A0A087YSF0_POEFO Loading...

Protein sprouty homolog 1

AlphaFold DB , UniProt , Accession A0A087YSF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 358 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
1M38.7Very low37.7Very low251 Ų251141.5 Ų141.5100%1.23682%0.823SS**  0110.60-74.3171.6-178.300106.6
2E38.7Very low37.3Very low164 Ų164139.5 Ų139.577%0.76682%0.823SS**  trans-70.5156172.1-83-175.386.200112.3
3L36.8Very low37.1Very low160 Ų160139.8 Ų139.884%0.83882%0.817SS**  180102.8129.3-95.1160.9000105.9
4Q39.2Very low36.9Very low156 Ų156138.4 Ų138.473%0.72981%0.811SS**  56.3122.577.7-145.3152.324.500111.5
5S32.4Very low36.8Very low103 Ų103137.7 Ų137.772%0.7281%0.808SS**  -168158.654.6-177.50000113
6Q46.3Very low37Very low170 Ų170137.9 Ų137.979%0.79480%0.803SS**  trans-57.7160.2170.5-63.6-152.262.300114.6
7H33.7Very low37Very low181 Ų181139.5 Ų139.584%0.83880%0.801SS**  176.9121.6119.6-101.5-87.4000111.8
8G36.3Very low36.8Very low58 Ų58141.3 Ų141.360%0.59880%0.801SS**  trans-82.6-175.4149.400000110
9P47.8Very low36.9Very low128 Ų128139.3 Ų139.383%0.83179%0.794SS**  cis-149.1-173.832.839.5-16.5000116.6
10A32.8Very low37.2Very low105 Ų105137.1 Ų137.187%0.86879%0.788SS**  trans73.9113.7147.500000120.6
11G31.4Very low37.6Very low81 Ų81137.2 Ų137.284%0.83579%0.785SS**  trans-165.4103.9167.700000111.7
12S33.4Very low37.7Very low117 Ų117131.9 Ų131.982%0.81876%0.762SS**  trans-61.9128.6-173.3179.90000116
13L34.6Very low37.8Very low144 Ų144129.1 Ų129.175%0.75476%0.756SS**  27.8107.7126.5-144.7153.1000118.3
14V34.8Very low38Very low120 Ų120131.4 Ų131.473%0.72775%0.754SS**  trans-146.795132.9-1720000108.3I16V14-I16 HydrophobicContact CG1-CD1 4.36Å; V14-I16 HydrophobicContact CG1-CG1 3.69Å
15V35.3Very low38.1Very low127 Ų127129.7 Ų129.777%0.7775%0.746SS**  trans-87.1102.5161.51700000106.3Q17V15-Q17 PolarHBondContact O-N 3.23Å
16I39.3Very low38.4Very low141 Ų141134.1 Ų134.172%0.72375%0.747SS**  trans-78102.8163.5-58.4-175.2000106.4V14 Q18V14-I16 HydrophobicContact CG1-CD1 4.36Å; V14-I16 HydrophobicContact CG1-CG1 3.69Å; I16-Q18 PolarHBondContact O-N 2.85Å; I16-Q18 VanDerWaalsContact O-N 3.11Å
17Q38Very low38.3Very low166 Ų166129.1 Ų129.178%0.77673%0.73SS**  trans-57.3106.1166-174.4103.133.800109V15V15-Q17 PolarHBondContact O-N 3.23Å
18Q33.6Very low38.6Very low172 Ų172125.1 Ų125.180%0.80472%0.715SS**  trans-87.9131.2159-80.2-159.5-16.200109.1I16 S20I16-Q18 PolarHBondContact O-N 2.85Å; I16-Q18 VanDerWaalsContact O-N 3.11Å; Q18-S20 PolarHBondContact O-N 3.09Å
19P37.3Very low38.9Very low102 Ų102128.3 Ų128.366%0.66271%0.71SS**  trans-71.5124.6179.627.6-30.8000110.4L21P19-L21 PolarHBondContact O-N 3.11Å; P19-L21 VanDerWaalsContact O-N 3.07Å
20S43.9Very low38.7Very low95 Ų95128.1 Ų128.166%0.66470%0.698SS**  trans-63.2103.4164.6174.20000109Q18Q18-S20 PolarHBondContact O-N 3.09Å
21L44.3Very low39.2Very low141 Ų141131.3 Ų131.374%0.73869%0.688SS**  trans-113.77.2171.2-82176.1000113.3P19P19-L21 PolarHBondContact O-N 3.11Å; P19-L21 VanDerWaalsContact O-N 3.07Å
22D41.6Very low39.7Very low138 Ų138135.4 Ų135.474%0.73869%0.685SS**SBendtrans-101.1-15.2-173.5-124.8-88.6000114.3
23T41.9Very low40.2Very low107 Ų107137 Ų13766%0.65668%0.683SS**Hα-helixtrans-80-26.4-175.6-50.20000113.5
24R40.5Very low40.6Very low208 Ų208136.6 Ų136.679%0.78568%0.678SS**Hα-helixtrans-82.7-29.5-172.9-164.3173.2177.6168.7-0.4113.4S27R24-S27 PolarHBondContact O-OG 2.94Å
25Q39.8Very low40.9Very low119 Ų119138.2 Ų138.256%0.55668%0.677SS**Hα-helixtrans-76.5-32.7-176.7-144.2-174.7-2600110.3S27 D28 Y29Q25-S27 VanDerWaalsContact C-N 3.31Å; Q25-S27 PolarHBondContact O-N 3.25Å; Q25-D28 PolarHBondContact O-N 3.44Å; Q25-Y29 HydrophobicContact CB-CE1 4.28Å; Q25-Y29 WeakPolarHBondContact CB-OH 3.25Å; Q25-Y29 VanDerWaalsContact CD-OH 3.25Å; Q25-Y29 HydrophobicContact CG-CE1 3.7Å; Q25-Y29 WeakPolarHBondContact CG-OH 3.43Å; Q25-Y29 WeakPolarHBondContact O-CD1 3.23Å; Q25-Y29 VanDerWaalsContact O-CD2 3.24Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.5Å; Q25-Y29 WeakPolarHBondContact O-CE1 3.31Å; Q25-Y29 WeakPolarHBondContact O-CE2 3.43Å
26R40.8Very low41.6Very low197 Ų197135.9 Ų135.974%0.74367%0.671SS**Hα-helixtrans-58.6-32176.3-157.6169.9178.4151-2.1115.8Y29R26-Y29 VanDerWaalsContact CA-CD2 3.47Å; R26-Y29 HydrophobicContact CB-CE2 4.16Å; R26-Y29 HydrophobicContact CG-CE2 4.42Å; R26-Y29 WeakPolarHBondContact O-CD2 3.35Å
27S43.4Very low42.1Very low64 Ų64133.3 Ų133.345%0.44867%0.671SS.*Hα-helixtrans-79.6-25-178.945.60000114.4R24 Q25 R31R24-S27 PolarHBondContact O-OG 2.94Å; Q25-S27 VanDerWaalsContact C-N 3.31Å; Q25-S27 PolarHBondContact O-N 3.25Å; S27-R31 PolarHBondContact O-N 3.11Å
28D39.7Very low42.7Very low97 Ų97133.6 Ų133.652%0.51968%0.676SS.*Hα-helixtrans-78-36-178.5-84.3-53000111.7Q25 E30 R31 E32Q25-D28 PolarHBondContact O-N 3.44Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 2.89Å; D28-R31 PolarHBondContact O-N 2.86Å; D28-E32 PolarHBondContact O-N 3.07Å
29Y42.7Very low44Very low125 Ų125129 Ų12949%0.4966%0.657SS.*Hα-helixtrans-68.3-30.2176.4-16.7-70.4000113.2Q25 R26 L33Q25-Y29 HydrophobicContact CB-CE1 4.28Å; Q25-Y29 WeakPolarHBondContact CB-OH 3.25Å; Q25-Y29 VanDerWaalsContact CD-OH 3.25Å; Q25-Y29 HydrophobicContact CG-CE1 3.7Å; Q25-Y29 WeakPolarHBondContact CG-OH 3.43Å; Q25-Y29 WeakPolarHBondContact O-CD1 3.23Å; Q25-Y29 VanDerWaalsContact O-CD2 3.24Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.5Å; Q25-Y29 WeakPolarHBondContact O-CE1 3.31Å; Q25-Y29 WeakPolarHBondContact O-CE2 3.43Å; R26-Y29 VanDerWaalsContact CA-CD2 3.47Å; R26-Y29 HydrophobicContact CB-CE2 4.16Å; R26-Y29 HydrophobicContact CG-CE2 4.42Å; R26-Y29 WeakPolarHBondContact O-CD2 3.35Å; Y29-L33 PolarHBondContact O-N 3.07Å
30E43.4Very low45.1Very low124 Ų124127.3 Ų127.358%0.57965%0.647SS**Hα-helixtrans-74.5-32.5179.5-157.3-170.7131.800111.6D28 Q34D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 2.89Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å
31R44.4Very low45.8Very low173 Ų173129.6 Ų129.665%0.65365%0.651SS**Hα-helixtrans-76.4-28.5179-170.6174-69.8-155.1-1.5113S27 D28 H35S27-R31 PolarHBondContact O-N 3.11Å; D28-R31 PolarHBondContact O-N 2.86Å; R31-H35 PolarHBondContact O-ND1 3.39Å
32E40.6Very low46.4Very low166 Ų166130.6 Ų130.678%0.77665%0.652SS**Hα-helixtrans-80-24.8178.2-153.9153.2161.500112.7D28 Q34D28-E32 PolarHBondContact O-N 3.07Å; E32-Q34 VanDerWaalsContact C-N 3.33Å
33L45.1Very low47.1Very low151 Ų151128.4 Ų128.479%0.79164%0.637SS**Hα-helixtrans-75-21.5172.8-149.183.5000113.2Y29 H35Y29-L33 PolarHBondContact O-N 3.07Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 2.89Å
34Q42.6Very low48.1Very low136 Ų136127.4 Ų127.464%0.63663%0.627SS**THydrogen-bonded Turntrans-79.3-6.9-176.9-76.8177.5-1.300114.5E30 E32E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E32-Q34 VanDerWaalsContact C-N 3.33Å
35H41.8Very low49.1Very low153 Ų153124.8 Ų124.871%0.70862%0.621SS**THydrogen-bonded Turntrans-109.613.7-177.5-68.1103.8000115.2R31 L33 A37R31-H35 PolarHBondContact O-ND1 3.39Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 2.89Å; H35-A37 VanDerWaalsContact C-N 3.3Å; H35-A37 PolarHBondContact O-N 3.2Å
36A48Very low49.9Very low79 Ų79121.8 Ų121.865%0.65362%0.617SS**  trans-75.786.8164.600000109.1I38A36-I38 PolarHBondContact O-N 3.21Å
37A50.8Low50.8Low87 Ų87117.6 Ų117.672%0.71961%0.608SS**  trans-52.6113.8174.800000110.1H35 L39H35-A37 VanDerWaalsContact C-N 3.3Å; H35-A37 PolarHBondContact O-N 3.2Å; A37-L39 PolarHBondContact O-N 2.83Å
38I51.4Low51.3Low172 Ų172124.1 Ų124.188%0.88262%0.623SS**  trans-70.2101.6178.1-58.1172.5000107.3A36A36-I38 PolarHBondContact O-N 3.21Å
39L61.1Low51.7Low76 Ų76124.1 Ų124.140%0.39863%0.631SS.*  trans-68.5141.6175.2-67.2166.8000110A37 Q43 I44 I47A37-L39 PolarHBondContact O-N 2.83Å; L39-Q43 HydrophobicContact CB-CB 3.95Å; L39-Q43 HydrophobicContact CD2-CB 4.3Å; L39-Q43 HydrophobicContact CD2-CG 4.39Å; L39-Q43 VanDerWaalsContact CD2-NE2 3.33Å; L39-I44 HydrophobicContact CB-CG1 4.47Å; L39-I47 HydrophobicContact CD1-CD1 4.01Å
40S60.3Low51.9Low66 Ų66122.4 Ų122.446%0.46264%0.637SS.*  trans-66.7158.1178.772.40000111.3E42 Q43 I44S40-E42 PolarHBondContact O-N 2.99Å; S40-Q43 WeakPolarHBondContact O-CB 3.3Å; S40-Q43 PolarHBondContact O-N 2.81Å; S40-I44 PolarHBondContact O-N 3.45Å
41L57.4Low52.2Low142 Ų142122.4 Ų122.474%0.74364%0.641SS**Hα-helixtrans-59.3-22.9-176.5-137.7140.2000113K45L41-K45 PolarHBondContact O-N 3.15Å
42E57.6Low52.6Low162 Ų162121.7 Ų121.776%0.75765%0.645SS**Hα-helixtrans-74.5-38.5172.1-69.9-132.7123.200113.2S40 I44 K45 A46S40-E42 PolarHBondContact O-N 2.99Å; E42-I44 VanDerWaalsContact C-N 3.32Å; E42-I44 PolarHBondContact O-N 3.28Å; E42-K45 PolarHBondContact O-N 3.27Å; E42-A46 PolarHBondContact O-N 3.47Å
43Q56.3Low53Low92 Ų92124.2 Ų124.243%0.4365%0.649SS.*Hα-helixtrans-66.6-35.5175.1-80.3174.7-56.600111.8L39 S40 K45 A46 I47L39-Q43 HydrophobicContact CB-CB 3.95Å; L39-Q43 HydrophobicContact CD2-CB 4.3Å; L39-Q43 HydrophobicContact CD2-CG 4.39Å; L39-Q43 VanDerWaalsContact CD2-NE2 3.33Å; S40-Q43 WeakPolarHBondContact O-CB 3.3Å; S40-Q43 PolarHBondContact O-N 2.81Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 2.92Å; Q43-A46 PolarHBondContact O-N 3.26Å; Q43-I47 WeakPolarHBondContact O-CD1 3.29Å; Q43-I47 VanDerWaalsContact O-CG1 3.24Å; Q43-I47 WeakPolarHBondContact O-CG1 2.95Å; Q43-I47 PolarHBondContact O-N 3.41Å; Q43-I47 VanDerWaalsContact O-N 3.08Å
44I63.4Low53Low86 Ų86123.8 Ų123.844%0.44165%0.653SS.*Hα-helixtrans-67.3-32.8175.8-59.5169.8000111.1L39 S40 E42 R48L39-I44 HydrophobicContact CB-CG1 4.47Å; S40-I44 PolarHBondContact O-N 3.45Å; E42-I44 VanDerWaalsContact C-N 3.32Å; E42-I44 PolarHBondContact O-N 3.28Å; I44-R48 PolarHBondContact O-N 3.4Å
45K60.1Low53.3Low153 Ų153125 Ų12567%0.66566%0.659SS**Hα-helixtrans-71.2-41.5173.3-100.1-178.6175.5179.30112.5L41 E42 Q43 R48 S49L41-K45 PolarHBondContact O-N 3.15Å; E42-K45 PolarHBondContact O-N 3.27Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 2.92Å; K45-R48 PolarHBondContact O-N 3.4Å; K45-S49 PolarHBondContact O-N 3.49Å; K45-S49 PolarHBondContact O-OG 3.28Å
46A58.1Low53.2Low57 Ų57120.3 Ų120.347%0.47165%0.651SS.*Hα-helixtrans-63.8-40.9178.300000112.4E42 Q43 R48 S49E42-A46 PolarHBondContact O-N 3.47Å; Q43-A46 PolarHBondContact O-N 3.26Å; A46-R48 VanDerWaalsContact C-N 3.34Å; A46-R48 PolarHBondContact O-N 3.06Å; A46-S49 WeakPolarHBondContact CA-OG 3.31Å; A46-S49 PolarHBondContact O-N 3.42Å; A46-S49 PolarHBondContact O-OG 3.45Å
47I57.9Low53Low108 Ų108123.2 Ų123.255%0.55466%0.664SS**Hα-helixtrans-70.2-29.1179.1-62.8163.8000111.9L39 Q43 S50L39-I47 HydrophobicContact CD1-CD1 4.01Å; Q43-I47 WeakPolarHBondContact O-CD1 3.29Å; Q43-I47 VanDerWaalsContact O-CG1 3.24Å; Q43-I47 WeakPolarHBondContact O-CG1 2.95Å; Q43-I47 PolarHBondContact O-N 3.41Å; Q43-I47 VanDerWaalsContact O-N 3.08Å; I47-S50 PolarHBondContact O-OG 3.16Å
48R55.7Low52.4Low201 Ų201124 Ų12476%0.75866%0.664SS**Hα-helixtrans-84.9-13.5173.4-85.3-172.6170.7171.2-1.6114.4I44 K45 A46I44-R48 PolarHBondContact O-N 3.4Å; K45-R48 PolarHBondContact O-N 3.4Å; A46-R48 VanDerWaalsContact C-N 3.34Å; A46-R48 PolarHBondContact O-N 3.06Å
49S46.3Very low51.8Low97 Ų97122.4 Ų122.468%0.67866%0.662SS**Hα-helixtrans-84.7-15176.259.80000113.8K45 A46 N51K45-S49 PolarHBondContact O-N 3.49Å; K45-S49 PolarHBondContact O-OG 3.28Å; A46-S49 WeakPolarHBondContact CA-OG 3.31Å; A46-S49 PolarHBondContact O-N 3.42Å; A46-S49 PolarHBondContact O-OG 3.45Å; S49-N51 VanDerWaalsContact C-N 3.3Å; S49-N51 PolarHBondContact O-N 3.1Å
50S46.8Very low50.6Low89 Ų89123.7 Ų123.762%0.62268%0.683SS**  trans-92.158.4173.168.30000111.3I47 E52I47-S50 PolarHBondContact O-OG 3.16Å; S50-E52 PolarHBondContact O-N 3.34Å
51N51.1Low49.7Very low125 Ų125132.4 Ų132.467%0.66871%0.706SS**  trans-9375.1165.4-75.611000108.4S49 Y53S49-N51 VanDerWaalsContact C-N 3.3Å; S49-N51 PolarHBondContact O-N 3.1Å; N51-Y53 PolarHBondContact O-N 3.03Å
52E53.3Low48.7Very low157 Ų157137 Ų13773%0.73471%0.714SS**  trans-80.771166.1-167.4163.495.100108.7S50 E55S50-E52 PolarHBondContact O-N 3.34Å; E52-E55 HydrophobicContact CG-CG 4.45Å
53Y47.5Very low47.9Very low219 Ų219135 Ų13586%0.85971%0.714SS**  trans-127.970.6176.5-96.6-89000109.6N51N51-Y53 PolarHBondContact O-N 3.03Å
54T46.6Very low47.1Very low142 Ų142136.8 Ų136.887%0.87173%0.734SS**  trans-1537.2158.68.50000116.5G56T54-G56 PolarHBondContact O-N 2.65Å
55E47.1Very low45.9Very low162 Ų162137.1 Ų137.176%0.75775%0.75SS**  trans-103.982.3-179.934.3-161.6110.400112.8E52E52-E55 HydrophobicContact CG-CG 4.45Å
56G41.4Very low45Very low54 Ų54135.8 Ų135.856%0.55776%0.757SS**  trans-75.4153156.400000110.6T54 S58T54-G56 PolarHBondContact O-N 2.65Å; G56-S58 PolarHBondContact O-N 3.37Å
57P42.8Very low43.9Very low140 Ų140144.6 Ų144.691%0.90978%0.778SS**  trans-76.4113.3-16231.4-32.7000110.7
58S39.4Very low42.8Very low104 Ų104146.1 Ų146.173%0.72779%0.792SS**  trans-133.2100.4170.261.80000111.8G56G56-S58 PolarHBondContact O-N 3.37Å
59V37.2Very low41.9Very low138 Ų138140.5 Ų140.584%0.83679%0.788SS**  trans38.1115.5143.5-159.60000117.8R61V59-R61 PolarHBondContact O-N 3.24Å
60A36.3Very low41.4Very low103 Ų103142.2 Ų142.285%0.85180%0.797SS**  trans-41.5124.4174.500000114.5
61R41.1Very low40.7Very low249 Ų249149.3 Ų149.394%0.9481%0.81SS**PPolyproline II helixtrans-101.1135.5163-72.2-160.2175-153.11.4110.6V59V59-R61 PolarHBondContact O-N 3.24Å
62R37.3Very low40.3Very low240 Ų240148.7 Ų148.791%0.90681%0.813SS**PPolyproline II helixtrans-57.6153.1-176.8-95.2-179.4-178.11310.5113.9
63P40.8Very low39.3Very low118 Ų118150.6 Ų150.677%0.76682%0.822SS**PPolyproline II helixtrans-72.8152.2178.7-8.724.8000113.4
64P39.2Very low38.5Very low130 Ų130146.9 Ų146.984%0.84482%0.817SS**PPolyproline II helixtrans-81.3142.4172.931.6-30.8000112.4
65A37.9Very low37.6Very low94 Ų94148.7 Ų148.778%0.77781%0.813SS**PPolyproline II helixtrans-89.7155.3171.800000111.6
66P40.4Very low37Very low124 Ų124147.8 Ų147.881%0.80581%0.809SS**PPolyproline II helixtrans-91.8146.7-154.334.9-33000113.8
67R36.3Very low36.5Very low242 Ų242153.6 Ų153.691%0.91382%0.821SS**  trans-139.1103.5163.1-69.7-167.6-178.6178.21.5112.3
68V34.1Very low35.9Very low141 Ų141157.4 Ų157.486%0.85582%0.818SS**  trans40.3120133.4-175.40000119.6
69A37.8Very low35.7Very low82 Ų82157.5 Ų157.568%0.67881%0.814SS**  trans-75.1161.6166.600000113.5
70P34.4Very low35.4Very low133 Ų133158.9 Ų158.986%0.86481%0.811SS**  -127.1149.4119.30.820.7000114.7
71R33.1Very low35.2Very low238 Ų238162.9 Ų162.990%0.89881%0.812SS**  trans-82-163.2179.6-63.6177.6149.9171.9-4.3113.1
72P41.6Very low35Very low113 Ų113157.4 Ų157.473%0.73481%0.806SS**  -122.2168.8-87.937.7-19.5000112.2
73Q32.5Very low35Very low196 Ų196152.8 Ų152.892%0.91680%0.798SS**  trans-146.4116.2157.8-122.9172.86.200112.5
74D30.3Very low34.8Very low141 Ų141155.1 Ų155.175%0.75480%0.803SS**  trans-35.3137.3161.4-82.8-85.1000114.9
75K29Very low34.6Very low180 Ų180154.4 Ų154.478%0.78380%0.796SS**  165.6136.888.8-123.9163.2-173.8-163.30112.9
76Q33.2Very low34.5Very low144 Ų144156.7 Ų156.767%0.67380%0.795SS**  trans80.389.2143.4-146.189.230.200120.1
77E32.6Very low34.2Very low176 Ų176155.9 Ų155.982%0.82279%0.788SS**  trans-53.4128.7143.7-177.7-177.7117.400110.9
78R30.2Very low34Very low219 Ų219150 Ų15083%0.82677%0.774SS**  trans-149.2121.7158.1-143.9-176.2-175.5103.4-0.1111.9
79T34Very low34Very low107 Ų107150 Ų15066%0.65677%0.77SS**  trans-81149.3179.316.40000112.4
80H31.5Very low33.7Very low167 Ų167151.6 Ų151.677%0.77377%0.767SS**  trans67.8118.7159.2-78.5-114.4000120.1
81E31.9Very low33.6Very low187 Ų187155 Ų15587%0.87476%0.764SS**  -166.7130.8121.642.2-151.2150.700113.4
82V37.8Very low33.6Very low134 Ų134152.3 Ų152.381%0.81276%0.761SS**  trans-76.9116.4177.5170.20000108.5L84V82-L84 PolarHBondContact O-N 3.38Å
83I36.3Very low33.1Very low143 Ų143157.5 Ų157.573%0.73377%0.766SS**  trans-80.6107.6173.7-58.5173.2000108.7V85I83-V85 HydrophobicContact CG2-CG2 3.86Å; I83-V85 PolarHBondContact O-N 3.12Å; I83-V85 VanDerWaalsContact O-N 3.1Å
84L36Very low33.1Very low167 Ų167156.4 Ų156.487%0.87476%0.761SS**  trans-66.797.5160.2-84.7153.4000108.4V82 N86V82-L84 PolarHBondContact O-N 3.38Å; L84-N86 PolarHBondContact O-N 2.8Å
85V35.8Very low33.5Very low115 Ų115155.1 Ų155.170%0.69776%0.76SS**  trans-77.593.4173.2-172.30000108.9I83 V87I83-V85 HydrophobicContact CG2-CG2 3.86Å; I83-V85 PolarHBondContact O-N 3.12Å; I83-V85 VanDerWaalsContact O-N 3.1Å; V85-V87 HydrophobicContact CG1-CG2 3.5Å; V85-V87 VanDerWaalsContact CG1-CG2 3.5Å; V85-V87 PolarHBondContact O-N 3.48Å
86N35.6Very low33.7Very low142 Ų142152 Ų15276%0.75976%0.761SS**  trans-79.694.1163.6-176.439.5000109L84 N88L84-N86 PolarHBondContact O-N 2.8Å; N86-N88 VanDerWaalsContact C-N 3.3Å; N86-N88 PolarHBondContact O-N 2.96Å; N86-N88 VanDerWaalsContact O-N 3.1Å
87V34.7Very low33.6Very low107 Ų107148.8 Ų148.865%0.64877%0.767SS**  trans-83.580.4170.6-168.70000109.1V85 N89V85-V87 HydrophobicContact CG1-CG2 3.5Å; V85-V87 VanDerWaalsContact CG1-CG2 3.5Å; V85-V87 PolarHBondContact O-N 3.48Å; V87-N89 PolarHBondContact O-N 3.37Å
88N31.9Very low33.7Very low118 Ų118149.6 Ų149.663%0.63177%0.77SS**  trans-76.7100.4165.7-179.144000109N86 N90N86-N88 VanDerWaalsContact C-N 3.3Å; N86-N88 PolarHBondContact O-N 2.96Å; N86-N88 VanDerWaalsContact O-N 3.1Å; N88-N90 PolarHBondContact O-N 2.08Å
89N33.1Very low33.9Very low141 Ų141147.3 Ų147.375%0.75477%0.769SS**  trans-91.193.2167.8-98.1-43.1000108.8V87V87-N89 PolarHBondContact O-N 3.37Å
90N32.2Very low33.9Very low115 Ų115149.8 Ų149.862%0.61577%0.772SS**  trans-100.2110.4166.8-174.36.1000109.1N88 E92N88-N90 PolarHBondContact O-N 2.08Å; N90-E92 PolarHBondContact OD1-N 3.47Å
91Y32.6Very low33.9Very low205 Ų205150.1 Ų150.180%0.80477%0.774SS**  trans-13988.9155.6-95-79000107.6
92E33Very low33.8Very low181 Ų181144.9 Ų144.985%0.84677%0.77SS**  trans-111.5121.9148.7-75.4-148.588.600109.3N90 Q94N90-E92 PolarHBondContact OD1-N 3.47Å; E92-Q94 PolarHBondContact O-N 3.4Å
93R31.7Very low33.4Very low222 Ų222142.5 Ų142.584%0.83877%0.773SS**  trans-79.2111163.9-67.5-167.8-150.8-92.82.7107.6
94Q32.4Very low33.1Very low173 Ų173139.5 Ų139.581%0.80878%0.777SS**PPolyproline II helixtrans-63138.4161.9-163.191.336.100110.1E92E92-Q94 PolarHBondContact O-N 3.4Å
95P38.6Very low32.8Very low114 Ų114135.2 Ų135.274%0.7477%0.773SS**PPolyproline II helixtrans-101.7131.6145.88.110.8000109.7
96S32.7Very low32.8Very low115 Ų115136.2 Ų136.280%0.80478%0.779SS**PPolyproline II helixtrans-62.5131.3176.2-52.10000111.8
97G31.2Very low32.7Very low76 Ų76135.3 Ų135.378%0.78478%0.778SS**  trans-115.9116.9164.300000109.7
98H34.9Very low32.7Very low194 Ų194136.1 Ų136.190%0.89878%0.783SS**  trans-104.4139.6165.6-93.1-78.5000109.6
99H34.7Very low32.8Very low171 Ų171136.8 Ų136.879%0.79279%0.792SS**  trans-66.6146.3177.6-75.5-66.2000114.2
100H32.7Very low32.8Very low158 Ų158134.3 Ų134.373%0.73179%0.79SS**  167.6141.6107.8-90.3-70.6000114.4
101H32.6Very low32.8Very low174 Ų174134.6 Ų134.681%0.80680%0.801SS**  trans36.6128150.2-68.1-72.7000124.2
102G30.2Very low32.8Very low78 Ų78128.3 Ų128.380%0.80480%0.799SS**  111115.5110.900000118.7
103G29.1Very low33.4Very low83 Ų83125.2 Ų125.286%0.85680%0.795SS**  trans101.5108136.800000119
104G30.5Very low33.4Very low81 Ų81122 Ų12284%0.83579%0.789SS**  92.5108.8119.200000119.5
105G29.8Very low33.2Very low76 Ų76124.2 Ų124.278%0.78479%0.792SS**  trans67.8160.314200000116.9
106V35.7Very low32.8Very low136 Ų136122.2 Ų122.282%0.82479%0.792SS**  cis-156.7144.64.1-171.20000105.2
107V31.7Very low32.9Very low123 Ų123120.3 Ų120.375%0.74579%0.79SS**  trans-36.5149.3157.9-70.90000113.2
108V35.5Very low33.6Very low124 Ų124122.2 Ų122.275%0.75279%0.789SS**  173.9146.175.9165.10000108.5
109V34.4Very low33.5Very low133 Ų133124.6 Ų124.681%0.80679%0.79SS**  trans-30.4151.6168-78.10000121.4
110A31.9Very low33.9Very low88 Ų88121 Ų12173%0.72779%0.79SS**  trans-172.6102.4130.200000108.9
111S32.5Very low34.3Very low121 Ų121119.6 Ų119.685%0.84680%0.795SS**  63.6116.593.867.30000116
112G32.5Very low34.1Very low73 Ų73114.8 Ų114.875%0.75379%0.792SS**  trans130.6148144.400000116.6
113P46.4Very low34.3Very low116 Ų116119.8 Ų119.875%0.75380%0.8SS**  trans-121.9-176.3-141.727.3-4.6000114
114Q30.7Very low34.4Very low154 Ų154121.6 Ų121.672%0.7280%0.799SS**  trans109.3120.6144.7-58-142.137.800120.1
115Y29.7Very low34.4Very low220 Ų220128.9 Ų128.986%0.86380%0.801SS**  trans75127137.2-84.7-108.5000122.1
116G30.4Very low34.5Very low73 Ų73131.3 Ų131.375%0.75381%0.806SS**  trans117.7110.2147.500000115.7
117G34.4Very low34.4Very low74 Ų74130.9 Ų130.976%0.76380%0.804SS**  trans-65.8-172.5154.300000111.2
118P45Very low34.4Very low117 Ų117130.9 Ų130.976%0.7681%0.809SS**  cis-144.2-178.220.441.2-20.4000116.2
119R33.7Very low34.5Very low244 Ų244131.8 Ų131.892%0.92182%0.816SS**  trans67.3139.1148.6-79.6-179-178.8157.42122
120A43.1Very low34.3Very low95 Ų95128.6 Ų128.679%0.78581%0.809SS**  trans-75.9158.3176.100000114.4
121P40.5Very low34.6Very low128 Ų128130.6 Ų130.683%0.83182%0.818SS**  trans-109141.2150.610.311.1000109.8
122G28.8Very low34.8Very low73 Ų73129 Ų12975%0.75381%0.813SS**  cis104.190.842.200000108.3
123L33.7Very low35Very low184 Ų184130.1 Ų130.196%0.96381%0.814SS**PPolyproline II helixtrans-76.9129.7-177.7-76163.5000111.6
124S30.7Very low34.5Very low121 Ų121129.6 Ų129.685%0.84681%0.813SS**PPolyproline II helixtrans-75.9141.6179.1-61.80000113.3
125R31.8Very low34.6Very low234 Ų234128.2 Ų128.288%0.88382%0.821SS**PPolyproline II helixtrans-101.5138.6174.5-152.6-177.3-150.8179.15.2107.8
126S32.2Very low34.5Very low126 Ų126121.4 Ų121.488%0.88182%0.818SS**  trans-134130.8161.2-710000110.8
127T32.7Very low34.7Very low128 Ų128123.3 Ų123.379%0.78582%0.82SS**  trans-92.5152.2179.241.60000111.6
128S31.5Very low34.6Very low122 Ų122127.1 Ų127.185%0.85382%0.822SS**  trans-150.6136.2143.7490000112
129T38Very low34.1Very low144 Ų144126.9 Ų126.988%0.88382%0.824SS**  trans-84.3167-179.546.40000111.5
130G29.3Very low34.1Very low65 Ų65121 Ų12167%0.6782%0.82SS**  cis174.7-177.66.100000114
131S39Very low33.5Very low130 Ų130121 Ų12191%0.90982%0.82SS**  trans64.9145.1151.1-45.90000119.6
132A37.1Very low33Very low89 Ų89120.5 Ų120.574%0.73682%0.819SS**  cis-157.8147.718.700000110.5
133A36.5Very low33.3Very low96 Ų96121.7 Ų121.779%0.79382%0.816SS**  69.1138.1105.700000115.5
134S35.2Very low33.6Very low104 Ų104119.9 Ų119.973%0.72780%0.803SS**  cis-164.9158.9-3.7-65.40000105.1
135S33.1Very low33.7Very low125 Ų125122.9 Ų122.987%0.87480%0.804SS**  154150.779-92.30000108.8
136G29Very low33.8Very low78 Ų78115.2 Ų115.280%0.80480%0.797SS**  trans115.5105.1137.600000118.2
137S33.7Very low33.9Very low113 Ų113117.8 Ų117.879%0.7980%0.8SS**  trans-99.2151.7178.7-34.30000112.6
138N32.9Very low33.9Very low154 Ų154119.1 Ų119.182%0.82480%0.802SS**  trans-179.6111.7143.72812.6000116.4
139S34.3Very low33.9Very low112 Ų112120.5 Ų120.578%0.78381%0.805SS**  38.9126.7125-45.20000125.9
140S33.8Very low33.6Very low120 Ų120124.5 Ų124.584%0.83980%0.804SS**  63.4126.9124.5-50.60000125
141A29.6Very low33.9Very low96 Ų96126.7 Ų126.779%0.79381%0.809SS**  trans163.7115.1132.100000109.6
142S30.1Very low34.1Very low117 Ų117126.3 Ų126.382%0.81880%0.804SS**  56109.980.6-161.80000115.7
143S34.6Very low34.4Very low98 Ų98128 Ų12869%0.68581%0.807SS**  164.6139.1117.6-167.70000112.5
144E40.6Very low34.2Very low146 Ų146132.4 Ų132.468%0.68281%0.813SS**  trans-49.9150.3161.458.7-118.157.300115.2
145Q32.7Very low34.2Very low184 Ų184139.1 Ų139.186%0.8682%0.823SS**  168.1129.2117.8-87.6177.211.600110
146G33.9Very low34.6Very low73 Ų73139.2 Ų139.275%0.75382%0.82SS**  trans-78178.2-165.700000115.7
147L34.5Very low34.6Very low180 Ų180138.5 Ų138.594%0.94281%0.813SS**  trans-153.8116.7135.5-95.8177.5000107.8
148L33.6Very low34.5Very low155 Ų155140.6 Ų140.681%0.81282%0.821SS**  trans-68.1142.5172.4-61.5166.3000109.2
149T31Very low34.4Very low152 Ų152137.1 Ų137.193%0.93382%0.821SS**  trans-137.8130.6138-67.70000108.4
150R31.7Very low34.4Very low228 Ų228140 Ų14086%0.8683%0.827SS**  trans-108.8135.2-151.7-165.2-178.5-174-174.62.5107.6
151S36Very low34.2Very low111 Ų111142.7 Ų142.778%0.77683%0.826SS**  trans-56.6152.7167.6-39.30000111.7
152P42.1Very low34.4Very low122 Ų122146 Ų14679%0.79283%0.825SS**  trans-93159.8163.822.4-8.2000113.1
153P44.8Very low34.5Very low123 Ų123149.4 Ų149.480%0.79983%0.827SS**  trans-105.6164.5-150.538.7-31.7000115.6
154M31.1Very low34.6Very low189 Ų189154 Ų15493%0.93184%0.838SS**  trans-69.7153164.3-79.3-174.8-167.700112.9
155R35.8Very low34.1Very low246 Ų246158.3 Ų158.393%0.92885%0.848SS**  trans-135.8157.2147.4-101.9-162.9-169.9172.85.2112.1
156P40.9Very low34Very low126 Ų126153.8 Ų153.882%0.81884%0.842SS**  trans-109.4164.5-156.940-31.2000114.2
157G29.4Very low34.1Very low64 Ų64159.8 Ų159.866%0.6685%0.85SS**  trans155.8108.3156.200000117
158V32Very low34.2Very low157 Ų157158.6 Ų158.695%0.95284%0.844SS**  trans60.2124.6143.2-72.70000122
159G29.2Very low34.3Very low80 Ų80157.2 Ų157.283%0.82584%0.844SS**  trans162.586.2159.800000114.2
160L34.3Very low34.3Very low172 Ų172157.6 Ų157.690%0.90184%0.839SS**  trans-66.3134165.9-148.396.6000109.1
161Q31.5Very low34.4Very low177 Ų177157.1 Ų157.183%0.82784%0.837SS**  trans169.8145.2131.5-84.3-135.369.500112.9
162H32.6Very low34.2Very low166 Ų166158.1 Ų158.177%0.76984%0.839SS**  trans-35.7145.1177.9-81-151.4000116.5
163H33.1Very low33.7Very low188 Ų188159.1 Ų159.187%0.8783%0.833SS**  -165.1121.6121.8-96-67.3000111.7R165H163-R165 PolarHBondContact O-N 3.5Å
164H36.3Very low33.2Very low195 Ų195158.6 Ų158.690%0.90383%0.83SS**  trans-47.9128.3159.6-109.5-142.6000110.8
165R30.1Very low33.1Very low237 Ų237159.1 Ų159.189%0.89483%0.827SS**  trans-146.3110.7159.3-161.9174.1174.296.4-0.1110.7H163H163-R165 PolarHBondContact O-N 3.5Å
166A31.1Very low32.9Very low89 Ų89153.4 Ų153.474%0.73682%0.821SS**PPolyproline II helixtrans-66.6131.4170.100000110.2
167E34.3Very low32.5Very low198 Ų198157.3 Ų157.393%0.92583%0.825SS**PPolyproline II helixtrans-79.5120.2168.4-85.9-158.499.900110.3
168L37.6Very low32.3Very low155 Ų155161.6 Ų161.681%0.81283%0.832SS**PPolyproline II helixtrans-97.9136.7167.8-78.2161000108.7
169P35.8Very low32.2Very low127 Ų127162.4 Ų162.483%0.82583%0.83SS**PPolyproline II helixtrans-65.9138.6178.7-20.431.7000113.6R171P169-R171 PolarHBondContact O-N 3.45Å
170I31Very low32.2Very low160 Ų160164.2 Ų164.282%0.82182%0.821SS**PPolyproline II helixtrans-66122.4-177.4-64.3165.2000111T172I170-T172 HydrophobicContact CG2-CG2 4.39Å
171R33.6Very low32Very low218 Ų218164.1 Ų164.182%0.82382%0.815SS**  trans-95.1110.7172.7-178170.3-179.8137.3-3.4109.5P169P169-R171 PolarHBondContact O-N 3.45Å
172T32.1Very low32.4Very low131 Ų131160.8 Ų160.880%0.80481%0.809SS**  trans-91.3106.9168.745.70000109.7I170I170-T172 HydrophobicContact CG2-CG2 4.39Å
173Q31.6Very low32.1Very low143 Ų143159.7 Ų159.767%0.66881%0.805SS**  trans-129.7122.6168.5-102.3-84.57.900107.2
174P33.6Very low32Very low113 Ų113158.7 Ų158.773%0.73480%0.8SS**PPolyproline II helixtrans-78.4134.7178.628.5-29000111.7
175K29.6Very low31.6Very low200 Ų200152.9 Ų152.987%0.8779%0.793SS**PPolyproline II helixtrans-74.9131179.1-110.7153.1172.9164.40111.6
176P31.9Very low32.1Very low125 Ų125147.5 Ų147.581%0.81279%0.789SS**PPolyproline II helixtrans-80.4131.6163.529.1-29.2000110.9
177K31.4Very low32Very low208 Ų208152 Ų15290%0.90479%0.794SS**PPolyproline II helixtrans-81.6126.8173.1-74.2-178.8177.6177.10109.7
178L25.9Very low31.7Very low154 Ų154149.4 Ų149.481%0.80679%0.786SS**PPolyproline II helixtrans-75.1131169.3-167.686.7000109.3L180L178-L180 HydrophobicContact CD1-CD1 4.18Å; L178-L180 HydrophobicContact CD2-CD1 3.46Å; L178-L180 VanDerWaalsContact CD2-CD1 3.46Å; L178-L180 HydrophobicContact CG-CD1 3.75Å
179L29Very low31.2Very low174 Ų174150.9 Ų150.991%0.91179%0.789SS**  trans-124.7117166.5-134.6159.3000106.8
180L29Very low30.8Very low119 Ų119153.5 Ų153.562%0.62379%0.79SS**  trans-107.6153.1175.3-108.6103.9000110.5L178L178-L180 HydrophobicContact CD1-CD1 4.18Å; L178-L180 HydrophobicContact CD2-CD1 3.46Å; L178-L180 VanDerWaalsContact CD2-CD1 3.46Å; L178-L180 HydrophobicContact CG-CD1 3.75Å
181Q31.1Very low31.7Very low169 Ų169150.9 Ų150.979%0.7978%0.783SS**  trans114.2156140.9-133.7138.488.100116.3
182P38.9Very low31.8Very low108 Ų108146.1 Ų146.170%0.70178%0.781SS**  -140.7-174-83.544.6-26.7000113.9
183Q28.1Very low32.5Very low143 Ų143145.2 Ų145.267%0.66878%0.777SS**  trans130.9116.9145.5-82-132.5-55.200117.1
184Q29.5Very low32.4Very low166 Ų166147.7 Ų147.778%0.77679%0.788SS**  97.3133.7116.7-80.7173.6-19.500111.8
185G27.8Very low32.5Very low73 Ų73146.7 Ų146.775%0.75379%0.789SS**  cis-178.9174.63.900000107
186P42.3Very low33Very low125 Ų125142.7 Ų142.781%0.81278%0.784SS**  trans-107.1154.6-158.237.8-29.9000115.3
187H28.6Very low32.9Very low183 Ų183145.4 Ų145.485%0.84779%0.791SS**  trans-158.4141.3155-134.7-96.2000114.8
188L27.7Very low32.9Very low143 Ų143144.8 Ų144.875%0.74979%0.788SS**  trans-73.4153.5-174.2-67.5111.2000114.9
189H27.2Very low33.2Very low187 Ų187142.8 Ų142.887%0.86679%0.785SS**  -173.3146122.6-99.779.9000112
190Q26.8Very low33.5Very low182 Ų182140.4 Ų140.485%0.8578%0.78SS**  trans-116.9-173.9-171.2-142.8-165.856.800110.5
191P49.3Very low34.2Very low104 Ų104141 Ų14168%0.67579%0.788SS**  -97.9-173.4-11643.1-26.8000115.6
192P36Very low34.4Very low119 Ų119143.2 Ų143.277%0.77380%0.795SS**  -149.7174.888.836.9-15000116
193P47.9Very low34.1Very low112 Ų112141.5 Ų141.573%0.72780%0.798SS**  trans-95.6174.3-168.737.9-29.1000113.2
194E29.2Very low34.7Very low194 Ų194142.9 Ų142.991%0.90780%0.801SS**  trans160.5147.6139-70.3-117.799.700110.8
195A34.3Very low35.1Very low92 Ų92140.2 Ų140.276%0.7680%0.801SS**  trans-86.9-150.7-160.500000114.6
196P41.6Very low35.7Very low116 Ų116142.5 Ų142.575%0.75380%0.796SS**  -120.9134.9-73.226.2-8.6000112.4
197L29.9Very low35.6Very low183 Ų183144.1 Ų144.196%0.95879%0.79SS**  trans-135.6137.8171.4-74.6167.9000113.2
198K30.5Very low36Very low194 Ų194138.8 Ų138.884%0.84379%0.785SS**  trans-53.8158-170.9-79.6167.5175.5175.40115.8
199P32.8Very low36.7Very low113 Ų113137.8 Ų137.873%0.73479%0.785SS**  trans-74.9139.2-175.530.2-34.5000112.7T201P199-T201 PolarHBondContact O-N 3.02Å
200P34.8Very low37.3Very low124 Ų124131.9 Ų131.981%0.80577%0.768SS**  trans-79.1113.5155.630.4-27.1000108.6
201T43.1Very low37.8Very low132 Ų132126.8 Ų126.881%0.8176%0.757SS**  trans-42.6139.7159.250.50000111.8P199P199-T201 PolarHBondContact O-N 3.02Å
202K36.8Very low37.6Very low214 Ų214124.6 Ų124.693%0.9375%0.748SS**  149.5109.8128.8-166.1171.8-168.6179.30111.4
203G31.8Very low38.3Very low73 Ų73122.3 Ų122.375%0.75374%0.739SS**  trans165.668.6171.900000112.2S205G203-S205 PolarHBondContact O-N 3.34Å
204K40Very low38.7Very low172 Ų172119.7 Ų119.775%0.74873%0.727SS**  trans-53.9119.5172.5-85.7172.3169.3175.30110.5F207K204-F207 HydrophobicContact CB-CE2 4.35Å
205S39.1Very low40.5Very low110 Ų110112.2 Ų112.277%0.76970%0.702SS**  trans-117.955.4154.165.20000109.9G203G203-S205 PolarHBondContact O-N 3.34Å
206D38.9Very low42.6Very low120 Ų120111.6 Ų111.664%0.64268%0.683SS**  trans-92.425.9162.3-65.8-50.7000111.2G208D206-G208 VanDerWaalsContact C-N 3.32Å; D206-G208 PolarHBondContact O-N 3.15Å
207F41Very low44.6Very low159 Ų159108.7 Ų108.770%0.69766%0.659SS**THydrogen-bonded Turntrans-82.7-3.9-174.9-80.6-80.8000114.4K204K204-F207 HydrophobicContact CB-CE2 4.35Å
208G37Very low47.3Very low71 Ų71105 Ų10573%0.73264%0.636SS**THydrogen-bonded Turntrans-85.4-22.9174.900000114.8D206D206-G208 VanDerWaalsContact C-N 3.32Å; D206-G208 PolarHBondContact O-N 3.15Å
209V42.4Very low50.1Low123 Ų12397.5 Ų97.575%0.74560%0.604SS**THydrogen-bonded Turntrans-106.4-26.1-173.5-1740000111.9
210A39.4Very low52.8Low62 Ų6292.1 Ų92.151%0.51257%0.57SS.*Hα-helixtrans-81.3-25.4-178.200000114.7A213A210-A213 PolarHBondContact O-N 3.12Å
211A38.7Very low55.3Low76 Ų7691.8 Ų91.863%0.62856%0.557SS**Hα-helixtrans-73.2-29.6179.200000112.9A213A211-A213 VanDerWaalsContact C-N 3.34Å
212A44.7Very low57.4Low58 Ų5893.7 Ų93.748%0.47955%0.55SS..Hα-helixtrans-69.9-30.6174.100000112.3H216A212-H216 PolarHBondContact O-CD2 2.88Å; A212-H216 PolarHBondContact O-NE2 3.36Å
213A50.6Low59.8Low70 Ų7086 Ų8658%0.57952%0.522SS*.Hα-helixtrans-74.2-24.1179.300000113.4A210 A211A210-A213 PolarHBondContact O-N 3.12Å; A211-A213 VanDerWaalsContact C-N 3.34Å
214A55.9Low62.3Low58 Ų5885 Ų8548%0.47951%0.513SS..Hα-helixtrans-79.4-24.3-179.100000113.7Q217A214-Q217 PolarHBondContact O-NE2 2.9Å
215G66.9Low64.7Low37 Ų3781.4 Ų81.438%0.38150%0.497SS..SBendtrans-85.9-12.2-176.700000115.4Q217 C228G215-Q217 PolarHBondContact O-N 2.88Å; G215-C228 VanDerWaalsContact O-CB 3.29Å; G215-C228 WeakPolarHBondContact O-CB 3.15Å
216H79.3Confident67.1Low78 Ų7877 Ų7736%0.36147%0.466SS..  trans-98.426.4-170.9-64.1-37.4000114.9A212 F218 I219 C226 C228 C231A212-H216 PolarHBondContact O-CD2 2.88Å; A212-H216 PolarHBondContact O-NE2 3.36Å; H216-F218 PolarHBondContact O-N 2.84Å; H216-I219 WeakPolarHBondContact O-CD1 3.45Å; H216-C226 VanDerWaalsContact CA-SG 3.51Å; H216-C228 PolarHBondContact CE1-SG 2.86Å; H216-C228 PolarHBondContact ND1-SG 2.73Å; H216-C231 PolarHBondContact CE1-SG 3.29Å; H216-C231 PolarHBondContact ND1-SG 2.78Å
217Q82.6Confident69.5Low56 Ų5673.8 Ų73.826%0.26245%0.446SS..  trans-80.1-17.8-171.4-65.6170.6-7.200114.3A214 G215 I219 Y343 C344A214-Q217 PolarHBondContact O-NE2 2.9Å; G215-Q217 PolarHBondContact O-N 2.88Å; Q217-I219 PolarHBondContact O-N 3.15Å; Q217-Y343 HydrophobicContact CB-CD2 3.96Å; Q217-Y343 HydrophobicContact CB-CE2 3.6Å; Q217-Y343 VanDerWaalsContact CD-OH 3.28Å; Q217-Y343 HydrophobicContact CG-CE2 4.25Å; Q217-Y343 CarbonylContact O-C 3.6Å; Q217-Y343 WeakPolarHBondContact O-CA 3.44Å; Q217-Y343 PolarHBondContact OE1-OH 3.48Å; Q217-C344 PolarHBondContact O-N 3.24Å
218F85.9Confident71.7Confident106 Ų10666.7 Ų66.747%0.46542%0.416SS..EExtended strand (participates in β ladder)trans-90.5102.5-178.3-64.9-74.1000110.7H216 C226 K227 T341 Y343H216-F218 PolarHBondContact O-N 2.84Å; F218-C226 CarbonylContact O-C 3.49Å; F218-C226 VanDerWaalsContact O-CA 3.31Å; F218-C226 WeakPolarHBondContact O-CA 3.33Å; F218-C226 PolarHBondContact O-SG 3.28Å; F218-C226 VanDerWaalsContact O-SG 3.4Å; F218-K227 HydrophobicContact CB-CB 4.19Å; F218-K227 PolarHBondContact O-N 3.49Å; F218-T341 HydrophobicContact CB-CG2 3.63Å; F218-T341 HydrophobicContact CD1-CG2 3.89Å; F218-T341 HydrophobicContact CG-CG2 4.25Å; F218-Y343 HydrophobicContact CE1-CD2 4.24Å
219I89.4Confident73.8Confident35 Ų3567.4 Ų67.418%0.17941%0.41CS..EExtended strand (participates in β ladder)trans-109139-177.4-55.4-54.9000110.8H216 Q217 G224 C226 T341 V342 C344H216-I219 WeakPolarHBondContact O-CD1 3.45Å; Q217-I219 PolarHBondContact O-N 3.15Å; I219-G224 VanDerWaalsContact CG2-C 3.44Å; I219-G224 VanDerWaalsContact CG2-O 3.23Å; I219-G224 WeakPolarHBondContact CG2-O 3.12Å; I219-C226 HydrophobicContact CD1-CB 3.8Å; I219-T341 CarbonylContact O-C 3.46Å; I219-T341 WeakPolarHBondContact O-CA 3.31Å; I219-V342 PolarHBondContact N-O 2.63Å; I219-V342 PolarHBondContact O-N 3.38Å; I219-C344 HydrophobicContact CG1-CB 4.15Å; I219-C344 VanDerWaalsContact CG1-SG 3.52Å
220C90.1Very high75.8Confident1 Ų166.3 Ų66.31%0.00740%0.4CS..EExtended strand (participates in β ladder)trans-75.2126.2176.3175.80000112.2R222 C223 G224 K225 K227 C334 S339C220-R222 VanDerWaalsContact C-N 3.3Å; C220-R222 PolarHBondContact O-N 3.47Å; C220-R222 PolarHBondContact SG-N 3.2Å; C220-R222 VanDerWaalsContact SG-N 3.4Å; C220-C223 VanDerWaalsContact CB-SG 3.59Å; C220-C223 PolarHBondContact O-N 3.44Å; C220-C223 PolarHBondContact SG-SG 3.14Å; C220-G224 VanDerWaalsContact O-CA 3.31Å; C220-G224 WeakPolarHBondContact O-CA 3.41Å; C220-G224 PolarHBondContact O-N 2.77Å; C220-K225 WeakPolarHBondContact CB-O 3.33Å; C220-K225 PolarHBondContact N-O 3.33Å; C220-K227 HydrophobicContact CB-CD 4.44Å; C220-K227 HydrophobicContact CB-CG 4.41Å; C220-C334 HydrophobicContact CB-CB 3.7Å; C220-C334 WeakPolarHBondContact CB-SG 3.33Å; C220-C334 PolarHBondContact SG-SG 3.49Å; C220-S339 WeakPolarHBondContact SG-CB 3.36Å; C220-S339 PolarHBondContact SG-OG 3.4Å
221E88.3Confident78Confident117 Ų11763.7 Ų63.755%0.54738%0.378SS..THydrogen-bonded Turntrans-60.1-36.7176.5-73.9-178.5-175.700113.6N340 V342E221-N340 HydrophobicContact CG-CB 4.28Å; E221-N340 PolarHBondContact N-O 3.29Å; E221-N340 VanDerWaalsContact N-O 3.15Å; E221-N340 VanDerWaalsContact OE2-CB 3.25Å; E221-N340 WeakPolarHBondContact OE2-CB 3.39Å; E221-V342 HydrophobicContact CB-CG2 4.4Å; E221-V342 HydrophobicContact CG-CG2 3.11Å; E221-V342 WeakPolarHBondContact OE1-CG2 3.3Å
222R87Confident80.2Confident171 Ų17162.2 Ų62.265%0.64536%0.361SS*.THydrogen-bonded Turntrans-76-30.8-176.5-60.9-170.6-154.7-154.92115.1C220 N338C220-R222 VanDerWaalsContact C-N 3.3Å; C220-R222 PolarHBondContact O-N 3.47Å; C220-R222 PolarHBondContact SG-N 3.2Å; C220-R222 VanDerWaalsContact SG-N 3.4Å; R222-N338 VanDerWaalsContact NH2-C 3.31Å; R222-N338 PolarHBondContact NH2-O 2.95Å
223C87.8Confident82Confident53 Ų5361.3 Ų61.336%0.35835%0.353SS..THydrogen-bonded Turntrans-131.6-0.1-170.969.50000114.4C220 K225C220-C223 VanDerWaalsContact CB-SG 3.59Å; C220-C223 PolarHBondContact O-N 3.44Å; C220-C223 PolarHBondContact SG-SG 3.14Å; C223-K225 PolarHBondContact O-N 3.25Å
224G84Confident83.3Confident53 Ų5362.5 Ų62.555%0.54636%0.355SS..  trans653.1179.700000115.2I219 C220I219-G224 VanDerWaalsContact CG2-C 3.44Å; I219-G224 VanDerWaalsContact CG2-O 3.23Å; I219-G224 WeakPolarHBondContact CG2-O 3.12Å; C220-G224 VanDerWaalsContact O-CA 3.31Å; C220-G224 WeakPolarHBondContact O-CA 3.41Å; C220-G224 PolarHBondContact O-N 2.77Å
225K89Confident84.5Confident96 Ų9664.5 Ų64.542%0.41735%0.35SS..  trans-87.4148.5-179-62.6-171.7176.1-164.10112.1C220 C223 G333 C334C220-K225 WeakPolarHBondContact CB-O 3.33Å; C220-K225 PolarHBondContact N-O 3.33Å; C223-K225 PolarHBondContact O-N 3.25Å; K225-G333 WeakPolarHBondContact CD-O 3.33Å; K225-C334 HydrophobicContact CB-CB 4.03Å
226C90.5Very high84.9Confident17 Ų1766.8 Ų66.812%0.11536%0.361CS..BIsolated β-bridgetrans-68.3142.9178.1-168.40000112.5H216 F218 I219 C228 C231 G333 C334H216-C226 VanDerWaalsContact CA-SG 3.51Å; F218-C226 CarbonylContact O-C 3.49Å; F218-C226 VanDerWaalsContact O-CA 3.31Å; F218-C226 WeakPolarHBondContact O-CA 3.33Å; F218-C226 PolarHBondContact O-SG 3.28Å; F218-C226 VanDerWaalsContact O-SG 3.4Å; I219-C226 HydrophobicContact CD1-CB 3.8Å; C226-C228 PolarHBondContact SG-N 2.89Å; C226-C231 HydrophobicContact CB-CB 4.11Å; C226-C231 VanDerWaalsContact CB-SG 3.54Å; C226-C231 PolarHBondContact SG-SG 3.44Å; C226-G333 CarbonylContact O-C 3.49Å; C226-G333 WeakPolarHBondContact O-CA 3.15Å; C226-C334 PolarHBondContact O-N 3.47Å
227K88.6Confident84.6Confident52 Ų5265.5 Ų65.523%0.22636%0.356CS..  trans-104.58.3178.9-77.5-178172.8-165.40113.5F218 C220 C334 S339 T341F218-K227 HydrophobicContact CB-CB 4.19Å; F218-K227 PolarHBondContact O-N 3.49Å; C220-K227 HydrophobicContact CB-CD 4.44Å; C220-K227 HydrophobicContact CB-CG 4.41Å; K227-C334 HydrophobicContact CG-CB 3.62Å; K227-S339 WeakPolarHBondContact CE-OG 3.3Å; K227-S339 PolarHBondContact NZ-O 2.67Å; K227-S339 PolarHBondContact NZ-OG 2.87Å; K227-T341 HydrophobicContact CD-CG2 3.89Å; K227-T341 WeakPolarHBondContact CD-OG1 3.38Å; K227-T341 PolarHBondContact NZ-OG1 3.15Å
228C87.4Confident84Confident10 Ų1067.4 Ų67.47%0.06837%0.373CS..SBendtrans-57.4153.4176.890.10000111.7G215 H216 C226 D230 C231 T232G215-C228 VanDerWaalsContact O-CB 3.29Å; G215-C228 WeakPolarHBondContact O-CB 3.15Å; H216-C228 PolarHBondContact CE1-SG 2.86Å; H216-C228 PolarHBondContact ND1-SG 2.73Å; C226-C228 PolarHBondContact SG-N 2.89Å; C228-D230 PolarHBondContact O-N 2.87Å; C228-C231 HydrophobicContact CB-CB 4.21Å; C228-C231 WeakPolarHBondContact CB-SG 3.24Å; C228-C231 WeakPolarHBondContact O-CB 3Å; C228-C231 PolarHBondContact O-N 3.38Å; C228-C231 VanDerWaalsContact O-N 3.16Å; C228-C231 WeakPolarHBondContact SG-CB 3.11Å; C228-C231 PolarHBondContact SG-N 3.03Å; C228-C231 CovalentContact SG-SG 2.08Å; C228-C231 PolarHBondContact SG-SG 2.9Å; C228-T232 WeakPolarHBondContact O-CB 3.31Å; C228-T232 WeakPolarHBondContact O-CG2 3.15Å; C228-T232 PolarHBondContact O-N 3.45Å; C228-T232 PolarHBondContact O-OG1 3.36Å
229S82Confident83.4Confident87 Ų8765.8 Ų65.861%0.60838%0.375SS*.Hα-helixtrans-55.1-40177.247.60000111.9C231 T232 A233S229-C231 VanDerWaalsContact C-N 3.34Å; S229-C231 PolarHBondContact O-N 2.78Å; S229-T232 CarbonylContact O-C 3.56Å; S229-T232 PolarHBondContact O-N 3.03Å; S229-T232 PolarHBondContact O-OG1 2.84Å; S229-A233 WeakPolarHBondContact O-CA 3.03Å; S229-A233 VanDerWaalsContact O-CB 3.25Å; S229-A233 WeakPolarHBondContact O-CB 3.03Å; S229-A233 PolarHBondContact O-N 3.16Å
230D84.6Confident82Confident99 Ų9968 Ų6853%0.52939%0.392SS..Hα-helixtrans-72.5-30.9-177.5-50.3-38.3000112.6C228 R235C228-D230 PolarHBondContact O-N 2.87Å; D230-R235 PolarHBondContact O-NH2 3.42Å
231C84.8Confident80.5Confident7 Ų773.2 Ų73.25%0.04742%0.42CS..Hα-helixtrans-76.8-38.7179.6-49.20000110.6H216 C226 C228 S229 R331 G333H216-C231 PolarHBondContact CE1-SG 3.29Å; H216-C231 PolarHBondContact ND1-SG 2.78Å; C226-C231 HydrophobicContact CB-CB 4.11Å; C226-C231 VanDerWaalsContact CB-SG 3.54Å; C226-C231 PolarHBondContact SG-SG 3.44Å; C228-C231 HydrophobicContact CB-CB 4.21Å; C228-C231 WeakPolarHBondContact CB-SG 3.24Å; C228-C231 WeakPolarHBondContact O-CB 3Å; C228-C231 PolarHBondContact O-N 3.38Å; C228-C231 VanDerWaalsContact O-N 3.16Å; C228-C231 WeakPolarHBondContact SG-CB 3.11Å; C228-C231 PolarHBondContact SG-N 3.03Å; C228-C231 CovalentContact SG-SG 2.08Å; C228-C231 PolarHBondContact SG-SG 2.9Å; S229-C231 VanDerWaalsContact C-N 3.34Å; S229-C231 PolarHBondContact O-N 2.78Å; C231-R331 WeakPolarHBondContact O-CG 3.45Å; C231-G333 VanDerWaalsContact O-CA 3.22Å; C231-G333 WeakPolarHBondContact O-CA 3.38Å; C231-G333 PolarHBondContact O-N 3.45Å
232T84.3Confident79.2Confident46 Ų4669 Ų6928%0.28241%0.405SS..Hα-helixtrans-94-5.7-177.758.70000112.5C228 S229 R331C228-T232 WeakPolarHBondContact O-CB 3.31Å; C228-T232 WeakPolarHBondContact O-CG2 3.15Å; C228-T232 PolarHBondContact O-N 3.45Å; C228-T232 PolarHBondContact O-OG1 3.36Å; S229-T232 CarbonylContact O-C 3.56Å; S229-T232 PolarHBondContact O-N 3.03Å; S229-T232 PolarHBondContact O-OG1 2.84Å; T232-R331 PolarHBondContact O-NE 3.23Å; T232-R331 PolarHBondContact O-NH2 3.25Å
233A83.5Confident77.8Confident38 Ų3864.7 Ų64.731%0.31440%0.4SS..SBendtrans-62140.6174.100000110.9S229 R331S229-A233 WeakPolarHBondContact O-CA 3.03Å; S229-A233 VanDerWaalsContact O-CB 3.25Å; S229-A233 WeakPolarHBondContact O-CB 3.03Å; S229-A233 PolarHBondContact O-N 3.16Å; A233-R331 VanDerWaalsContact C-NH2 3.34Å; A233-R331 PolarHBondContact O-NE 3.28Å
234P78.5Confident76.7Confident95 Ų9570.3 Ų70.362%0.61743%0.427SS*.PPolyproline II helixtrans-63.4135.7174.3-14.926.4000110.2D327 R331P234-D327 VanDerWaalsContact CA-OD1 3.24Å; P234-D327 WeakPolarHBondContact CA-OD1 3.46Å; P234-R331 VanDerWaalsContact CA-NH2 3.28Å
235R79.5Confident75.9Confident100 Ų10070 Ų7038%0.37742%0.424SS..PPolyproline II helixtrans-87.6124175-60.8-63172.5143.7-8.5109.9D230 Y326 D327D230-R235 PolarHBondContact O-NH2 3.42Å; R235-Y326 HydrophobicContact CB-CD1 4.44Å; R235-Y326 HydrophobicContact CB-CE1 4.2Å; R235-D327 PolarHBondContact N-OD1 3.06Å
236S76.2Confident74.7Confident86 Ų8673.5 Ų73.560%0.60144%0.442SS*.PPolyproline II helixtrans-72.9159166.849.20000110.3
237L71.9Confident73.5Confident50 Ų5075.4 Ų75.426%0.26246%0.455SS..PPolyproline II helixtrans-62139.1170.7-68.5168.2000108.7S239 A251 Q323 Y326L237-S239 PolarHBondContact O-N 2.74Å; L237-A251 HydrophobicContact CD1-CB 4.29Å; L237-Q323 HydrophobicContact CD1-CB 4.14Å; L237-Q323 HydrophobicContact CG-CB 4.01Å; L237-Q323 HydrophobicContact CG-CG 4.26Å; L237-Y326 HydrophobicContact CD2-CD1 4.37Å; L237-Y326 HydrophobicContact CD2-CG 4.18Å
238P71.3Confident72.5Confident97 Ų9778.6 Ų78.663%0.6347%0.474SS*.PPolyproline II helixtrans-61.1127177.922.8-30.4000109.9
239S73.5Confident71.6Confident72 Ų7280.6 Ų80.650%0.50349%0.487SS..PPolyproline II helixtrans-87.7128.2168.449.50000108.6L237L237-S239 PolarHBondContact O-N 2.74Å
240C59.8Low71.4Confident80 Ų8078 Ų7854%0.54147%0.468SS..EExtended strand (participates in β ladder)trans-94.3138.9173.657.10000109.8A242 C249C240-A242 PolarHBondContact O-N 3.38Å; C240-C249 PolarHBondContact N-O 3.2Å; C240-C249 PolarHBondContact O-N 3.45Å
241L58.2Low71.3Confident111 Ų11175 Ų7558%0.58146%0.458SS*.EExtended strand (participates in β ladder)trans-74.9103163.1-86.7151.8000107.4G245 C247 L248L241-G245 WeakPolarHBondContact CD2-O 3.38Å; L241-C247 CarbonylContact C-O 3.57Å; L241-C247 WeakPolarHBondContact CA-O 3.43Å; L241-L248 HydrophobicContact CD2-CD2 3.92Å; L241-L248 HydrophobicContact CD2-CG 4.14Å; L241-L248 HydrophobicContact CG-CD2 3.83Å
242A60.5Low71.2Confident29 Ų2980.1 Ų80.124%0.2448%0.481CS..EExtended strand (participates in β ladder)trans-90.6171.7171.400000110.6C240 Q246 C247 C249C240-A242 PolarHBondContact O-N 3.38Å; A242-Q246 PolarHBondContact O-N 3.31Å; A242-C247 PolarHBondContact N-O 2.77Å; A242-C247 PolarHBondContact O-N 3.49Å; A242-C249 HydrophobicContact CB-CB 4.1Å; A242-C249 WeakPolarHBondContact CB-SG 3.35Å
243C57.8Low71.1Confident80 Ų8079.8 Ų79.854%0.54148%0.48SS..THydrogen-bonded Turntrans57.560.8176.1-55.20000113.6G245 Q246 C247C243-G245 PolarHBondContact O-N 2.8Å; C243-G245 VanDerWaalsContact O-N 3.14Å; C243-Q246 WeakPolarHBondContact O-CB 3.29Å; C243-Q246 PolarHBondContact O-N 2.79Å; C243-C247 HydrophobicContact CB-CB 4.12Å
244N64Low71.1Confident172 Ų17281 Ų8192%0.9249%0.49SS*.THydrogen-bonded Turntrans5336.3177.7-61.3-38.7000114.1
245G67.6Low71.6Confident47 Ų4777.2 Ų77.249%0.48547%0.465SS..THydrogen-bonded Turntrans81.410.2179.800000115.2L241 C243L241-G245 WeakPolarHBondContact CD2-O 3.38Å; C243-G245 PolarHBondContact O-N 2.8Å; C243-G245 VanDerWaalsContact O-N 3.14Å
246Q63.7Low71.9Confident169 Ų16974.7 Ų74.779%0.7946%0.458SS*.THydrogen-bonded Turntrans-98.7-21.4-175.7-60.8-172.8-24.400114A242 C243A242-Q246 PolarHBondContact O-N 3.31Å; C243-Q246 WeakPolarHBondContact O-CB 3.29Å; C243-Q246 PolarHBondContact O-N 2.79Å
247C65.9Low72.3Confident57 Ų5777 Ų7739%0.38546%0.459SS..EExtended strand (participates in β ladder)trans-122.1121.1-177.5-59.80000111L241 A242 C243 C249L241-C247 CarbonylContact C-O 3.57Å; L241-C247 WeakPolarHBondContact CA-O 3.43Å; A242-C247 PolarHBondContact N-O 2.77Å; A242-C247 PolarHBondContact O-N 3.49Å; C243-C247 HydrophobicContact CB-CB 4.12Å; C247-C249 PolarHBondContact O-N 3.41Å
248L66.9Low72.9Confident119 Ų11977.4 Ų77.462%0.62347%0.474SS*.EExtended strand (participates in β ladder)trans-76.2101.4165.8-76.6165.7000108.9L241 S250L241-L248 HydrophobicContact CD2-CD2 3.92Å; L241-L248 HydrophobicContact CD2-CG 4.14Å; L241-L248 HydrophobicContact CG-CD2 3.83Å; L248-S250 PolarHBondContact O-N 3.17Å; L248-S250 VanDerWaalsContact O-N 3.12Å
249C68.9Low73.7Confident51 Ų5173.2 Ų73.235%0.34545%0.447SS..EExtended strand (participates in β ladder)trans-81.885.4170.8-77.40000108.8C240 A242 C247C240-C249 PolarHBondContact N-O 3.2Å; C240-C249 PolarHBondContact O-N 3.45Å; A242-C249 HydrophobicContact CB-CB 4.1Å; A242-C249 WeakPolarHBondContact CB-SG 3.35Å; C247-C249 PolarHBondContact O-N 3.41Å
250S78.8Confident74.4Confident32 Ų3270.9 Ų70.922%0.22443%0.431CS..  trans-76.7142.5161-179.50000108.9L248 E252 S253 A254L248-S250 PolarHBondContact O-N 3.17Å; L248-S250 VanDerWaalsContact O-N 3.12Å; S250-E252 PolarHBondContact O-N 2.67Å; S250-E252 VanDerWaalsContact O-N 3.15Å; S250-E252 PolarHBondContact OG-N 2.69Å; S250-E252 PolarHBondContact OG-OE2 3.37Å; S250-S253 PolarHBondContact N-OG 2.86Å; S250-S253 PolarHBondContact O-N 2.62Å; S250-S253 VanDerWaalsContact O-N 3.12Å; S250-S253 PolarHBondContact O-OG 2.98Å; S250-A254 PolarHBondContact O-N 3.43Å; S250-A254 VanDerWaalsContact O-N 3.08Å
251A81.7Confident75.7Confident37 Ų3767.2 Ų67.231%0.30641%0.406SS..Hα-helixtrans-56.2-29.4171.700000111.6L237 L255 L319L237-A251 HydrophobicContact CD1-CB 4.29Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.24Å; A251-L255 PolarHBondContact O-N 2.93Å; A251-L255 VanDerWaalsContact O-N 3.1Å; A251-L319 HydrophobicContact CB-CD1 4.15Å; A251-L319 HydrophobicContact CB-CD2 4.22Å
252E83Confident77Confident114 Ų11464.1 Ų64.153%0.53339%0.393SS..Hα-helixtrans-71.2-42.1177.8-62.9163.3157.200111.8S250 L255 E256S250-E252 PolarHBondContact O-N 2.67Å; S250-E252 VanDerWaalsContact O-N 3.15Å; S250-E252 PolarHBondContact OG-N 2.69Å; S250-E252 PolarHBondContact OG-OE2 3.37Å; E252-L255 PolarHBondContact O-N 3.01Å; E252-E256 WeakPolarHBondContact O-CG 3.24Å; E252-E256 PolarHBondContact O-N 3.4Å
253S81.3Confident78.2Confident39 Ų3966.6 Ų66.627%0.27340%0.401SS..Hα-helixtrans-69.8-41.6178.561.30000111.1S250 L255 E256 H257S250-S253 PolarHBondContact N-OG 2.86Å; S250-S253 PolarHBondContact O-N 2.62Å; S250-S253 VanDerWaalsContact O-N 3.12Å; S250-S253 PolarHBondContact O-OG 2.98Å; S253-L255 VanDerWaalsContact C-N 3.29Å; S253-L255 PolarHBondContact O-N 2.97Å; S253-E256 PolarHBondContact O-N 3.05Å; S253-H257 PolarHBondContact O-N 3.03Å; S253-H257 VanDerWaalsContact O-N 3.07Å; S253-H257 PolarHBondContact O-ND1 3.08Å
254A85.1Confident79.5Confident63 Ų6363.1 Ų63.152%0.52138%0.378SS..Hα-helixtrans-58.9-42.4174.300000111.9S250 G258S250-A254 PolarHBondContact O-N 3.43Å; S250-A254 VanDerWaalsContact O-N 3.08Å; A254-G258 PolarHBondContact O-N 2.93Å
255L87Confident80.5Confident17 Ų1757.3 Ų57.39%0.08934%0.344CS..Hα-helixtrans-62.4-45.4176179.9151.7000111.6A251 E252 S253 H257 G258 T259 Y312 V315 K316 L319A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.24Å; A251-L255 PolarHBondContact O-N 2.93Å; A251-L255 VanDerWaalsContact O-N 3.1Å; E252-L255 PolarHBondContact O-N 3.01Å; S253-L255 VanDerWaalsContact C-N 3.29Å; S253-L255 PolarHBondContact O-N 2.97Å; L255-H257 VanDerWaalsContact C-N 3.34Å; L255-H257 PolarHBondContact O-N 3.12Å; L255-G258 PolarHBondContact O-N 3.12Å; L255-T259 HydrophobicContact CD2-CG2 4.41Å; L255-T259 HydrophobicContact CG-CG2 4.22Å; L255-T259 WeakPolarHBondContact O-CB 3.34Å; L255-T259 VanDerWaalsContact O-CG2 3.27Å; L255-T259 WeakPolarHBondContact O-CG2 3.22Å; L255-T259 PolarHBondContact O-N 3.15Å; L255-T259 PolarHBondContact O-OG1 3.04Å; L255-Y312 HydrophobicContact CD2-CD2 3.17Å; L255-Y312 HydrophobicContact CD2-CE2 3.15Å; L255-Y312 HydrophobicContact CD2-CG 4.27Å; L255-Y312 HydrophobicContact CG-CD2 4.4Å; L255-V315 HydrophobicContact CD1-CB 3.92Å; L255-V315 HydrophobicContact CD1-CG1 3.51Å; L255-V315 HydrophobicContact CG-CG1 4.26Å; L255-K316 HydrophobicContact CD1-CB 4.09Å; L255-L319 HydrophobicContact CB-CD1 4.02Å; L255-L319 HydrophobicContact CD1-CD1 3.39Å; L255-L319 HydrophobicContact CD1-CG 4.02Å; L255-L319 HydrophobicContact CG-CD1 4.32Å
256E86.3Confident81.3Confident47 Ų4756.5 Ų56.522%0.2234%0.336CS..Hα-helixtrans-64.9-36.7-178.4-73.9-179.4-179.700113.5E252 S253 C260 M261 C262 K265 Y312E252-E256 WeakPolarHBondContact O-CG 3.24Å; E252-E256 PolarHBondContact O-N 3.4Å; S253-E256 PolarHBondContact O-N 3.05Å; E256-C260 PolarHBondContact O-N 3.31Å; E256-M261 PolarHBondContact O-N 3.1Å; E256-C262 PolarHBondContact O-N 3.38Å; E256-K265 IonicContact OE1-NZ 2.67Å; E256-K265 PolarHBondContact OE1-NZ 3.2Å; E256-K265 IonicContact OE2-NZ 3.87Å; E256-K265 PolarHBondContact OE2-NZ 2.84Å; E256-Y312 HydrophobicContact CG-CE2 4.28Å
257H85.7Confident82.2Confident135 Ų13551.3 Ų51.363%0.62531%0.313SS*.Hα-helixtrans-75.7-38175.6-67.577.2000111.5S253 L255S253-H257 PolarHBondContact O-N 3.03Å; S253-H257 VanDerWaalsContact O-N 3.07Å; S253-H257 PolarHBondContact O-ND1 3.08Å; L255-H257 VanDerWaalsContact C-N 3.34Å; L255-H257 PolarHBondContact O-N 3.12Å
258G84.4Confident82.9Confident57 Ų5749.3 Ų49.359%0.58830%0.298SS*.Hα-helixtrans-72.1-31.9-179.800000114.2A254 L255A254-G258 PolarHBondContact O-N 2.93Å; L255-G258 PolarHBondContact O-N 3.12Å
259T87.9Confident83.5Confident9 Ų950 Ų506%0.05529%0.293CS..THydrogen-bonded Turntrans-95.64.7-180710000112.8L255 M261 C308 L309 Y312L255-T259 HydrophobicContact CD2-CG2 4.41Å; L255-T259 HydrophobicContact CG-CG2 4.22Å; L255-T259 WeakPolarHBondContact O-CB 3.34Å; L255-T259 VanDerWaalsContact O-CG2 3.27Å; L255-T259 WeakPolarHBondContact O-CG2 3.22Å; L255-T259 PolarHBondContact O-N 3.15Å; L255-T259 PolarHBondContact O-OG1 3.04Å; T259-M261 PolarHBondContact O-N 3.3Å; T259-M261 VanDerWaalsContact O-N 3.15Å; T259-M261 WeakPolarHBondContact OG1-CB 3.42Å; T259-M261 PolarHBondContact OG1-N 3.43Å; T259-C308 WeakPolarHBondContact CB-O 3.25Å; T259-C308 CarbonylContact O-C 3.35Å; T259-L309 WeakPolarHBondContact O-CA 3.42Å; T259-L309 VanDerWaalsContact O-CD2 3.25Å; T259-L309 WeakPolarHBondContact O-CD2 3.09Å; T259-L309 PolarHBondContact O-N 2.96Å; T259-Y312 HydrophobicContact CG2-CD2 4.31Å; T259-Y312 VanDerWaalsContact OG1-CD2 3.25Å; T259-Y312 WeakPolarHBondContact OG1-CD2 3.46Å
260C88Confident83.9Confident24 Ų2455.3 Ų55.316%0.16231%0.312CS..THydrogen-bonded Turntrans6316.3-175.9-39.70000114E256 C262 L263 F306 C308 L309E256-C260 PolarHBondContact O-N 3.31Å; C260-C262 PolarHBondContact O-N 3.46Å; C260-L263 HydrophobicContact CB-CD1 4.24Å; C260-L263 WeakPolarHBondContact O-CB 3.45Å; C260-L263 PolarHBondContact O-N 3.24Å; C260-L263 VanDerWaalsContact O-N 3.15Å; C260-F306 HydrophobicContact CB-CB 4.4Å; C260-F306 HydrophobicContact CB-CD1 4.43Å; C260-C308 HydrophobicContact CB-CB 4.34Å; C260-C308 WeakPolarHBondContact CB-SG 3.09Å; C260-C308 WeakPolarHBondContact SG-CB 3.43Å; C260-C308 CovalentContact SG-SG 2.07Å; C260-C308 PolarHBondContact SG-SG 3.15Å; C260-L309 HydrophobicContact CB-CD2 4.44Å
261M86.2Confident83.5Confident3 Ų358.4 Ų58.42%0.01533%0.333CS..Hα-helixtrans-67.7-26-179.2-177.659.3102.100111.6E256 T259 L263 V264 K265 P284 M299 L309 Y312E256-M261 PolarHBondContact O-N 3.1Å; T259-M261 PolarHBondContact O-N 3.3Å; T259-M261 VanDerWaalsContact O-N 3.15Å; T259-M261 WeakPolarHBondContact OG1-CB 3.42Å; T259-M261 PolarHBondContact OG1-N 3.43Å; M261-L263 PolarHBondContact O-N 3.23Å; M261-V264 PolarHBondContact O-N 3.26Å; M261-V264 HydrophobicContact SD-CB 3.87Å; M261-V264 HydrophobicContact SD-CG1 4.05Å; M261-V264 HydrophobicContact SD-CG2 4.44Å; M261-K265 WeakPolarHBondContact O-CG 3.36Å; M261-K265 PolarHBondContact O-N 2.79Å; M261-P284 HydrophobicContact CE-CG 3.99Å; M261-P284 HydrophobicContact SD-CG 4.04Å; M261-M299 HydrophobicContact CE-CE 3.84Å; M261-M299 HydrophobicContact SD-CE 4.41Å; M261-L309 HydrophobicContact CB-CD2 4.44Å; M261-L309 HydrophobicContact SD-CD2 4.46Å; M261-Y312 HydrophobicContact CB-CD2 3.65Å; M261-Y312 HydrophobicContact CB-CE2 3.69Å; M261-Y312 HydrophobicContact CB-CG 4.37Å; M261-Y312 HydrophobicContact CE-CD1 3.25Å; M261-Y312 HydrophobicContact CE-CD2 4.04Å; M261-Y312 HydrophobicContact CE-CE1 3.16Å; M261-Y312 HydrophobicContact CE-CE2 3.97Å; M261-Y312 HydrophobicContact CE-CG 3.68Å; M261-Y312 HydrophobicContact CG-CD2 3.9Å; M261-Y312 HydrophobicContact CG-CE1 4.44Å; M261-Y312 HydrophobicContact CG-CE2 3.52Å; M261-Y312 HydrophobicContact CG-CG 4.46Å
262C85.4Confident82.9Confident46 Ų4657.9 Ų57.931%0.31133%0.327SS..Hα-helixtrans-56-36.7171.856.70000113E256 C260 K265 G266E256-C262 PolarHBondContact O-N 3.38Å; C260-C262 PolarHBondContact O-N 3.46Å; C262-K265 PolarHBondContact O-N 2.85Å; C262-G266 PolarHBondContact O-N 3.47Å
263L85.7Confident81.7Confident81 Ų8157.9 Ų57.942%0.42433%0.331SS..Hα-helixtrans-68.3-41.8178-60.2178.5000111.3C260 M261 G266 I267 F306C260-L263 HydrophobicContact CB-CD1 4.24Å; C260-L263 WeakPolarHBondContact O-CB 3.45Å; C260-L263 PolarHBondContact O-N 3.24Å; C260-L263 VanDerWaalsContact O-N 3.15Å; M261-L263 PolarHBondContact O-N 3.23Å; L263-G266 PolarHBondContact O-N 3.42Å; L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.33Å; L263-I267 PolarHBondContact O-N 3.44Å; L263-F306 HydrophobicContact CD1-CD1 4.24Å; L263-F306 HydrophobicContact CD1-CE1 3.74Å; L263-F306 HydrophobicContact CD1-CE2 4.37Å; L263-F306 HydrophobicContact CD1-CZ 3.82Å
264V85.5Confident80.7Confident7 Ų762.6 Ų62.64%0.04235%0.353CS..Hα-helixtrans-63.4-43.3176.6175.10000110.8M261 G266 I267 F268 M299 L309M261-V264 PolarHBondContact O-N 3.26Å; M261-V264 HydrophobicContact SD-CB 3.87Å; M261-V264 HydrophobicContact SD-CG1 4.05Å; M261-V264 HydrophobicContact SD-CG2 4.44Å; V264-G266 VanDerWaalsContact C-N 3.33Å; V264-G266 PolarHBondContact O-N 2.85Å; V264-I267 PolarHBondContact O-N 3.05Å; V264-F268 HydrophobicContact CG1-CD2 3.55Å; V264-F268 HydrophobicContact CG1-CE2 3.33Å; V264-F268 HydrophobicContact CG1-CZ 4.38Å; V264-F268 WeakPolarHBondContact O-CB 3.43Å; V264-F268 VanDerWaalsContact O-CD2 3.23Å; V264-F268 WeakPolarHBondContact O-CD2 2.97Å; V264-F268 PolarHBondContact O-N 2.88Å; V264-M299 HydrophobicContact CG1-CE 4.31Å; V264-M299 HydrophobicContact CG1-CG 4.2Å; V264-L309 HydrophobicContact CG2-CD1 3.68Å; V264-L309 HydrophobicContact CG2-CD2 3.59Å; V264-L309 HydrophobicContact CG2-CG 4.32Å
265K85.4Confident79.3Confident49 Ų4965.8 Ų65.821%0.21336%0.361CS..Hα-helixtrans-60.5-41.9173.3-69-173177.5178.70112.1E256 M261 C262 F268 Y269 A281E256-K265 IonicContact OE1-NZ 2.67Å; E256-K265 PolarHBondContact OE1-NZ 3.2Å; E256-K265 IonicContact OE2-NZ 3.87Å; E256-K265 PolarHBondContact OE2-NZ 2.84Å; M261-K265 WeakPolarHBondContact O-CG 3.36Å; M261-K265 PolarHBondContact O-N 2.79Å; C262-K265 PolarHBondContact O-N 2.85Å; K265-F268 PolarHBondContact O-N 3.1Å; K265-Y269 WeakPolarHBondContact O-CB 3.3Å; K265-Y269 PolarHBondContact O-N 3.33Å; K265-A281 WeakPolarHBondContact CG-O 3.31Å
266G84.3Confident77.9Confident30 Ų3070.8 Ų70.831%0.30938%0.384SS..Hα-helixtrans-65.5-42177.800000113.4C262 L263 V264 Y269 H270C262-G266 PolarHBondContact O-N 3.47Å; L263-G266 PolarHBondContact O-N 3.42Å; V264-G266 VanDerWaalsContact C-N 3.33Å; V264-G266 PolarHBondContact O-N 2.85Å; G266-Y269 WeakPolarHBondContact O-CB 3.06Å; G266-Y269 PolarHBondContact O-N 3.26Å; G266-H270 PolarHBondContact O-CD2 3.19Å; G266-H270 VanDerWaalsContact O-CD2 3.29Å; G266-H270 PolarHBondContact O-N 3.49Å
267I82.6Confident76.4Confident60 Ų6072.6 Ų72.631%0.30842%0.416SS..Hα-helixtrans-64.6-45.5175-65.7163.6000110L263 V264 Y269 H270 C271 M302L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.33Å; L263-I267 PolarHBondContact O-N 3.44Å; V264-I267 PolarHBondContact O-N 3.05Å; I267-Y269 VanDerWaalsContact C-N 3.27Å; I267-Y269 PolarHBondContact O-N 3.47Å; I267-H270 PolarHBondContact O-N 3.07Å; I267-C271 WeakPolarHBondContact O-CB 3.17Å; I267-C271 PolarHBondContact O-N 3.35Å; I267-C271 PolarHBondContact O-SG 3.19Å; I267-M302 HydrophobicContact CD1-CE 3.87Å; I267-M302 HydrophobicContact CD1-SD 4.04Å
268F81.1Confident74.9Confident15 Ų1570.6 Ų70.67%0.06641%0.41CS..Hα-helixtrans-65.3-30.7176.2-76.3-46.3000113.3V264 K265 C271 S272 P284 R295 M299V264-F268 HydrophobicContact CG1-CD2 3.55Å; V264-F268 HydrophobicContact CG1-CE2 3.33Å; V264-F268 HydrophobicContact CG1-CZ 4.38Å; V264-F268 WeakPolarHBondContact O-CB 3.43Å; V264-F268 VanDerWaalsContact O-CD2 3.23Å; V264-F268 WeakPolarHBondContact O-CD2 2.97Å; V264-F268 PolarHBondContact O-N 2.88Å; K265-F268 PolarHBondContact O-N 3.1Å; F268-C271 PolarHBondContact O-N 3.43Å; F268-S272 VanDerWaalsContact O-CB 3.32Å; F268-S272 WeakPolarHBondContact O-CB 3.41Å; F268-S272 PolarHBondContact O-N 2.92Å; F268-P284 HydrophobicContact CD2-CB 4.15Å; F268-P284 HydrophobicContact CE2-CB 4.04Å; F268-R295 HydrophobicContact CE1-CB 4.42Å; F268-R295 HydrophobicContact CE1-CG 4.13Å; F268-R295 HydrophobicContact CZ-CB 4.25Å; F268-R295 HydrophobicContact CZ-CG 4.41Å; F268-M299 HydrophobicContact CE2-CG 3.78Å; F268-M299 HydrophobicContact CE2-SD 4.18Å; F268-M299 HydrophobicContact CZ-CG 3.8Å
269Y79Confident73.9Confident135 Ų13570.5 Ų70.553%0.52940%0.4SS..Hα-helixtrans-64-47.2172.6-177.7-104.3000111.2K265 G266 I267 C271 S272K265-Y269 WeakPolarHBondContact O-CB 3.3Å; K265-Y269 PolarHBondContact O-N 3.33Å; G266-Y269 WeakPolarHBondContact O-CB 3.06Å; G266-Y269 PolarHBondContact O-N 3.26Å; I267-Y269 VanDerWaalsContact C-N 3.27Å; I267-Y269 PolarHBondContact O-N 3.47Å; Y269-C271 VanDerWaalsContact C-N 3.35Å; Y269-C271 PolarHBondContact O-N 3.47Å; Y269-S272 PolarHBondContact O-N 3.05Å
270H78.3Confident72.4Confident161 Ų16170.6 Ų70.675%0.74540%0.401SS*.Hα-helixtrans-72.3-24.4177-76.5-63.1000114.6G266 I267G266-H270 PolarHBondContact O-CD2 3.19Å; G266-H270 VanDerWaalsContact O-CD2 3.29Å; G266-H270 PolarHBondContact O-N 3.49Å; I267-H270 PolarHBondContact O-N 3.07Å
271C70.1Confident71Confident97 Ų9770 Ų7066%0.65540%0.397SS*.Hα-helixtrans-90.9-10.9177.7-66.30000113.5I267 F268 Y269I267-C271 WeakPolarHBondContact O-CB 3.17Å; I267-C271 PolarHBondContact O-N 3.35Å; I267-C271 PolarHBondContact O-SG 3.19Å; F268-C271 PolarHBondContact O-N 3.43Å; Y269-C271 VanDerWaalsContact C-N 3.35Å; Y269-C271 PolarHBondContact O-N 3.47Å
272S68.1Low70Confident26 Ų2674.7 Ų74.718%0.18242%0.422CS..SBendtrans-81.7120.4172.2-161.80000107.5F268 Y269 D274F268-S272 VanDerWaalsContact O-CB 3.32Å; F268-S272 WeakPolarHBondContact O-CB 3.41Å; F268-S272 PolarHBondContact O-N 2.92Å; Y269-S272 PolarHBondContact O-N 3.05Å; S272-D274 PolarHBondContact O-N 2.73Å
273N58.8Low68.9Low114 Ų11478.6 Ų78.661%0.6144%0.436SS*.  trans-65.9125.6171.5-15649000107.8D275 E276N273-D275 PolarHBondContact ND2-OD2 3.07Å; N273-D275 VanDerWaalsContact ND2-OD2 3.12Å; N273-D275 PolarHBondContact O-N 3.22Å; N273-E276 PolarHBondContact O-N 3.4Å
274D59.4Low67.7Low138 Ų13875.1 Ų75.174%0.73842%0.418SS*.THydrogen-bonded Turntrans-61.9-9.4-172.7-82.8-60000114.2S272S272-D274 PolarHBondContact O-N 2.73Å
275D56.7Low66.5Low131 Ų13177.9 Ų77.970%0.70144%0.437SS*.THydrogen-bonded Turntrans-78.3-16.1-179.2-65.7-64.1000114.3N273N273-D275 PolarHBondContact ND2-OD2 3.07Å; N273-D275 VanDerWaalsContact ND2-OD2 3.12Å; N273-D275 PolarHBondContact O-N 3.22Å
276E56.4Low65.5Low121 Ų12178 Ų7857%0.56544%0.444SS*.SBendtrans-115100.1-176.2-54.8-73119.900108.7N273 D278N273-E276 PolarHBondContact O-N 3.4Å; E276-D278 PolarHBondContact O-N 2.93Å
277G54.6Low64.2Low86 Ų8682.7 Ų82.789%0.88746%0.461SS*.  trans-58.516.9-177.300000117.3S279G277-S279 PolarHBondContact O-N 3.31Å
278D54.6Low63Low93 Ų9385.3 Ų85.350%0.49749%0.485SS..  trans-92.674171.8-75.1-26.8000109.9E276 C280 R289E276-D278 PolarHBondContact O-N 2.93Å; D278-C280 PolarHBondContact O-N 3.04Å; D278-R289 VanDerWaalsContact CG-CZ 3.41Å; D278-R289 VanDerWaalsContact CG-NH2 3.33Å; D278-R289 PolarHBondContact O-NH1 3.03Å; D278-R289 IonicContact OD2-CZ 3.43Å; D278-R289 IonicContact OD2-NE 2.87Å; D278-R289 PolarHBondContact OD2-NE 2.89Å; D278-R289 IonicContact OD2-NH1 3.38Å; D278-R289 IonicContact OD2-NH2 2.67Å; D278-R289 PolarHBondContact OD2-NH2 2.94Å
279S64.1Low62Low55 Ų5588 Ų8839%0.38550%0.495SS..  trans-55.793.6177.6-177.30000111.4G277 A281 D282G277-S279 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact O-N 3Å; S279-D282 WeakPolarHBondContact CB-OD2 3.25Å; S279-D282 PolarHBondContact O-N 3.4Å; S279-D282 PolarHBondContact OG-OD2 3.42Å
280C56.6Low61Low10 Ų1086.9 Ų86.97%0.06851%0.507CS..THydrogen-bonded Turntrans-70.2-13.1177.1670000113.4D278 D282 H283D278-C280 PolarHBondContact O-N 3.04Å; C280-D282 VanDerWaalsContact C-N 3.31Å; C280-H283 CarbonylContact O-C 3.53Å
281A58.2Low60.3Low11 Ų1185 Ų859%0.09150%0.498CS..THydrogen-bonded Turntrans-67.2-31173.800000112.3K265 S279K265-A281 WeakPolarHBondContact CG-O 3.31Å; S279-A281 PolarHBondContact O-N 3Å
282D64.1Low60.1Low102 Ų10281.8 Ų81.855%0.54548%0.476SS..THydrogen-bonded Turntrans-77.6-29.5-176.9-67.5-51.6000112.6S279 C280S279-D282 WeakPolarHBondContact CB-OD2 3.25Å; S279-D282 PolarHBondContact O-N 3.4Å; S279-D282 PolarHBondContact OG-OD2 3.42Å; C280-D282 VanDerWaalsContact C-N 3.31Å
283H62.6Low60.3Low129 Ų12985.6 Ų85.660%0.59750%0.502SS*.  trans-13573-179.6-60.8-38.2000112.5C280 C285 S286C280-H283 CarbonylContact O-C 3.53Å; H283-C285 PolarHBondContact O-N 3.32Å; H283-C285 VanDerWaalsContact O-N 3.09Å; H283-S286 VanDerWaalsContact CB-OG 3.25Å; H283-S286 WeakPolarHBondContact CB-OG 3.48Å; H283-S286 PolarHBondContact O-N 3.3Å
284P61.1Low61.1Low7 Ų783.9 Ų83.95%0.04550%0.499CS..THydrogen-bonded Turntrans-62.5-21.9-178.525.2-34.5000112.9M261 F268 M299M261-P284 HydrophobicContact CE-CG 3.99Å; M261-P284 HydrophobicContact SD-CG 4.04Å; F268-P284 HydrophobicContact CD2-CB 4.15Å; F268-P284 HydrophobicContact CE2-CB 4.04Å; P284-M299 HydrophobicContact CB-CE 4.14Å; P284-M299 HydrophobicContact CB-SD 4.08Å; P284-M299 VanDerWaalsContact O-SD 3.33Å
285C61.2Low62Low65 Ų6579 Ų7944%0.43947%0.47SS..THydrogen-bonded Turntrans-99.48.9-178.3-50.70000114.7H283H283-C285 PolarHBondContact O-N 3.32Å; H283-C285 VanDerWaalsContact O-N 3.09Å
286S63Low63.2Low51 Ų5176.6 Ų76.636%0.35745%0.454SS..  trans-76.2126.9-178.5-80.70000112.5H283 S288H283-S286 VanDerWaalsContact CB-OG 3.25Å; H283-S286 WeakPolarHBondContact CB-OG 3.48Å; H283-S286 PolarHBondContact O-N 3.3Å; S286-S288 VanDerWaalsContact C-N 3.31Å; S286-S288 PolarHBondContact O-N 3.1Å
287L57.7Low64.5Low130 Ų13076.5 Ų76.568%0.68146%0.456SS*.  trans-81.1-2.7-178.4-71163.8000114.3R289 F296L287-R289 PolarHBondContact O-N 2.85Å; L287-F296 HydrophobicContact CD2-CE2 3.6Å; L287-F296 HydrophobicContact CD2-CZ 3.64Å; L287-F296 HydrophobicContact CG-CE2 4.48Å; L287-F296 HydrophobicContact CG-CZ 4.27Å
288S56.7Low65.7Low115 Ų11574.2 Ų74.280%0.80443%0.426SS*.  trans-90.715.4-159.5-27.70000116.3S286S286-S288 VanDerWaalsContact C-N 3.31Å; S286-S288 PolarHBondContact O-N 3.1Å
289R60Low67.1Low71 Ų7171.3 Ų71.327%0.26841%0.41SS..SBendtrans-133.2150.1-169.5-144.2162.2178.9-130.3-22.4113.3D278 L287 H291 C292 R295D278-R289 VanDerWaalsContact CG-CZ 3.41Å; D278-R289 VanDerWaalsContact CG-NH2 3.33Å; D278-R289 PolarHBondContact O-NH1 3.03Å; D278-R289 IonicContact OD2-CZ 3.43Å; D278-R289 IonicContact OD2-NE 2.87Å; D278-R289 PolarHBondContact OD2-NE 2.89Å; D278-R289 IonicContact OD2-NH1 3.38Å; D278-R289 IonicContact OD2-NH2 2.67Å; D278-R289 PolarHBondContact OD2-NH2 2.94Å; L287-R289 PolarHBondContact O-N 2.85Å; R289-H291 PolarHBondContact O-N 3.1Å; R289-C292 VanDerWaalsContact O-CB 3.25Å; R289-C292 WeakPolarHBondContact O-CB 3.29Å; R289-C292 PolarHBondContact O-N 3.46Å; R289-R295 VanDerWaalsContact NH1-NH2 3.11Å
290S58.9Low68Low112 Ų11270.6 Ų70.678%0.78341%0.411SS*.THydrogen-bonded Turntrans-54.6-21.1-177.950.10000115.2
291H63.1Low69.4Low120 Ų12075.4 Ų75.456%0.55644%0.435SS*.THydrogen-bonded Turntrans-10321177.3-65.6-82.6000114.4R289 C293 S294 R295R289-H291 PolarHBondContact O-N 3.1Å; H291-C293 PolarHBondContact O-N 3.36Å; H291-S294 PolarHBondContact O-N 3Å; H291-R295 PolarHBondContact O-N 3.34Å
292C66.8Low70.6Confident30 Ų3076.9 Ų76.920%0.20344%0.441CS..Hα-helixtrans-46.4-57.1178.5169.30000112.6R289 S294 R295 F296R289-C292 VanDerWaalsContact O-CB 3.25Å; R289-C292 WeakPolarHBondContact O-CB 3.29Å; R289-C292 PolarHBondContact O-N 3.46Å; C292-S294 PolarHBondContact O-N 3.23Å; C292-R295 PolarHBondContact O-N 3.48Å; C292-R295 VanDerWaalsContact O-N 3.15Å; C292-F296 WeakPolarHBondContact O-CD2 3.46Å; C292-F296 PolarHBondContact O-N 3.26Å; C292-F296 VanDerWaalsContact SG-CD2 3.52Å; C292-F296 WeakPolarHBondContact SG-CE2 3.48Å
293C71.2Confident71.7Confident107 Ų10772.9 Ų72.972%0.72342%0.421SS*.Hα-helixtrans-60.8-40.5-174.3-60.50000113.5H291 R295 F296 L297H291-C293 PolarHBondContact O-N 3.36Å; C293-R295 VanDerWaalsContact C-N 3.35Å; C293-R295 PolarHBondContact O-N 3.08Å; C293-F296 PolarHBondContact O-N 3.32Å; C293-L297 VanDerWaalsContact O-CB 3.3Å; C293-L297 WeakPolarHBondContact O-CB 3.27Å; C293-L297 PolarHBondContact O-N 3Å
294S76.6Confident72.7Confident78 Ų7872.5 Ų72.555%0.54543%0.427SS..Hα-helixtrans-65.7-38.4178.7179.70000111.7H291 C292 L297 C298H291-S294 PolarHBondContact O-N 3Å; C292-S294 PolarHBondContact O-N 3.23Å; S294-L297 PolarHBondContact O-N 3.33Å; S294-C298 VanDerWaalsContact O-CB 3.3Å; S294-C298 WeakPolarHBondContact O-CB 3.48Å; S294-C298 PolarHBondContact O-N 3.49Å
295R78.8Confident73.8Confident36 Ų3678 Ų7814%0.13646%0.456CS..Hα-helixtrans-66.7-46176.9-69.4-179177.1166.35.9112.1F268 R289 H291 C292 C293 L297 C298 M299F268-R295 HydrophobicContact CE1-CB 4.42Å; F268-R295 HydrophobicContact CE1-CG 4.13Å; F268-R295 HydrophobicContact CZ-CB 4.25Å; F268-R295 HydrophobicContact CZ-CG 4.41Å; R289-R295 VanDerWaalsContact NH1-NH2 3.11Å; H291-R295 PolarHBondContact O-N 3.34Å; C292-R295 PolarHBondContact O-N 3.48Å; C292-R295 VanDerWaalsContact O-N 3.15Å; C293-R295 VanDerWaalsContact C-N 3.35Å; C293-R295 PolarHBondContact O-N 3.08Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 2.07Å; R295-C298 PolarHBondContact O-N 3.15Å; R295-M299 WeakPolarHBondContact O-CB 3.34Å; R295-M299 VanDerWaalsContact O-CG 3.32Å; R295-M299 WeakPolarHBondContact O-CG 3.39Å; R295-M299 PolarHBondContact O-N 3.46Å
296F82.1Confident74.9Confident80 Ų8078.5 Ų78.535%0.35145%0.451SS..Hα-helixtrans-65.8-36.6176.7-75.3-73.4000112.2L287 C292 C293 M299 G300L287-F296 HydrophobicContact CD2-CE2 3.6Å; L287-F296 HydrophobicContact CD2-CZ 3.64Å; L287-F296 HydrophobicContact CG-CE2 4.48Å; L287-F296 HydrophobicContact CG-CZ 4.27Å; C292-F296 WeakPolarHBondContact O-CD2 3.46Å; C292-F296 PolarHBondContact O-N 3.26Å; C292-F296 VanDerWaalsContact SG-CD2 3.52Å; C292-F296 WeakPolarHBondContact SG-CE2 3.48Å; C293-F296 PolarHBondContact O-N 3.32Å; F296-M299 PolarHBondContact O-N 2.77Å; F296-G300 PolarHBondContact O-N 2.64Å
297L82.4Confident75.9Confident118 Ų11880.4 Ų80.462%0.61846%0.462SS*.Hα-helixtrans-64.8-45.5173.9-17467.3000111.4C293 S294 R295 G300 L301C293-L297 VanDerWaalsContact O-CB 3.3Å; C293-L297 WeakPolarHBondContact O-CB 3.27Å; C293-L297 PolarHBondContact O-N 3Å; S294-L297 PolarHBondContact O-N 3.33Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 2.07Å; L297-G300 PolarHBondContact O-N 3.16Å; L297-L301 HydrophobicContact CG-CD1 4.45Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 3.34Å
298C81.2Confident77.3Confident38 Ų3875.7 Ų75.726%0.25744%0.439SS..Hα-helixtrans-60.5-46.5175.2-176.90000111.5S294 R295 G300 L301 M302S294-C298 VanDerWaalsContact O-CB 3.3Å; S294-C298 WeakPolarHBondContact O-CB 3.48Å; S294-C298 PolarHBondContact O-N 3.49Å; R295-C298 PolarHBondContact O-N 3.15Å; C298-G300 VanDerWaalsContact C-N 3.31Å; C298-G300 PolarHBondContact O-N 2.99Å; C298-L301 PolarHBondContact O-N 3.43Å; C298-M302 VanDerWaalsContact O-CG 3.26Å; C298-M302 WeakPolarHBondContact O-CG 3.46Å; C298-M302 PolarHBondContact O-N 3.07Å
299M82.9Confident78.6Confident33 Ų3370.9 Ų70.916%0.16341%0.405CS..Hα-helixtrans-61.3-39.1174.4-71.1-173.777.700112.3M261 V264 F268 P284 R295 F296 M302 S303M261-M299 HydrophobicContact CE-CE 3.84Å; M261-M299 HydrophobicContact SD-CE 4.41Å; V264-M299 HydrophobicContact CG1-CE 4.31Å; V264-M299 HydrophobicContact CG1-CG 4.2Å; F268-M299 HydrophobicContact CE2-CG 3.78Å; F268-M299 HydrophobicContact CE2-SD 4.18Å; F268-M299 HydrophobicContact CZ-CG 3.8Å; P284-M299 HydrophobicContact CB-CE 4.14Å; P284-M299 HydrophobicContact CB-SD 4.08Å; P284-M299 VanDerWaalsContact O-SD 3.33Å; R295-M299 WeakPolarHBondContact O-CB 3.34Å; R295-M299 VanDerWaalsContact O-CG 3.32Å; R295-M299 WeakPolarHBondContact O-CG 3.39Å; R295-M299 PolarHBondContact O-N 3.46Å; F296-M299 PolarHBondContact O-N 2.77Å; M299-M302 PolarHBondContact O-N 3.15Å; M299-S303 WeakPolarHBondContact O-CB 3.18Å; M299-S303 PolarHBondContact O-N 3.48Å
300G84Confident79.8Confident39 Ų3973.1 Ų73.140%0.40242%0.421SS..Hα-helixtrans-63.5-43.4175.900000112.5F296 L297 C298 S303 V304F296-G300 PolarHBondContact O-N 2.64Å; L297-G300 PolarHBondContact O-N 3.16Å; C298-G300 VanDerWaalsContact C-N 3.31Å; C298-G300 PolarHBondContact O-N 2.99Å; G300-S303 WeakPolarHBondContact O-CB 3.33Å; G300-S303 PolarHBondContact O-N 3.49Å; G300-V304 PolarHBondContact O-N 3.03Å
301L86.1Confident81.1Confident111 Ų11170.9 Ų70.958%0.58141%0.405SS*.Hα-helixtrans-64.2-44.9175.1-70.5171000111.6L297 C298 S303 V304L297-L301 HydrophobicContact CG-CD1 4.45Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 3.34Å; C298-L301 PolarHBondContact O-N 3.43Å; L301-S303 PolarHBondContact O-N 3.26Å; L301-V304 WeakPolarHBondContact O-CB 3.4Å; L301-V304 PolarHBondContact O-N 3.17Å; L301-V304 VanDerWaalsContact O-N 3.11Å
302M82.6Confident82.3Confident42 Ų4265.5 Ų65.521%0.20738%0.38CS..Hα-helixtrans-63.6-30.3176.3-66-62.4169.500111.9I267 C298 M299 V304 L305 F306 L309I267-M302 HydrophobicContact CD1-CE 3.87Å; I267-M302 HydrophobicContact CD1-SD 4.04Å; C298-M302 VanDerWaalsContact O-CG 3.26Å; C298-M302 WeakPolarHBondContact O-CG 3.46Å; C298-M302 PolarHBondContact O-N 3.07Å; M299-M302 PolarHBondContact O-N 3.15Å; M302-V304 PolarHBondContact O-N 2.81Å; M302-L305 PolarHBondContact O-N 3.46Å; M302-L305 HydrophobicContact SD-CD1 4.24Å; M302-F306 WeakPolarHBondContact O-CB 3.38Å; M302-F306 PolarHBondContact O-N 3.34Å; M302-L309 HydrophobicContact CB-CD1 3.95Å
303S86.5Confident83.3Confident18 Ų1868.1 Ų68.113%0.12640%0.396CS..Hα-helixtrans-66.5-23.6175.7-171.60000114M299 G300 L301 F306 L310M299-S303 WeakPolarHBondContact O-CB 3.18Å; M299-S303 PolarHBondContact O-N 3.48Å; G300-S303 WeakPolarHBondContact O-CB 3.33Å; G300-S303 PolarHBondContact O-N 3.49Å; L301-S303 PolarHBondContact O-N 3.26Å; S303-F306 CarbonylContact O-C 3.47Å; S303-L310 WeakPolarHBondContact OG-CD2 3.27Å; S303-L310 WeakPolarHBondContact OG-CG 3.44Å
304V85Confident84Confident121 Ų12166.5 Ų66.573%0.73339%0.385SS*.Hα-helixtrans-74.7-37173.3179.80000110.4G300 L301 M302G300-V304 PolarHBondContact O-N 3.03Å; L301-V304 WeakPolarHBondContact O-CB 3.4Å; L301-V304 PolarHBondContact O-N 3.17Å; L301-V304 VanDerWaalsContact O-N 3.11Å; M302-V304 PolarHBondContact O-N 2.81Å
305L83.2Confident84.5Confident124 Ų12465.9 Ų65.965%0.64938%0.377SS*.Hα-helixtrans-77.9-33177.9-59.5176.3000112.3M302M302-L305 PolarHBondContact O-N 3.46Å; M302-L305 HydrophobicContact SD-CD1 4.24Å
306F84.2Confident84.9Confident75 Ų7568 Ų6833%0.32939%0.387SS..  trans-128.482.9-176.2-63-75.1000110C260 L263 M302 S303 C308 L309C260-F306 HydrophobicContact CB-CB 4.4Å; C260-F306 HydrophobicContact CB-CD1 4.43Å; L263-F306 HydrophobicContact CD1-CD1 4.24Å; L263-F306 HydrophobicContact CD1-CE1 3.74Å; L263-F306 HydrophobicContact CD1-CE2 4.37Å; L263-F306 HydrophobicContact CD1-CZ 3.82Å; M302-F306 WeakPolarHBondContact O-CB 3.38Å; M302-F306 PolarHBondContact O-N 3.34Å; S303-F306 CarbonylContact O-C 3.47Å; F306-C308 PolarHBondContact O-N 3.36Å; F306-C308 VanDerWaalsContact O-N 3.07Å; F306-L309 HydrophobicContact CB-CD1 3.8Å; F306-L309 HydrophobicContact CB-CG 4.03Å; F306-L309 WeakPolarHBondContact O-CB 3.24Å; F306-L309 PolarHBondContact O-N 3.45Å
307P84.7Confident85.1Confident90 Ų9066.1 Ų66.158%0.58439%0.391SS*.G310 helixtrans-61.3-21.2-178.424.2-34.1000113.2L309 L310P307-L309 PolarHBondContact O-N 2.99Å; P307-L309 VanDerWaalsContact O-N 3.16Å; P307-L310 PolarHBondContact O-N 2.83Å; P307-L310 VanDerWaalsContact O-N 3.15Å
308C86.7Confident85.4Confident31 Ų3164.1 Ų64.121%0.20939%0.386CS..G310 helixtrans-53.1-27.9170.344.60000113.5T259 C260 F306 L310 C311T259-C308 WeakPolarHBondContact CB-O 3.25Å; T259-C308 CarbonylContact O-C 3.35Å; C260-C308 HydrophobicContact CB-CB 4.34Å; C260-C308 WeakPolarHBondContact CB-SG 3.09Å; C260-C308 WeakPolarHBondContact SG-CB 3.43Å; C260-C308 CovalentContact SG-SG 2.07Å; C260-C308 PolarHBondContact SG-SG 3.15Å; F306-C308 PolarHBondContact O-N 3.36Å; F306-C308 VanDerWaalsContact O-N 3.07Å; C308-L310 VanDerWaalsContact C-N 3.32Å; C308-L310 PolarHBondContact O-N 3.21Å; C308-C311 WeakPolarHBondContact O-CB 3.25Å; C308-C311 PolarHBondContact O-N 3.32Å
309L84.5Confident85.6Confident15 Ų1564.3 Ų64.38%0.07938%0.384CS..G310 helixtrans-67.2-30.5179.7-71169.9000112.8T259 C260 M261 V264 M302 F306 P307 C311 Y312 P313T259-L309 WeakPolarHBondContact O-CA 3.42Å; T259-L309 VanDerWaalsContact O-CD2 3.25Å; T259-L309 WeakPolarHBondContact O-CD2 3.09Å; T259-L309 PolarHBondContact O-N 2.96Å; C260-L309 HydrophobicContact CB-CD2 4.44Å; M261-L309 HydrophobicContact CB-CD2 4.44Å; M261-L309 HydrophobicContact SD-CD2 4.46Å; V264-L309 HydrophobicContact CG2-CD1 3.68Å; V264-L309 HydrophobicContact CG2-CD2 3.59Å; V264-L309 HydrophobicContact CG2-CG 4.32Å; M302-L309 HydrophobicContact CB-CD1 3.95Å; F306-L309 HydrophobicContact CB-CD1 3.8Å; F306-L309 HydrophobicContact CB-CG 4.03Å; F306-L309 WeakPolarHBondContact O-CB 3.24Å; F306-L309 PolarHBondContact O-N 3.45Å; P307-L309 PolarHBondContact O-N 2.99Å; P307-L309 VanDerWaalsContact O-N 3.16Å; L309-C311 PolarHBondContact O-N 3.31Å; L309-Y312 VanDerWaalsContact O-CB 3.27Å; L309-Y312 WeakPolarHBondContact O-CB 3.48Å; L309-Y312 PolarHBondContact O-N 2.8Å; L309-P313 WeakPolarHBondContact O-CD 3.07Å
310L84.2Confident85.9Confident117 Ų11769.2 Ų69.261%0.61341%0.405SS*.G310 helixtrans-66.1-24.8175.8-64.4176.9000112.1S303 P307 C308 Y312 P313 P314S303-L310 WeakPolarHBondContact OG-CD2 3.27Å; S303-L310 WeakPolarHBondContact OG-CG 3.44Å; P307-L310 PolarHBondContact O-N 2.83Å; P307-L310 VanDerWaalsContact O-N 3.15Å; C308-L310 VanDerWaalsContact C-N 3.32Å; C308-L310 PolarHBondContact O-N 3.21Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; L310-P313 WeakPolarHBondContact O-CD 3.24Å; L310-P314 WeakPolarHBondContact O-CD 3.36Å
311C87.6Confident86Confident66 Ų6670.1 Ų70.145%0.44641%0.408SS..G310 helixtrans-78.3-14.7175.2-560000112.1C308 L309 P314 V315C308-C311 WeakPolarHBondContact O-CB 3.25Å; C308-C311 PolarHBondContact O-N 3.32Å; L309-C311 PolarHBondContact O-N 3.31Å; C311-P314 WeakPolarHBondContact O-CD 3.33Å; C311-P314 WeakPolarHBondContact O-CG 3.14Å; C311-V315 HydrophobicContact CB-CG2 4.42Å; C311-V315 VanDerWaalsContact O-CB 3.25Å; C311-V315 WeakPolarHBondContact O-CB 3.44Å; C311-V315 WeakPolarHBondContact O-CG2 3.47Å; C311-V315 PolarHBondContact O-N 3.35Å; C311-V315 VanDerWaalsContact O-N 3.1Å
312Y87.4Confident86Confident7 Ų768.2 Ų68.23%0.02740%0.404CS..Hα-helixtrans-63.1-53.4-179.9178.6-91.5000113.7L255 E256 T259 M261 L309 L310 K316L255-Y312 HydrophobicContact CD2-CD2 3.17Å; L255-Y312 HydrophobicContact CD2-CE2 3.15Å; L255-Y312 HydrophobicContact CD2-CG 4.27Å; L255-Y312 HydrophobicContact CG-CD2 4.4Å; E256-Y312 HydrophobicContact CG-CE2 4.28Å; T259-Y312 HydrophobicContact CG2-CD2 4.31Å; T259-Y312 VanDerWaalsContact OG1-CD2 3.25Å; T259-Y312 WeakPolarHBondContact OG1-CD2 3.46Å; M261-Y312 HydrophobicContact CB-CD2 3.65Å; M261-Y312 HydrophobicContact CB-CE2 3.69Å; M261-Y312 HydrophobicContact CB-CG 4.37Å; M261-Y312 HydrophobicContact CE-CD1 3.25Å; M261-Y312 HydrophobicContact CE-CD2 4.04Å; M261-Y312 HydrophobicContact CE-CE1 3.16Å; M261-Y312 HydrophobicContact CE-CE2 3.97Å; M261-Y312 HydrophobicContact CE-CG 3.68Å; M261-Y312 HydrophobicContact CG-CD2 3.9Å; M261-Y312 HydrophobicContact CG-CE1 4.44Å; M261-Y312 HydrophobicContact CG-CE2 3.52Å; M261-Y312 HydrophobicContact CG-CG 4.46Å; L309-Y312 VanDerWaalsContact O-CB 3.27Å; L309-Y312 WeakPolarHBondContact O-CB 3.48Å; L309-Y312 PolarHBondContact O-N 2.8Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; Y312-K316 HydrophobicContact CD1-CD 4.31Å; Y312-K316 HydrophobicContact CE1-CD 3.46Å; Y312-K316 VanDerWaalsContact CE1-CD 3.46Å; Y312-K316 HydrophobicContact CE2-CD 4.24Å; Y312-K316 VanDerWaalsContact CZ-CD 3.46Å; Y312-K316 WeakPolarHBondContact O-CB 3.25Å; Y312-K316 PolarHBondContact O-N 3.18Å; Y312-K316 WeakPolarHBondContact OH-CD 3.49Å; Y312-K316 PolarHBondContact OH-NZ 3.26Å
313P86.9Confident86.3Confident84 Ų8468.7 Ų68.755%0.54541%0.405SS..Hα-helixtrans-56.9-50.1178.9-19.929.5000114.4L309 L310 G317L309-P313 WeakPolarHBondContact O-CD 3.07Å; L310-P313 WeakPolarHBondContact O-CD 3.24Å; P313-G317 PolarHBondContact O-N 3.09Å
314P87.5Confident86.2Confident73 Ų7369.3 Ų69.347%0.47442%0.415SS..Hα-helixtrans-66.8-44.9-178.825.1-32.5000111.5L310 C311 K316 G317 C318L310-P314 WeakPolarHBondContact O-CD 3.36Å; C311-P314 WeakPolarHBondContact O-CD 3.33Å; C311-P314 WeakPolarHBondContact O-CG 3.14Å; P314-K316 VanDerWaalsContact C-N 3.35Å; P314-K316 PolarHBondContact O-N 2.92Å; P314-G317 PolarHBondContact O-N 3.31Å; P314-C318 PolarHBondContact O-N 3.41Å; P314-C318 PolarHBondContact O-SG 3.29Å
315V85.7Confident86.2Confident65 Ų6567.6 Ų67.639%0.39441%0.407SS..Hα-helixtrans-67.3-37.5-179-175.90000110.7L255 C311 G317 C318 L319L255-V315 HydrophobicContact CD1-CB 3.92Å; L255-V315 HydrophobicContact CD1-CG1 3.51Å; L255-V315 HydrophobicContact CG-CG1 4.26Å; C311-V315 HydrophobicContact CB-CG2 4.42Å; C311-V315 VanDerWaalsContact O-CB 3.25Å; C311-V315 WeakPolarHBondContact O-CB 3.44Å; C311-V315 WeakPolarHBondContact O-CG2 3.47Å; C311-V315 PolarHBondContact O-N 3.35Å; C311-V315 VanDerWaalsContact O-N 3.1Å; V315-G317 VanDerWaalsContact C-N 3.34Å; V315-G317 PolarHBondContact O-N 3.46Å; V315-C318 WeakPolarHBondContact O-CB 3.45Å; V315-C318 PolarHBondContact O-N 3.49Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å; V315-L319 PolarHBondContact O-N 3.43Å
316K87.8Confident86.4Confident80 Ų8065.4 Ų65.435%0.34839%0.391SS..Hα-helixtrans-66.2-37.3174.6-174.8171.1-175.3179.50111.8L255 Y312 P314 L319 K320L255-K316 HydrophobicContact CD1-CB 4.09Å; Y312-K316 HydrophobicContact CD1-CD 4.31Å; Y312-K316 HydrophobicContact CE1-CD 3.46Å; Y312-K316 VanDerWaalsContact CE1-CD 3.46Å; Y312-K316 HydrophobicContact CE2-CD 4.24Å; Y312-K316 VanDerWaalsContact CZ-CD 3.46Å; Y312-K316 WeakPolarHBondContact O-CB 3.25Å; Y312-K316 PolarHBondContact O-N 3.18Å; Y312-K316 WeakPolarHBondContact OH-CD 3.49Å; Y312-K316 PolarHBondContact OH-NZ 3.26Å; P314-K316 VanDerWaalsContact C-N 3.35Å; P314-K316 PolarHBondContact O-N 2.92Å; K316-L319 PolarHBondContact O-N 2.89Å; K316-K320 PolarHBondContact O-N 2.84Å
317G87.1Confident86.5Confident41 Ų4162.6 Ų62.642%0.42338%0.379SS..Hα-helixtrans-60.7-48.5170.700000111.8P313 P314 V315 L319 K320 A321P313-G317 PolarHBondContact O-N 3.09Å; P314-G317 PolarHBondContact O-N 3.31Å; V315-G317 VanDerWaalsContact C-N 3.34Å; V315-G317 PolarHBondContact O-N 3.46Å; G317-L319 PolarHBondContact O-N 2.94Å; G317-K320 PolarHBondContact O-N 3.18Å; G317-A321 WeakPolarHBondContact O-CB 3.33Å; G317-A321 PolarHBondContact O-N 3.27Å
318C86.9Confident86.4Confident76 Ų7665 Ų6551%0.51438%0.376SS..Hα-helixtrans-58.2-46.2175.2-67.10000111.7P314 V315 K320 A321 C322P314-C318 PolarHBondContact O-N 3.41Å; P314-C318 PolarHBondContact O-SG 3.29Å; V315-C318 WeakPolarHBondContact O-CB 3.45Å; V315-C318 PolarHBondContact O-N 3.49Å; C318-K320 PolarHBondContact O-N 3.05Å; C318-A321 PolarHBondContact O-N 3.29Å; C318-C322 WeakPolarHBondContact O-CB 3.48Å; C318-C322 PolarHBondContact O-N 2.65Å; C318-C322 PolarHBondContact O-SG 3.28Å
319L86.4Confident86.3Confident42 Ų4269.7 Ų69.722%0.2240%0.404CS..Hα-helixtrans-60.9-42.6177.3-74.1-170.8000112.4A251 L255 V315 K316 G317 C322 Q323A251-L319 HydrophobicContact CB-CD1 4.15Å; A251-L319 HydrophobicContact CB-CD2 4.22Å; L255-L319 HydrophobicContact CB-CD1 4.02Å; L255-L319 HydrophobicContact CD1-CD1 3.39Å; L255-L319 HydrophobicContact CD1-CG 4.02Å; L255-L319 HydrophobicContact CG-CD1 4.32Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å; V315-L319 PolarHBondContact O-N 3.43Å; K316-L319 PolarHBondContact O-N 2.89Å; G317-L319 PolarHBondContact O-N 2.94Å; L319-C322 PolarHBondContact O-N 3.48Å; L319-Q323 VanDerWaalsContact O-CB 3.29Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 PolarHBondContact O-N 3.21Å
320K88.1Confident86.1Confident137 Ų13772.9 Ų72.960%0.59642%0.421SS*.Hα-helixtrans-68.6-35.1176.3-75.3-152.5171178.90113K316 G317 C318 G324K316-K320 PolarHBondContact O-N 2.84Å; G317-K320 PolarHBondContact O-N 3.18Å; C318-K320 PolarHBondContact O-N 3.05Å; K320-G324 PolarHBondContact O-N 2.81Å
321A87.8Confident86Confident58 Ų5869.2 Ų69.248%0.47940%0.399SS..Hα-helixtrans-65-46.7172.400000110.9G317 C318 G324 C325G317-A321 WeakPolarHBondContact O-CB 3.33Å; G317-A321 PolarHBondContact O-N 3.27Å; C318-A321 PolarHBondContact O-N 3.29Å; A321-G324 CarbonylContact O-C 3.48Å; A321-G324 WeakPolarHBondContact O-CA 3.4Å; A321-G324 PolarHBondContact O-N 3.38Å; A321-C325 PolarHBondContact O-N 3.44Å; A321-C325 PolarHBondContact O-SG 2.88Å; A321-C325 VanDerWaalsContact O-SG 3.38Å
322C85.6Confident85.7Confident71 Ų7169.5 Ų69.548%0.4840%0.4SS..Hα-helixtrans-61.9-43.6175.8-69.40000112C318 L319 G324 C325 Y326C318-C322 WeakPolarHBondContact O-CB 3.48Å; C318-C322 PolarHBondContact O-N 2.65Å; C318-C322 PolarHBondContact O-SG 3.28Å; L319-C322 PolarHBondContact O-N 3.48Å; C322-G324 VanDerWaalsContact C-N 3.31Å; C322-G324 PolarHBondContact O-N 3.11Å; C322-C325 PolarHBondContact O-N 2.93Å; C322-Y326 VanDerWaalsContact O-CB 3.24Å; C322-Y326 WeakPolarHBondContact O-CB 3.3Å; C322-Y326 PolarHBondContact O-N 3.45Å
323Q88.1Confident85.7Confident51 Ų5169.1 Ų69.124%0.23840%0.399CS..Hα-helixtrans-62-41.3173.4-176.4178.2400111L237 L319 Y326 D327L237-Q323 HydrophobicContact CD1-CB 4.14Å; L237-Q323 HydrophobicContact CG-CB 4.01Å; L237-Q323 HydrophobicContact CG-CG 4.26Å; L319-Q323 VanDerWaalsContact O-CB 3.29Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 PolarHBondContact O-N 3.21Å; Q323-Y326 PolarHBondContact O-N 3.4Å; Q323-D327 VanDerWaalsContact O-CB 3.31Å; Q323-D327 WeakPolarHBondContact O-CB 3.43Å; Q323-D327 PolarHBondContact O-N 2.87Å
324G84.6Confident85.7Confident32 Ų3265.8 Ų65.833%0.3338%0.377SS..Hα-helixtrans-58.5-52.4172.500000111.5K320 A321 C322 Y326 D327 R328K320-G324 PolarHBondContact O-N 2.81Å; A321-G324 CarbonylContact O-C 3.48Å; A321-G324 WeakPolarHBondContact O-CA 3.4Å; A321-G324 PolarHBondContact O-N 3.38Å; C322-G324 VanDerWaalsContact C-N 3.31Å; C322-G324 PolarHBondContact O-N 3.11Å; G324-Y326 VanDerWaalsContact C-N 3.35Å; G324-Y326 PolarHBondContact O-N 3.21Å; G324-D327 PolarHBondContact O-N 3.48Å; G324-R328 WeakPolarHBondContact O-CB 3.1Å; G324-R328 WeakPolarHBondContact O-CG 3.32Å; G324-R328 PolarHBondContact O-N 3.44Å
325C85.9Confident85.7Confident84 Ų8468 Ų6857%0.56838%0.376SS*.Hα-helixtrans-60.4-42.7176.8-700000112.2A321 C322 R328 V329A321-C325 PolarHBondContact O-N 3.44Å; A321-C325 PolarHBondContact O-SG 2.88Å; A321-C325 VanDerWaalsContact O-SG 3.38Å; C322-C325 PolarHBondContact O-N 2.93Å; C325-R328 WeakPolarHBondContact O-CB 3.45Å; C325-R328 PolarHBondContact O-N 3.28Å; C325-R328 VanDerWaalsContact O-N 3.15Å; C325-V329 WeakPolarHBondContact O-CG2 3.26Å; C325-V329 PolarHBondContact O-N 3.31Å
326Y86.1Confident85.7Confident79 Ų7967.1 Ų67.131%0.3137%0.372SS..Hα-helixtrans-62-46.9177.2-178.9-101.1000111.5R235 L237 C322 Q323 G324 R328 V329 N330R235-Y326 HydrophobicContact CB-CD1 4.44Å; R235-Y326 HydrophobicContact CB-CE1 4.2Å; L237-Y326 HydrophobicContact CD2-CD1 4.37Å; L237-Y326 HydrophobicContact CD2-CG 4.18Å; C322-Y326 VanDerWaalsContact O-CB 3.24Å; C322-Y326 WeakPolarHBondContact O-CB 3.3Å; C322-Y326 PolarHBondContact O-N 3.45Å; Q323-Y326 PolarHBondContact O-N 3.4Å; G324-Y326 VanDerWaalsContact C-N 3.35Å; G324-Y326 PolarHBondContact O-N 3.21Å; Y326-R328 VanDerWaalsContact C-N 3.27Å; Y326-R328 PolarHBondContact O-N 2.83Å; Y326-V329 PolarHBondContact O-N 3.48Å; Y326-N330 HydrophobicContact CD2-CB 4.47Å; Y326-N330 HydrophobicContact CE1-CB 4.26Å; Y326-N330 HydrophobicContact CE2-CB 4.14Å; Y326-N330 VanDerWaalsContact O-CB 3.3Å; Y326-N330 WeakPolarHBondContact O-CB 3.23Å; Y326-N330 PolarHBondContact O-N 2.86Å; Y326-N330 PolarHBondContact OH-ND2 3.34Å
327D86.9Confident85.5Confident16 Ų1672.9 Ų72.99%0.08640%0.397CS..Hα-helixtrans-60-39.5172.8177.666000111.4P234 R235 Q323 G324 V329 R331P234-D327 VanDerWaalsContact CA-OD1 3.24Å; P234-D327 WeakPolarHBondContact CA-OD1 3.46Å; R235-D327 PolarHBondContact N-OD1 3.06Å; Q323-D327 VanDerWaalsContact O-CB 3.31Å; Q323-D327 WeakPolarHBondContact O-CB 3.43Å; Q323-D327 PolarHBondContact O-N 2.87Å; G324-D327 PolarHBondContact O-N 3.48Å; D327-V329 VanDerWaalsContact C-N 3.28Å; D327-V329 PolarHBondContact O-N 3.35Å; D327-R331 WeakPolarHBondContact O-CB 3.32Å; D327-R331 PolarHBondContact O-N 3.06Å; D327-R331 VanDerWaalsContact O-N 3.12Å; D327-R331 IonicContact OD1-CZ 3.95Å; D327-R331 IonicContact OD1-NE 2.77Å; D327-R331 PolarHBondContact OD1-NE 3.49Å; D327-R331 IonicContact OD1-NH1 3.4Å; D327-R331 IonicContact OD2-CZ 2.64Å; D327-R331 IonicContact OD2-NE 2.92Å; D327-R331 IonicContact OD2-NH1 3.51Å; D327-R331 PolarHBondContact OD2-NH1 2.88Å
328R83.3Confident85.2Confident140 Ų14077.2 Ų77.253%0.52841%0.41SS..Hα-helixtrans-64.1-34.2179.7-67.9-79.3-174.1-145.77.2112.7G324 C325 Y326 R335G324-R328 WeakPolarHBondContact O-CB 3.1Å; G324-R328 WeakPolarHBondContact O-CG 3.32Å; G324-R328 PolarHBondContact O-N 3.44Å; C325-R328 WeakPolarHBondContact O-CB 3.45Å; C325-R328 PolarHBondContact O-N 3.28Å; C325-R328 VanDerWaalsContact O-N 3.15Å; Y326-R328 VanDerWaalsContact C-N 3.27Å; Y326-R328 PolarHBondContact O-N 2.83Å; R328-R335 VanDerWaalsContact NH1-CZ 3.33Å; R328-R335 PolarHBondContact O-NH1 2.92Å; R328-R335 VanDerWaalsContact O-NH1 3.12Å
329V83.6Confident84.9Confident129 Ų12974.2 Ų74.278%0.78239%0.39SS*.Hα-helixtrans-90.5-45.4-177175.60000111.9C325 Y326 D327C325-V329 WeakPolarHBondContact O-CG2 3.26Å; C325-V329 PolarHBondContact O-N 3.31Å; Y326-V329 PolarHBondContact O-N 3.48Å; D327-V329 VanDerWaalsContact C-N 3.28Å; D327-V329 PolarHBondContact O-N 3.35Å
330N80.1Confident84.8Confident82 Ų8277.7 Ų77.744%0.43941%0.409SS..Hα-helixtrans-94.7-6.8-169.9-163.150000114Y326 P332Y326-N330 HydrophobicContact CD2-CB 4.47Å; Y326-N330 HydrophobicContact CE1-CB 4.26Å; Y326-N330 HydrophobicContact CE2-CB 4.14Å; Y326-N330 VanDerWaalsContact O-CB 3.3Å; Y326-N330 WeakPolarHBondContact O-CB 3.23Å; Y326-N330 PolarHBondContact O-N 2.86Å; Y326-N330 PolarHBondContact OH-ND2 3.34Å; N330-P332 VanDerWaalsContact O-CD 3.29Å; N330-P332 WeakPolarHBondContact O-CD 3.36Å
331R83.2Confident84.6Confident40 Ų4074.2 Ų74.215%0.15140%0.4CS..  trans-70.4120.5177.9-175-174.8-112.6157.7-20.2110.4C231 T232 A233 P234 D327 G333C231-R331 WeakPolarHBondContact O-CG 3.45Å; T232-R331 PolarHBondContact O-NE 3.23Å; T232-R331 PolarHBondContact O-NH2 3.25Å; A233-R331 VanDerWaalsContact C-NH2 3.34Å; A233-R331 PolarHBondContact O-NE 3.28Å; P234-R331 VanDerWaalsContact CA-NH2 3.28Å; D327-R331 WeakPolarHBondContact O-CB 3.32Å; D327-R331 PolarHBondContact O-N 3.06Å; D327-R331 VanDerWaalsContact O-N 3.12Å; D327-R331 IonicContact OD1-CZ 3.95Å; D327-R331 IonicContact OD1-NE 2.77Å; D327-R331 PolarHBondContact OD1-NE 3.49Å; D327-R331 IonicContact OD1-NH1 3.4Å; D327-R331 IonicContact OD2-CZ 2.64Å; D327-R331 IonicContact OD2-NE 2.92Å; D327-R331 IonicContact OD2-NH1 3.51Å; D327-R331 PolarHBondContact OD2-NH1 2.88Å; R331-G333 VanDerWaalsContact C-N 3.34Å; R331-G333 PolarHBondContact O-N 2.95Å
332P81.3Confident84.5Confident72 Ų7274.5 Ų74.547%0.46840%0.395SS..  trans-76.3-21.3-176.629.7-34.2000113.1N330N330-P332 VanDerWaalsContact O-CD 3.29Å; N330-P332 WeakPolarHBondContact O-CD 3.36Å
333G86.3Confident84.3Confident0 Ų076.8 Ų76.80%040%0.395CS..SBendtrans-81.6173.5-174.700000116.7K225 C226 C231 R331K225-G333 WeakPolarHBondContact CD-O 3.33Å; C226-G333 CarbonylContact O-C 3.49Å; C226-G333 WeakPolarHBondContact O-CA 3.15Å; C231-G333 VanDerWaalsContact O-CA 3.22Å; C231-G333 WeakPolarHBondContact O-CA 3.38Å; C231-G333 PolarHBondContact O-N 3.45Å; R331-G333 VanDerWaalsContact C-N 3.34Å; R331-G333 PolarHBondContact O-N 2.95Å
334C88.5Confident83.6Confident13 Ų1377 Ų779%0.08840%0.401CS..  trans-69146.1177.41730000112.3C220 K225 C226 K227 C336C220-C334 HydrophobicContact CB-CB 3.7Å; C220-C334 WeakPolarHBondContact CB-SG 3.33Å; C220-C334 PolarHBondContact SG-SG 3.49Å; K225-C334 HydrophobicContact CB-CB 4.03Å; C226-C334 PolarHBondContact O-N 3.47Å; K227-C334 HydrophobicContact CG-CB 3.62Å; C334-C336 PolarHBondContact SG-N 3.32Å
335R85.9Confident82.8Confident121 Ų12182.7 Ų82.746%0.45742%0.416SS..  trans-125.36177.8-65.8177.352.9-155.1-17.6113.9R328 K337R328-R335 VanDerWaalsContact NH1-CZ 3.33Å; R328-R335 PolarHBondContact O-NH1 2.92Å; R328-R335 VanDerWaalsContact O-NH1 3.12Å; R335-K337 PolarHBondContact O-N 3.31Å
336C87.4Confident81.5Confident45 Ų4586.2 Ų86.230%0.30443%0.429SS..  trans-73.5121.3-177.8-62.40000110.5C334 N338 S339C334-C336 PolarHBondContact SG-N 3.32Å; C336-N338 PolarHBondContact O-N 2.68Å; C336-S339 WeakPolarHBondContact CB-OG 3.32Å; C336-S339 PolarHBondContact O-OG 3.49Å
337K82.9Confident79.7Confident201 Ų20189.9 Ų89.987%0.87445%0.449SS*.THydrogen-bonded Turntrans-67-28.7-173.8-71.8-178.1176.5-177.40114.5R335R335-K337 PolarHBondContact O-N 3.31Å
338N79.5Confident77.8Confident133 Ų13394.5 Ų94.571%0.71148%0.483SS*.THydrogen-bonded Turntrans-134.135-174.9-65.3-11000113.7R222 C336R222-N338 VanDerWaalsContact NH2-C 3.31Å; R222-N338 PolarHBondContact NH2-O 2.95Å; C336-N338 PolarHBondContact O-N 2.68Å
339S81.4Confident75.8Confident13 Ų1399.2 Ų99.29%0.09150%0.501CS..  trans-87.5140.2-177.650.80000112.1C220 K227 C336C220-S339 WeakPolarHBondContact SG-CB 3.36Å; C220-S339 PolarHBondContact SG-OG 3.4Å; K227-S339 WeakPolarHBondContact CE-OG 3.3Å; K227-S339 PolarHBondContact NZ-O 2.67Å; K227-S339 PolarHBondContact NZ-OG 2.87Å; C336-S339 WeakPolarHBondContact CB-OG 3.32Å; C336-S339 PolarHBondContact O-OG 3.49Å
340N83.5Confident73.8Confident114 Ų11496.8 Ų96.861%0.6149%0.494SS*.  trans-63.4154.5163.2-72.1-27.5000110.3E221E221-N340 HydrophobicContact CG-CB 4.28Å; E221-N340 PolarHBondContact N-O 3.29Å; E221-N340 VanDerWaalsContact N-O 3.15Å; E221-N340 VanDerWaalsContact OE2-CB 3.25Å; E221-N340 WeakPolarHBondContact OE2-CB 3.39Å
341T85.8Confident72Confident65 Ų6598.3 Ų98.340%0.39951%0.508SS..EExtended strand (participates in β ladder)trans-117.5120.1-177-51.90000108.1F218 I219 K227F218-T341 HydrophobicContact CB-CG2 3.63Å; F218-T341 HydrophobicContact CD1-CG2 3.89Å; F218-T341 HydrophobicContact CG-CG2 4.25Å; I219-T341 CarbonylContact O-C 3.46Å; I219-T341 WeakPolarHBondContact O-CA 3.31Å; K227-T341 HydrophobicContact CD-CG2 3.89Å; K227-T341 WeakPolarHBondContact CD-OG1 3.38Å; K227-T341 PolarHBondContact NZ-OG1 3.15Å
342V83.7Confident70.1Confident64 Ų64105.3 Ų105.339%0.38854%0.542SS..EExtended strand (participates in β ladder)trans-86.4140.4170.8-161.10000108.9I219 E221I219-V342 PolarHBondContact N-O 2.63Å; I219-V342 PolarHBondContact O-N 3.38Å; E221-V342 HydrophobicContact CB-CG2 4.4Å; E221-V342 HydrophobicContact CG-CG2 3.11Å; E221-V342 WeakPolarHBondContact OE1-CG2 3.3Å
343Y82.1Confident68.2Low119 Ų119107.1 Ų107.147%0.46756%0.557SS.*EExtended strand (participates in β ladder)trans-86.6109.5167.3-176.4-97.7000109.5Q217 F218 K345Q217-Y343 HydrophobicContact CB-CD2 3.96Å; Q217-Y343 HydrophobicContact CB-CE2 3.6Å; Q217-Y343 VanDerWaalsContact CD-OH 3.28Å; Q217-Y343 HydrophobicContact CG-CE2 4.25Å; Q217-Y343 CarbonylContact O-C 3.6Å; Q217-Y343 WeakPolarHBondContact O-CA 3.44Å; Q217-Y343 PolarHBondContact OE1-OH 3.48Å; F218-Y343 HydrophobicContact CE1-CD2 4.24Å; Y343-K345 HydrophobicContact CD1-CB 4.08Å; Y343-K345 HydrophobicContact CE1-CB 3.78Å; Y343-K345 HydrophobicContact CE1-CG 4.21Å; Y343-K345 PolarHBondContact O-N 3.44Å
344C73.4Confident66.2Low55 Ų55115.8 Ų115.837%0.37260%0.597SS.*  trans-80.696.3170.4-75.20000108.9Q217 I219 L346Q217-C344 PolarHBondContact O-N 3.24Å; I219-C344 HydrophobicContact CG1-CB 4.15Å; I219-C344 VanDerWaalsContact CG1-SG 3.52Å; C344-L346 PolarHBondContact O-N 3.39Å
345K67.4Low64.1Low151 Ų151124.3 Ų124.366%0.65764%0.636SS**  trans-73.8102.2163.3-164.8178.1-177.7-174.90106.9Y343 E347Y343-K345 HydrophobicContact CD1-CB 4.08Å; Y343-K345 HydrophobicContact CE1-CB 3.78Å; Y343-K345 HydrophobicContact CE1-CG 4.21Å; Y343-K345 PolarHBondContact O-N 3.44Å; K345-E347 PolarHBondContact O-N 3.36Å
346L59.1Low62Low159 Ų159127.2 Ų127.283%0.83265%0.652SS**  trans-65.494.7165-118.485.9000106.2C344 S348C344-L346 PolarHBondContact O-N 3.39Å; L346-S348 PolarHBondContact O-N 2.98Å; L346-S348 VanDerWaalsContact O-N 3.07Å
347E47.7Very low60.4Low156 Ų156130.7 Ų130.773%0.72967%0.674SS**  trans-65.7108163.4-75.7-173.214900106.3K345 W349K345-E347 PolarHBondContact O-N 3.36Å; E347-W349 PolarHBondContact O-N 3.02Å
348S47Very low58.8Low113 Ų113129.9 Ų129.979%0.7969%0.694SS**  trans-56.8103.2168.850.70000107.4L346 A350L346-S348 PolarHBondContact O-N 2.98Å; L346-S348 VanDerWaalsContact O-N 3.07Å; S348-A350 VanDerWaalsContact C-N 3.32Å; S348-A350 PolarHBondContact O-N 3.35Å
349W42.4Very low57.7Low239 Ų239129.8 Ų129.891%0.90569%0.693SS**  trans-62.696.1172.8-166.8-80.5000107.8E347 P351E347-W349 PolarHBondContact O-N 3.02Å; W349-P351 WeakPolarHBondContact O-CD 3.25Å
350A42Very low56.5Low77 Ų77135.9 Ų135.964%0.63673%0.725SS**  trans-64.9125.5166.200000106.7S348 Q352S348-A350 VanDerWaalsContact C-N 3.32Å; S348-A350 PolarHBondContact O-N 3.35Å; A350-Q352 PolarHBondContact O-N 3Å
351P42.4Very low55Low114 Ų114137.1 Ų137.174%0.7473%0.731SS**  trans-61.6109.9169.624.2-29.3000107W349 S353W349-P351 WeakPolarHBondContact O-CD 3.25Å; P351-S353 VanDerWaalsContact C-N 3.29Å; P351-S353 PolarHBondContact O-N 3.47Å
352Q42.8Very low53.2Low187 Ų187141.4 Ų141.487%0.87475%0.751SS**  trans-57.899.8164.9-101.7-168.9-400106.7A350 Q354A350-Q352 PolarHBondContact O-N 3Å; Q352-Q354 PolarHBondContact O-N 3.19Å; Q352-Q354 VanDerWaalsContact O-N 3.09Å
353S41.7Very low51.3Low111 Ų111146.2 Ų146.278%0.77677%0.773SS**  trans-60.7110.3157.850.60000106.1P351 E355P351-S353 VanDerWaalsContact C-N 3.29Å; P351-S353 PolarHBondContact O-N 3.47Å; S353-E355 PolarHBondContact O-N 3.12Å; S353-E355 VanDerWaalsContact O-N 3.11Å
354Q42.9Very low49.2Very low181 Ų181148 Ų14885%0.84679%0.794SS**  trans-48.5117.3171.3-81.5-163.8-20.300109.6Q352 K356Q352-Q354 PolarHBondContact O-N 3.19Å; Q352-Q354 VanDerWaalsContact O-N 3.09Å; Q354-K356 PolarHBondContact O-N 3.4Å
355E45.1Very low47.5Very low193 Ų193154.6 Ų154.690%0.90282%0.824SS**  trans-62.6115.9153.8-87.6-170.993.400107.4S353S353-E355 PolarHBondContact O-N 3.12Å; S353-E355 VanDerWaalsContact O-N 3.11Å
356K42.8Very low46Very low181 Ų181154.9 Ų154.979%0.78784%0.837SS**  trans-83.9121.4170.2-172.7175.9-176.2-179.50107.5Q354Q354-K356 PolarHBondContact O-N 3.4Å
357P53.2Low44.9Very low119 Ų119154.6 Ų154.677%0.77384%0.837SS**  trans-76.8131.1170.530-29.1000109.2
358S48.3Very low44.6Very low184 Ų184154.5 Ų154.5100%1.28785%0.847SS**  trans-149.10157.8-75.30000109.3

Retrieved 358 of 358 residues in 453.2 ms (Link to these results)