBondContact O-N 2.87Å; E145-R148 IonicContact OE1-CZ 3.27Å; E145-R148 IonicContact OE1-NE 3.93Å; E145-R148 IonicContact OE1-NH2 2.6Å; E145-R148 PolarHBondContact OE1-NH2 3.1Å; E145-R148 IonicContact OE2-CZ 2.7Å; E145-R148 IonicContact OE2-NE 3.57Å; E145-R148 PolarHBondContact OE2-NE 3.36Å; E145-R148 IonicContact OE2-NH1 2.87Å; E145-R148 IonicContact OE2-NH2 2.96Å; E145-R148 PolarHBondContact OE2-NH2 3.08Å; E145-R148 VanDerWaalsContact OE2-NH2 3.09Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 2.82Å; R148-L151 PolarHBondContact O-N 2.72Å; R148-L151 VanDerWaalsContact O-N 3.15Å; R148-E152 HydrophobicContact CG-CG 4.37Å; R148-E152 WeakPolarHBondContact CG-OE1 3.37Å; R148-E152 IonicContact NE-OE1 3.8Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.5Å; R148-E152 PolarHBondContact O-N 3.28Å
149S97.9Very high96.3Very high58 Ų5898.6 Ų98.641%0.40650%0.498SS..Hα-helixtrans-60.4-38.1179.656.30000112.8E145 K146 K153E145-S149 WeakPolarHBondContact O-CB 3.47Å; E145-S149 PolarHBondContact O-N 3.13Å; E145-S149 PolarHBondContact O-OG 3.35Å; K146-S149 PolarHBondContact O-OG 2.93Å; S149-K153 WeakPolarHBondContact O-CB 3.31Å; S149-K153 PolarHBondContact O-N 2.86Å; S149-K153 VanDerWaalsContact O-N 3.08Å
150A98.1Very high95.8Very high51 Ų5198.2 Ų98.242%0.42150%0.495SS..Hα-helixtrans-65.6-42.5174.700000112.6K146 T147 R148 K153 Q154K146-A150 WeakPolarHBondContact O-CB 3.31Å; K146-A150 PolarHBondContact O-N 2.9Å; K146-A150 VanDerWaalsContact O-N 3.13Å; T147-A150 PolarHBondContact O-N 3.02Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 2.82Å; A150-K153 PolarHBondContact O-N 2.86Å; A150-Q154 PolarHBondContact O-N 3.47Å
151L97.6Very high95.2Very high93 Ų9398.7 Ų98.749%0.48751%0.506SS..Hα-helixtrans-69.6-41.9178-70.3175.8000111.7T147 R148 K153 Q154 V155T147-L151 HydrophobicContact CG2-CD1 3.98Å; T147-L151 HydrophobicContact CG2-CG 4.36Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CG 3.3Å; T147-L151 WeakPolarHBondContact O-CG 2.94Å; T147-L151 PolarHBondContact O-N 3.35Å; R148-L151 PolarHBondContact O-N 2.72Å; R148-L151 VanDerWaalsContact O-N 3.15Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.42Å; L151-Q154 PolarHBondContact O-N 2.67Å; L151-V155 WeakPolarHBondContact O-CB 3.27Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.13Å; L151-V155 PolarHBondContact O-N 3.32Å
152E97.4Very high94.7Very high106 Ų10694.3 Ų94.350%0.49551%0.506SS..Hα-helixtrans-57.8-40.4173.8-76.1175.6-179.400111.5R148 Q154 V155 S156R148-E152 HydrophobicContact CG-CG 4.37Å; R148-E152 WeakPolarHBondContact CG-OE1 3.37Å; R148-E152 IonicContact NE-OE1 3.8Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.5Å; R148-E152 PolarHBondContact O-N 3.28Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 2.93Å; E152-V155 PolarHBondContact O-N 3.4Å; E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.11Å; E152-S156 PolarHBondContact O-OG 2.93Å
153K96.3Very high93.9Very high143 Ų14394.3 Ų94.362%0.62251%0.507SS*.Hα-helixtrans-62.2-39.3174-173.9175.7179.5176.40112.6S149 A150 L151 S156 Q157S149-K153 WeakPolarHBondContact O-CB 3.31Å; S149-K153 PolarHBondContact O-N 2.86Å; S149-K153 VanDerWaalsContact O-N 3.08Å; A150-K153 PolarHBondContact O-N 2.86Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.42Å; K153-S156 WeakPolarHBondContact CA-OG 3.47Å; K153-S156 PolarHBondContact O-OG 3.27Å; K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 2.94Å
154Q95.7Very high92.3Very high119 Ų11995.1 Ų95.156%0.55652%0.519SS*.Hα-helixtrans-71.7-41.6176-68.1-178.34.100112.1A150 L151 E152 Q157 K158A150-Q154 PolarHBondContact O-N 3.47Å; L151-Q154 PolarHBondContact O-N 2.67Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 2.93Å; Q154-Q157 WeakPolarHBondContact O-CB 3.44Å; Q154-Q157 PolarHBondContact O-N 3.46Å; Q154-K158 WeakPolarHBondContact O-CG 3.39Å; Q154-K158 PolarHBondContact O-N 2.97Å
155V96.3Very high90.8Very high78 Ų7897.8 Ų97.847%0.47354%0.535SS..Hα-helixtrans-65.2-44.1-179.9169.60000110.8L151 E152 Q157 K158 I159L151-V155 WeakPolarHBondContact O-CB 3.27Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.13Å; L151-V155 PolarHBondContact O-N 3.32Å; E152-V155 PolarHBondContact O-N 3.4Å; V155-Q157 VanDerWaalsContact C-N 3.3Å; V155-Q157 PolarHBondContact O-N 3.41Å; V155-K158 CarbonylContact O-C 3.57Å; V155-K158 WeakPolarHBondContact O-CA 2.88Å; V155-K158 WeakPolarHBondContact O-CB 3.39Å; V155-K158 PolarHBondContact O-N 3.21Å; V155-I159 HydrophobicContact CG1-CD1 3.59Å; V155-I159 HydrophobicContact CG1-CG1 4.1Å; V155-I159 WeakPolarHBondContact O-CG1 3.38Å; V155-I159 PolarHBondContact O-N 3Å
156S92.4Very high89.2Confident61 Ų6199.3 Ų99.343%0.42754%0.537SS..Hα-helixtrans-58.4-38.6175.754.30000112.7E152 K153 K158 I159 A160E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.11Å; E152-S156 PolarHBondContact O-OG 2.93Å; K153-S156 WeakPolarHBondContact CA-OG 3.47Å; K153-S156 PolarHBondContact O-OG 3.27Å; S156-K158 VanDerWaalsContact C-N 3.34Å; S156-K158 PolarHBondContact O-N 3.03Å; S156-I159 PolarHBondContact O-N 3.22Å; S156-A160 VanDerWaalsContact O-CB 3.29Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.35Å
157Q90.6Very high87.5Confident126 Ų12697.8 Ų97.859%0.58955%0.547SS*.Hα-helixtrans-63.1-38.6172.8-69.5175.3-1.600112.5K153 Q154 V155 A161K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 2.94Å; Q154-Q157 WeakPolarHBondContact O-CB 3.44Å; Q154-Q157 PolarHBondContact O-N 3.46Å; V155-Q157 VanDerWaalsContact C-N 3.3Å; V155-Q157 PolarHBondContact O-N 3.41Å; Q157-A161 PolarHBondContact O-N 3Å
158K93.3Very high86.1Confident163 Ų16398.3 Ų98.371%0.70956%0.558SS**Hα-helixtrans-70.9-42176.9-65-65.2-177-179.90112.1Q154 V155 S156 A161 A162Q154-K158 WeakPolarHBondContact O-CG 3.39Å; Q154-K158 PolarHBondContact O-N 2.97Å; V155-K158 CarbonylContact O-C 3.57Å; V155-K158 WeakPolarHBondContact O-CA 2.88Å; V155-K158 WeakPolarHBondContact O-CB 3.39Å; V155-K158 PolarHBondContact O-N 3.21Å; S156-K158 VanDerWaalsContact C-N 3.34Å; S156-K158 PolarHBondContact O-N 3.03Å; K158-A161 PolarHBondContact O-N 3.34Å; K158-A162 PolarHBondContact O-N 3.34Å
159I90.8Very high84.9Confident88 Ų8898.4 Ų98.445%0.45157%0.568SS.*Hα-helixtrans-62.3-45.3175.6-67.1170.7000110V155 S156 A161 A162 M163V155-I159 HydrophobicContact CG1-CD1 3.59Å; V155-I159 HydrophobicContact CG1-CG1 4.1Å; V155-I159 WeakPolarHBondContact O-CG1 3.38Å; V155-I159 PolarHBondContact O-N 3Å; S156-I159 PolarHBondContact O-N 3.22Å; I159-A161 PolarHBondContact O-N 3.13Å; I159-A162 PolarHBondContact O-N 3.45Å; I159-M163 HydrophobicContact CG2-CE 4.37Å; I159-M163 HydrophobicContact CG2-CG 4.36Å; I159-M163 HydrophobicContact CG2-SD 4.4Å; I159-M163 PolarHBondContact O-N 2.93Å; I159-M163 VanDerWaalsContact O-N 3.14Å
160A86.4Confident83.9Confident35 Ų35105.2 Ų105.229%0.28959%0.59SS.*Hα-helixtrans-57.4-37.8177.800000112.1S156 A162 R166S156-A160 VanDerWaalsContact O-CB 3.29Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.35Å; A160-A162 VanDerWaalsContact C-N 3.32Å; A160-A162 PolarHBondContact O-N 2.78Å; A160-R166 VanDerWaalsContact O-CZ 3.26Å; A160-R166 PolarHBondContact O-NE 2.84Å; A160-R166 VanDerWaalsContact O-NE 3.12Å; A160-R166 PolarHBondContact O-NH2 3.46Å
161A84.3Confident82.9Confident76 Ų76108 Ų10863%0.62859%0.594SS**Hα-helixtrans-68.8-26.4175.600000113.9Q157 K158 I159Q157-A161 PolarHBondContact O-N 3Å; K158-A161 PolarHBondContact O-N 3.34Å; I159-A161 PolarHBondContact O-N 3.13Å
162A86.5Confident82.1Confident77 Ų77105.7 Ų105.764%0.63659%0.589SS**Hα-helixtrans-89.3-19.3-177.300000114.1K158 I159 A160 P164K158-A162 PolarHBondContact O-N 3.34Å; I159-A162 PolarHBondContact O-N 3.45Å; A160-A162 VanDerWaalsContact C-N 3.32Å; A160-A162 PolarHBondContact O-N 2.78Å; A162-P164 VanDerWaalsContact O-CD 3.26Å; A162-P164 WeakPolarHBondContact O-CD 3.35Å
163M79.8Confident81.7Confident109 Ų109106 Ų10654%0.53760%0.6SS.*  trans-77115.3177.9-68.9-163.5-64.300111.1I159I159-M163 HydrophobicContact CG2-CE 4.37Å; I159-M163 HydrophobicContact CG2-CG 4.36Å; I159-M163 HydrophobicContact CG2-SD 4.4Å; I159-M163 PolarHBondContact O-N 2.93Å; I159-M163 VanDerWaalsContact O-N 3.14Å
164P66Low81.4Confident131 Ų131101 Ų10185%0.85159%0.585SS**SBendtrans-74.2-30.7-172.4-18.532.7000114.6A162A162-P164 VanDerWaalsContact O-CD 3.26Å; A162-P164 WeakPolarHBondContact O-CD 3.35Å
165V66.3Low81.4Confident136 Ų136101.3 Ų101.382%0.82459%0.587SS**SBendtrans-110.6101.1-179.4-169.20000107.1
166R63.6Low81.4Confident121 Ų121104.9 Ų104.946%0.45759%0.593SS.*PPolyproline II helixtrans-92132175.4-65.5-172.8179.8-1722.6109.1A160A160-R166 VanDerWaalsContact O-CZ 3.26Å; A160-R166 PolarHBondContact O-NE 2.84Å; A160-R166 VanDerWaalsContact O-NE 3.12Å; A160-R166 PolarHBondContact O-NH2 3.46Å
167A63.1Low81.5Confident88 Ų88105.5 Ų105.573%0.72759%0.591SS**PPolyproline II helixtrans-60.3141.5156.200000107.8D169A167-D169 PolarHBondContact O-N 3.31Å
168A68.4Low81.8Confident80 Ų80107.9 Ų107.966%0.66159%0.594SS**PPolyproline II helixtrans-55125.5178.200000109.7K170A168-K170 PolarHBondContact O-N 3Å
169D72.7Confident81.9Confident127 Ų127105.1 Ų105.168%0.67958%0.58SS**PPolyproline II helixtrans-61129.4179.7-67.5-40.8000109A167 Q171A167-D169 PolarHBondContact O-N 3.31Å; D169-Q171 PolarHBondContact O-N 2.96Å
170K76.2Confident82.1Confident202 Ų202104 Ų10488%0.87858%0.578SS**PPolyproline II helixtrans-69.1128.6174.8-68.5-177.9-179.7-179.90108.5A168 A172A168-K170 PolarHBondContact O-N 3Å; K170-A172 PolarHBondContact O-N 2.87Å
171Q76.6Confident82.5Confident108 Ų108103 Ų10351%0.50557%0.568SS.*PPolyproline II helixtrans-59.4130.2178.7-69.6176.910.400110.8D169 Q203D169-Q171 PolarHBondContact O-N 2.96Å; Q171-Q203 VanDerWaalsContact NE2-CB 3.28Å; Q171-Q203 VanDerWaalsContact NE2-CG 3.28Å
172A81.4Confident82.9Confident45 Ų45104.8 Ų104.837%0.37258%0.576SS.*PPolyproline II helixtrans-65149.5171.300000110.8K170K170-A172 PolarHBondContact O-N 2.87Å
173P88Confident83Confident113 Ų113107.3 Ų107.373%0.73458%0.575SS**PPolyproline II helixtrans-64.2151.4175.727.5-34.7000111.4Q175P173-Q175 PolarHBondContact O-N 3.09Å
174A91.3Very high83.5Confident37 Ų37108 Ų10831%0.30658%0.577SS.*PPolyproline II helixtrans-59.7129.9178.700000111.5R198 M199 V200A174-R198 HydrophobicContact CB-CG 4.18Å; A174-M199 WeakPolarHBondContact CA-O 3.46Å; A174-V200 HydrophobicContact CB-CG2 3.89Å
175Q95.2Very high84.6Confident127 Ų127103.7 Ų103.759%0.59356%0.555SS**EExtended strand (participates in β ladder)trans-104138.3178.7-64.9-178-1.400110.4P173 R198 M199P173-Q175 PolarHBondContact O-N 3.09Å; Q175-R198 CarbonylContact O-C 3.58Å; Q175-R198 WeakPolarHBondContact O-CA 3.3Å; Q175-M199 HydrophobicContact CB-CB 4.43Å; Q175-M199 PolarHBondContact N-O 3.48Å; Q175-M199 PolarHBondContact O-N 3.33Å
176Y95.8Very high85.6Confident152 Ų152103.6 Ų103.660%0.59656%0.555SS**EExtended strand (participates in β ladder)trans-105.9122174.7-67-92.1000109.8V196 I197 R198Y176-V196 HydrophobicContact CD1-CG1 4.05Å; Y176-I197 WeakPolarHBondContact CA-O 3.47Å; Y176-R198 HydrophobicContact CD1-CB 3.9Å; Y176-R198 HydrophobicContact CD1-CG 4.2Å; Y176-R198 HydrophobicContact CE1-CB 3.64Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å
177I96Very high86.8Confident74 Ų74102.5 Ų102.538%0.37957%0.572SS.*EExtended strand (participates in β ladder)trans-109.5135.8175.562.8175.4000110V196 I197 M199I177-V196 CarbonylContact O-C 3.59Å; I177-V196 WeakPolarHBondContact O-CA 3.46Å; I177-I197 HydrophobicContact CD1-CB 4.18Å; I177-I197 HydrophobicContact CD1-CD1 4.37Å; I177-I197 HydrophobicContact CG1-CB 3.71Å; I177-I197 HydrophobicContact CG1-CG2 4.41Å; I177-I197 PolarHBondContact N-O 3.2Å; I177-I197 PolarHBondContact O-N 3.29Å; I177-M199 HydrophobicContact CD1-CG 3.89Å; I177-M199 HydrophobicContact CD1-SD 4.19Å; I177-M199 HydrophobicContact CG1-CG 4.14Å; I177-M199 HydrophobicContact CG2-CG 4.5Å
178R96.4Very high87.9Confident176 Ų176103.1 Ų103.166%0.66456%0.558SS**EExtended strand (participates in β ladder)trans-93.6112.9172.6-179-175.9-67.6-84-1.8108.4Q194R178-Q194 VanDerWaalsContact CD-OE1 3.28Å; R178-Q194 VanDerWaalsContact NH1-OE1 3.08Å
179Y95.6Very high88.8Confident106 Ų106101.5 Ų101.542%0.41654%0.538SS..EExtended strand (participates in β ladder)trans-107.3129.2-178.7-179.9-113.3000110.8P181 Q194 R195Y179-P181 HydrophobicContact CD1-CG 3.9Å; Y179-P181 HydrophobicContact CE1-CB 3.92Å; Y179-P181 HydrophobicContact CE1-CG 3.76Å; Y179-P181 WeakPolarHBondContact O-CD 3.24Å; Y179-Q194 WeakPolarHBondContact O-CA 3.37Å; Y179-R195 HydrophobicContact CD1-CG 4.07Å; Y179-R195 PolarHBondContact N-O 2.71Å; Y179-R195 PolarHBondContact O-N 3.35Å
180T95.4Very high89.5Confident65 Ų65101.7 Ų101.740%0.39955%0.55SS..  trans-103.5108.2170.5-52.50000107.7Q194T180-Q194 HydrophobicContact CG2-CG 4.29Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.46Å; T180-Q194 PolarHBondContact OG1-NE2 3.09Å
181P94.2Very high90Very high12 Ų1294 Ų948%0.07853%0.528CS..  trans-62139.4176.4-21.733.6000111.6Y179 Q184 K193Y179-P181 HydrophobicContact CD1-CG 3.9Å; Y179-P181 HydrophobicContact CE1-CB 3.92Å; Y179-P181 HydrophobicContact CE1-CG 3.76Å; Y179-P181 WeakPolarHBondContact O-CD 3.24Å; P181-Q184 WeakPolarHBondContact O-CG 3.42Å; P181-Q184 PolarHBondContact O-NE2 3.24Å; P181-K193 WeakPolarHBondContact CD-O 3.49Å
182S92.9Very high90.6Very high115 Ų11591.4 Ų91.480%0.80453%0.525SS*.SBendtrans-71.3-36.7173.455.80000111.7Q184S182-Q184 PolarHBondContact O-N 3.4Å
183Q89.2Confident91.1Very high130 Ų13097.1 Ų97.161%0.60754%0.542SS*.SBendtrans-81102.4170.9-168.5175.732.600109F188Q183-F188 HydrophobicContact CG-CD2 4.42Å; Q183-F188 HydrophobicContact CG-CE2 4.26Å
184Q89.6Confident91.4Very high124 Ų12495.5 Ų95.558%0.57952%0.524SS*.  trans-104.4144.8176.8-61.6-174.94.200110.1P181 S182P181-Q184 WeakPolarHBondContact O-CG 3.42Å; P181-Q184 PolarHBondContact O-NE2 3.24Å; S182-Q184 PolarHBondContact O-N 3.4Å
185G87.9Confident91.5Very high39 Ų3998.7 Ų98.740%0.40253%0.529SS..  trans177.3150175.100000109.6A187 F188G185-A187 PolarHBondContact O-N 3.46Å; G185-F188 PolarHBondContact O-N 3.09Å; G185-F188 VanDerWaalsContact O-O 3.1Å
186V87.4Confident91.6Very high134 Ų13496.8 Ų96.881%0.81253%0.525SS*.THydrogen-bonded Turntrans-62.5-29.9-176-175.20000111.4F188 G191V186-F188 VanDerWaalsContact C-N 3.32Å; V186-F188 PolarHBondContact O-N 2.86Å; V186-G191 WeakPolarHBondContact O-CA 3.24Å; V186-G191 PolarHBondContact O-N 3.43Å
187A90.1Very high91.5Very high99 Ų9992.5 Ų92.582%0.81851%0.512SS*.THydrogen-bonded Turntrans-74.1-16.7174.300000114.2G185G185-A187 PolarHBondContact O-N 3.46Å
188F85.8Confident91.6Very high101 Ų10196.4 Ų96.444%0.44352%0.522SS..SBendtrans-98.9146.8179-66.5-71.5000110.8Q183 G185 V186 S190 G191Q183-F188 HydrophobicContact CG-CD2 4.42Å; Q183-F188 HydrophobicContact CG-CE2 4.26Å; G185-F188 PolarHBondContact O-N 3.09Å; G185-F188 VanDerWaalsContact O-O 3.1Å; V186-F188 VanDerWaalsContact C-N 3.32Å; V186-F188 PolarHBondContact O-N 2.86Å; F188-S190 PolarHBondContact O-N 2.92Å; F188-S190 VanDerWaalsContact O-N 3.13Å; F188-G191 PolarHBondContact O-N 2.74Å; F188-G191 VanDerWaalsContact O-N 3.08Å
189N86.3Confident91.5Very high45 Ų4592.8 Ų92.824%0.24151%0.514CS..G310 helixtrans53.434.6176.1-161.839.5000113.4G191 A192 Q194 R195N189-G191 PolarHBondContact O-N 3.38Å; N189-G191 VanDerWaalsContact O-N 3.1Å; N189-A192 WeakPolarHBondContact CB-O 3.47Å; N189-A192 PolarHBondContact ND2-O 3.2Å; N189-A192 VanDerWaalsContact O-CB 3.31Å; N189-A192 WeakPolarHBondContact O-CB 3.4Å; N189-A192 PolarHBondContact O-N 2.83Å; N189-Q194 VanDerWaalsContact ND2-C 3.35Å; N189-Q194 PolarHBondContact ND2-O 3.08Å; N189-R195 PolarHBondContact OD1-NE 3.5Å
190S88.6Confident91.4Very high131 Ų13192 Ų9292%0.91652%0.519SS*.G310 helixtrans50.734.4-177.3-51.60000113.7F188 A192F188-S190 PolarHBondContact O-N 2.92Å; F188-S190 VanDerWaalsContact O-N 3.13Å; S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 3.15Å
191G85.4Confident91.2Very high42 Ų4295.2 Ų95.243%0.43353%0.53SS..G310 helixtrans79.5-2.5-177.800000115.1V186 F188 N189V186-G191 WeakPolarHBondContact O-CA 3.24Å; V186-G191 PolarHBondContact O-N 3.43Å; F188-G191 PolarHBondContact O-N 2.74Å; F188-G191 VanDerWaalsContact O-N 3.08Å; N189-G191 PolarHBondContact O-N 3.38Å; N189-G191 VanDerWaalsContact O-N 3.1Å
192A90.3Very high91Very high53 Ų53101.6 Ų101.644%0.43856%0.561SS.*  trans-79133.4177.600000111.6N189 S190 Q194N189-A192 WeakPolarHBondContact CB-O 3.47Å; N189-A192 PolarHBondContact ND2-O 3.2Å; N189-A192 VanDerWaalsContact O-CB 3.31Å; N189-A192 WeakPolarHBondContact O-CB 3.4Å; N189-A192 PolarHBondContact O-N 2.83Å; S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 3.15Å; A192-Q194 VanDerWaalsContact C-N 3.26Å; A192-Q194 PolarHBondContact O-N 3.44Å
193K91.8Very high90.7Very high164 Ų164103.2 Ų103.271%0.71356%0.555SS**SBendtrans-68.6-24.4177.7-66.4-179.6179.8177.40113.5P181P181-K193 WeakPolarHBondContact CD-O 3.49Å
194Q94.9Very high90.5Very high80 Ų80104 Ų10437%0.37456%0.557SS.*  trans-136.8159.1-176.8-63.3-175.9-26.400110.3R178 Y179 T180 N189 A192R178-Q194 VanDerWaalsContact CD-OE1 3.28Å; R178-Q194 VanDerWaalsContact NH1-OE1 3.08Å; Y179-Q194 WeakPolarHBondContact O-CA 3.37Å; T180-Q194 HydrophobicContact CG2-CG 4.29Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.46Å; T180-Q194 PolarHBondContact OG1-NE2 3.09Å; N189-Q194 VanDerWaalsContact ND2-C 3.35Å; N189-Q194 PolarHBondContact ND2-O 3.08Å; A192-Q194 VanDerWaalsContact C-N 3.26Å; A192-Q194 PolarHBondContact O-N 3.44Å
195R93.7Very high90.4Very high104 Ų104102 Ų10239%0.39255%0.551SS.*EExtended strand (participates in β ladder)trans-131.1145.8169.265.1-175.478.5176.27.7110Y179 N189 I197Y179-R195 HydrophobicContact CD1-CG 4.07Å; Y179-R195 PolarHBondContact N-O 2.71Å; Y179-R195 PolarHBondContact O-N 3.35Å; N189-R195 PolarHBondContact OD1-NE 3.5Å; R195-I197 HydrophobicContact CG-CD1 4.4Å; R195-I197 HydrophobicContact CG-CG1 4.24Å
196V95.6Very high90.3Very high87 Ų87105 Ų10553%0.52756%0.563SS.*EExtended strand (participates in β ladder)trans-100.7127.2173.8-177.50000107.7Y176 I177Y176-V196 HydrophobicContact CD1-CG1 4.05Å; I177-V196 CarbonylContact O-C 3.59Å; I177-V196 WeakPolarHBondContact O-CA 3.46Å
197I95.4Very high90.2Very high61 Ų61106.3 Ų106.331%0.31356%0.562SS.*EExtended strand (participates in β ladder)trans-114.2127.5-178.3-55.6170.1000107.7Y176 I177 R195 M199Y176-I197 WeakPolarHBondContact CA-O 3.47Å; I177-I197 HydrophobicContact CD1-CB 4.18Å; I177-I197 HydrophobicContact CD1-CD1 4.37Å; I177-I197 HydrophobicContact CG1-CB 3.71Å; I177-I197 HydrophobicContact CG1-CG2 4.41Å; I177-I197 PolarHBondContact N-O 3.2Å; I177-I197 PolarHBondContact O-N 3.29Å; R195-I197 HydrophobicContact CG-CD1 4.4Å; R195-I197 HydrophobicContact CG-CG1 4.24Å; I197-M199 HydrophobicContact CG2-CG 4.46Å; I197-M199 HydrophobicContact CG2-SD 3.94Å
198R96.3Very high90Very high157 Ų157104.6 Ų104.659%0.59254%0.537SS*.EExtended strand (participates in β ladder)trans-88.7109.5171.4-175.8-177172.1177.9-3.2108.9A174 Q175 Y176 V200A174-R198 HydrophobicContact CB-CG 4.18Å; Q175-R198 CarbonylContact O-C 3.58Å; Q175-R198 WeakPolarHBondContact O-CA 3.3Å; Y176-R198 HydrophobicContact CD1-CB 3.9Å; Y176-R198 HydrophobicContact CD1-CG 4.2Å; Y176-R198 HydrophobicContact CE1-CB 3.64Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å; R198-V200 HydrophobicContact CG-CG2 4.18Å
199M95.1Very high90.2Very high100 Ų100104.4 Ų104.449%0.49355%0.546SS..EExtended strand (participates in β ladder)trans-88.9125.2174.3-62.9-63.7-69.400109.6A174 Q175 I177 I197A174-M199 WeakPolarHBondContact CA-O 3.46Å; Q175-M199 HydrophobicContact CB-CB 4.43Å; Q175-M199 PolarHBondContact N-O 3.48Å; Q175-M199 PolarHBondContact O-N 3.33Å; I177-M199 HydrophobicContact CD1-CG 3.89Å; I177-M199 HydrophobicContact CD1-SD 4.19Å; I177-M199 HydrophobicContact CG1-CG 4.14Å; I177-M199 HydrophobicContact CG2-CG 4.5Å; I197-M199 HydrophobicContact CG2-CG 4.46Å; I197-M199 HydrophobicContact CG2-SD 3.94Å
200V94.1Very high90.4Very high88 Ų88107.9 Ų107.953%0.53357%0.571SS.*  trans-128.3129.4173.9-175.90000107.3A174 R198 M202A174-V200 HydrophobicContact CB-CG2 3.89Å; R198-V200 HydrophobicContact CG-CG2 4.18Å; V200-M202 PolarHBondContact O-N 2.83Å
201E89.9Confident90.6Very high134 Ų134109 Ų10963%0.62656%0.555SS**PPolyproline II helixtrans-70127.3175.2-174.2172-168.600109.7Q203E201-Q203 PolarHBondContact O-N 3.36Å
202M89.9Confident91Very high146 Ų146115.2 Ų115.272%0.71957%0.57SS**PPolyproline II helixtrans-68.5128.4178.8-175.1173.167.700109.6V200 K204V200-M202 PolarHBondContact O-N 2.83Å; M202-K204 PolarHBondContact O-N 3.06Å
203Q87.7Confident91.1Very high148 Ų148121.8 Ų121.869%0.69259%0.589SS**PPolyproline II helixtrans-57.3124.2177.2-168.1169.9-6.500110.5Q171 E201Q171-Q203 VanDerWaalsContact NE2-CB 3.28Å; Q171-Q203 VanDerWaalsContact NE2-CG 3.28Å; E201-Q203 PolarHBondContact O-N 3.36Å
204K85.2Confident91.2Very high147 Ų147121.5 Ų121.564%0.63959%0.594SS**PPolyproline II helixtrans-89.5133177.6-169.2177.4179.4-175.50110.3M202M202-K204 PolarHBondContact O-N 3.06Å
205D87.2Confident91.2Very high83 Ų83123.9 Ų123.944%0.44461%0.609SS.*PPolyproline II helixtrans-73.2122.9175.81772.2000110.1M207 E208D205-M207 PolarHBondContact O-N 2.88Å; D205-M207 PolarHBondContact OD1-N 2.85Å; D205-E208 HydrophobicContact CB-CB 3.81Å; D205-E208 PolarHBondContact O-N 2.9Å
206P84.8Confident91.3Very high101 Ų101127.3 Ų127.366%0.65663%0.627SS**THydrogen-bonded Turntrans-66.9-19.717828.1-35.7000113.9
207M86.1Confident91.3Very high161 Ų161133 Ų13379%0.79365%0.645SS**THydrogen-bonded Turntrans-96.3-2.2178.4-60.4-59.6-71.600112.8D205 P209D205-M207 PolarHBondContact O-N 2.88Å; D205-M207 PolarHBondContact OD1-N 2.85Å; M207-P209 WeakPolarHBondContact O-CD 3.42Å
208E86.2Confident91.2Very high63 Ų63136.6 Ų136.629%0.29466%0.663SS.*PPolyproline II helixtrans-74.6122.6179.6-179.7175.2-154.900111D205 R211D205-E208 HydrophobicContact CB-CB 3.81Å; D205-E208 PolarHBondContact O-N 2.9Å; E208-R211 VanDerWaalsContact CD-NH2 3.33Å; E208-R211 IonicContact OE1-CZ 3.39Å; E208-R211 IonicContact OE1-NE 2.71Å; E208-R211 PolarHBondContact OE1-NE 3.46Å; E208-R211 IonicContact OE1-NH2 3.57Å; E208-R211 PolarHBondContact OE1-NH2 3.45Å; E208-R211 IonicContact OE2-CZ 3.18Å; E208-R211 IonicContact OE2-NE 3.09Å; E208-R211 PolarHBondContact OE2-NE 3.34Å; E208-R211 IonicContact OE2-NH2 3.7Å; E208-R211 PolarHBondContact OE2-NH2 3.47Å
209P89.2Confident91.3Very high97 Ų97134.8 Ų134.863%0.6367%0.671SS**PPolyproline II helixtrans-70.4165.1175.830.2-35.3000111.9M207 R211M207-P209 WeakPolarHBondContact O-CD 3.42Å; P209-R211 PolarHBondContact O-N 3.45Å; P209-R211 VanDerWaalsContact O-N 3.14Å
210P90.6Very high91.3Very high118 Ų118141.9 Ų141.977%0.76669%0.693SS**PPolyproline II helixtrans-54.6120.5175.2-26.235.1000113F212P210-F212 PolarHBondContact O-N 3.01Å
211R92.4Very high91.2Very high156 Ų156140.1 Ų140.159%0.58969%0.692SS**SBendtrans-65-33.2-174.1-65.8-176179.4-169.8-2.2115.2E208 P209E208-R211 VanDerWaalsContact CD-NH2 3.33Å; E208-R211 IonicContact OE1-CZ 3.39Å; E208-R211 IonicContact OE1-NE 2.71Å; E208-R211 PolarHBondContact OE1-NE 3.46Å; E208-R211 IonicContact OE1-NH2 3.57Å; E208-R211 PolarHBondContact OE1-NH2 3.45Å; E208-R211 IonicContact OE2-CZ 3.18Å; E208-R211 IonicContact OE2-NE 3.09Å; E208-R211 PolarHBondContact OE2-NE 3.34Å; E208-R211 IonicContact OE2-NH2 3.7Å; E208-R211 PolarHBondContact OE2-NH2 3.47Å; P209-R211 PolarHBondContact O-N 3.45Å; P209-R211 VanDerWaalsContact O-N 3.14Å
212F94.5Very high91.4Very high171 Ų171139.9 Ų139.975%0.7570%0.702SS**SBendtrans-127.2148.6-170-54-66.4000112.2P210 I214P210-F212 PolarHBondContact O-N 3.01Å; F212-I214 PolarHBondContact O-N 3.28Å
213K93.1Very high91.7Very high191 Ų191138.4 Ų138.483%0.8370%0.704SS**  trans-75.6115.5174.5-64.1-176.1-178.7179.80110.3
214I93.8Very high91.9Very high159 Ų159135 Ų13582%0.81570%0.696SS**  trans-91.8-9.3-178.5-55.5170.9000112.1F212 K216F212-I214 PolarHBondContact O-N 3.28Å; I214-K216 PolarHBondContact O-N 3.22Å
215N95Very high92.2Very high129 Ų129130.4 Ų130.469%0.6968%0.681SS**  trans-75.88.8-175.167-25.6000115.1K217N215-K217 PolarHBondContact O-N 3.41Å
216K94.7Very high92.5Very high177 Ų177132 Ų13277%0.7770%0.696SS**  trans-68.4105.8176.9-172.5177-178.31790109.6I214I214-K216 PolarHBondContact O-N 3.22Å
217K95.5Very high92.9Very high207 Ų207130.8 Ų130.890%0.969%0.694SS**  trans-78.7122.2175.6-63.7-178.8-177.7179.30109.5N215N215-K217 PolarHBondContact O-N 3.41Å
218I94.8Very high93.4Very high136 Ų136125.2 Ų125.270%0.69767%0.67SS**  trans-106.9147.8173.154.4174.5000109.4
219P96.6Very high93.8Very high118 Ų118127.3 Ų127.377%0.76669%0.687SS**PPolyproline II helixtrans-59.7152.8171.327.1-34.1000109.7G221P219-G221 PolarHBondContact O-N 2.82Å
220R95.3Very high94Very high250 Ų250125.6 Ų125.694%0.94367%0.671SS**PPolyproline II helixtrans-60.2130.3174.4-171178.8-73-168.1-1.9108.3
221G93.2Very high94.2Very high51 Ų51126.9 Ų126.953%0.52667%0.667SS.*PPolyproline II helixtrans-60.4167.8174.300000111.9P219P219-G221 PolarHBondContact O-N 2.82Å
222P94.7Very high94.3Very high128 Ų128124.2 Ų124.283%0.83167%0.672SS**PPolyproline II helixtrans-56.9143.8174.426.3-33.8000109.9
223P94.3Very high94.3Very high116 Ų116121.8 Ų121.875%0.75367%0.674SS**PPolyproline II helixtrans-64.2168.9172.430.8-35.3000110.1
224S92.1Very high94.3Very high75 Ų75118.1 Ų118.152%0.52467%0.672SS.*SBendtrans-55.1143.4165.156.50000109.9
225P92.5Very high94.3Very high52 Ų52120.7 Ų120.734%0.33867%0.671SS.*  trans-36.9132.3172.8-28.118.6000112.7Q104 Q106 A227Q104-P225 WeakPolarHBondContact O-CG 3.31Å; Q106-P225 VanDerWaalsContact NE2-CD 3.27Å; P225-A227 PolarHBondContact O-N 3.33Å
226P93.1Very high94.3Very high117 Ų117123.7 Ų123.776%0.7668%0.678SS**PPolyproline II helixtrans-62131.3-173.526.1-33.9000110
227A93.8Very high94.3Very high74 Ų74120.2 Ų120.261%0.61267%0.666SS**PPolyproline II helixtrans-68.3143.5173.700000109.8P225 V229P225-A227 PolarHBondContact O-N 3.33Å; A227-V229 PolarHBondContact O-N 2.88Å
228P95.6Very high94.4Very high45 Ų45114.1 Ų114.129%0.29265%0.646SS.*PPolyproline II helixtrans-56.3135.3171.8-25.135.8000111.3A102 I112 M230A102-P228 HydrophobicContact CB-CG 3.76Å; I112-P228 HydrophobicContact CG2-CG 4.16Å; P228-M230 PolarHBondContact O-N 3.43Å
229V95.6Very high94.5Very high107 Ų107112.9 Ų112.965%0.64865%0.645SS**  trans-86.3109.8-178.1-179.30000109.2A227 H231A227-V229 PolarHBondContact O-N 2.88Å; V229-H231 VanDerWaalsContact CG1-CD2 3.48Å; V229-H231 WeakPolarHBondContact CG1-CD2 3.49Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.31Å; V229-H231 WeakPolarHBondContact CG1-ND1 3.47Å; V229-H231 VanDerWaalsContact CG1-NE2 3.28Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.47Å; V229-H231 PolarHBondContact O-N 3.43Å
230M93.7Very high94.5Very high60 Ų60114 Ų11430%0.29664%0.638SS.*  trans-93.965-174.7-60-59-8800110.7F113 K115 D118 L119 P228F113-M230 HydrophobicContact CB-CE 4.44Å; F113-M230 HydrophobicContact CB-CG 4.5Å; K115-M230 WeakPolarHBondContact O-CE 3.39Å; D118-M230 HydrophobicContact CB-CE 3.89Å; L119-M230 HydrophobicContact CD1-CE 4.09Å; L119-M230 HydrophobicContact CD2-CB 3.66Å; L119-M230 HydrophobicContact CD2-CE 4.33Å; L119-M230 WeakPolarHBondContact CD2-O 3.5Å; L119-M230 HydrophobicContact CG-CB 4.27Å; L119-M230 HydrophobicContact CG-CE 3.62Å; L119-M230 HydrophobicContact CG-SD 4.44Å; P228-M230 PolarHBondContact O-N 3.43Å
231H94.1Very high94.6Very high145 Ų145104.2 Ų104.267%0.67160%0.602SS**PPolyproline II helixtrans-88.6158174.8-67.2169.9000111.6V229V229-H231 VanDerWaalsContact CG1-CD2 3.48Å; V229-H231 WeakPolarHBondContact CG1-CD2 3.49Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.31Å; V229-H231 WeakPolarHBondContact CG1-ND1 3.47Å; V229-H231 VanDerWaalsContact CG1-NE2 3.28Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.47Å; V229-H231 PolarHBondContact O-N 3.43Å
232S93.6Very high94.7Very high100 Ų100107.2 Ų107.270%0.69960%0.603SS**PPolyproline II helixtrans-62.5161.9160.857.30000110.5S234S232-S234 PolarHBondContact O-N 3.34Å
233P94.9Very high94.9Very high121 Ų121107.6 Ų107.679%0.78659%0.593SS**SBendtrans-50.3138.5170.5-27.235.7000110.9R235P233-R235 PolarHBondContact O-N 3.12Å
234S94.2Very high95Very high113 Ų113108.1 Ų108.179%0.7959%0.586SS**PPolyproline II helixtrans-57.5128.1-177.253.60000110.6S232 K236S232-S234 PolarHBondContact O-N 3.34Å; S234-K236 PolarHBondContact O-N 3.3Å
235R93.8Very high95.2Very high213 Ų213113.5 Ų113.580%0.80460%0.595SS**PPolyproline II helixtrans-63.3130.4172.6-172.7-179.7179.7-179.7-0.3108.1P233 M237P233-R235 PolarHBondContact O-N 3.12Å; R235-M237 PolarHBondContact O-N 3.3Å
236K94.6Very high95.4Very high193 Ų193119 Ų11984%0.83961%0.613SS**  trans-64.7109.2174.1-68.3-174.5179-179.60108.9S234S234-K236 PolarHBondContact O-N 3.3Å
237M94.4Very high95.5Very high104 Ų104120.7 Ų120.751%0.51261%0.614SS.*  trans-70.4127.2175-177.158.364.800109.1R235 E241 Q242R235-M237 PolarHBondContact O-N 3.3Å; M237-E241 HydrophobicContact CE-CG 4.32Å; M237-E241 HydrophobicContact SD-CB 3.65Å; M237-E241 HydrophobicContact SD-CG 3.39Å; M237-E241 WeakPolarHBondContact SD-CG 3.36Å; M237-E241 VanDerWaalsContact SD-OE2 3.34Å; M237-Q242 HydrophobicContact CG-CB 4.16Å
238T96.9Very high95.6Very high78 Ų78122 Ų12248%0.47962%0.617SS.*  trans-81.6149173.767.80000110K240 E241 Q242T238-K240 PolarHBondContact O-N 3.31Å; T238-E241 PolarHBondContact O-N 3.46Å; T238-E241 VanDerWaalsContact OG1-CB 3.25Å; T238-E241 WeakPolarHBondContact OG1-CB 3.35Å; T238-E241 PolarHBondContact OG1-N 3.42Å; T238-E241 VanDerWaalsContact OG1-N 3.13Å; T238-Q242 PolarHBondContact O-N 3.06Å
239V97.3Very high95.5Very high110 Ų110125.1 Ų125.167%0.66764%0.637SS**Hα-helixtrans-59.2-35.7176.3178.20000110.8Q242 Q243V239-Q242 PolarHBondContact O-N 2.79Å; V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 VanDerWaalsContact O-CG 3.32Å; V239-Q243 WeakPolarHBondContact O-CG 3.46Å; V239-Q243 PolarHBondContact O-N 3.38Å
240K96.8Very high95.4Very high142 Ų142126 Ų12662%0.61765%0.646SS**Hα-helixtrans-60.2-52.3175.4-179.6177.7171.1-1800111.6T238 Q242 Q243 E244T238-K240 PolarHBondContact O-N 3.31Å; K240-Q242 VanDerWaalsContact C-N 3.32Å; K240-Q242 PolarHBondContact O-N 3.45Å; K240-Q243 PolarHBondContact O-N 3.46Å; K240-Q243 VanDerWaalsContact O-N 3.11Å; K240-E244 WeakPolarHBondContact CE-OE1 3.23Å; K240-E244 IonicContact NZ-OE1 3.91Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 2.94Å
241E96.9Very high95.4Very high44 Ų44125 Ų12521%0.20664%0.642CS.*Hα-helixtrans-58.7-45.3177.5-175.1179.3-177.800110.7M237 T238 Q243 E244 W245M237-E241 HydrophobicContact CE-CG 4.32Å; M237-E241 HydrophobicContact SD-CB 3.65Å; M237-E241 HydrophobicContact SD-CG 3.39Å; M237-E241 WeakPolarHBondContact SD-CG 3.36Å; M237-E241 VanDerWaalsContact SD-OE2 3.34Å; T238-E241 PolarHBondContact O-N 3.46Å; T238-E241 VanDerWaalsContact OG1-CB 3.25Å; T238-E241 WeakPolarHBondContact OG1-CB 3.35Å; T238-E241 PolarHBondContact OG1-N 3.42Å; T238-E241 VanDerWaalsContact OG1-N 3.13Å; E241-Q243 VanDerWaalsContact C-N 3.26Å; E241-Q243 PolarHBondContact O-N 3.07Å; E241-E244 PolarHBondContact O-N 3.21Å; E241-W245 PolarHBondContact O-N 3.07Å
242Q97.1Very high95.3Very high115 Ų115120 Ų12054%0.53762%0.624SS.*Hα-helixtrans-59.9-34.7176.9-173.261.75700113.4M237 T238 V239 K240 K246M237-Q242 HydrophobicContact CG-CB 4.16Å; T238-Q242 PolarHBondContact O-N 3.06Å; V239-Q242 PolarHBondContact O-N 2.79Å; K240-Q242 VanDerWaalsContact C-N 3.32Å; K240-Q242 PolarHBondContact O-N 3.45Å; Q242-K246 PolarHBondContact O-N 3.08Å
243Q97.1Very high95.2Very high135 Ų135119 Ų11963%0.63161%0.61SS**Hα-helixtrans-74.7-40.7176.7-74.6177.10.600112.2V239 K240 E241 W245 K246V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 VanDerWaalsContact O-CG 3.32Å; V239-Q243 WeakPolarHBondContact O-CG 3.46Å; V239-Q243 PolarHBondContact O-N 3.38Å; K240-Q243 PolarHBondContact O-N 3.46Å; K240-Q243 VanDerWaalsContact O-N 3.11Å; E241-Q243 VanDerWaalsContact C-N 3.26Å; E241-Q243 PolarHBondContact O-N 3.07Å; Q243-W245 VanDerWaalsContact C-N 3.26Å; Q243-W245 PolarHBondContact O-N 3.38Å; Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.29Å; Q243-K246 PolarHBondContact O-N 2.67Å; Q243-K246 VanDerWaalsContact O-N 3.09Å
244E97.1Very high95.1Very high127 Ų127123.9 Ų123.959%0.59361%0.613SS**Hα-helixtrans-61.2-36.8176.1-73.7172.7179.600111.7K240 E241 K246K240-E244 WeakPolarHBondContact CE-OE1 3.23Å; K240-E244 IonicContact NZ-OE1 3.91Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 2.94Å; E241-E244 PolarHBondContact O-N 3.21Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 2.94Å
245W96.5Very high95.1Very high189 Ų189126.6 Ų126.672%0.71661%0.611SS**THydrogen-bonded Turntrans-85.57176.8-69.9103000114.2E241 Q243 I247E241-W245 PolarHBondContact O-N 3.07Å; Q243-W245 VanDerWaalsContact C-N 3.26Å; Q243-W245 PolarHBondContact O-N 3.38Å; W245-I247 PolarHBondContact O-N 2.86Å; W245-I247 VanDerWaalsContact O-N 3.09Å
246K97.4Very high95.1Very high167 Ų167119.5 Ų119.573%0.72659%0.589SS**  trans-75.5101175.2-171.1175.4179.81780109.9Q242 Q243 E244 P248Q242-K246 PolarHBondContact O-N 3.08Å; Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.29Å; Q243-K246 PolarHBondContact O-N 2.67Å; Q243-K246 VanDerWaalsContact O-N 3.09Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 2.94Å; K246-P248 VanDerWaalsContact O-CD 3.31Å; K246-P248 WeakPolarHBondContact O-CD 3.45Å
247I95.4Very high95.2Very high152 Ų152115.6 Ų115.678%0.77959%0.592SS**PPolyproline II helixtrans-68.7121.5178.7-55.7178.1000109.7W245W245-I247 PolarHBondContact O-N 2.86Å; W245-I247 VanDerWaalsContact O-N 3.09Å
248P94.4Very high95.3Very high103 Ų103118.1 Ų118.167%0.66960%0.6SS**PPolyproline II helixtrans-61.6150174.1-23.435.1000112.1K246 C250K246-P248 VanDerWaalsContact O-CD 3.31Å; K246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-C250 PolarHBondContact O-N 3.29Å
249P94.4Very high95.2Very high110 Ų110117 Ų11771%0.71460%0.604SS**PPolyproline II helixtrans-62.7136.8177.427.5-34.4000110.9I251P249-I251 PolarHBondContact O-N 3.49Å; P249-I251 VanDerWaalsContact O-N 3.12Å
250C93.4Very high95.1Very high125 Ų125118.3 Ų118.385%0.84560%0.598SS**  trans-75.6103.1175.9-176.20000110.1P248P248-C250 PolarHBondContact O-N 3.29Å
251I93.8Very high95.1Very high40 Ų40118.6 Ų118.621%0.20561%0.612CS.*  trans-94.2101.5172.5-62.3174.4000107.4P249 I262 K266P249-I251 PolarHBondContact O-N 3.49Å; P249-I251 VanDerWaalsContact O-N 3.12Å; I251-I262 HydrophobicContact CD1-CG2 4.12Å; I251-I262 HydrophobicContact CG1-CD1 4.38Å; I251-I262 HydrophobicContact CG2-CD1 3.78Å; I251-I262 HydrophobicContact CG2-CG2 4.03Å; I251-K266 HydrophobicContact CD1-CB 3.73Å; I251-K266 WeakPolarHBondContact CD1-O 3.4Å
252S92.4Very high94.9Very high40 Ų40118.3 Ų118.328%0.2861%0.612SS.*  trans-84.4137.1-179-178.80000111.4W254 K255S252-W254 PolarHBondContact O-N 2.95Å; S252-W254 PolarHBondContact OG-N 3.28Å; S252-W254 VanDerWaalsContact OG-N 3.11Å; S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 3.25Å; S252-K255 VanDerWaalsContact OG-N 3.11Å
253N90.8Very high94.8Very high77 Ų77116.5 Ų116.541%0.41261%0.609SS.*SBendtrans-73.8-12.5169.3-72.8-28.8000113.3R267N253-R267 WeakPolarHBondContact OD1-CG 3.43Å; N253-R267 PolarHBondContact OD1-O 3.21Å
254W91.6Very high94.5Very high225 Ų225116.4 Ų116.485%0.85261%0.613SS**SBendtrans-108.3-43.4-178.4-63.9-82000114S252S252-W254 PolarHBondContact O-N 2.95Å; S252-W254 PolarHBondContact OG-N 3.28Å; S252-W254 VanDerWaalsContact OG-N 3.11Å
255K94.7Very high94.2Very high170 Ų170114.6 Ų114.674%0.73961%0.607SS**  trans-118.7123.5-169.9-65.5-60.8-174.4-175.60111.7S252S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 3.25Å; S252-K255 VanDerWaalsContact OG-N 3.11Å
256N94.7Very high94.1Very high64 Ų64110.8 Ų110.834%0.34260%0.596SS.*  trans-128.577.9170.1-175.45.1000109.1K258 G259 Y260N256-K258 PolarHBondContact O-N 2.72Å; N256-G259 VanDerWaalsContact ND2-C 3.34Å; N256-G259 PolarHBondContact O-N 3.14Å; N256-G259 VanDerWaalsContact O-N 3.1Å; N256-G259 PolarHBondContact OD1-N 3.12Å; N256-G259 VanDerWaalsContact OD1-N 3.09Å; N256-Y260 PolarHBondContact ND2-N 3.19Å; N256-Y260 PolarHBondContact ND2-O 3.33Å; N256-Y260 PolarHBondContact OD1-N 3.2Å
257A96.2Very high93.6Very high110 Ų110107.4 Ų107.491%0.90958%0.578SS**THydrogen-bonded Turntrans-61.1-30.4-171.400000113.4
258K96.3Very high93.3Very high157 Ų157104.7 Ų104.768%0.68357%0.565SS**THydrogen-bonded Turntrans-99.23.5179.9-63.7-173.6179.7179.80113.4N256 Y260N256-K258 PolarHBondContact O-N 2.72Å; K258-Y260 VanDerWaalsContact C-N 3.31Å; K258-Y260 HydrophobicContact CB-CD1 4.37Å; K258-Y260 HydrophobicContact CB-CD2 4.1Å; K258-Y260 HydrophobicContact CB-CE1 4.02Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.42Å; K258-Y260 HydrophobicContact CD-CE2 3.77Å; K258-Y260 WeakPolarHBondContact CD-OH 3.38Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.45Å
259G94.9Very high92.8Very high55 Ų55103.3 Ų103.357%0.56756%0.562SS**  trans63.928.1176.800000115N256N256-G259 VanDerWaalsContact ND2-C 3.34Å; N256-G259 PolarHBondContact O-N 3.14Å; N256-G259 VanDerWaalsContact O-N 3.1Å; N256-G259 PolarHBondContact OD1-N 3.12Å; N256-G259 VanDerWaalsContact OD1-N 3.09Å
260Y96.3Very high92.3Very high138 Ų138102 Ų10254%0.54156%0.561SS.*  trans-64.5137.3-179.4-64.4-43.5000112.8N256 K258 I262N256-Y260 PolarHBondContact ND2-N 3.19Å; N256-Y260 PolarHBondContact ND2-O 3.33Å; N256-Y260 PolarHBondContact OD1-N 3.2Å; K258-Y260 VanDerWaalsContact C-N 3.31Å; K258-Y260 HydrophobicContact CB-CD1 4.37Å; K258-Y260 HydrophobicContact CB-CD2 4.1Å; K258-Y260 HydrophobicContact CB-CE1 4.02Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.42Å; K258-Y260 HydrophobicContact CD-CE2 3.77Å; K258-Y260 WeakPolarHBondContact CD-OH 3.38Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.45Å; Y260-I262 PolarHBondContact O-N 3.05Å
261T95.1Very high91.6Very high147 Ų14798 Ų9890%0.90253%0.531SS*.  trans-79.9101.3170.6-53.50000108.9
262I93.8Very high91Very high39 Ų3998.5 Ų98.520%0.255%0.546CS..  trans-99.7127.3-178.3-56177.9000108.8I251 Y260 K266 R267I251-I262 HydrophobicContact CD1-CG2 4.12Å; I251-I262 HydrophobicContact CG1-CD1 4.38Å; I251-I262 HydrophobicContact CG2-CD1 3.78Å; I251-I262 HydrophobicContact CG2-CG2 4.03Å; Y260-I262 PolarHBondContact O-N 3.05Å; I262-K266 HydrophobicContact CG2-CB 3.9Å; I262-R267 HydrophobicContact CG2-CB 4.43Å
263P94.9Very high90.5Very high76 Ų76104.5 Ų104.549%0.49456%0.563SS.*  trans-62.4153.2177.730.3-37.5000111.1D265 K266 R267P263-D265 VanDerWaalsContact C-N 3.31Å; P263-D265 VanDerWaalsContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CG-OD1 3.13Å; P263-D265 PolarHBondContact O-N 2.89Å; P263-K266 HydrophobicContact CG-CB 4.14Å; P263-K266 HydrophobicContact CG-CG 3.83Å; P263-K266 PolarHBondContact O-N 3.49Å; P263-R267 PolarHBondContact O-N 3.23Å
264L90.8Very high90Very high134 Ų134104.7 Ų104.770%0.70258%0.583SS**Hα-helixtrans-62.3-37.2-170.1-65.6175.5000112.7K266 R267 L268L264-K266 PolarHBondContact O-N 2.99Å; L264-R267 PolarHBondContact O-N 3.25Å; L264-L268 WeakPolarHBondContact O-CG 3.08Å; L264-L268 PolarHBondContact O-N 2.6Å
265D90.8Very high89.8Confident89 Ų89101.5 Ų101.548%0.47658%0.581SS.*Hα-helixtrans-58.9-45.317770.1-43.8000111.3P263 L268 A269P263-D265 VanDerWaalsContact C-N 3.31Å; P263-D265 VanDerWaalsContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CG-OD1 3.13Å; P263-D265 PolarHBondContact O-N 2.89Å; D265-L268 PolarHBondContact O-N 2.83Å; D265-A269 WeakPolarHBondContact O-CA 3.42Å; D265-A269 VanDerWaalsContact O-CB 3.23Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 2.99Å
266K93.4Very high89.2Confident108 Ų108100.3 Ų100.347%0.4758%0.579SS.*Hα-helixtrans-74.9-27.8178.6-57.8-54.2179.8-121.40113I251 I262 P263 L264I251-K266 HydrophobicContact CD1-CB 3.73Å; I251-K266 WeakPolarHBondContact CD1-O 3.4Å; I262-K266 HydrophobicContact CG2-CB 3.9Å; P263-K266 HydrophobicContact CG-CB 4.14Å; P263-K266 HydrophobicContact CG-CG 3.83Å; P263-K266 PolarHBondContact O-N 3.49Å; L264-K266 PolarHBondContact O-N 2.99Å
267R88.4Confident88.8Confident96 Ų96101.5 Ų101.536%0.36259%0.588SS.*Hα-helixtrans-68.1-39.1173.8-169.7175.4-67.2-135.22.2111.8N253 I262 P263 L264N253-R267 WeakPolarHBondContact OD1-CG 3.43Å; N253-R267 PolarHBondContact OD1-O 3.21Å; I262-R267 HydrophobicContact CG2-CB 4.43Å; P263-R267 PolarHBondContact O-N 3.23Å; L264-R267 PolarHBondContact O-N 3.25Å
268L88Confident88.3Confident95 Ų95102.4 Ų102.450%0.49758%0.582SS.*Hα-helixtrans-89.7-10.4178.6-61173000113.1L264 D265 A270 D271L264-L268 WeakPolarHBondContact O-CG 3.08Å; L264-L268 PolarHBondContact O-N 2.6Å; D265-L268 PolarHBondContact O-N 2.83Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.44Å; L268-D271 WeakPolarHBondContact O-CB 3.48Å; L268-D271 PolarHBondContact O-N 2.93Å
269A84.8Confident87.8Confident75 Ų75102.7 Ų102.762%0.6259%0.586SS**THydrogen-bonded Turntrans-61.8-34.6-174.700000114.5D265 D271D265-A269 WeakPolarHBondContact O-CA 3.42Å; D265-A269 VanDerWaalsContact O-CB 3.23Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 2.99Å; A269-D271 PolarHBondContact O-N 3.17Å
270A82.5Confident87.7Confident82 Ų82106.5 Ų106.568%0.67859%0.592SS**THydrogen-bonded Turntrans-82.4-1.9177.700000112.7L268 G272L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.44Å; A270-G272 PolarHBondContact O-N 3.11Å
271D79.9Confident87.6Confident40 Ų40104.1 Ų104.121%0.21459%0.588CS.*  trans-86.899.1-175.6-157.1-25000110.3L268 A269 R273L268-D271 WeakPolarHBondContact O-CB 3.48Å; L268-D271 PolarHBondContact O-N 2.93Å; A269-D271 PolarHBondContact O-N 3.17Å; D271-R273 PolarHBondContact O-N 3.11Å; D271-R273 WeakPolarHBondContact OD1-CB 3.49Å; D271-R273 WeakPolarHBondContact OD1-CG 3.26Å; D271-R273 IonicContact OD1-CZ 3.04Å; D271-R273 PolarHBondContact OD1-N 3.4Å; D271-R273 IonicContact OD1-NE 3.46Å; D271-R273 PolarHBondContact OD1-NE 3.46Å; D271-R273 IonicContact OD2-CZ 3.09Å; D271-R273 IonicContact OD2-NE 2.84Å; D271-R273 PolarHBondContact OD2-NE 2.95Å; D271-R273 IonicContact OD2-NH2 3.23Å; D271-R273 PolarHBondContact OD2-NH2 3.27Å
272G81.5Confident87.6Confident52 Ų52104.2 Ų104.254%0.53658%0.579SS.*G310 helixtrans-62.7-0.5-179.500000115A270 G274 L275 Q276A270-G272 PolarHBondContact O-N 3.11Å; G272-G274 PolarHBondContact O-N 3.4Å; G272-L275 WeakPolarHBondContact O-CB 3.49Å; G272-L275 PolarHBondContact O-N 3.14Å; G272-Q276 PolarHBondContact O-N 3.49Å
273R81.3Confident87.7Confident166 Ų166106.8 Ų106.863%0.62659%0.593SS**G310 helixtrans-54.2-33174.1-76-174.9-69.61691.8113D271 L275 Q276D271-R273 PolarHBondContact O-N 3.11Å; D271-R273 WeakPolarHBondContact OD1-CB 3.49Å; D271-R273 WeakPolarHBondContact OD1-CG 3.26Å; D271-R273 IonicContact OD1-CZ 3.04Å; D271-R273 PolarHBondContact OD1-N 3.4Å; D271-R273 IonicContact OD1-NE 3.46Å; D271-R273 PolarHBondContact OD1-NE 3.46Å; D271-R273 IonicContact OD2-CZ 3.09Å; D271-R273 IonicContact OD2-NE 2.84Å; D271-R273 PolarHBondContact OD2-NE 2.95Å; D271-R273 IonicContact OD2-NH2 3.23Å; D271-R273 PolarHBondContact OD2-NH2 3.27Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.98Å; R273-Q276 PolarHBondContact O-N 2.84Å
274G80.9Confident87.7Confident80 Ų80109.6 Ų109.683%0.82560%0.597SS**G310 helixtrans-72.3-18.7175.800000114.7G272G272-G274 PolarHBondContact O-N 3.4Å
275L85.9Confident87.9Confident158 Ų158105.8 Ų105.883%0.82759%0.585SS**THydrogen-bonded Turntrans-90.6-16.4176-17061.6000111.9G272 R273 T277G272-L275 WeakPolarHBondContact O-CB 3.49Å; G272-L275 PolarHBondContact O-N 3.14Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.98Å; L275-T277 PolarHBondContact O-N 3.3Å
276Q83.6Confident88.2Confident146 Ų146107.5 Ų107.568%0.68259%0.588SS**  trans-84.4107.2177.2-172.5176.812.200110.3G272 R273G272-Q276 PolarHBondContact O-N 3.49Å; R273-Q276 PolarHBondContact O-N 2.84Å
277T84.6Confident88.3Confident89 Ų89107 Ų10755%0.54659%0.59SS.*  trans-80.6130.1167.949.70000109.7L275 H279L275-T277 PolarHBondContact O-N 3.3Å; T277-H279 PolarHBondContact O-CE1 2.96Å; T277-H279 PolarHBondContact O-N 3.34Å; T277-H279 PolarHBondContact O-ND1 2.76Å; T277-H279 VanDerWaalsContact O-ND1 3.08Å; T277-H279 PolarHBondContact OG1-CE1 3.08Å; T277-H279 PolarHBondContact OG1-NE2 3.33Å
278V86Confident88.7Confident129 Ų129105.2 Ų105.278%0.78260%0.596SS**  trans-78.7106.9175-178.70000108I280V278-I280 HydrophobicContact CG1-CG1 4.46Å
279H87.1Confident89.1Confident162 Ų162106.7 Ų106.775%0.7560%0.6SS**  trans-94.1128.1174.9-53.194000109.4T277T277-H279 PolarHBondContact O-CE1 2.96Å; T277-H279 PolarHBondContact O-N 3.34Å; T277-H279 PolarHBondContact O-ND1 2.76Å; T277-H279 VanDerWaalsContact O-ND1 3.08Å; T277-H279 PolarHBondContact OG1-CE1 3.08Å; T277-H279 PolarHBondContact OG1-NE2 3.33Å
280I92Very high89.6Confident135 Ų135105.7 Ų105.769%0.69259%0.592SS**  trans-106.9133.9176-60.6172.1000108.4V278 F284V278-I280 HydrophobicContact CG1-CG1 4.46Å; I280-F284 HydrophobicContact CG2-CD2 3.93Å
281N94.6Very high90.3Very high89 Ų89107 Ų10748%0.47659%0.587SS.*  trans-77.1134.7-179.4-171.5-22000111.3N283 F284N281-N283 PolarHBondContact ND2-ND2 3.06Å; N281-N283 PolarHBondContact O-N 3.1Å; N281-N283 VanDerWaalsContact O-N 3.13Å; N281-N283 WeakPolarHBondContact OD1-CB 3.45Å; N281-N283 PolarHBondContact OD1-N 3.13Å; N281-F284 HydrophobicContact CB-CD2 4.02Å; N281-F284 HydrophobicContact CB-CE2 4.16Å; N281-F284 WeakPolarHBondContact O-CB 3.24Å; N281-F284 VanDerWaalsContact O-CD2 3.31Å; N281-F284 WeakPolarHBondContact O-CD2 3.4Å; N281-F284 PolarHBondContact O-N 3.09Å
282E94.2Very high91.1Very high149 Ų149113.3 Ų113.370%0.69661%0.609SS**THydrogen-bonded Turntrans-60-21.2175.8-62.2-177.6176.400113.7F284 A285 K286E282-F284 PolarHBondContact O-N 3.33Å; E282-A285 WeakPolarHBondContact O-CB 3.4Å; E282-A285 PolarHBondContact O-N 2.87Å; E282-K286 PolarHBondContact O-N 3.18Å
283N95.5Very high91.8Very high92 Ų92115 Ų11549%0.49261%0.605SS.*Hα-helixtrans-60.3-26.2174.1-68.8-18.1000112.6N281 A285 K286 L287N281-N283 PolarHBondContact ND2-ND2 3.06Å; N281-N283 PolarHBondContact O-N 3.1Å; N281-N283 VanDerWaalsContact O-N 3.13Å; N281-N283 WeakPolarHBondContact OD1-CB 3.45Å; N281-N283 PolarHBondContact OD1-N 3.13Å; N283-A285 VanDerWaalsContact C-N 3.32Å; N283-K286 PolarHBondContact O-N 2.88Å; N283-L287 VanDerWaalsContact O-CB 3.27Å; N283-L287 WeakPolarHBondContact O-CB 3.31Å; N283-L287 PolarHBondContact O-N 3Å
284F95.8Very high92.5Very high136 Ų136109.6 Ų109.660%0.59660%0.596SS**Hα-helixtrans-64.5-37.4172.8-73.3-69.2000111.9I280 N281 E282 A288I280-F284 HydrophobicContact CG2-CD2 3.93Å; N281-F284 HydrophobicContact CB-CD2 4.02Å; N281-F284 HydrophobicContact CB-CE2 4.16Å; N281-F284 WeakPolarHBondContact O-CB 3.24Å; N281-F284 VanDerWaalsContact O-CD2 3.31Å; N281-F284 WeakPolarHBondContact O-CD2 3.4Å; N281-F284 PolarHBondContact O-N 3.09Å; E282-F284 PolarHBondContact O-N 3.33Å; F284-A288 VanDerWaalsContact O-CB 3.3Å; F284-A288 WeakPolarHBondContact O-CB 3.38Å; F284-A288 PolarHBondContact O-N 3.23Å
285A95.7Very high93.3Very high54 Ų54109.5 Ų109.545%0.44658%0.577SS.*Hα-helixtrans-67.7-47.3174.600000110.9E282 N283 L287 A288 E289E282-A285 WeakPolarHBondContact O-CB 3.4Å; E282-A285 PolarHBondContact O-N 2.87Å; N283-A285 VanDerWaalsContact C-N 3.32Å; A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 PolarHBondContact O-N 3.21Å; A285-A288 PolarHBondContact O-N 2.93Å; A285-E289 WeakPolarHBondContact O-CB 3.48Å; A285-E289 WeakPolarHBondContact O-CG 3.27Å; A285-E289 PolarHBondContact O-N 3.42Å
286K95.9Very high93.8Very high124 Ų124108.1 Ų108.154%0.53956%0.561SS.*Hα-helixtrans-58.4-41.4176.7-64.6176.9-175.2167.20112.2E282 N283 A290E282-K286 PolarHBondContact O-N 3.18Å; N283-K286 PolarHBondContact O-N 2.88Å; K286-A290 VanDerWaalsContact O-CB 3.24Å; K286-A290 WeakPolarHBondContact O-CB 3.44Å; K286-A290 PolarHBondContact O-N 3.19Å
287L96.1Very high94.4Very high98 Ų98106.4 Ų106.451%0.51355%0.551SS.*Hα-helixtrans-66.9-45.6176.8178.963.6000111.5N283 A285 E289 A290 L291N283-L287 VanDerWaalsContact O-CB 3.27Å; N283-L287 WeakPolarHBondContact O-CB 3.31Å; N283-L287 PolarHBondContact O-N 3Å; A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 PolarHBondContact O-N 3.21Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.48Å; L287-A290 PolarHBondContact O-N 2.92Å; L287-L291 HydrophobicContact CD1-CD1 4.21Å; L287-L291 HydrophobicContact CD1-CG 4.25Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 WeakPolarHBondContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 2.87Å
288A97Very high95Very high58 Ų58104.7 Ų104.748%0.47955%0.545SS..Hα-helixtrans-61.1-43.917800000111.5F284 A285 L291 Y292F284-A288 VanDerWaalsContact O-CB 3.3Å; F284-A288 WeakPolarHBondContact O-CB 3.38Å; F284-A288 PolarHBondContact O-N 3.23Å; A285-A288 PolarHBondContact O-N 2.93Å; A288-L291 PolarHBondContact O-N 3.43Å; A288-Y292 WeakPolarHBondContact O-CB 3.3Å; A288-Y292 PolarHBondContact O-N 3.34Å
289E95.7Very high95.4Very high127 Ų127106.4 Ų106.459%0.59354%0.538SS*.Hα-helixtrans-64.4-44.9175.7-73179.4178.200112A285 L287 L291 Y292 I293A285-E289 WeakPolarHBondContact O-CB 3.48Å; A285-E289 WeakPolarHBondContact O-CG 3.27Å; A285-E289 PolarHBondContact O-N 3.42Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.48Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.93Å; E289-Y292 PolarHBondContact O-N 3.45Å; E289-I293 WeakPolarHBondContact O-CB 3.45Å; E289-I293 VanDerWaalsContact O-CG1 3.27Å; E289-I293 WeakPolarHBondContact O-CG1 3.31Å; E289-I293 PolarHBondContact O-N 2.95Å
290A96.5Very high95.8Very high54 Ų54102 Ų10245%0.44652%0.518SS..Hα-helixtrans-60.1-43.5177.300000111.8K286 L287 I293 A294K286-A290 VanDerWaalsContact O-CB 3.24Å; K286-A290 WeakPolarHBondContact O-CB 3.44Å; K286-A290 PolarHBondContact O-N 3.19Å; L287-A290 PolarHBondContact O-N 2.92Å; A290-I293 PolarHBondContact O-N 3.49Å; A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.33Å; A290-A294 PolarHBondContact O-N 2.88Å
291L96.6Very high95.9Very high110 Ų11097.3 Ų97.358%0.57650%0.499SS*.Hα-helixtrans-65.9-39.7176-72.1175.2000112L287 A288 E289 A294 D295L287-L291 HydrophobicContact CD1-CD1 4.21Å; L287-L291 HydrophobicContact CD1-CG 4.25Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 WeakPolarHBondContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 2.87Å; A288-L291 PolarHBondContact O-N 3.43Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.93Å; L291-A294 PolarHBondContact O-N 3.3Å; L291-D295 PolarHBondContact O-N 3Å
292Y96.6Very high96Very high172 Ų17297 Ų9768%0.67550%0.5SS*.Hα-helixtrans-65.1-41.3176.5-168.4-99.8000112A288 E289 D295 R296A288-Y292 WeakPolarHBondContact O-CB 3.3Å; A288-Y292 PolarHBondContact O-N 3.34Å; E289-Y292 PolarHBondContact O-N 3.45Å; Y292-D295 PolarHBondContact O-N 3.44Å; Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å
293I96.4Very high96.1Very high86 Ų8695.6 Ų95.644%0.44149%0.493SS..Hα-helixtrans-64.1-43.1173.9-68166.4000110.5E289 A290 R296 K297E289-I293 WeakPolarHBondContact O-CB 3.45Å; E289-I293 VanDerWaalsContact O-CG1 3.27Å; E289-I293 WeakPolarHBondContact O-CG1 3.31Å; E289-I293 PolarHBondContact O-N 2.95Å; A290-I293 PolarHBondContact O-N 3.49Å; I293-R296 PolarHBondContact O-N 2.73Å; I293-K297 WeakPolarHBondContact O-CG 3.43Å; I293-K297 PolarHBondContact O-N 2.89Å
294A96.7Very high96Very high54 Ų5496.7 Ų96.745%0.44650%0.497SS..Hα-helixtrans-62.5-43.9178.100000112.1A290 L291 R296 K297 A298A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.33Å; A290-A294 PolarHBondContact O-N 2.88Å; L291-A294 PolarHBondContact O-N 3.3Å; A294-R296 PolarHBondContact O-N 2.86Å; A294-K297 PolarHBondContact O-N 3.35Å; A294-A298 WeakPolarHBondContact O-CB 3.27Å; A294-A298 PolarHBondContact O-N 2.84Å
295D96.2Very high96Very high78 Ų7897.4 Ų97.442%0.41750%0.496SS..Hα-helixtrans-60.6-45.9176.1-174.961.2000111.4L291 Y292 K297 A298 R299L291-D295 PolarHBondContact O-N 3Å; Y292-D295 PolarHBondContact O-N 3.44Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 2.94Å; D295-A298 PolarHBondContact O-N 3.4Å; D295-R299 WeakPolarHBondContact O-CG 3.43Å; D295-R299 PolarHBondContact O-N 3.29Å; D295-R299 IonicContact OD1-NE 3.56Å; D295-R299 IonicContact OD2-CZ 2.71Å; D295-R299 IonicContact OD2-NE 3.73Å; D295-R299 PolarHBondContact OD2-NE 3.39Å; D295-R299 IonicContact OD2-NH2 2.66Å
296R96.4Very high96Very high129 Ų12997.3 Ų97.349%0.48750%0.495SS..Hα-helixtrans-58.5-45.9176.5-174.3175.664-177-0.7111.7Y292 I293 A294 R299 E300Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å; I293-R296 PolarHBondContact O-N 2.73Å; A294-R296 PolarHBondContact O-N 2.86Å; R296-R299 PolarHBondContact O-N 3.02Å; R296-E300 WeakPolarHBondContact O-CG 3.37Å; R296-E300 PolarHBondContact O-N 3.48Å
297K96.8Very high95.9Very high110 Ų11096.1 Ų96.148%0.47849%0.491SS..Hα-helixtrans-67.6-35.8178.2-70.2-56.6-178.4-169.40113.1I293 A294 D295 E300 A301I293-K297 WeakPolarHBondContact O-CG 3.43Å; I293-K297 PolarHBondContact O-N 2.89Å; A294-K297 PolarHBondContact O-N 3.35Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 2.94Å; K297-E300 VanDerWaalsContact CD-OE2 3.27Å; K297-E300 WeakPolarHBondContact CD-OE2 3.39Å; K297-E300 IonicContact NZ-OE1 3.53Å; K297-E300 IonicContact NZ-OE2 3.5Å; K297-E300 PolarHBondContact NZ-OE2 3.24Å; K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.07Å
298A96.5Very high95.8Very high52 Ų5295.8 Ų95.843%0.4349%0.493SS..Hα-helixtrans-63.3-43.7173.900000111.3A294 D295 A301 V302A294-A298 WeakPolarHBondContact O-CB 3.27Å; A294-A298 PolarHBondContact O-N 2.84Å; D295-A298 PolarHBondContact O-N 3.4Å; A298-A301 PolarHBondContact O-N 3.37Å; A298-V302 VanDerWaalsContact O-CG2 3.28Å; A298-V302 WeakPolarHBondContact O-CG2 3.49Å; A298-V302 PolarHBondContact O-N 3.26Å
299R95.8Very high95.6Very high165 Ų16599.5 Ų99.562%0.62350%0.501SS*.Hα-helixtrans-62.2-48.3175.8-70.6174.3-175.4-97.2-2.4112.4D295 R296 A301 V302 E303D295-R299 WeakPolarHBondContact O-CG 3.43Å; D295-R299 PolarHBondContact O-N 3.29Å; D295-R299 IonicContact OD1-NE 3.56Å; D295-R299 IonicContact OD2-CZ 2.71Å; D295-R299 IonicContact OD2-NE 3.73Å; D295-R299 PolarHBondContact OD2-NE 3.39Å; D295-R299 IonicContact OD2-NH2 2.66Å; R296-R299 PolarHBondContact O-N 3.02Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.5Å; R299-V302 PolarHBondContact O-N 3Å; R299-E303 WeakPolarHBondContact O-CB 3.45Å; R299-E303 PolarHBondContact O-N 3.33Å
300E95.1Very high95.5Very high71 Ų71101 Ų10133%0.33251%0.505SS..Hα-helixtrans-55.5-44.9175-73.6171.9-162.900111.1R296 K297 E303 M304R296-E300 WeakPolarHBondContact O-CG 3.37Å; R296-E300 PolarHBondContact O-N 3.48Å; K297-E300 VanDerWaalsContact CD-OE2 3.27Å; K297-E300 WeakPolarHBondContact CD-OE2 3.39Å; K297-E300 IonicContact NZ-OE1 3.53Å; K297-E300 IonicContact NZ-OE2 3.5Å; K297-E300 PolarHBondContact NZ-OE2 3.24Å; E300-E303 PolarHBondContact O-N 3.43Å; E300-M304 WeakPolarHBondContact O-CB 3.35Å; E300-M304 WeakPolarHBondContact O-CG 3.47Å; E300-M304 PolarHBondContact O-N 3.06Å
301A94.8Very high95.4Very high36 Ų36105.1 Ų105.130%0.29851%0.513SS..Hα-helixtrans-68.1-36179.200000113.4K297 A298 R299 R305K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.07Å; A298-A301 PolarHBondContact O-N 3.37Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.5Å; A301-R305 WeakPolarHBondContact O-CB 3.5Å; A301-R305 WeakPolarHBondContact O-CG 3.47Å; A301-R305 PolarHBondContact O-N 3.44Å; A301-R305 VanDerWaalsContact O-N 3.14Å; A301-R305 PolarHBondContact O-NE 3.11Å
302V96.4Very high95.1Very high81 Ų81105.7 Ų105.749%0.49151%0.514SS..Hα-helixtrans-68.4-44.1174.4170.70000110.5A298 R299 R305 A306A298-V302 VanDerWaalsContact O-CG2 3.28Å; A298-V302 WeakPolarHBondContact O-CG2 3.49Å; A298-V302 PolarHBondContact O-N 3.26Å; R299-V302 PolarHBondContact O-N 3Å; V302-R305 PolarHBondContact O-N 3.14Å; V302-A306 WeakPolarHBondContact O-CB 3.24Å; V302-A306 PolarHBondContact O-N 3.34Å
303E95.2Very high94.9Very high120 Ų12099.8 Ų99.856%0.56150%0.501SS*.Hα-helixtrans-63.3-45.6178.5-173176.4178.600111.7R299 E300 R305 A306 Q307R299-E303 WeakPolarHBondContact O-CB 3.45Å; R299-E303 PolarHBondContact O-N 3.33Å; E300-E303 PolarHBondContact O-N 3.43Å; E303-R305 VanDerWaalsContact C-N 3.34Å; E303-R305 PolarHBondContact O-N 3.45Å; E303-A306 PolarHBondContact O-N 3.34Å; E303-Q307 WeakPolarHBondContact O-CG 3.49Å; E303-Q307 PolarHBondContact O-N 3.2Å; E303-Q307 PolarHBondContact OE1-NE2 2.94Å
304M94.4Very high94.6Very high115 Ų115102 Ų10257%0.56751%0.509SS*.Hα-helixtrans-59.8-43.3175.3-75.2-170.4-68.800112E300 Q307 V308E300-M304 WeakPolarHBondContact O-CB 3.35Å; E300-M304 WeakPolarHBondContact O-CG 3.47Å; E300-M304 PolarHBondContact O-N 3.06Å; M304-Q307 PolarHBondContact O-N 3.36Å; M304-V308 WeakPolarHBondContact O-CG2 3.47Å; M304-V308 PolarHBondContact O-N 3.25Å
305R94.8Very high94.4Very high151 Ų151105.7 Ų105.757%0.5752%0.515SS*.Hα-helixtrans-61.9-46.4175.7-79.8-176-69.7-175.51.1111.7A301 V302 E303 Q307 V308 E309A301-R305 WeakPolarHBondContact O-CB 3.5Å; A301-R305 WeakPolarHBondContact O-CG 3.47Å; A301-R305 PolarHBondContact O-N 3.44Å; A301-R305 VanDerWaalsContact O-N 3.14Å; A301-R305 PolarHBondContact O-NE 3.11Å; V302-R305 PolarHBondContact O-N 3.14Å; E303-R305 VanDerWaalsContact C-N 3.34Å; E303-R305 PolarHBondContact O-N 3.45Å; R305-Q307 VanDerWaalsContact C-N 3.3Å; R305-Q307 PolarHBondContact O-N 3.14Å; R305-V308 PolarHBondContact O-N 3.42Å; R305-V308 VanDerWaalsContact O-N 3.17Å; R305-E309 WeakPolarHBondContact O-CB 3.38Å; R305-E309 WeakPolarHBondContact O-CG 3.28Å; R305-E309 PolarHBondContact O-N 2.91Å
306A95.4Very high94.1Very high52 Ų52107 Ų10743%0.4352%0.519SS..Hα-helixtrans-60.3-39.4177.200000112.2V302 E303 K310V302-A306 WeakPolarHBondContact O-CB 3.24Å; V302-A306 PolarHBondContact O-N 3.34Å; E303-A306 PolarHBondContact O-N 3.34Å; A306-K310 VanDerWaalsContact O-CB 3.25Å; A306-K310 WeakPolarHBondContact O-CB 3.44Å; A306-K310 PolarHBondContact O-N 2.87Å
307Q94.4Very high93.8Very high100 Ų100107.5 Ų107.547%0.46753%0.525SS..Hα-helixtrans-66.7-40.4175.2-71.3-17812.600112.5E303 M304 R305 K310 K311E303-Q307 WeakPolarHBondContact O-CG 3.49Å; E303-Q307 PolarHBondContact O-N 3.2Å; E303-Q307 PolarHBondContact OE1-NE2 2.94Å; M304-Q307 PolarHBondContact O-N 3.36Å; R305-Q307 VanDerWaalsContact C-N 3.3Å; R305-Q307 PolarHBondContact O-N 3.14Å; Q307-K310 PolarHBondContact O-N 3.42Å; Q307-K311 WeakPolarHBondContact O-CG 3.37Å; Q307-K311 PolarHBondContact O-N 3.31Å
308V94.8Very high93.4Very high90 Ų90107.5 Ų107.555%0.54553%0.526SS..Hα-helixtrans-66.1-47.2176.5170.30000110.9M304 R305 K310 K311 M312M304-V308 WeakPolarHBondContact O-CG2 3.47Å; M304-V308 PolarHBondContact O-N 3.25Å; R305-V308 PolarHBondContact O-N 3.42Å; R305-V308 VanDerWaalsContact O-N 3.17Å; V308-K310 VanDerWaalsContact C-N 3.3Å; V308-K310 PolarHBondContact O-N 3.03Å; V308-K311 PolarHBondContact O-N 3.18Å; V308-K311 VanDerWaalsContact O-N 3.15Å; V308-M312 HydrophobicContact CG1-CG 4.44Å; V308-M312 WeakPolarHBondContact O-CG 3.33Å; V308-M312 PolarHBondContact O-N 3.04Å
309E92.5Very high93.1Very high137 Ų137112.1 Ų112.164%0.6454%0.537SS*.Hα-helixtrans-59-42.6175.6-74.6-177.8176.900111.3R305 K311 M312 A313R305-E309 WeakPolarHBondContact O-CB 3.38Å; R305-E309 WeakPolarHBondContact O-CG 3.28Å; R305-E309 PolarHBondContact O-N 2.91Å; E309-K311 PolarHBondContact O-N 2.96Å; E309-M312 PolarHBondContact O-N 2.97Å; E309-A313 WeakPolarHBondContact O-CB 3.44Å; E309-A313 PolarHBondContact O-N 3.29Å
310K93.3Very high92.7Very high158 Ų158109.6 Ų109.669%0.68753%0.53SS*.Hα-helixtrans-61.3-42.3175-170.8176.8-178.6179.90112.2A306 Q307 V308 A313 Q314A306-K310 VanDerWaalsContact O-CB 3.25Å; A306-K310 WeakPolarHBondContact O-CB 3.44Å; A306-K310 PolarHBondContact O-N 2.87Å; Q307-K310 PolarHBondContact O-N 3.42Å; V308-K310 VanDerWaalsContact C-N 3.3Å; V308-K310 PolarHBondContact O-N 3.03Å; K310-A313 PolarHBondContact O-N 3.02Å; K310-Q314 WeakPolarHBondContact O-CB 3.49Å; K310-Q314 PolarHBondContact O-N 3.26Å
311K93.8Very high92.3Very high140 Ų140112.4 Ų112.461%0.60954%0.543SS*.Hα-helixtrans-65-40.9175.2-79.9-178.8177.8175.90112.2Q307 V308 E309 Q314 K315Q307-K311 WeakPolarHBondContact O-CG 3.37Å; Q307-K311 PolarHBondContact O-N 3.31Å; V308-K311 PolarHBondContact O-N 3.18Å; V308-K311 VanDerWaalsContact O-N 3.15Å; E309-K311 PolarHBondContact O-N 2.96Å; K311-Q314 PolarHBondContact O-N 3.49Å; K311-K315 PolarHBondContact O-N 3.2Å
312M90.6Very high91.9Very high123 Ų123116 Ų11661%0.60655%0.554SS**Hα-helixtrans-64.6-44.9176.2-71.5-64.4-73.100111.1V308 E309 Q314 K315 E316V308-M312 HydrophobicContact CG1-CG 4.44Å; V308-M312 WeakPolarHBondContact O-CG 3.33Å; V308-M312 PolarHBondContact O-N 3.04Å; E309-M312 PolarHBondContact O-N 2.97Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.37Å; M312-K315 PolarHBondContact O-N 2.9Å; M312-E316 WeakPolarHBondContact O-CB 3.48Å; M312-E316 PolarHBondContact O-N 3.31Å
313A92.5Very high91.4Very high48 Ų48118.9 Ų118.940%0.39756%0.56SS.*Hα-helixtrans-61.9-37.717500000112.1E309 K310 E316 K317E309-A313 WeakPolarHBondContact O-CB 3.44Å; E309-A313 PolarHBondContact O-N 3.29Å; K310-A313 PolarHBondContact O-N 3.02Å; A313-E316 PolarHBondContact O-N 3.47Å; A313-K317 WeakPolarHBondContact O-CG 3.25Å; A313-K317 PolarHBondContact O-N 3.34Å
314Q90.1Very high90.9Very high132 Ų132118.6 Ų118.662%0.61756%0.562SS**Hα-helixtrans-66.5-45.4175.5-170.6172.92.600111.9K310 K311 M312 E316 K317 E318K310-Q314 WeakPolarHBondContact O-CB 3.49Å; K310-Q314 PolarHBondContact O-N 3.26Å; K311-Q314 PolarHBondContact O-N 3.49Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.37Å; Q314-E316 VanDerWaalsContact C-N 3.3Å; Q314-E316 PolarHBondContact O-N 2.91Å; Q314-K317 WeakPolarHBondContact O-CB 3.4Å; Q314-K317 PolarHBondContact O-N 2.96Å; Q314-E318 WeakPolarHBondContact O-CB 3.34Å; Q314-E318 PolarHBondContact O-N 3.26Å
315K92.3Very high90.5Very high132 Ų132122.1 Ų122.157%0.57457%0.569SS**Hα-helixtrans-62-36.7173.4-77.2-174175.5-1750112.5K311 M312 E318 K319K311-K315 PolarHBondContact O-N 3.2Å; M312-K315 PolarHBondContact O-N 2.9Å; K315-E318 PolarHBondContact O-N 2.85Å; K315-K319 WeakPolarHBondContact O-CG 3.39Å; K315-K319 PolarHBondContact O-N 3.17Å
316E90Very high89.9Confident104 Ų104121.2 Ų121.249%0.48657%0.571SS.*Hα-helixtrans-69-38.3176.2-160.6-166.1145.600111.6M312 A313 Q314 K320M312-E316 WeakPolarHBondContact O-CB 3.48Å; M312-E316 PolarHBondContact O-N 3.31Å; A313-E316 PolarHBondContact O-N 3.47Å; Q314-E316 VanDerWaalsContact C-N 3.3Å; Q314-E316 PolarHBondContact O-N 2.91Å; E316-K320 WeakPolarHBondContact O-CG 3.5Å; E316-K320 PolarHBondContact O-N 2.94Å; E316-K320 WeakPolarHBondContact OE1-CE 3.42Å; E316-K320 IonicContact OE1-NZ 3.18Å; E316-K320 PolarHBondContact OE1-NZ 3.46Å
317K90.8Very high89.2Confident141 Ų141123.6 Ų123.661%0.61358%0.576SS**Hα-helixtrans-62.6-45.7171.2-78-173.6176.5-169.90111.7A313 Q314 K319 K320 E321A313-K317 WeakPolarHBondContact O-CG 3.25Å; A313-K317 PolarHBondContact O-N 3.34Å; Q314-K317 WeakPolarHBondContact O-CB 3.4Å; Q314-K317 PolarHBondContact O-N 2.96Å; K317-K319 PolarHBondContact O-N 2.82Å; K317-K320 CarbonylContact O-C 3.58Å; K317-K320 WeakPolarHBondContact O-CA 3.43Å; K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 2.96Å; K317-K320 VanDerWaalsContact O-N 3.07Å; K317-E321 WeakPolarHBondContact O-CG 3.42Å; K317-E321 PolarHBondContact O-N 2.93Å
318E88.2Confident88.5Confident110 Ų110121 Ų12151%0.51457%0.572SS.*Hα-helixtrans-58.7-46.3176.8-173.6175.7-160.500111.4Q314 K315 K320 E321 E322Q314-E318 WeakPolarHBondContact O-CB 3.34Å; Q314-E318 PolarHBondContact O-N 3.26Å; K315-E318 PolarHBondContact O-N 2.85Å; E318-K320 VanDerWaalsContact C-N 3.31Å; E318-K320 PolarHBondContact O-N 3.35Å; E318-E321 WeakPolarHBondContact O-CB 3.38Å; E318-E321 PolarHBondContact O-N 3.14Å; E318-E321 VanDerWaalsContact O-N 3.14Å; E318-E322 PolarHBondContact O-N 2.81Å
319K89Confident87.7Confident148 Ų148122.1 Ų122.164%0.64357%0.571SS**Hα-helixtrans-60-37.9172.9-75-178.8178.5-173.60113.2K315 K317 K323K315-K319 WeakPolarHBondContact O-CG 3.39Å; K315-K319 PolarHBondContact O-N 3.17Å; K317-K319 PolarHBondContact O-N 2.82Å; K319-K323 WeakPolarHBondContact O-CB 3.39Å; K319-K323 PolarHBondContact O-N 3.25Å
320K88.1Confident86.8Confident112 Ų112121.8 Ų121.849%0.48757%0.571SS.*Hα-helixtrans-67.5-39.7175.6-75.2171.7-174.6167.70110.9E316 K317 E318 K323 L324E316-K320 WeakPolarHBondContact O-CG 3.5Å; E316-K320 PolarHBondContact O-N 2.94Å; E316-K320 WeakPolarHBondContact OE1-CE 3.42Å; E316-K320 IonicContact OE1-NZ 3.18Å; E316-K320 PolarHBondContact OE1-NZ 3.46Å; K317-K320 CarbonylContact O-C 3.58Å; K317-K320 WeakPolarHBondContact O-CA 3.43Å; K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 2.96Å; K317-K320 VanDerWaalsContact O-N 3.07Å; E318-K320 VanDerWaalsContact C-N 3.31Å; E318-K320 PolarHBondContact O-N 3.35Å; K320-K323 PolarHBondContact O-N 3.27Å; K320-L324 WeakPolarHBondContact O-CB 3.49Å; K320-L324 WeakPolarHBondContact O-CG 3.32Å; K320-L324 PolarHBondContact O-N 2.87Å
321E86.8Confident85.7Confident131 Ų131116.9 Ų116.961%0.61256%0.56SS**Hα-helixtrans-65.6-43.3175.4-73.4176-17000112.1K317 E318 L324 R325K317-E321 WeakPolarHBondContact O-CG 3.42Å; K317-E321 PolarHBondContact O-N 2.93Å; E318-E321 WeakPolarHBondContact O-CB 3.38Å; E318-E321 PolarHBondContact O-N 3.14Å; E318-E321 VanDerWaalsContact O-N 3.14Å; E321-L324 PolarHBondContact O-N 3.15Å; E321-R325 WeakPolarHBondContact O-CB 3.33Å; E321-R325 PolarHBondContact O-N 2.84Å
322E85.8Confident84.6Confident111 Ų111119.1 Ų119.152%0.51957%0.565SS.*Hα-helixtrans-60.4-45.7172.6-75.4-176.2153.500111.7E318 L324 R325 E326E318-E322 PolarHBondContact O-N 2.81Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 2.91Å; E322-R325 CarbonylContact O-C 3.56Å; E322-R325 WeakPolarHBondContact O-CA 3.22Å; E322-R325 VanDerWaalsContact O-CB 3.28Å; E322-R325 WeakPolarHBondContact O-CB 3.19Å; E322-R325 PolarHBondContact O-N 3.01Å; E322-E326 PolarHBondContact O-N 3.42Å
323K87.4Confident83.3Confident141 Ų141118.4 Ų118.461%0.61356%0.563SS**Hα-helixtrans-62.8-38176.9-171.7167.1-174.4170.10112.5K319 K320 R325 L327K319-K323 WeakPolarHBondContact O-CB 3.39Å; K319-K323 PolarHBondContact O-N 3.25Å; K320-K323 PolarHBondContact O-N 3.27Å; K323-R325 VanDerWaalsContact C-N 3.32Å; K323-L327 WeakPolarHBondContact O-CB 3.49Å; K323-L327 PolarHBondContact O-N 3.47Å
324L83.8Confident81.7Confident115 Ų115124.2 Ų124.260%0.60258%0.582SS**Hα-helixtrans-67.3-34.6172.7-73.8168.5000111.6K320 E321 E322 A328K320-L324 WeakPolarHBondContact O-CB 3.49Å; K320-L324 WeakPolarHBondContact O-CG 3.32Å; K320-L324 PolarHBondContact O-N 2.87Å; E321-L324 PolarHBondContact O-N 3.15Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 2.91Å; L324-A328 VanDerWaalsContact O-CB 3.25Å; L324-A328 WeakPolarHBondContact O-CB 3.37Å; L324-A328 PolarHBondContact O-N 3.4Å
325R85.6Confident80.1Confident189 Ų189128.9 Ų128.971%0.71359%0.594SS**Hα-helixtrans-67.7-43.6175.8-166.2-179.8-167.1161.13.6111.7E321 E322 K323 A328 Q329E321-R325 WeakPolarHBondContact O-CB 3.33Å; E321-R325 PolarHBondContact O-N 2.84Å; E322-R325 CarbonylContact O-C 3.56Å; E322-R325 WeakPolarHBondContact O-CA 3.22Å; E322-R325 VanDerWaalsContact O-CB 3.28Å; E322-R325 WeakPolarHBondContact O-CB 3.19Å; E322-R325 PolarHBondContact O-N 3.01Å; K323-R325 VanDerWaalsContact C-N 3.32Å; R325-A328 PolarHBondContact O-N 3.39Å; R325-Q329 WeakPolarHBondContact O-CB 3.28Å; R325-Q329 PolarHBondContact O-N 3.21Å
326E82.6Confident78.4Confident132 Ų132126.4 Ų126.462%0.61760%0.598SS**Hα-helixtrans-62-45.7173.5-73.5-179.8169.800111.6E322 A328 Q329 M330E322-E326 PolarHBondContact O-N 3.42Å; E326-A328 VanDerWaalsContact C-N 3.34Å; E326-A328 PolarHBondContact O-N 2.74Å; E326-Q329 PolarHBondContact O-N 3.3Å; E326-Q329 VanDerWaalsContact O-N 3.16Å; E326-M330 PolarHBondContact O-N 3.41Å
327L81Confident76.1Confident101 Ų101124.1 Ų124.153%0.52960%0.602SS.*Hα-helixtrans-60.9-41.5174.2-92.1160.5000112.2K323 Q329 A331K323-L327 WeakPolarHBondContact O-CB 3.49Å; K323-L327 PolarHBondContact O-N 3.47Å; L327-Q329 VanDerWaalsContact C-N 3.3Å; L327-Q329 PolarHBondContact O-N 2.88Å; L327-A331 VanDerWaalsContact O-CB 3.27Å; L327-A331 WeakPolarHBondContact O-CB 3.46Å; L327-A331 PolarHBondContact O-N 3.39Å
328A80.5Confident73.7Confident47 Ų47125 Ų12539%0.38861%0.613SS.*Hα-helixtrans-67.4-31.7175.800000112.2L324 R325 E326 R332L324-A328 VanDerWaalsContact O-CB 3.25Å; L324-A328 WeakPolarHBondContact O-CB 3.37Å; L324-A328 PolarHBondContact O-N 3.4Å; R325-A328 PolarHBondContact O-N 3.39Å; E326-A328 VanDerWaalsContact C-N 3.34Å; E326-A328 PolarHBondContact O-N 2.74Å; A328-R332 WeakPolarHBondContact O-CB 3.43Å; A328-R332 WeakPolarHBondContact O-CG 3.38Å; A328-R332 PolarHBondContact O-N 3.42Å
329Q78.1Confident71.5Confident113 Ų113130 Ų13053%0.52863%0.632SS.*Hα-helixtrans-73.4-45.9175.6-163.3163.6-3.400110.9R325 E326 L327 A331 R332 D333R325-Q329 WeakPolarHBondContact O-CB 3.28Å; R325-Q329 PolarHBondContact O-N 3.21Å; E326-Q329 PolarHBondContact O-N 3.3Å; E326-Q329 VanDerWaalsContact O-N 3.16Å; L327-Q329 VanDerWaalsContact C-N 3.3Å; L327-Q329 PolarHBondContact O-N 2.88Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 3.42Å; Q329-R332 CarbonylContact O-C 3.56Å; Q329-R332 WeakPolarHBondContact O-CA 3.41Å; Q329-R332 WeakPolarHBondContact O-CB 3.31Å; Q329-R332 PolarHBondContact O-N 3.23Å; Q329-D333 VanDerWaalsContact O-CG 3.23Å; Q329-D333 PolarHBondContact O-N 3.4Å
330M72.8Confident69Low130 Ų130127.9 Ų127.964%0.6464%0.636SS**Hα-helixtrans-56.4-43.2169.3-88.5-172162.300112.3E326 R332 D333 Q334E326-M330 PolarHBondContact O-N 3.41Å; M330-R332 VanDerWaalsContact C-N 3.31Å; M330-R332 PolarHBondContact O-N 2.87Å; M330-D333 PolarHBondContact O-N 3Å; M330-Q334 WeakPolarHBondContact O-CB 3.22Å; M330-Q334 WeakPolarHBondContact O-CG 3.45Å; M330-Q334 PolarHBondContact O-N 2.93Å
331A70.1Confident66.6Low55 Ų55131.9 Ų131.946%0.45566%0.656SS.*Hα-helixtrans-67.3-31.2176.700000112.6L327 Q329 R335L327-A331 VanDerWaalsContact O-CB 3.27Å; L327-A331 WeakPolarHBondContact O-CB 3.46Å; L327-A331 PolarHBondContact O-N 3.39Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 3.42Å; A331-R335 WeakPolarHBondContact O-CB 3.25Å; A331-R335 PolarHBondContact O-N 2.91Å
332R70.6Confident64.2Low186 Ų186129.1 Ų129.170%0.70266%0.663SS**Hα-helixtrans-74-40172.3-81.7179.5179.4158.21.3112A328 Q329 M330 Q334 R335 A336A328-R332 WeakPolarHBondContact O-CB 3.43Å; A328-R332 WeakPolarHBondContact O-CG 3.38Å; A328-R332 PolarHBondContact O-N 3.42Å; Q329-R332 CarbonylContact O-C 3.56Å; Q329-R332 WeakPolarHBondContact O-CA 3.41Å; Q329-R332 WeakPolarHBondContact O-CB 3.31Å; Q329-R332 PolarHBondContact O-N 3.23Å; M330-R332 VanDerWaalsContact C-N 3.31Å; M330-R332 PolarHBondContact O-N 2.87Å; R332-Q334 VanDerWaalsContact C-N 3.31Å; R332-Q334 PolarHBondContact O-N 2.99Å; R332-R335 CarbonylContact O-C 3.46Å; R332-R335 WeakPolarHBondContact O-CA 3.3Å; R332-R335 PolarHBondContact O-N 3.48Å; R332-A336 WeakPolarHBondContact O-CB 3.43Å; R332-A336 PolarHBondContact O-N 3.38Å
333D63.9Low61.8Low109 Ų109130 Ų13058%0.58367%0.671SS**Hα-helixtrans-66.1-36.4177-65.8-20.5000110.9Q329 M330 R335Q329-D333 VanDerWaalsContact O-CG 3.23Å; Q329-D333 PolarHBondContact O-N 3.4Å; M330-D333 PolarHBondContact O-N 3Å; D333-R335 VanDerWaalsContact C-N 3.3Å; D333-R335 PolarHBondContact O-N 3.26Å
334Q58.3Low59.6Low169 Ų169131.9 Ų131.979%0.7968%0.679SS**Hα-helixtrans-66.4-28.8169.6-75-176.9-1.800113.2M330 R332M330-Q334 WeakPolarHBondContact O-CB 3.22Å; M330-Q334 WeakPolarHBondContact O-CG 3.45Å; M330-Q334 PolarHBondContact O-N 2.93Å; R332-Q334 VanDerWaalsContact C-N 3.31Å; R332-Q334 PolarHBondContact O-N 2.99Å
335R57.6Low57.3Low231 Ų231130.5 Ų130.587%0.87269%0.693SS**Hα-helixtrans-88.5-24.5178.2-156.7-179.8-149.6-155.47.1113.7A331 R332 D333 G337A331-R335 WeakPolarHBondContact O-CB 3.25Å; A331-R335 PolarHBondContact O-N 2.91Å; R332-R335 CarbonylContact O-C 3.46Å; R332-R335 WeakPolarHBondContact O-CA 3.3Å; R332-R335 PolarHBondContact O-N 3.48Å; D333-R335 VanDerWaalsContact C-N 3.3Å; D333-R335 PolarHBondContact O-N 3.26Å; R335-G337 VanDerWaalsContact C-N 3.31Å; R335-G337 PolarHBondContact O-N 3.2Å
336A55.5Low55.1Low79 Ų79125 Ų12565%0.65370%0.695SS**SBendtrans-85.53.3-175.200000114.1R332R332-A336 WeakPolarHBondContact O-CB 3.43Å; R332-A336 PolarHBondContact O-N 3.38Å
337G41.7Very low53.4Low56 Ų56127.7 Ų127.758%0.57771%0.708SS**  trans5889.5156.300000115.7R335 K339R335-G337 VanDerWaalsContact C-N 3.31Å; R335-G337 PolarHBondContact O-N 3.2Å; G337-K339 PolarHBondContact O-N 3.33Å
338I40Very low52.2Low161 Ų161128.2 Ų128.283%0.82671%0.711SS**  trans-83.1103.9146-68.2174.3000107S340I338-S340 PolarHBondContact O-N 3.07Å; I338-S340 VanDerWaalsContact O-N 3.16Å
339K43.4Very low50.9Low213 Ų213129.8 Ų129.893%0.92672%0.719SS**  trans-60.6105.2150.2-83.9-179.6173-179.90107.2G337G337-K339 PolarHBondContact O-N 3.33Å
340S36Very low49.9Very low105 Ų105130.9 Ų130.973%0.73472%0.724SS**  trans-118.1118151.2-173.20000107.4I338I338-S340 PolarHBondContact O-N 3.07Å; I338-S340 VanDerWaalsContact O-N 3.16Å
341H37.8Very low49.3Very low196 Ų196127.2 Ų127.291%0.90771%0.714SS**  trans-48.8133.8169.6-95.7-89.7000111.2
342G35.6Very low48.9Very low72 Ų72132.8 Ų132.874%0.74272%0.724SS**  trans149.793.6158.800000117
343D36.3Very low48.3Very low131 Ų131129.5 Ų129.570%0.70172%0.716SS**  trans80.8109.5143.3-140.642.5000121.8
344K41.1Very low48.3Very low179 Ų179130.9 Ų130.978%0.77871%0.713SS**  trans67.2105.5144.3-72.4171.2-161.9129.70122.5
345G34.8Very low48.3Very low86 Ų86127.2 Ų127.289%0.88770%0.699SS**  126.4109.1118.900000117.6
346G38.4Very low48.6Very low73 Ų73122.1 Ų122.175%0.75369%0.687SS**  trans127.473.2151.400000117.3D348G346-D348 PolarHBondContact O-N 2.91Å; G346-D348 VanDerWaalsContact O-N 3.08Å
347E47.9Very low49.1Very low190 Ų190122.6 Ų122.689%0.88868%0.677SS**THydrogen-bonded Turntrans-68.68.4-176.6-119.9173.8164.600117
348D55.8Low50.4Low112 Ų112126.7 Ų126.760%0.59968%0.675SS**THydrogen-bonded Turntrans-101.3-4.9-166.1-150.230000115.2G346G346-D348 PolarHBondContact O-N 2.91Å; G346-D348 VanDerWaalsContact O-N 3.08Å
349S53.4Low51.7Low80 Ų80124.8 Ų124.856%0.55966%0.663SS**Hα-helixtrans-93.9-33179.8-159.90000113.5A351 R352 E353S349-A351 VanDerWaalsContact C-N 3.34Å; S349-A351 PolarHBondContact O-N 2.97Å; S349-R352 PolarHBondContact O-N 3.38Å; S349-E353 PolarHBondContact O-N 2.84Å
350E57.1Low52.5Low136 Ų136119 Ų11964%0.63664%0.642SS**Hα-helixtrans-69.4-29.5-179.8-97.7-167.8169.400113.1R354E350-R354 WeakPolarHBondContact O-CB 3.36Å; E350-R354 PolarHBondContact O-N 3.35Å
351A59.5Low54.1Low53 Ų53121.5 Ų121.544%0.43864%0.635SS.*Hα-helixtrans-69.9-39.2176.600000111.8S349 R354 D355S349-A351 VanDerWaalsContact C-N 3.34Å; S349-A351 PolarHBondContact O-N 2.97Å; A351-R354 PolarHBondContact O-N 3.07Å; A351-D355 PolarHBondContact O-N 3.46Å
352R61.3Low55.8Low172 Ų172120.5 Ų120.565%0.64962%0.623SS**Hα-helixtrans-68.3-41.7179.9-74.6-179.6178.8173.64.1112.5S349 R354 D355 M356S349-R352 PolarHBondContact O-N 3.38Å; R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.01Å; R352-D355 PolarHBondContact O-N 3.14Å; R352-M356 WeakPolarHBondContact O-CG 3.27Å; R352-M356 PolarHBondContact O-N 2.85Å
353E58.2Low57.5Low116 Ų116123.1 Ų123.154%0.54261%0.614SS.*Hα-helixtrans-66.7-35.4177-75.9-172.1152.900112.3S349 D355 I357S349-E353 PolarHBondContact O-N 2.84Å; E353-D355 VanDerWaalsContact C-N 3.33Å; E353-D355 PolarHBondContact O-N 3.36Å; E353-I357 WeakPolarHBondContact O-CD1 3.33Å; E353-I357 VanDerWaalsContact O-CG1 3.28Å; E353-I357 WeakPolarHBondContact O-CG1 3.43Å; E353-I357 PolarHBondContact O-N 2.84Å; E353-I357 VanDerWaalsContact O-N 3.14Å
354R65.1Low58.6Low138 Ų138121.7 Ų121.752%0.52161%0.607SS.*Hα-helixtrans-68.4-32.7177.1-153.1179.8-66154.30.9112.3E350 A351 R352 R358E350-R354 WeakPolarHBondContact O-CB 3.36Å; E350-R354 PolarHBondContact O-N 3.35Å; A351-R354 PolarHBondContact O-N 3.07Å; R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.01Å; R354-R358 WeakPolarHBondContact O-CG 3.49Å; R354-R358 PolarHBondContact O-N 2.69Å
355D58.2Low60.1Low93 Ų93120.7 Ų120.750%0.49760%0.598SS.*Hα-helixtrans-78.5-35.7175.7-88.4-16000113.7A351 R352 E353 R358 H359A351-D355 PolarHBondContact O-N 3.46Å; R352-D355 PolarHBondContact O-N 3.14Å; E353-D355 VanDerWaalsContact C-N 3.33Å; E353-D355 PolarHBondContact O-N 3.36Å; D355-R358 PolarHBondContact O-N 2.99Å; D355-R358 IonicContact OD1-CZ 3.66Å; D355-R358 IonicContact OD1-NH1 2.86Å; D355-R358 PolarHBondContact OD1-NH1 3.21Å; D355-H359 WeakPolarHBondContact O-CB 3.41Å; D355-H359 PolarHBondContact O-N 3.02Å
356M64Low61.5Low124 Ų124122.5 Ų122.561%0.61158%0.583SS**Hα-helixtrans-63.7-41.8173.1-67.8-152.3-55.100112R352 R358 H359 D360R352-M356 WeakPolarHBondContact O-CG 3.27Å; R352-M356 PolarHBondContact O-N 2.85Å; M356-R358 VanDerWaalsContact C-N 3.27Å; M356-R358 PolarHBondContact O-N 2.98Å; M356-H359 PolarHBondContact O-N 3.33Å; M356-H359 VanDerWaalsContact O-N 3.13Å; M356-D360 PolarHBondContact O-N 3.09Å
357I64.8Low62.7Low88 Ų88124.7 Ų124.745%0.45157%0.574SS.*Hα-helixtrans-64.7-31.7176.8-68.5168.1000111.9E353 R361E353-I357 WeakPolarHBondContact O-CD1 3.33Å; E353-I357 VanDerWaalsContact O-CG1 3.28Å; E353-I357 WeakPolarHBondContact O-CG1 3.43Å; E353-I357 PolarHBondContact O-N 2.84Å; E353-I357 VanDerWaalsContact O-N 3.14Å; I357-R361 VanDerWaalsContact CG2-NH2 3.28Å; I357-R361 WeakPolarHBondContact O-CB 3.36Å; I357-R361 PolarHBondContact O-N 3.17Å
358R70.6Confident63.4Low143 Ų143120.6 Ų120.654%0.5456%0.558SS.*Hα-helixtrans-74-37.6173.5-73.8178.2-157.4143.5-4111.9R354 D355 M356 R362R354-R358 WeakPolarHBondContact O-CG 3.49Å; R354-R358 PolarHBondContact O-N 2.69Å; D355-R358 PolarHBondContact O-N 2.99Å; D355-R358 IonicContact OD1-CZ 3.66Å; D355-R358 IonicContact OD1-NH1 2.86Å; D355-R358 PolarHBondContact OD1-NH1 3.21Å; M356-R358 VanDerWaalsContact C-N 3.27Å; M356-R358 PolarHBondContact O-N 2.98Å; R358-R362 VanDerWaalsContact O-CB 3.31Å; R358-R362 WeakPolarHBondContact O-CB 3.45Å; R358-R362 PolarHBondContact O-N 3.03Å
359H67.3Low63.9Low121 Ų121124.3 Ų124.356%0.5656%0.564SS**Hα-helixtrans-67-46178.5-169.351.7000111.6D355 M356 R362 K363D355-H359 WeakPolarHBondContact O-CB 3.41Å; D355-H359 PolarHBondContact O-N 3.02Å; M356-H359 PolarHBondContact O-N 3.33Å; M356-H359 VanDerWaalsContact O-N 3.13Å; H359-R362 WeakPolarHBondContact O-CB 3.5Å; H359-R362 PolarHBondContact O-N 3.3Å; H359-R362 VanDerWaalsContact O-N 3.12Å; H359-K363 WeakPolarHBondContact O-CB 3.49Å; H359-K363 PolarHBondContact O-N 3.43Å
360D59.8Low64.4Low92 Ų92125.9 Ų125.949%0.49257%0.566SS.*Hα-helixtrans-64.2-46.4177.3-79.8-15000111.8M356 R362 K363 D364M356-D360 PolarHBondContact O-N 3.09Å; D360-R362 PolarHBondContact O-N 2.91Å; D360-R362 VanDerWaalsContact O-N 3.16Å; D360-K363 PolarHBondContact O-N 3.28Å; D360-D364 PolarHBondContact O-N 2.85Å
361R69.3Low64.5Low156 Ų156124.1 Ų124.159%0.58956%0.56SS**Hα-helixtrans-64-23.1174.7-88.3-168.2-92.7-178.1-13113.6I357 R365I357-R361 VanDerWaalsContact CG2-NH2 3.28Å; I357-R361 WeakPolarHBondContact O-CB 3.36Å; I357-R361 PolarHBondContact O-N 3.17Å; R361-R365 WeakPolarHBondContact O-CB 3.26Å; R361-R365 PolarHBondContact O-N 3.21Å; R361-R365 PolarHBondContact O-NE 3.03Å; R361-R365 PolarHBondContact O-NH2 2.85Å
362R72.2Confident64.6Low175 Ų175125.1 Ų125.166%0.6656%0.563SS**Hα-helixtrans-78.7-38.5173.9-167.9178.7-171.3176.42.3110.6R358 H359 D360 Q366R358-R362 VanDerWaalsContact O-CB 3.31Å; R358-R362 WeakPolarHBondContact O-CB 3.45Å; R358-R362 PolarHBondContact O-N 3.03Å; H359-R362 WeakPolarHBondContact O-CB 3.5Å; H359-R362 PolarHBondContact O-N 3.3Å; H359-R362 VanDerWaalsContact O-N 3.12Å; D360-R362 PolarHBondContact O-N 2.91Å; D360-R362 VanDerWaalsContact O-N 3.16Å; R362-Q366 WeakPolarHBondContact O-CB 3.19Å; R362-Q366 PolarHBondContact O-N 3.42Å
363K72.9Confident64.6Low127 Ų127127.6 Ų127.655%0.55257%0.573SS**Hα-helixtrans-68.8-42.7178.4-156.4177.9-177.1-178.30111.9H359 D360 Q366 H367H359-K363 WeakPolarHBondContact O-CB 3.49Å; H359-K363 PolarHBondContact O-N 3.43Å; D360-K363 PolarHBondContact O-N 3.28Å; K363-Q366 CarbonylContact O-C 3.59Å; K363-Q366 WeakPolarHBondContact O-CB 3.29Å; K363-Q366 PolarHBondContact O-N 3.09Å; K363-Q366 VanDerWaalsContact O-N 3.13Å; K363-H367 PolarHBondContact O-N 3.14Å
364D59.8Low64.8Low101 Ų101126.1 Ų126.154%0.5458%0.581SS.*Hα-helixtrans-64.8-44.5174.6-75.4-12.5000111.7D360 Q366 H367 D368D360-D364 PolarHBondContact O-N 2.85Å; D364-Q366 PolarHBondContact O-N 3.39Å; D364-H367 PolarHBondContact O-N 3.02Å; D364-H367 VanDerWaalsContact O-N 3.16Å; D364-D368 WeakPolarHBondContact O-CB 3.38Å; D364-D368 PolarHBondContact O-N 3.33Å
365R71.1Confident64.5Low159 Ų159121.7 Ų121.760%0.657%0.573SS**Hα-helixtrans-63.9-30173.1-84.3-180-80141.7-7.6112.5R361 R369R361-R365 WeakPolarHBondContact O-CB 3.26Å; R361-R365 PolarHBondContact O-N 3.21Å; R361-R365 PolarHBondContact O-NE 3.03Å; R361-R365 PolarHBondContact O-NH2 2.85Å; R365-R369 WeakPolarHBondContact O-CB 3.47Å; R365-R369 PolarHBondContact O-N 3.03Å
366Q64.6Low64.6Low123 Ų123121.8 Ų121.858%0.57558%0.579SS**Hα-helixtrans-72.7-38.4173.7-120.8172.1-15.800111.9R362 K363 D364 R369 N370R362-Q366 WeakPolarHBondContact O-CB 3.19Å; R362-Q366 PolarHBondContact O-N 3.42Å; K363-Q366 CarbonylContact O-C 3.59Å; K363-Q366 WeakPolarHBondContact O-CB 3.29Å; K363-Q366 PolarHBondContact O-N 3.09Å; K363-Q366 VanDerWaalsContact O-N 3.13Å; D364-Q366 PolarHBondContact O-N 3.39Å; Q366-R369 PolarHBondContact O-N 3.15Å; Q366-N370 WeakPolarHBondContact O-CB 3.49Å; Q366-N370 PolarHBondContact O-N 2.99Å
367H64.5Low64.4Low119 Ų119123.4 Ų123.455%0.55159%0.59SS**Hα-helixtrans-65-47.2175.3-169.160.9000111K363 D364 R369 N370 I371K363-H367 PolarHBondContact O-N 3.14Å; D364-H367 PolarHBondContact O-N 3.02Å; D364-H367 VanDerWaalsContact O-N 3.16Å; H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 3.26Å; H367-N370 PolarHBondContact O-N 3.44Å; H367-I371 WeakPolarHBondContact NE2-CD1 3.48Å; H367-I371 WeakPolarHBondContact O-CB 3.35Å; H367-I371 WeakPolarHBondContact O-CG1 3.28Å; H367-I371 PolarHBondContact O-N 3.36Å
368D61.7Low64.1Low104 Ų104125.9 Ų125.956%0.55660%0.598SS**Hα-helixtrans-65.2-35.7174.8-79.6-14.8000112.5D364 S372D364-D368 WeakPolarHBondContact O-CB 3.38Å; D364-D368 PolarHBondContact O-N 3.33Å; D368-S372 VanDerWaalsContact O-CB 3.23Å; D368-S372 WeakPolarHBondContact O-CB 3.4Å; D368-S372 PolarHBondContact O-N 3.31Å; D368-S372 PolarHBondContact O-OG 2.87Å
369R66.6Low63.5Low191 Ų191128.9 Ų128.972%0.72161%0.609SS**Hα-helixtrans-72.2-30.7175.8-152.8178.1-146.4-172.75.4112.6R365 Q366 H367 S372 R373R365-R369 WeakPolarHBondContact O-CB 3.47Å; R365-R369 PolarHBondContact O-N 3.03Å; Q366-R369 PolarHBondContact O-N 3.15Å; H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 3.26Å; R369-S372 WeakPolarHBondContact CA-OG 3.23Å; R369-S372 PolarHBondContact O-OG 2.82Å; R369-R373 VanDerWaalsContact O-CB 3.23Å; R369-R373 WeakPolarHBondContact O-CB 3.48Å; R369-R373 PolarHBondContact O-N 3.49Å
370N63.7Low63.2Low113 Ų113126.7 Ų126.760%0.60461%0.607SS**Hα-helixtrans-75.4-40.1172.2-877.7000111.9Q366 H367 R373 A374Q366-N370 WeakPolarHBondContact O-CB 3.49Å; Q366-N370 PolarHBondContact O-N 2.99Å; H367-N370 PolarHBondContact O-N 3.44Å; N370-R373 PolarHBondContact O-N 3.07Å; N370-A374 VanDerWaalsContact O-CB 3.26Å; N370-A374 WeakPolarHBondContact O-CB 3.43Å; N370-A374 PolarHBondContact O-N 3.41Å
371I59.3Low63.2Low98 Ų98129.2 Ų129.250%0.50361%0.614SS.*Hα-helixtrans-64.9-42.4175-72173.3000110.8H367 R373H367-I371 WeakPolarHBondContact NE2-CD1 3.48Å; H367-I371 WeakPolarHBondContact O-CB 3.35Å; H367-I371 WeakPolarHBondContact O-CG1 3.28Å; H367-I371 PolarHBondContact O-N 3.36Å; I371-R373 VanDerWaalsContact C-N 3.31Å; I371-R373 PolarHBondContact O-N 2.99Å
372S61.2Low62.7Low74 Ų74127.6 Ų127.652%0.51762%0.616SS.*Hα-helixtrans-69.8-23.4176.952.60000114D368 R369D368-S372 VanDerWaalsContact O-CB 3.23Å; D368-S372 WeakPolarHBondContact O-CB 3.4Å; D368-S372 PolarHBondContact O-N 3.31Å; D368-S372 PolarHBondContact O-OG 2.87Å; R369-S372 WeakPolarHBondContact CA-OG 3.23Å; R369-S372 PolarHBondContact O-OG 2.82Å
373R62.8Low62.2Low225 Ų225125.4 Ų125.485%0.84961%0.613SS**Hα-helixtrans-92.1-20.5177.8-161.3172.5177.5161-0113.8R369 N370 I371R369-R373 VanDerWaalsContact O-CB 3.23Å; R369-R373 WeakPolarHBondContact O-CB 3.48Å; R369-R373 PolarHBondContact O-N 3.49Å; N370-R373 PolarHBondContact O-N 3.07Å; I371-R373 VanDerWaalsContact C-N 3.31Å; I371-R373 PolarHBondContact O-N 2.99Å
374A61.8Low61.7Low85 Ų85126.8 Ų126.870%0.70262%0.615SS**Hα-helixtrans-84.7-25.4-175.100000115.2N370N370-A374 VanDerWaalsContact O-CB 3.26Å; N370-A374 WeakPolarHBondContact O-CB 3.43Å; N370-A374 PolarHBondContact O-N 3.41Å
375A58.5Low61.6Low44 Ų44124.3 Ų124.336%0.36460%0.602SS.*  trans-177.2105.3166.400000111.6D377A375-D377 VanDerWaalsContact C-N 3.28Å; A375-D377 PolarHBondContact O-N 3.16Å
376P60.9Low61.2Low96 Ų96124.3 Ų124.362%0.62361%0.609SS**G310 helixtrans-66.4-22.6-177.822.8-30.7000114.6K378P376-K378 PolarHBondContact O-N 2.87Å
377D59.6Low60.9Low158 Ų158125.2 Ų125.285%0.84562%0.617SS**G310 helixtrans-82.5-3.9-173.3-62.6-32.6000115.3A375A375-D377 VanDerWaalsContact C-N 3.28Å; A375-D377 PolarHBondContact O-N 3.16Å
378K58.3Low61.1Low140 Ų140123.7 Ų123.761%0.60961%0.607SS**G310 helixtrans-103.3-0.8-176.5-64.7-173.9-178.6-179.90114.5P376 S380 K381 L382P376-K378 PolarHBondContact O-N 2.87Å; K378-S380 PolarHBondContact O-N 3.45Å; K378-K381 PolarHBondContact O-N 3.32Å; K378-L382 HydrophobicContact CB-CD1 4.28Å; K378-L382 PolarHBondContact O-N 3.05Å
379R58.6Low61.3Low206 Ų206124.4 Ų124.478%0.77761%0.611SS**Hα-helixtrans-59.2-42.9-174.8-166.3176.7178.9179.90.1113.5K381R379-K381 VanDerWaalsContact C-N 3.35Å; R379-K381 PolarHBondContact O-N 2.86Å
380S60.3Low61Low75 Ų75120.5 Ų120.552%0.52461%0.608SS.*Hα-helixtrans-75.5-20.5-178.5177.30000114K378K378-S380 PolarHBondContact O-N 3.45Å
381K60.1Low61Low144 Ų144119.2 Ų119.263%0.62661%0.608SS**Hα-helixtrans-91.4-36.7-174.7-156.4173.4-175.8176.70111.7K378 R379 D385K378-K381 PolarHBondContact O-N 3.32Å; R379-K381 VanDerWaalsContact C-N 3.35Å; R379-K381 PolarHBondContact O-N 2.86Å; K381-D385 WeakPolarHBondContact O-CB 3.49Å; K381-D385 PolarHBondContact O-N 3.43Å; K381-D385 VanDerWaalsContact O-N 3.14Å
382L58.2Low61.4Low122 Ų122120.3 Ų120.364%0.63961%0.611SS**Hα-helixtrans-70-37.3177.3-87.3156.5000113K378 Q386K378-L382 HydrophobicContact CB-CD1 4.28Å; K378-L382 PolarHBondContact O-N 3.05Å; L382-Q386 WeakPolarHBondContact O-CB 3.26Å; L382-Q386 PolarHBondContact O-N 3.49Å
383Q61.6Low61.6Low129 Ų129119 Ų11960%0.60360%0.598SS**Hα-helixtrans-74.1-31.9178.7-160.6166.38.600112.4
384R62.5Low61.5Low157 Ų157114.5 Ų114.559%0.59259%0.589SS**Hα-helixtrans-79.5-30.2178.4-165-176.7-66146.91.2113.7Q386R384-Q386 VanDerWaalsContact C-N 3.32Å
385D58.4Low61.6Low49 Ų49114.8 Ų114.826%0.26259%0.592SS.*Hα-helixtrans-80.5-13.6175-80.4-18.3000111.9K381 R388 K398K381-D385 WeakPolarHBondContact O-CB 3.49Å; K381-D385 PolarHBondContact O-N 3.43Å; K381-D385 VanDerWaalsContact O-N 3.14Å; D385-R388 IonicContact OD1-CZ 2.73Å; D385-R388 IonicContact OD1-NE 3.38Å; D385-R388 IonicContact OD1-NH1 3.7Å; D385-R388 PolarHBondContact OD1-NH1 3.5Å; D385-K398 IonicContact OD1-NZ 2.95Å; D385-K398 PolarHBondContact OD1-NZ 3.37Å; D385-K398 IonicContact OD2-NZ 3.96Å; D385-K398 PolarHBondContact OD2-NZ 2.96Å
386Q61.9Low61.6Low158 Ų158117.9 Ų117.974%0.73860%0.602SS**Hα-helixtrans-77.2-26176-161.1171.819.800113.1L382 R384L382-Q386 WeakPolarHBondContact O-CB 3.26Å; L382-Q386 PolarHBondContact O-N 3.49Å; R384-Q386 VanDerWaalsContact C-N 3.32Å
387D58.4Low61.6Low142 Ų142116.3 Ų116.376%0.75960%0.602SS**THydrogen-bonded Turntrans-95.28.9179.4-66.2-25.6000113.7
388R69.3Low61.9Low87 Ų87112.3 Ų112.333%0.32858%0.578SS.*SBendtrans-92.8130.8-179.8-77-176.8176.6160.40.5112.4D385 L393D385-R388 IonicContact OD1-CZ 2.73Å; D385-R388 IonicContact OD1-NE 3.38Å; D385-R388 IonicContact OD1-NH1 3.7Å; D385-R388 PolarHBondContact OD1-NH1 3.5Å; R388-L393 HydrophobicContact CB-CD1 4.4Å; R388-L393 HydrophobicContact CB-CD2 4.36Å; R388-L393 HydrophobicContact CB-CG 4.19Å
389D65.1Low61.9Low119 Ų119111.3 Ų111.364%0.63659%0.585SS**  trans-64.2145.5177.2-87.5-26.8000112.5S391 E392 L393D389-S391 PolarHBondContact O-N 3.11Å; D389-S391 VanDerWaalsContact O-N 3.15Å; D389-E392 PolarHBondContact O-N 3.25Å; D389-L393 PolarHBondContact O-N 3.47Å
390V60Low62Low110 Ų110107.2 Ų107.267%0.66758%0.579SS**Hα-helixtrans-61.4-28.3-170.7-172.40000112.8I394V390-I394 HydrophobicContact CG1-CD1 4.37Å; V390-I394 WeakPolarHBondContact O-CD1 3.4Å; V390-I394 VanDerWaalsContact O-CG1 3.3Å; V390-I394 WeakPolarHBondContact O-CG1 3.43Å; V390-I394 PolarHBondContact O-N 2.87Å
391S63.8Low62.1Low85 Ų85109.3 Ų109.359%0.59459%0.591SS**Hα-helixtrans-70.7-35.9175.250.90000113.2D389 I394 A395D389-S391 PolarHBondContact O-N 3.11Å; D389-S391 VanDerWaalsContact O-N 3.15Å; S391-I394 PolarHBondContact O-N 3.23Å; S391-A395 PolarHBondContact O-N 3.4Å; S391-A395 VanDerWaalsContact O-N 3.09Å
392E68.1Low61.9Low122 Ų122112.1 Ų112.157%0.5760%0.597SS**Hα-helixtrans-74.7-31.1177.8-64.9-167.416100112D389 I394 L396D389-E392 PolarHBondContact O-N 3.25Å; E392-I394 VanDerWaalsContact C-N 3.33Å; E392-L396 VanDerWaalsContact O-CB 3.31Å; E392-L396 WeakPolarHBondContact O-CB 3.37Å; E392-L396 PolarHBondContact O-N 3.45Å
393L65.5Low61.9Low47 Ų47113.1 Ų113.125%0.24661%0.609CS.*Hα-helixtrans-66.8-33.8173.2-72.4165.6000112.4R388 D389 G397 K398R388-L393 HydrophobicContact CB-CD1 4.4Å; R388-L393 HydrophobicContact CB-CD2 4.36Å; R388-L393 HydrophobicContact CB-CG 4.19Å; D389-L393 PolarHBondContact O-N 3.47Å; L393-G397 PolarHBondContact O-N 3.36Å; L393-K398 HydrophobicContact CD2-CD 4.45Å; L393-K398 PolarHBondContact O-N 3.06Å
394I61.3Low61.6Low129 Ų129112 Ų11266%0.66262%0.615SS**Hα-helixtrans-74.4-42.6175.3-66.2166.3000110.9V390 S391 E392 L396 G397V390-I394 HydrophobicContact CG1-CD1 4.37Å; V390-I394 WeakPolarHBondContact O-CD1 3.4Å; V390-I394 VanDerWaalsContact O-CG1 3.3Å; V390-I394 WeakPolarHBondContact O-CG1 3.43Å; V390-I394 PolarHBondContact O-N 2.87Å; S391-I394 PolarHBondContact O-N 3.23Å; E392-I394 VanDerWaalsContact C-N 3.33Å; I394-L396 VanDerWaalsContact C-N 3.31Å; I394-L396 PolarHBondContact O-N 3.29Å; I394-G397 PolarHBondContact O-N 3.09Å; I394-G397 VanDerWaalsContact O-N 3.14Å
395A62.8Low61.3Low92 Ų92110.6 Ų110.676%0.7663%0.63SS**Hα-helixtrans-68-28178.300000113.3S391 G397S391-A395 PolarHBondContact O-N 3.4Å; S391-A395 VanDerWaalsContact O-N 3.09Å; A395-G397 VanDerWaalsContact C-N 3.31Å
396L60Low61Low109 Ų109116.7 Ų116.757%0.57166%0.656SS**THydrogen-bonded Turntrans-87.12.4174.4-154.676.1000113.2E392 I394 K398E392-L396 VanDerWaalsContact O-CB 3.31Å; E392-L396 WeakPolarHBondContact O-CB 3.37Å; E392-L396 PolarHBondContact O-N 3.45Å; I394-L396 VanDerWaalsContact C-N 3.31Å; I394-L396 PolarHBondContact O-N 3.29Å; L396-K398 HydrophobicContact CD2-CD 4.06Å; L396-K398 HydrophobicContact CD2-CG 4.17Å; L396-K398 PolarHBondContact O-N 2.79Å; L396-K398 VanDerWaalsContact O-N 3.11Å
397G59.5Low60.8Low62 Ų62112.5 Ų112.564%0.63965%0.649SS**THydrogen-bonded Turntrans60.921.3176.100000114.8L393 I394 A395 P399L393-G397 PolarHBondContact O-N 3.36Å; I394-G397 PolarHBondContact O-N 3.09Å; I394-G397 VanDerWaalsContact O-N 3.14Å; A395-G397 VanDerWaalsContact C-N 3.31Å; G397-P399 WeakPolarHBondContact O-CD 3.42Å
398K66.3Low61.2Low75 Ų75115.5 Ų115.533%0.32666%0.658SS.*  trans-78.1120.9-179.4-77.5-168.2174-176.10109.7D385 L393 L396 N400D385-K398 IonicContact OD1-NZ 2.95Å; D385-K398 PolarHBondContact OD1-NZ 3.37Å; D385-K398 IonicContact OD2-NZ 3.96Å; D385-K398 PolarHBondContact OD2-NZ 2.96Å; L393-K398 HydrophobicContact CD2-CD 4.45Å; L393-K398 PolarHBondContact O-N 3.06Å; L396-K398 HydrophobicContact CD2-CD 4.06Å; L396-K398 HydrophobicContact CD2-CG 4.17Å; L396-K398 PolarHBondContact O-N 2.79Å; L396-K398 VanDerWaalsContact O-N 3.11Å; K398-N400 PolarHBondContact O-N 3.47Å
399P59.1Low61.1Low119 Ų119120.3 Ų120.377%0.77368%0.678SS**  trans-68.1129.8-179.925.7-31.5000110.5G397 P401G397-P399 WeakPolarHBondContact O-CD 3.42Å; P399-P401 VanDerWaalsContact O-CD 3.29Å; P399-P401 WeakPolarHBondContact O-CD 3.47Å
400N60.7Low61.3Low120 Ų120118 Ų11864%0.64267%0.666SS**  trans-62.3114178.7-1769.7000110.4K398 R402K398-N400 PolarHBondContact O-N 3.47Å; N400-R402 PolarHBondContact O-N 2.92Å
401P60.7Low61.9Low119 Ų119121 Ų12177%0.77367%0.672SS**  trans-85.359.8-179.436.7-33.8000109.8P399P399-P401 VanDerWaalsContact O-CD 3.29Å; P399-P401 WeakPolarHBondContact O-CD 3.47Å
402R56.9Low62.4Low203 Ų203126.3 Ų126.377%0.76668%0.679SS**  trans-88.2105.6161.7-77.4-174.1173.3-171.6-2.8107.2N400 S404N400-R402 PolarHBondContact O-N 2.92Å; R402-S404 PolarHBondContact O-N 3.49Å
403T57.5Low62.5Low142 Ų142126.1 Ų126.187%0.87168%0.682SS**  trans-70.591.9170.950.10000108.7
404S55.4Low62.6Low105 Ų105131.7 Ų131.773%0.73470%0.704SS**  trans-76125.9172.5-42.30000109.5R402 E406R402-S404 PolarHBondContact O-N 3.49Å; S404-E406 VanDerWaalsContact C-N 3.31Å; S404-E406 PolarHBondContact O-N 2.84Å
405S57.8Low62.8Low129 Ų129132.9 Ų132.990%0.90271%0.712SS**  trans-87.843.4-172.960.30000113.9
406E51.7Low63.1Low177 Ų177134.5 Ų134.583%0.82770%0.704SS**SBendtrans-144.7146.9-178.1-140.5170.8-175.800111.5S404S404-E406 VanDerWaalsContact C-N 3.31Å; S404-E406 PolarHBondContact O-N 2.84Å
407A58Low63.3Low70 Ų70134.8 Ų134.858%0.57971%0.714SS**  trans-49.5136.5-163.300000114.5Y409A407-Y409 VanDerWaalsContact O-CD2 3.26Å; A407-Y409 WeakPolarHBondContact O-CD2 3.42Å; A407-Y409 PolarHBondContact O-N 3.04Å; A407-Y409 VanDerWaalsContact O-N 3.15Å
408Q66.4Low63.5Low204 Ų204139.7 Ų139.795%0.95372%0.718SS**  trans-66.6109.4178.7-66.9178.4-25.300110.6
409Y67.1Low63.3Low189 Ų189139.3 Ų139.374%0.74174%0.735SS**  trans-89.9137.1167-66-81000110.1A407 Q411A407-Y409 VanDerWaalsContact O-CD2 3.26Å; A407-Y409 WeakPolarHBondContact O-CD2 3.42Å; A407-Y409 PolarHBondContact O-N 3.04Å; A407-Y409 VanDerWaalsContact O-N 3.15Å; Y409-Q411 PolarHBondContact O-N 2.71Å
410D69.4Low63.4Low71 Ų71142.3 Ų142.338%0.3874%0.741SS.*  trans-69.4117.7177.9-173.4-19.5000110.1R412 L413D410-R412 PolarHBondContact O-N 2.96Å; D410-R412 WeakPolarHBondContact OD1-CB 3.49Å; D410-R412 IonicContact OD1-CZ 2.86Å; D410-R412 PolarHBondContact OD1-N 3.01Å; D410-R412 IonicContact OD1-NE 2.83Å; D410-R412 PolarHBondContact OD1-NE 3.2Å; D410-R412 VanDerWaalsContact OD1-NE 3.09Å; D410-R412 IonicContact OD1-NH2 2.6Å; D410-R412 IonicContact OD2-CZ 2.67Å; D410-R412 IonicContact OD2-NE 3.08Å; D410-R412 PolarHBondContact OD2-NE 2.74Å; D410-R412 IonicContact OD2-NH2 2.94Å; D410-R412 PolarHBondContact OD2-NH2 3.48Å; D410-L413 HydrophobicContact CB-CD1 3.95Å; D410-L413 PolarHBondContact O-N 3.02Å
411Q73Confident63.3Low173 Ų173144.3 Ų144.381%0.80875%0.752SS**THydrogen-bonded Turntrans-60.4-20.3-176.3-156.9165.38.800113.3Y409 L413 F414Y409-Q411 PolarHBondContact O-N 2.71Å; Q411-L413 PolarHBondContact O-N 3.33Å; Q411-F414 PolarHBondContact O-N 3.14Å
412R73.4Confident63.4Low195 Ų195143.4 Ų143.474%0.73675%0.748SS**THydrogen-bonded Turntrans-70.6-16.8175.2-67.4174.3-76.7-172.2-1.5113.7D410 Q416D410-R412 PolarHBondContact O-N 2.96Å; D410-R412 WeakPolarHBondContact OD1-CB 3.49Å; D410-R412 IonicContact OD1-CZ 2.86Å; D410-R412 PolarHBondContact OD1-N 3.01Å; D410-R412 IonicContact OD1-NE 2.83Å; D410-R412 PolarHBondContact OD1-NE 3.2Å; D410-R412 VanDerWaalsContact OD1-NE 3.09Å; D410-R412 IonicContact OD1-NH2 2.6Å; D410-R412 IonicContact OD2-CZ 2.67Å; D410-R412 IonicContact OD2-NE 3.08Å; D410-R412 PolarHBondContact OD2-NE 2.74Å; D410-R412 IonicContact OD2-NH2 2.94Å; D410-R412 PolarHBondContact OD2-NH2 3.48Å; R412-Q416 PolarHBondContact O-NE2 3.15Å
413L71Confident63.5Low119 Ų119136.5 Ų136.562%0.62374%0.741SS**THydrogen-bonded Turntrans-94.7-19.5177.2-81.8125.5000113.2D410 Q411 N415D410-L413 HydrophobicContact CB-CD1 3.95Å; D410-L413 PolarHBondContact O-N 3.02Å; Q411-L413 PolarHBondContact O-N 3.33Å; L413-N415 VanDerWaalsContact C-N 3.25Å; L413-N415 PolarHBondContact O-N 3.49Å
414F65.9Low63.5Low163 Ų163138.6 Ų138.672%0.71574%0.738SS**THydrogen-bonded Turntrans-79.52.9-169-142.8-94.9000115.3Q411Q411-F414 PolarHBondContact O-N 3.14Å
415N65.9Low63.8Low154 Ų154136.5 Ų136.582%0.82473%0.727SS**THydrogen-bonded Turntrans-140.925.6179-83.5-34.2000113L413 S417L413-N415 VanDerWaalsContact C-N 3.25Å; L413-N415 PolarHBondContact O-N 3.49Å; N415-S417 PolarHBondContact O-N 3.19Å
416Q69.4Low64Low127 Ų127133.5 Ų133.559%0.59372%0.717SS**  trans-82.7100169.8-65.1-173.515.400108.5R412 K418R412-Q416 PolarHBondContact O-NE2 3.15Å; Q416-K418 PolarHBondContact O-N 3.45Å
417S64.4Low64.5Low114 Ų114127.5 Ų127.580%0.79770%0.702SS**  trans-68.121.2-176.8630000115.2N415 G419N415-S417 PolarHBondContact O-N 3.19Å; S417-G419 VanDerWaalsContact C-N 3.33Å; S417-G419 PolarHBondContact O-N 3.46Å
418K64Low64.5Low165 Ų165130.6 Ų130.672%0.71771%0.705SS**THydrogen-bonded Turntrans-81.6-0.4-170.4-89.6-173.1171.7-175.40115.5Q416Q416-K418 PolarHBondContact O-N 3.45Å
419G62.3Low64.4Low67 Ų67128.4 Ų128.469%0.69170%0.7SS**THydrogen-bonded Turntrans-103.7-12.9-167.500000117.7S417S417-G419 VanDerWaalsContact C-N 3.33Å; S417-G419 PolarHBondContact O-N 3.46Å
420M61Low64.3Low182 Ų182128.2 Ų128.290%0.89771%0.706SS**SBendtrans-117.2-14.7-171.7-73.5-169.573.700115.7
421D58.7Low64.1Low163 Ų163127.9 Ų127.987%0.87271%0.706SS**SBendtrans-96.3-11.4-173.8-119.515000113.8G423D421-G423 PolarHBondContact O-N 3.16Å
422S63.1Low63.8Low99 Ų99129.8 Ų129.869%0.69271%0.707SS**  trans-90.441178.865.90000112.4
423G57.4Low63.9Low59 Ų59127 Ų12761%0.60871%0.707SS**SBendtrans-101.1106.7-179.900000111.3D421 A425D421-G423 PolarHBondContact O-N 3.16Å; G423-A425 PolarHBondContact O-N 3.46Å
424F58.9Low64Low185 Ų185126.3 Ų126.381%0.81171%0.708SS**  trans20.187.4155.4-167.8-104.2000115.6G426F424-G426 PolarHBondContact O-N 3.22Å
425A61Low64.3Low61 Ų61128 Ų12850%0.50471%0.711SS.*  trans-72.967.2171.800000110.7G423 G427 E428G423-A425 PolarHBondContact O-N 3.46Å; A425-G427 PolarHBondContact O-N 3.23Å; A425-E428 PolarHBondContact O-N 3.38Å
426G62.3Low64.6Low66 Ų66128.1 Ų128.168%0.6871%0.711SS**THydrogen-bonded Turntrans5516.5160.400000118.7F424F424-G426 PolarHBondContact O-N 3.22Å
427G61.7Low64.9Low51 Ų51128.6 Ų128.653%0.52671%0.714SS.*THydrogen-bonded Turntrans76.423-175.500000114.9A425 D429A425-G427 PolarHBondContact O-N 3.23Å; G427-D429 PolarHBondContact O-N 3.37Å
428E58.8Low65.5Low136 Ų136127.9 Ų127.964%0.63671%0.706SS**  trans-78.295.6168.9-78.2-172.4165.500110.9A425 E430 T431A425-E428 PolarHBondContact O-N 3.38Å; E428-E430 PolarHBondContact O-N 3.48Å; E428-T431 PolarHBondContact O-N 3.39Å; E428-T431 VanDerWaalsContact O-N 3.14Å; E428-T431 PolarHBondContact O-OG1 3.32Å
429D62.7Low66Low157 Ų157129.4 Ų129.484%0.8471%0.713SS**THydrogen-bonded Turntrans-58.6-8177.8-70-18.7000114.5G427G427-D429 PolarHBondContact O-N 3.37Å
430E64.9Low66.6Low186 Ų186135.9 Ų135.987%0.86972%0.717SS**THydrogen-bonded Turntrans-86-14.9178.5-62.8-171171.900113.4E428 Y432E428-E430 PolarHBondContact O-N 3.48Å; E430-Y432 PolarHBondContact O-N 3.45Å
431T67Low66.9Low64 Ų64131.2 Ų131.239%0.39370%0.702SS.*  trans-85.789.8177.154.80000110.3E428 N433E428-T431 PolarHBondContact O-N 3.39Å; E428-T431 VanDerWaalsContact O-N 3.14Å; E428-T431 PolarHBondContact O-OG1 3.32Å; T431-N433 PolarHBondContact O-N 3.27Å
432Y66.6Low67.1Low212 Ų212125.6 Ų125.683%0.83168%0.683SS**  trans-7054.5-174.4-126.2-93.3000114.1E430E430-Y432 PolarHBondContact O-N 3.45Å
433N73.8Confident67Low136 Ų136131.9 Ų131.973%0.72769%0.691SS**  trans-9935.3-175.4-69.1-18.2000113T431 Y435T431-N433 PolarHBondContact O-N 3.27Å; N433-Y435 VanDerWaalsContact C-N 3.3Å; N433-Y435 PolarHBondContact O-N 2.89Å
434V73.8Confident67Low106 Ų106135.3 Ų135.364%0.64270%0.696SS**  trans-73-19.5-174-177.90000113.2
435Y73.4Confident66.9Low197 Ų197132 Ų13277%0.77368%0.684SS**  trans-129.1132.2-177-59.9-69000112.1N433 Q437N433-Y435 VanDerWaalsContact C-N 3.3Å; N433-Y435 PolarHBondContact O-N 2.89Å; Y435-Q437 VanDerWaalsContact C-N 3.28Å; Y435-Q437 PolarHBondContact O-N 3.43Å
436D71.4Confident66.8Low157 Ų157132.1 Ų132.184%0.8469%0.685SS**SBendtrans-75-13.7-179.7-64.6-26.8000114.2
437Q74.7Confident66.8Low138 Ų138132.8 Ų132.865%0.64568%0.68SS**SBendtrans-136.9136.8-173.8-69.2-91.4-34.100110.5Y435Y435-Q437 VanDerWaalsContact C-N 3.28Å; Y435-Q437 PolarHBondContact O-N 3.43Å
438P77Confident66.8Low99 Ų99135.6 Ų135.664%0.64368%0.683SS**  trans-68.9142.4173.728.7-33.2000111.1R440P438-R440 PolarHBondContact O-N 3.32Å
439F74.8Confident67.3Low197 Ų197135.1 Ų135.186%0.86468%0.683SS**SBendtrans-57.2-20.1-177.5-179.4-112.8000114.7
440R75.6Confident66.9Low203 Ų203137.2 Ų137.277%0.76668%0.681SS**  trans-135.2125.7170.7-65.2-173.1177.4-173.2-1.5110.2P438 G442P438-R440 PolarHBondContact O-N 3.32Å; R440-G442 PolarHBondContact O-N 3Å
441S67.4Low66.8Low83 Ų83137.7 Ų137.758%0.5868%0.675SS**  trans-72.626.5176.154.10000114.2R443 D444 M445S441-R443 PolarHBondContact O-N 2.85Å; S441-R443 VanDerWaalsContact O-N 3.07Å; S441-D444 PolarHBondContact O-N 3.44Å; S441-M445 PolarHBondContact O-N 3.42Å
442G62Low66.5Low46 Ų46139.4 Ų139.447%0.47469%0.687SS.*Hα-helixtrans-64.7-16.9-170.100000114.9R440 A446R440-G442 PolarHBondContact O-N 3Å; G442-A446 VanDerWaalsContact O-CB 3.32Å; G442-A446 WeakPolarHBondContact O-CB 3.22Å; G442-A446 PolarHBondContact O-N 2.96Å
443R61.3Low66.4Low230 Ų230133.6 Ų133.687%0.86867%0.673SS**Hα-helixtrans-81-35.5-179.8-157.7172.3-175.4173.9-0.3113.1S441S441-R443 PolarHBondContact O-N 2.85Å; S441-R443 VanDerWaalsContact O-N 3.07Å
444D57.7Low65.7Low131 Ų131135.5 Ų135.570%0.70168%0.675SS**Hα-helixtrans-80.6-29.5176.1-78.8-14.9000112.4S441 S447S441-D444 PolarHBondContact O-N 3.44Å; D444-S447 PolarHBondContact O-OG 3.24Å
445M57Low65Low115 Ų115135.1 Ų135.157%0.56768%0.677SS**Hα-helixtrans-72.8-30.6172.4-72.8-90.4-8300112S441 S447 N448 I449S441-M445 PolarHBondContact O-N 3.42Å; M445-S447 VanDerWaalsContact C-N 3.27Å; M445-S447 PolarHBondContact O-N 2.85Å; M445-N448 PolarHBondContact O-N 3.4Å; M445-I449 HydrophobicContact CB-CD1 4.16Å; M445-I449 WeakPolarHBondContact O-CD1 3.48Å; M445-I449 WeakPolarHBondContact O-CG1 3.23Å; M445-I449 PolarHBondContact O-N 3.31Å; M445-I449 VanDerWaalsContact O-N 3.09Å
446A58.8Low64.3Low64 Ų64130.7 Ų130.753%0.52967%0.671SS.*Hα-helixtrans-60.4-31.9-179.900000113.7G442 N448G442-A446 VanDerWaalsContact O-CB 3.32Å; G442-A446 WeakPolarHBondContact O-CB 3.22Å; G442-A446 PolarHBondContact O-N 2.96Å; A446-N448 VanDerWaalsContact C-N 3.26Å; A446-N448 PolarHBondContact O-N 3.16Å
447S61.2Low63.5Low80 Ų80128 Ų12856%0.55966%0.656SS**THydrogen-bonded Turntrans-73.2-12.7174.938.70000114.8D444 M445D444-S447 PolarHBondContact O-OG 3.24Å; M445-S447 VanDerWaalsContact C-N 3.27Å; M445-S447 PolarHBondContact O-N 2.85Å
448N62.1Low62.7Low111 Ų111129.3 Ų129.359%0.59466%0.66SS**THydrogen-bonded Turntrans-116.1-2.4-179.9-73-26.3000113.8M445 A446M445-N448 PolarHBondContact O-N 3.4Å; A446-N448 VanDerWaalsContact C-N 3.26Å; A446-N448 PolarHBondContact O-N 3.16Å
449I68.9Low61.8Low125 Ų125131.7 Ų131.764%0.64167%0.667SS**SBendtrans-76.6-21.3-179.6-75.5162.2000112.4M445M445-I449 HydrophobicContact CB-CD1 4.16Å; M445-I449 WeakPolarHBondContact O-CD1 3.48Å; M445-I449 WeakPolarHBondContact O-CG1 3.23Å; M445-I449 PolarHBondContact O-N 3.31Å; M445-I449 VanDerWaalsContact O-N 3.09Å
450Y55.2Low61.1Low202 Ų202125.5 Ų125.579%0.79265%0.652SS**  trans-143.1106.1170.7-154.1-102000111.8P452Y450-P452 HydrophobicContact CE1-CG 4.29Å
451R63.8Low60.3Low196 Ų196125.2 Ų125.274%0.7465%0.652SS**  trans-132.6108.3175-143.3176.4162.2148.6-4.4107.9T453R451-T453 PolarHBondContact O-N 2.84Å
452P59.6Low59.7Low100 Ų100124.6 Ų124.665%0.64965%0.653SS**  trans-64.7123.5-179.5-18.629.8000111.1Y450 K454Y450-P452 HydrophobicContact CE1-CG 4.29Å; P452-K454 VanDerWaalsContact C-N 3.28Å; P452-K454 PolarHBondContact O-N 3.13Å
453T64.6Low59.2Low89 Ų89130.1 Ų130.155%0.54667%0.671SS.*  trans-84.321.9-172.457.40000114.9R451 S455 V456R451-T453 PolarHBondContact O-N 2.84Å; T453-S455 PolarHBondContact O-N 2.95Å; T453-V456 PolarHBondContact O-N 2.87Å
454K59Low58.9Low177 Ų177125 Ų12577%0.7766%0.661SS**THydrogen-bonded Turntrans-69.6-8-169.9-143.1179.6-176.1-174.30115P452P452-K454 VanDerWaalsContact C-N 3.28Å; P452-K454 PolarHBondContact O-N 3.13Å
455S59.2Low58.9Low97 Ų97125.8 Ų125.868%0.67866%0.658SS**THydrogen-bonded Turntrans-106-4.6177.961.90000114.5T453T453-S455 PolarHBondContact O-N 2.95Å
456V59.3Low58.9Low105 Ų105125.4 Ų125.464%0.63666%0.659SS**THydrogen-bonded Turntrans-100.7-29.7179.3-172.80000111.1T453T453-V456 PolarHBondContact O-N 2.87Å
457D55Low58.9Low101 Ų101125.9 Ų125.954%0.5466%0.658SS.*THydrogen-bonded Turntrans-82.9-10.5-179.7-68.8-36000114.3
458K57.9Low58.7Low165 Ų165128.4 Ų128.472%0.71767%0.665SS**THydrogen-bonded Turntrans-77.4-23.2-175.9-130.4-178.9-176.7-173.60113.6
459D56.4Low58.6Low149 Ų149128.8 Ų128.880%0.79766%0.664SS**THydrogen-bonded Turntrans-92-9.2-179.3-62.4-26.5000112.6
460A61.2Low58.2Low66 Ų66132.4 Ų132.455%0.54567%0.67SS.*THydrogen-bonded Turntrans-96.6-18.4-174.100000115
461Y59.1Low58.2Low197 Ų197127.9 Ų127.977%0.77366%0.659SS**SBendtrans-141.427.1-170.6-74.4-78.6000115.2
462A53.7Low57.8Low71 Ų71126.2 Ų126.259%0.58767%0.665SS**  trans-80-14.9-170.300000116.6
463D52.2Low57.6Low161 Ų161131.5 Ų131.586%0.86167%0.672SS**SBendtrans-92.7-12.6-167.6-78.6-19.2000116
464D55.8Low56.7Low123 Ų123137.1 Ų137.166%0.65869%0.69SS**SBendtrans-109.6-10.4-169.3-151.623.1000114.9
465F57.8Low56.3Low147 Ų147133.2 Ų133.265%0.64569%0.69SS**Hα-helixtrans-88.6-33.5-175.8-160.9-100000113.5S467 M469F465-S467 VanDerWaalsContact C-N 3.33Å; F465-S467 PolarHBondContact O-N 3.16Å; F465-M469 HydrophobicContact CE1-CE 4.44Å; F465-M469 PolarHBondContact O-N 3.06Å
466D56.7Low56.3Low107 Ų107133.3 Ų133.357%0.57269%0.688SS**Hα-helixtrans-76-19.8-179-109.6-0.7000113.2
467S57.8Low56Low74 Ų74136.5 Ų136.552%0.51770%0.702SS.*Hα-helixtrans-80.1-33.6176-172.30000112.4F465 N471F465-S467 VanDerWaalsContact C-N 3.33Å; F465-S467 PolarHBondContact O-N 3.16Å; S467-N471 PolarHBondContact O-ND2 3.38Å
468L58Low55.9Low133 Ų133141.2 Ų141.270%0.69672%0.718SS**Hα-helixtrans-74.6-30.1177.7-111.678.7000113R470L468-R470 PolarHBondContact O-N 3.12Å
469M58.7Low55.7Low120 Ų120140.5 Ų140.559%0.59172%0.717SS**THydrogen-bonded Turntrans-76.5-17-178.6-117.4-170.4-172.500114.5F465F465-M469 HydrophobicContact CE1-CE 4.44Å; F465-M469 PolarHBondContact O-N 3.06Å
470R61.9Low55.4Low200 Ų200142 Ų14276%0.75572%0.716SS**THydrogen-bonded Turntrans-91.3-8.3-176.6-74-178.2179.5169.44.3114.6L468 N472L468-R470 PolarHBondContact O-N 3.12Å; R470-N472 PolarHBondContact O-N 3.23Å
471N55.6Low54.7Low107 Ų107144.3 Ų144.357%0.57273%0.728SS**  trans-98.678-179.8-72.3-45.7000111.6S467 R473S467-N471 PolarHBondContact O-ND2 3.38Å; N471-R473 PolarHBondContact O-N 3.06Å
472N54.9Low54.7Low161 Ų161138.7 Ų138.786%0.86173%0.731SS**  trans-69.391.4170.3-88.2-7.3000111.2R470R470-N472 PolarHBondContact O-N 3.23Å
473R55.4Low54.3Low212 Ų212138.2 Ų138.280%0.872%0.723SS**  trans-111.86.4175.7-74.4-168.1-167.6179.85.7115.9N471N471-R473 PolarHBondContact O-N 3.06Å
474F45Very low54.2Low207 Ų207138 Ų13891%0.90872%0.722SS**  trans-146.2106.7174.5-90.7-87.8000110.8
475A51.7Low53.7Low94 Ų94140.4 Ų140.478%0.77773%0.729SS**  trans-122.6119.3167.800000108.3
476P58.2Low53Low99 Ų99136.1 Ų136.164%0.64373%0.727SS**  trans-86.4132173.829.8-29.4000112.3K478P476-K478 PolarHBondContact O-N 2.9Å
477D52.4Low52.3Low173 Ų173139.8 Ų139.893%0.92574%0.74SS**SBendtrans-73.620.2-174.4-79.3-27.9000116.1
478K53.2Low51.8Low200 Ų200147.6 Ų147.687%0.8776%0.758SS**  trans-155.3101.7176.7-145.5153.7-175.9171.20113P476P476-K478 PolarHBondContact O-N 2.9Å
479E54.5Low51.3Low149 Ų149152.7 Ų152.770%0.69677%0.768SS**  trans-98.1145.4176.2-64-174.8178.600111.8
480F49Very low50.9Low181 Ų181155.9 Ų155.979%0.79478%0.782SS**  trans-82.2136.1-177.9-179.8-100.9000109.9G482F480-G482 PolarHBondContact O-N 2.91Å
481S47.8Very low51Low114 Ų114149.2 Ų149.280%0.79778%0.775SS**THydrogen-bonded Turntrans-63108.1-177.957.10000111.2
482G58.6Low51Low80 Ų80150.3 Ų150.383%0.82579%0.788SS**THydrogen-bonded Turntrans151.9-4.6175.300000116.5F480F480-G482 PolarHBondContact O-N 2.91Å
483S46Very low50.9Low61 Ų61148.2 Ų148.243%0.42778%0.781SS.*  trans-107.390.5-179.948.40000112.7
484D48.7Very low50.6Low157 Ų157147.2 Ų147.284%0.8479%0.786SS**  trans-84.2109.3164.1-166.310.1000109.3G486D484-G486 PolarHBondContact O-N 3.13Å
485H46Very low50.7Low172 Ų172146.5 Ų146.580%0.79678%0.782SS**  trans-92.586.9174.7-75.887.2000109.2
486G42.7Very low50.5Low58 Ų58151.2 Ų151.260%0.59879%0.788SS**  trans-155.69.6-170.500000120D484D484-G486 PolarHBondContact O-N 3.13Å
487Q43.2Very low49.9Very low184 Ų184155.3 Ų155.386%0.8680%0.799SS**  trans-147.4119.2163.1-80.3-161.1-18.500113.2R489Q487-R489 PolarHBondContact O-N 2.92Å
488R47.3Very low49.9Very low237 Ų237150.5 Ų150.589%0.89477%0.773SS**  trans-67.8117.2167-77.5179.6170.5-176.8-3.2109.2
489R47Very low50.3Low240 Ų240146.4 Ų146.491%0.90677%0.767SS**  trans-87.4106.1173.7-66.1179.5-179.5-175.9-0.7109.5Q487Q487-R489 PolarHBondContact O-N 2.92Å
490E49.4Very low50.5Low187 Ų187147.5 Ų147.587%0.87477%0.77SS**  trans-99.9102.6162.2-72.6-163153.700109
491G63.2Low51.3Low60 Ų60141 Ų14162%0.61975%0.754SS**SBendtrans170.5148.8176.300000110.1
492P57.5Low51.9Low130 Ų130140.1 Ų140.184%0.84474%0.74SS**PPolyproline II helixtrans-66.3142.317728.4-31.8000110.5Q494P492-Q494 PolarHBondContact O-N 3.33Å
493V52.9Low51.9Low117 Ų117142 Ų14271%0.70973%0.731SS**PPolyproline II helixtrans-56.4120-176177.30000111F495V493-F495 HydrophobicContact CG1-CE2 4.46Å; V493-F495 HydrophobicContact CG1-CZ 4.44Å
494Q48.8Very low52.6Low192 Ų192147.2 Ų147.290%0.89775%0.746SS**PPolyproline II helixtrans-84.7128.9163.7-75.4177.6-25.800108.6P492P492-Q494 PolarHBondContact O-N 3.33Å
495F45.8Very low53.2Low191 Ų191146.8 Ų146.884%0.83874%0.737SS**PPolyproline II helixtrans-86139.2168.2-68.2-85000109.1V493V493-F495 HydrophobicContact CG1-CE2 4.46Å; V493-F495 HydrophobicContact CG1-CZ 4.44Å
496E47.3Very low54Low194 Ų194144 Ų14491%0.90773%0.727SS**PPolyproline II helixtrans-65.7139.5168.9-77177.1155.100110.8
497E47.3Very low54.9Low184 Ų184148.1 Ų148.186%0.8673%0.731SS**  trans8.9110.7165.6-102.9172.8160.800119P499E497-P499 VanDerWaalsContact O-CD 3.24Å; E497-P499 WeakPolarHBondContact O-CD 3.11Å
498D52Low55.5Low72 Ų72146.8 Ų146.839%0.38573%0.725SS.*  trans-69.7110.9159.9173.723.9000110F500 G501 L502D498-F500 PolarHBondContact O-N 3.25Å; D498-F500 PolarHBondContact OD1-N 3.32Å; D498-G501 PolarHBondContact O-N 3.37Å; D498-G501 PolarHBondContact OD2-N 3.47Å; D498-L502 PolarHBondContact OD2-N 3.14Å
499P61Low55.9Low115 Ų115138.4 Ų138.475%0.74771%0.706SS**THydrogen-bonded Turntrans-69.4-5.4-175.7-16.231000114.3E497E497-P499 VanDerWaalsContact O-CD 3.24Å; E497-P499 WeakPolarHBondContact O-CD 3.11Å
500F58.2Low56.3Low172 Ų172135.9 Ų135.975%0.75470%0.702SS**THydrogen-bonded Turntrans-116.66.4-176.3-71.6-79.1000115D498 L502D498-F500 PolarHBondContact O-N 3.25Å; D498-F500 PolarHBondContact OD1-N 3.32Å; F500-L502 HydrophobicContact CB-CD1 4.24Å; F500-L502 HydrophobicContact CB-CG 4.35Å; F500-L502 PolarHBondContact O-N 3.43Å; F500-L502 VanDerWaalsContact O-N 3.11Å
501G66.4Low56.5Low45 Ų45135 Ų13546%0.46470%0.698SS.*  trans58.727.8167.900000115D498 D503D498-G501 PolarHBondContact O-N 3.37Å; D498-G501 PolarHBondContact OD2-N 3.47Å; G501-D503 VanDerWaalsContact C-N 3.29Å; G501-D503 PolarHBondContact O-N 3.02Å
502L60.3Low55.7Low95 Ų95140.8 Ų140.850%0.49771%0.708SS.*Hα-helixtrans-71.9-25.6-174.3-74.1162.1000112D498 F500 F505 L506D498-L502 PolarHBondContact OD2-N 3.14Å; F500-L502 HydrophobicContact CB-CD1 4.24Å; F500-L502 HydrophobicContact CB-CG 4.35Å; F500-L502 PolarHBondContact O-N 3.43Å; F500-L502 VanDerWaalsContact O-N 3.11Å; L502-F505 PolarHBondContact O-N 3.32Å; L502-L506 PolarHBondContact O-N 3.17Å
503D59.1Low54.9Low119 Ų119138.2 Ų138.264%0.63671%0.705SS**Hα-helixtrans-67.3-37.8178.7-81.2-13.1000113.2G501 F505 L506 E507G501-D503 VanDerWaalsContact C-N 3.29Å; G501-D503 PolarHBondContact O-N 3.02Å; D503-F505 VanDerWaalsContact C-N 3.31Å; D503-F505 PolarHBondContact O-N 3.15Å; D503-L506 PolarHBondContact O-N 3.18Å; D503-E507 WeakPolarHBondContact O-CB 3.38Å; D503-E507 PolarHBondContact O-N 2.88Å
504K61.3Low54.1Low171 Ų171136.5 Ų136.574%0.74371%0.712SS**Hα-helixtrans-69.6-29.6174.4-78.8-178.9179.3172.50112.5Q508K504-Q508 WeakPolarHBondContact O-CB 3.42Å; K504-Q508 PolarHBondContact O-N 3.08Å
505F61.2Low53.4Low148 Ų148133.1 Ų133.165%0.64971%0.709SS**Hα-helixtrans-73.4-38.9176.9-176.9-104.2000111.8L502 D503 A509L502-F505 PolarHBondContact O-N 3.32Å; D503-F505 VanDerWaalsContact C-N 3.31Å; D503-F505 PolarHBondContact O-N 3.15Å; F505-A509 WeakPolarHBondContact O-CB 3.31Å; F505-A509 PolarHBondContact O-N 2.63Å; F505-A509 VanDerWaalsContact O-N 3.14Å
506L62.9Low52.9Low112 Ų112133.7 Ų133.759%0.58671%0.711SS**Hα-helixtrans-70.9-33.6175.4-90.2152.4000113.1L502 D503 K510L502-L506 PolarHBondContact O-N 3.17Å; D503-L506 PolarHBondContact O-N 3.18Å; L506-K510 PolarHBondContact O-N 2.66Å
507E60.2Low52.5Low145 Ų145135.6 Ų135.668%0.67871%0.71SS**Hα-helixtrans-70.2-36.9176-134.7171-166.400112.2D503 K510D503-E507 WeakPolarHBondContact O-CB 3.38Å; D503-E507 PolarHBondContact O-N 2.88Å; E507-K510 PolarHBondContact O-N 2.89Å
508Q57Low52.1Low156 Ų156132.5 Ų132.573%0.72971%0.706SS**Hα-helixtrans-74.5-28.1177.2-155.4169.429.700112.9K504 K510K504-Q508 WeakPolarHBondContact O-CB 3.42Å; K504-Q508 PolarHBondContact O-N 3.08Å; Q508-K510 VanDerWaalsContact C-N 3.32Å
509A55.9Low51.1Low61 Ų61133.6 Ų133.650%0.50472%0.719SS.*Hα-helixtrans-74.8-18.5172.900000113.5F505F505-A509 WeakPolarHBondContact O-CB 3.31Å; F505-A509 PolarHBondContact O-N 2.63Å; F505-A509 VanDerWaalsContact O-N 3.14Å
510K54.9Low49.7Very low188 Ų188133.8 Ų133.882%0.81772%0.718SS**Hα-helixtrans-88.2-19.6-177.4-136.6173.4-176.9178.60114.2L506 E507 Q508L506-K510 PolarHBondContact O-N 2.66Å; E507-K510 PolarHBondContact O-N 2.89Å; Q508-K510 VanDerWaalsContact C-N 3.32Å
511Q54.2Low48.5Very low169 Ų169130.5 Ų130.579%0.7972%0.717SS**SBendtrans-84.6-11.9175.5-72.4-166.5-1.900114.2
512H46.6Very low46.7Very low180 Ų180134.9 Ų134.983%0.83373%0.73SS**SBendtrans-137.979.8174.7-79.4-75.6000111.5
513G40.8Very low45.3Very low76 Ų76141.3 Ų141.378%0.78475%0.747SS**  trans-171.658.817800000115.1
514G34.7Very low43.9Very low82 Ų82140.3 Ų140.385%0.84575%0.75SS**  trans-154.348.9-177.100000116.1
515S33.7Very low42.6Very low120 Ų120140.3 Ų140.384%0.83975%0.749SS**  trans-13395.2154.6169.90000108.8
516K36.3Very low41.2Very low204 Ų204139.2 Ų139.289%0.88775%0.751SS**  trans-68.1126.8172.5-82.3177.8174.2175.90110.3
517R39.2Very low40Very low233 Ų233141.5 Ų141.588%0.87976%0.763SS**  trans-64.8162.6151.7-89.5175154.1175.9-5.5111.1
518P38.8Very low38.8Very low119 Ų119144.5 Ų144.577%0.77377%0.77SS**  -119128.312317.50.5000110.1
519S30.7Very low37.9Very low95 Ų95144.7 Ų144.766%0.66477%0.77SS**  5989.494.5-177.90000112.3
520T32.1Very low37Very low119 Ų119147.5 Ų147.573%0.7378%0.777SS**  70.9122.482.5630000117.4
521S31.8Very low36.1Very low103 Ų103147.8 Ų147.872%0.7278%0.778SS**  trans74.8115.9153.872.20000119
522N29.3Very low35.6Very low138 Ų138149 Ų14974%0.73878%0.781SS**  179.1147.580.4-114.7-24.6000113.6
523R31.2Very low35.2Very low230 Ų230151.6 Ų151.687%0.86878%0.783SS**  trans68.2144.8155.7-69172.5176.8173.5-1.9117.3
524S30.4Very low35.4Very low98 Ų98158.9 Ų158.969%0.68579%0.787SS**  cis-178.2153.6-7.8177.80000105.9
525K32.2Very low36Very low170 Ų170164.1 Ų164.174%0.73979%0.787SS**  trans80.5117.9145.3-124.9161.4177.1175.30120.4
526D32.9Very low36.4Very low126 Ų126171 Ų17167%0.67481%0.805SS**  32.4124.2125.7-43.1-29.9000117.7
527D36.3Very low36.4Very low160 Ų160169.3 Ų169.386%0.85680%0.801SS**  -178157.190.5-117.1-34.3000114.6
528Y36.9Very low36.3Very low208 Ų208165.9 Ų165.982%0.81680%0.797SS**  trans-77.9175.1175.4-108.4-106.3000113
529H37.8Very low36.1Very low159 Ų159168.6 Ų168.674%0.73680%0.799SS**  trans94.4107.8166.8-70.2-75000117.4
530D35.9Very low36.4Very low121 Ų121172.9 Ų172.965%0.64781%0.806SS**  81.1107.970.2-169.824000112.5
531K37.2Very low36.7Very low194 Ų194176.3 Ų176.384%0.84381%0.811SS**  179.5132120.7-98.9166.6-175.6169.90114.6
532K42Very low37Very low193 Ų193181.1 Ų181.184%0.83982%0.817SS**  trans-47.1145.8154.4-73.8167.7168.2167.90114.1
533R39.1Very low37.6Very low235 Ų235184.2 Ų184.289%0.88782%0.823SS**  162.4120.5116-94.5177.2157.7177.2-6.4107.2
534R45.7Very low38.1Very low230 Ų230180.7 Ų180.787%0.86882%0.82SS**  79.8122.461.3-149.3-172-165.1-178.65.3113.3
535K47.2Very low38.7Very low191 Ų191187.6 Ų187.683%0.8383%0.831SS**  trans76.1139.7168.2-78.8-176.8168.5-169.70115.5
536E41.3Very low39.3Very low264 Ų264189.2 Ų189.2100%1.23484%0.839SS**  cis-106022-76.9169.9147.800116.6

Retrieved 536 of 536 residues in 164.3 ms (Link to these results)