A0A096NDN0_PAPAN Loading...

WH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A096NDN0, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 486 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
1M68Low81.3Confident227 Ų227131.4 Ų131.4100%1.11880%0.797SS**  0131.90-63.9-132.671.300107.8
2P72.5Confident81.5Confident120 Ų120129.4 Ų129.478%0.77979%0.789SS**PPolyproline II helixtrans-66.2140.117826.5-30.9000110.1
3V75.5Confident81.4Confident133 Ų133128.3 Ų128.381%0.80679%0.786SS**PPolyproline II helixtrans-66.8132.2179.4-166.80000108.2
4P82.6Confident81.5Confident106 Ų106127.2 Ų127.269%0.68878%0.782SS**PPolyproline II helixtrans-62.3143.8177.825.5-33.2000110.1
5P84.2Confident81.3Confident115 Ų115126.3 Ų126.375%0.74778%0.779SS**PPolyproline II helixtrans-61.3149.3177.626.6-33.6000110.4
6P84.8Confident81Confident115 Ų115125.2 Ų125.275%0.74777%0.774SS**PPolyproline II helixtrans-60.8148.2177.826.2-33.7000110.7
7P84.9Confident80.8Confident117 Ų117125 Ų12576%0.7678%0.775SS**PPolyproline II helixtrans-62.1147.6177.726.4-33.4000110.6
8P85.9Confident80.5Confident112 Ų112127.7 Ų127.773%0.72778%0.783SS**PPolyproline II helixtrans-61.9151177.726.4-33.6000110.8
9P86.1Confident79.7Confident112 Ų112124.4 Ų124.473%0.72778%0.776SS**PPolyproline II helixtrans-61149.5176.926.4-33.9000110.9
10P84.3Confident79.2Confident125 Ų125122.7 Ų122.781%0.81278%0.775SS**PPolyproline II helixtrans-60.9140.2175.926.1-32.9000110.1
11L85.1Confident78.9Confident163 Ų163122.3 Ų122.385%0.85377%0.774SS**PPolyproline II helixtrans-61.9144.7175.2-67.3174.2000110.1
12P83.9Confident79.1Confident108 Ų108116.9 Ų116.970%0.70176%0.755SS**PPolyproline II helixtrans-60.5147.7174.426.2-33.3000110.2
13P80.5Confident79.2Confident115 Ų115116.6 Ų116.675%0.74775%0.754SS**PPolyproline II helixtrans-59.7145.817626-33.5000110.1
14P82.3Confident79.2Confident113 Ų113115.6 Ų115.673%0.73475%0.75SS**PPolyproline II helixtrans-59.6148176.325.9-33.6000110.2
15P78.7Confident78.7Confident114 Ų114115.9 Ų115.974%0.7475%0.751SS**PPolyproline II helixtrans-58.6145.8174.725.8-33.4000109.8
16P77.4Confident78Confident108 Ų108116.2 Ų116.270%0.70175%0.754SS**PPolyproline II helixtrans-57.8146175.625.7-33.4000109.5L18P16-L18 PolarHBondContact O-N 3.38Å; P16-L18 VanDerWaalsContact O-N 3.14Å
17P76.9Confident77.1Confident122 Ų122116.5 Ų116.579%0.79276%0.759SS**PPolyproline II helixtrans-55.2126.5173.823.1-31.3000108.2G19P17-G19 PolarHBondContact O-N 3.24Å
18L75.9Confident75.5Confident174 Ų174114.2 Ų114.291%0.91175%0.749SS**  trans-56.8109.9168.5-65.9174.6000105.8P16 A20P16-L18 PolarHBondContact O-N 3.38Å; P16-L18 VanDerWaalsContact O-N 3.14Å; L18-A20 PolarHBondContact O-N 3.43Å
19G64.5Low74Confident64 Ų64113.8 Ų113.866%0.6675%0.746SS**PPolyproline II helixtrans-51.2144.2179.300000109.5P17P17-G19 PolarHBondContact O-N 3.24Å
20A70.5Confident72Confident91 Ų91114.3 Ų114.375%0.75275%0.75SS**PPolyproline II helixtrans-46.9138.6173.500000109.1L18L18-A20 PolarHBondContact O-N 3.43Å
21P71.9Confident69.8Low115 Ų115113.2 Ų113.275%0.74774%0.741SS**PPolyproline II helixtrans-51.9141.217623.3-33000108.3
22P72.8Confident67.7Low112 Ų112110.5 Ų110.573%0.72774%0.735SS**PPolyproline II helixtrans-52.4140.6179.422.9-33000108.9
23P74.4Confident65.5Low115 Ų115110.1 Ų110.175%0.74773%0.731SS**PPolyproline II helixtrans-53142.6176.323.5-33.1000108.9
24P75.1Confident63.7Low112 Ų112111.4 Ų111.473%0.72773%0.732SS**PPolyproline II helixtrans-54142.6176.723.9-33.1000108.9
25P73.4Confident61.9Low111 Ų111111.3 Ų111.372%0.72173%0.73SS**PPolyproline II helixtrans-53.8143.7176.424.1-33.2000108.9S27P25-S27 PolarHBondContact O-N 3.43Å; P25-S27 VanDerWaalsContact O-N 3.09Å
26P68.9Low60.1Low122 Ų122111.6 Ų111.679%0.79273%0.734SS**PPolyproline II helixtrans-52.5125.1174.721.8-31.3000107.8A28P26-A28 PolarHBondContact O-N 3.35Å
27S64.7Low58.5Low122 Ų122109.8 Ų109.885%0.85372%0.724SS**PPolyproline II helixtrans-49.8117.2171.7-70.50000106.8P25P25-S27 PolarHBondContact O-N 3.43Å; P25-S27 VanDerWaalsContact O-N 3.09Å
28A52.4Low57.2Low68 Ų68112.8 Ų112.856%0.56273%0.732SS**PPolyproline II helixtrans-48.7145.6171.800000107.8P26P26-A28 PolarHBondContact O-N 3.35Å
29P53.4Low56.1Low103 Ų103112.6 Ų112.667%0.66972%0.72SS**PPolyproline II helixtrans-48.9146.3164.225.6-33.8000106.9V31P29-V31 PolarHBondContact O-N 3.47Å
30P45.6Very low55.5Low123 Ų123119.4 Ų119.480%0.79973%0.725SS**  trans-55.994.217724.4-32.5000107.3S32P30-S32 PolarHBondContact O-N 3.47Å
31V37.7Very low54.8Low103 Ų103120 Ų12062%0.62473%0.731SS**  trans-60104.5153.8-90.90000100.1P29 T33P29-V31 PolarHBondContact O-N 3.47Å; V31-T33 PolarHBondContact O-N 3.46Å; V31-T33 PolarHBondContact O-OG1 3.33Å
32S40.7Very low54.5Low105 Ų105119.2 Ų119.273%0.73472%0.72SS**  trans-51.986.6161.8-63.80000105.4P30 D34P30-S32 PolarHBondContact O-N 3.47Å; S32-D34 PolarHBondContact O-N 2.69Å
33T38.1Very low54.4Low101 Ų101118.7 Ų118.762%0.6272%0.717SS**  trans-80.460.8165.1-50.40000102.1V31 T35V31-T33 PolarHBondContact O-N 3.46Å; V31-T33 PolarHBondContact O-OG1 3.33Å; T33-T35 HydrophobicContact CG2-CG2 4.01Å; T33-T35 PolarHBondContact O-N 2.96Å
34D41.8Very low54.5Low141 Ų141121 Ų12175%0.75472%0.715SS**  trans-65.888.1147.1-85.6-55.7000102.9S32 S36S32-D34 PolarHBondContact O-N 2.69Å; D34-S36 PolarHBondContact O-N 2.86Å
35T44.4Very low55.2Low112 Ų112117.7 Ų117.769%0.68770%0.702SS**  trans-48.591.8146.849.60000105T33 S37T33-T35 HydrophobicContact CG2-CG2 4.01Å; T33-T35 PolarHBondContact O-N 2.96Å; T35-S37 PolarHBondContact O-N 3.4Å
36S40.8Very low56.2Low119 Ų119120.8 Ų120.883%0.83270%0.699SS**  trans-64.485.2159.8169.20000104.4D34D34-S36 PolarHBondContact O-N 2.86Å
37S44.3Very low57.4Low70 Ų70118 Ų11849%0.4968%0.683SS.*  trans-30135.3175.3-157.80000110.4T35 R39T35-S37 PolarHBondContact O-N 3.4Å; S37-R39 PolarHBondContact O-N 3.13Å; S37-R39 WeakPolarHBondContact OG-CG 2.96Å
38L48.8Very low58.8Low186 Ų186114.7 Ų114.797%0.97466%0.662SS**SBendtrans-61.842.7161.4-104.6159.6000111.2
39R52.8Low60.8Low170 Ų170116.3 Ų116.364%0.64266%0.661SS**SBendtrans-122.3108.6-179.6-65-67.7-71.3174.8-7.8105.1S37S37-R39 PolarHBondContact O-N 3.13Å; S37-R39 WeakPolarHBondContact OG-CG 2.96Å
40R52.8Low62.8Low207 Ų207115.3 Ų115.378%0.78165%0.649SS**  trans24.1106.6165-66.6-170.8-67.6-1174.3113.5D42R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.05Å
41A54.8Low65.2Low104 Ų104111.4 Ų111.486%0.8663%0.627SS**  trans-42.896.1172.800000111.1
42D67.2Low67.9Low97 Ų97111.5 Ų111.552%0.51962%0.624SS.*  trans-69.3132.3174-179.366.2000107R40 K44 G45 R46R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.05Å; D42-K44 PolarHBondContact O-N 2.7Å; D42-K44 WeakPolarHBondContact OD2-CB 2.97Å; D42-K44 PolarHBondContact OD2-N 2.73Å; D42-K44 VanDerWaalsContact OD2-N 3.13Å; D42-G45 WeakPolarHBondContact O-CA 3.38Å; D42-G45 PolarHBondContact O-N 3.2Å; D42-R46 PolarHBondContact O-N 2.97Å; D42-R46 VanDerWaalsContact O-N 3.14Å
43P69.4Low70.5Confident102 Ų102112 Ų11266%0.66262%0.618SS**Hα-helixtrans-56.3-24.5-179.319.6-32.5000113.2S47P43-S47 PolarHBondContact O-N 3.21Å
44K78.2Confident73.3Confident162 Ų162114.5 Ų114.570%0.70462%0.622SS**Hα-helixtrans-72.7-35.4172.4-159.2107.7176.2-172.60112.5D42 R46 S47 A48D42-K44 PolarHBondContact O-N 2.7Å; D42-K44 WeakPolarHBondContact OD2-CB 2.97Å; D42-K44 PolarHBondContact OD2-N 2.73Å; D42-K44 VanDerWaalsContact OD2-N 3.13Å; K44-R46 VanDerWaalsContact C-N 3.34Å; K44-S47 PolarHBondContact O-N 3.4Å; K44-S47 PolarHBondContact O-OG 3.19Å; K44-A48 PolarHBondContact O-N 2.97Å
45G88.8Confident75.9Confident44 Ų44115.3 Ų115.345%0.45462%0.622SS.*Hα-helixtrans-65.8-37.3174.100000112.1D42 L49D42-G45 WeakPolarHBondContact O-CA 3.38Å; D42-G45 PolarHBondContact O-N 3.2Å; G45-L49 WeakPolarHBondContact O-CB 3.24Å; G45-L49 PolarHBondContact O-N 3.03Å
46R94.2Very high78.2Confident175 Ų175112 Ų11266%0.6661%0.61SS**Hα-helixtrans-66.4-41.7174.1-175.8176.1176.7139.3-0.2112.2D42 K44 L49 L50D42-R46 PolarHBondContact O-N 2.97Å; D42-R46 VanDerWaalsContact O-N 3.14Å; K44-R46 VanDerWaalsContact C-N 3.34Å; R46-L49 PolarHBondContact O-N 2.94Å; R46-L50 HydrophobicContact CG-CD1 4.18Å; R46-L50 HydrophobicContact CG-CG 4.44Å; R46-L50 WeakPolarHBondContact O-CB 3.46Å; R46-L50 VanDerWaalsContact O-CG 3.24Å; R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.07Å
47S93.9Very high80.8Confident65 Ų65112.2 Ų112.246%0.45561%0.606SS.*Hα-helixtrans-68.7-38.1179.364.10000112.5P43 K44 L50 A51P43-S47 PolarHBondContact O-N 3.21Å; K44-S47 PolarHBondContact O-N 3.4Å; K44-S47 PolarHBondContact O-OG 3.19Å; S47-L50 PolarHBondContact O-N 3.04Å; S47-A51 PolarHBondContact O-N 2.59Å
48A93.7Very high83.1Confident51 Ų51120.5 Ų120.542%0.42163%0.626SS.*Hα-helixtrans-61.2-48172.300000111.6K44 L50 A51 D52K44-A48 PolarHBondContact O-N 2.97Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 2.89Å; A48-A51 WeakPolarHBondContact O-CB 3.32Å; A48-A51 PolarHBondContact O-N 2.73Å; A48-D52 PolarHBondContact O-N 3.46Å
49L95.4Very high85.2Confident102 Ų102119.1 Ų119.153%0.53462%0.62SS.*Hα-helixtrans-58.8-43.5175.9177.263.8000112.4G45 R46 A51 D52 I53G45-L49 WeakPolarHBondContact O-CB 3.24Å; G45-L49 PolarHBondContact O-N 3.03Å; R46-L49 PolarHBondContact O-N 2.94Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.06Å; L49-D52 PolarHBondContact O-N 3.18Å; L49-I53 HydrophobicContact CD1-CD1 4.13Å; L49-I53 HydrophobicContact CD1-CG1 4.38Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3.09Å
50L96.3Very high87.1Confident82 Ų82122 Ų12243%0.42963%0.63SS.*Hα-helixtrans-64-34.3176.6-73.1173.7000112R46 S47 A48 Q54R46-L50 HydrophobicContact CG-CD1 4.18Å; R46-L50 HydrophobicContact CG-CG 4.44Å; R46-L50 WeakPolarHBondContact O-CB 3.46Å; R46-L50 VanDerWaalsContact O-CG 3.24Å; R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.07Å; S47-L50 PolarHBondContact O-N 3.04Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 2.89Å; L50-Q54 VanDerWaalsContact O-CG 3.28Å; L50-Q54 WeakPolarHBondContact O-CG 3.29Å; L50-Q54 PolarHBondContact O-N 3.37Å; L50-Q54 PolarHBondContact O-NE2 2.94Å
51A94.8Very high89.1Confident41 Ų41121.2 Ų121.234%0.33963%0.633SS.*Hα-helixtrans-67.2-47.2174.200000110.6S47 A48 L49 I53 Q54 Q55S47-A51 PolarHBondContact O-N 2.59Å; A48-A51 WeakPolarHBondContact O-CB 3.32Å; A48-A51 PolarHBondContact O-N 2.73Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.06Å; A51-I53 VanDerWaalsContact C-N 3.33Å; A51-I53 PolarHBondContact O-N 2.98Å; A51-Q54 CarbonylContact O-C 3.57Å; A51-Q54 WeakPolarHBondContact O-CA 3.49Å; A51-Q54 WeakPolarHBondContact O-CB 3.43Å; A51-Q54 PolarHBondContact O-N 3.39Å; A51-Q55 VanDerWaalsContact O-CG 3.32Å; A51-Q55 WeakPolarHBondContact O-CG 3.28Å; A51-Q55 PolarHBondContact O-N 3.14Å
52D95.7Very high90.8Very high105 Ų105120.8 Ų120.856%0.56162%0.619SS**Hα-helixtrans-62.1-38.5179.7-68.1-15.7000112.6A48 L49 Q54 Q55 G56A48-D52 PolarHBondContact O-N 3.46Å; L49-D52 PolarHBondContact O-N 3.18Å; D52-Q54 VanDerWaalsContact C-N 3.35Å; D52-Q55 PolarHBondContact O-N 3.16Å; D52-G56 PolarHBondContact O-N 3.5Å
53I94.4Very high91.7Very high116 Ų116122.6 Ų122.660%0.59563%0.634SS**Hα-helixtrans-63.6-41.4173.5-67.8166.9000110.9L49 A51 G56L49-I53 HydrophobicContact CD1-CD1 4.13Å; L49-I53 HydrophobicContact CD1-CG1 4.38Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3.09Å; A51-I53 VanDerWaalsContact C-N 3.33Å; A51-I53 PolarHBondContact O-N 2.98Å; I53-G56 PolarHBondContact O-N 2.57Å
54Q95.8Very high92.4Very high154 Ų154125.4 Ų125.472%0.7264%0.638SS**Hα-helixtrans-69-35.3177-76.1170.173.400112.7L50 A51 D52 G56L50-Q54 VanDerWaalsContact O-CG 3.28Å; L50-Q54 WeakPolarHBondContact O-CG 3.29Å; L50-Q54 PolarHBondContact O-N 3.37Å; L50-Q54 PolarHBondContact O-NE2 2.94Å; A51-Q54 CarbonylContact O-C 3.57Å; A51-Q54 WeakPolarHBondContact O-CA 3.49Å; A51-Q54 WeakPolarHBondContact O-CB 3.43Å; A51-Q54 PolarHBondContact O-N 3.39Å; D52-Q54 VanDerWaalsContact C-N 3.35Å; Q54-G56 VanDerWaalsContact C-N 3.29Å
55Q96.6Very high92.5Very high158 Ų158123.9 Ų123.974%0.73864%0.636SS**Hα-helixtrans-67-34.5173.3-65.2-50.1-5600111.3A51 D52A51-Q55 VanDerWaalsContact O-CG 3.32Å; A51-Q55 WeakPolarHBondContact O-CG 3.28Å; A51-Q55 PolarHBondContact O-N 3.14Å; D52-Q55 PolarHBondContact O-N 3.16Å
56G93.9Very high91.9Very high42 Ų42127.8 Ų127.843%0.43365%0.647SS.*  trans72.7165.3-176.900000112.6D52 I53 Q54D52-G56 PolarHBondContact O-N 3.5Å; I53-G56 PolarHBondContact O-N 2.57Å; Q54-G56 VanDerWaalsContact C-N 3.29Å
57T94.5Very high91.3Very high123 Ų123124 Ų12476%0.75564%0.64SS**  trans-140.2135.1177.5-63.60000110.3L59T57-L59 PolarHBondContact O-N 2.94Å
58R93.1Very high90.8Very high244 Ų244131.6 Ų131.692%0.92166%0.658SS**PPolyproline II helixtrans-76.7119.8178.9-65177.866.4-153.91109.6
59L92.7Very high90.2Very high158 Ų158133.6 Ų133.683%0.82767%0.67SS**PPolyproline II helixtrans-80.2151173.9-57.1-178.5000110.6T57T57-L59 PolarHBondContact O-N 2.94Å
60R93.4Very high89.2Confident230 Ų230132.1 Ų132.187%0.86867%0.672SS**PPolyproline II helixtrans-61.9135.8172.862.1-171.5-178.8-118.41.4110.3V62R60-V62 PolarHBondContact O-N 2.83Å
61K93.9Very high87.8Confident191 Ų191133.3 Ų133.383%0.8368%0.684SS**  trans-71.5115.8175.7-172.6174.2-177.3179.20109T63K61-T63 PolarHBondContact O-N 3.36Å
62V89.9Confident86.3Confident94 Ų94139.4 Ų139.457%0.5771%0.706SS**  trans-76.4114.7170.6179.40000107.5R60 Q64 I65R60-V62 PolarHBondContact O-N 2.83Å; V62-Q64 VanDerWaalsContact CG1-O 3.25Å; V62-Q64 WeakPolarHBondContact CG1-O 3.1Å; V62-I65 HydrophobicContact CG1-CG2 4.25Å
63T86.8Confident84.8Confident136 Ų136141.3 Ų141.383%0.83472%0.715SS**SBendtrans-83.2-24.218049.20000112.6K61K61-T63 PolarHBondContact O-N 3.36Å
64Q83.7Confident83.2Confident160 Ų160143.3 Ų143.375%0.74872%0.721SS**  trans-118.999.2178.1-171.1176.910.300109.6V62V62-Q64 VanDerWaalsContact CG1-O 3.25Å; V62-Q64 WeakPolarHBondContact CG1-O 3.1Å
65I81.1Confident81.1Confident130 Ų130141.4 Ų141.467%0.66773%0.725SS**  trans-87.4115.2164.150.2169.9000107.4V62 D67V62-I65 HydrophobicContact CG1-CG2 4.25Å; I65-D67 PolarHBondContact O-N 3.05Å
66N76.8Confident79.3Confident127 Ų127139.6 Ų139.668%0.67973%0.73SS**  trans-79.171.4171-167.4-19.1000108.3R68N66-R68 PolarHBondContact O-N 3.37Å; N66-R68 WeakPolarHBondContact OD1-CG 3.43Å
67D80.3Confident77.5Confident96 Ų96147.6 Ų147.651%0.51375%0.753SS.*  trans-84.398.7177.3-171.1-4.5000109.3I65 S69I65-D67 PolarHBondContact O-N 3.05Å; D67-S69 VanDerWaalsContact C-N 3.28Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.45Å; D67-S69 PolarHBondContact OD1-N 2.99Å; D67-S69 PolarHBondContact OD1-OG 3.31Å
68R83.5Confident75Confident223 Ų223145.1 Ų145.184%0.84275%0.752SS**THydrogen-bonded Turntrans-90.512.9179-52.4-176.2103.9179.26.1112.6N66N66-R68 PolarHBondContact O-N 3.37Å; N66-R68 WeakPolarHBondContact OD1-CG 3.43Å
69S81.7Confident72.8Confident94 Ų94140.6 Ų140.666%0.65775%0.752SS**THydrogen-bonded Turntrans-88.6-12-178.9720000113.8D67D67-S69 VanDerWaalsContact C-N 3.28Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.45Å; D67-S69 PolarHBondContact OD1-N 2.99Å; D67-S69 PolarHBondContact OD1-OG 3.31Å
70A75Confident70.3Confident71 Ų71140 Ų14059%0.58775%0.749SS**SBendtrans-68.4127.7177.800000110.9Q72A70-Q72 PolarHBondContact O-N 3.43Å
71P65.9Low68.9Low106 Ų106138.7 Ų138.769%0.68875%0.75SS**  trans-63.9122.317724.9-31.8000109.6I73P71-I73 VanDerWaalsContact C-N 3.31Å; P71-I73 HydrophobicContact CB-CG1 4.36Å; P71-I73 PolarHBondContact O-N 2.92Å
72Q64.5Low66.7Low169 Ų169138 Ų13879%0.7975%0.749SS**  trans-7486.9175-173.3173.3-38.100108.6A70 E74A70-Q72 PolarHBondContact O-N 3.43Å; Q72-E74 HydrophobicContact CG-CG 4.37Å; Q72-E74 PolarHBondContact O-N 2.95Å
73I64.3Low64.2Low145 Ų145137.1 Ų137.174%0.74476%0.76SS**  trans-88.899.2171.3-41.1171.9000106.4P71 S75P71-I73 VanDerWaalsContact C-N 3.31Å; P71-I73 HydrophobicContact CB-CG1 4.36Å; P71-I73 PolarHBondContact O-N 2.92Å; I73-S75 PolarHBondContact O-N 3.18Å
74E59.6Low62Low158 Ų158134.7 Ų134.774%0.73876%0.762SS**  trans-62.9103.5174.7-58.5173.1-170.800108.7Q72 S76Q72-E74 HydrophobicContact CG-CG 4.37Å; Q72-E74 PolarHBondContact O-N 2.95Å; E74-S76 PolarHBondContact O-N 3.39Å
75S52.4Low59.6Low114 Ų114130.9 Ų130.980%0.79777%0.766SS**  trans-84.295.3173.849.90000109.7I73 K77I73-S75 PolarHBondContact O-N 3.18Å; S75-K77 PolarHBondContact O-N 3.36Å
76S59.3Low58.3Low121 Ų121130.8 Ų130.885%0.84678%0.776SS**  trans-70.990.4169.246.70000110.6E74E74-S76 PolarHBondContact O-N 3.39Å
77K55.8Low56.5Low210 Ų210129.1 Ų129.191%0.91378%0.78SS**  trans-166.1124.2157.4-158.9153.1-178.3175.40113.6S75S75-K77 PolarHBondContact O-N 3.36Å
78G41.7Very low54.9Low71 Ų71132 Ų13273%0.73280%0.796SS**  trans12592.1151.400000115.6N80G78-N80 PolarHBondContact O-N 3.49Å
79T47.3Very low53.1Low149 Ų149127.9 Ų127.991%0.91480%0.796SS**  trans-54.9124.7160.949.40000111.4
80N39.8Very low51.6Low146 Ų146135.2 Ų135.278%0.78181%0.809SS**  trans-134.6110156.3-165.9-43.8000108.3G78G78-N80 PolarHBondContact O-N 3.49Å
81K64.6Low49.7Very low202 Ų202135.4 Ų135.488%0.87882%0.817SS**  trans-99.3113.1164.9-78.6-160.2175.2-169.10107
82E46.2Very low48.8Very low175 Ų175135.3 Ų135.382%0.81883%0.825SS**  trans-170.4103.3153-159.885.1-135.100103.4
83G38.6Very low48.1Very low77 Ų77133 Ų13379%0.79483%0.828SS**  65.5112.191.800000110.1
84G39.3Very low47.2Very low85 Ų85132.2 Ų132.288%0.87683%0.83SS**  cis-177.9162.87.800000107.6
85G34.7Very low46.7Very low80 Ų80129.6 Ų129.683%0.82583%0.827SS**  trans-164.688.5178.600000110
86S53.2Low46.7Very low127 Ų127130.7 Ų130.789%0.88883%0.831SS**  trans-60.7129.3175.7178.30000111.6
87A39.4Very low46.3Very low92 Ų92130.5 Ų130.576%0.7683%0.825SS**  trans-159.296.8150.400000110.3T89A87-T89 PolarHBondContact O-N 3.03Å
88N45.5Very low46.3Very low157 Ų157129.1 Ų129.184%0.8483%0.827SS**  trans-69.6111.8156-100.311.5000108.4
89T47.2Very low47.1Very low137 Ų137128.3 Ų128.384%0.8482%0.818SS**  trans-152.4121.6146.346.10000110.1A87A87-T89 PolarHBondContact O-N 3.03Å
90R50Low47.7Very low248 Ų248127.7 Ų127.794%0.93681%0.81SS**  trans-72.3141.9177.1-54.2170.7-160.8156.84.5109.6
91G35Very low49.1Very low74 Ų74127.9 Ų127.976%0.76381%0.81SS**  trans155.476.3163.900000116.5
92A46.6Very low49Very low104 Ų104124.1 Ų124.186%0.8679%0.794SS**  trans18.7117148.600000120.5
93S50.1Low49.9Very low122 Ų122119.3 Ų119.385%0.85378%0.784SS**  168.681.7108.4179.80000110.5
94T45.2Very low51.1Low127 Ų127119.6 Ų119.678%0.77979%0.787SS**  trans-121.4137.1158.952.30000107.6
95P47.7Very low53Low103 Ų103118 Ų11867%0.66977%0.77SS**  trans-58.4154.8-177.426.1-34.5000110.7T97P95-T97 VanDerWaalsContact C-N 3.26Å; P95-T97 PolarHBondContact O-N 3.5Å
96P52.7Low54.6Low137 Ų137121.5 Ų121.589%0.8976%0.763SS**  trans-66.890-179.828.8-33.2000108.7L98P96-L98 PolarHBondContact O-N 3.5Å
97T50.9Low55.3Low117 Ų117120.2 Ų120.272%0.71875%0.751SS**  trans-62.2127.4167.417.60000107.2P95 G99P95-T97 VanDerWaalsContact C-N 3.26Å; P95-T97 PolarHBondContact O-N 3.5Å; T97-G99 PolarHBondContact O-N 2.98Å
98L57.3Low57.2Low181 Ų181122.2 Ų122.295%0.94875%0.754SS**THydrogen-bonded Turntrans-55.844.7171.2-169.9111.3000113.1P96P96-L98 PolarHBondContact O-N 3.5Å
99G58Low58.3Low54 Ų54122.2 Ų122.256%0.55775%0.753SS**THydrogen-bonded Turntrans-121.4-4.9-173.100000113.7T97 L101T97-G99 PolarHBondContact O-N 2.98Å; G99-L101 VanDerWaalsContact C-N 3.33Å
100D60.6Low59.6Low137 Ų137126.6 Ų126.673%0.73375%0.754SS**G310 helixtrans-84.7-7.2-177-138.723.1000113.5F102 A103D100-F102 PolarHBondContact O-N 3.14Å; D100-A103 WeakPolarHBondContact O-CB 3.17Å; D100-A103 PolarHBondContact O-N 3.31Å; D100-A103 VanDerWaalsContact OD1-CB 3.22Å; D100-A103 WeakPolarHBondContact OD1-CB 3.3Å
101L67.4Low60.5Low149 Ų149121 Ų12178%0.7875%0.75SS**G310 helixtrans-67-19.1-179.2-172.559000113.5G99G99-L101 VanDerWaalsContact C-N 3.33Å
102F64.4Low61.5Low124 Ų124122.8 Ų122.854%0.54476%0.758SS.*G310 helixtrans-113.83.2177.9-61.5-77.9000113.1D100 G104 G105 F106D100-F102 PolarHBondContact O-N 3.14Å; F102-G104 PolarHBondContact O-N 3.4Å; F102-G105 PolarHBondContact O-N 2.91Å; F102-F106 AromaticContact CD1-CD2 3.57Å; F102-F106 HydrophobicContact CD1-CD2 3.57Å; F102-F106 AromaticContact CD1-CE2 3.7Å; F102-F106 HydrophobicContact CD1-CE2 3.7Å; F102-F106 AromaticContact CE1-CD2 3.69Å; F102-F106 HydrophobicContact CE1-CD2 3.69Å; F102-F106 AromaticContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CZ 4.08Å; F102-F106 HydrophobicContact CZ-CE2 4.18Å
103A64.3Low62.2Low74 Ų74121.4 Ų121.461%0.61275%0.753SS**THydrogen-bonded Turntrans-65.1-19.8177.300000112.5D100D100-A103 WeakPolarHBondContact O-CB 3.17Å; D100-A103 PolarHBondContact O-N 3.31Å; D100-A103 VanDerWaalsContact OD1-CB 3.22Å; D100-A103 WeakPolarHBondContact OD1-CB 3.3Å
104G64.5Low62Low83 Ų83123.4 Ų123.486%0.85675%0.749SS**THydrogen-bonded Turntrans-85.44.517200000115.6F102F102-G104 PolarHBondContact O-N 3.4Å
105G77.6Confident62.3Low50 Ų50129 Ų12952%0.51576%0.756SS.*  trans84149.1-174.600000113.3F102F102-G105 PolarHBondContact O-N 2.91Å
106F69.6Low62.3Low155 Ų155130.2 Ų130.268%0.6876%0.757SS**  trans-67.6131.4176.4-135.4-93.1000109F102 V108F102-F106 AromaticContact CD1-CD2 3.57Å; F102-F106 HydrophobicContact CD1-CD2 3.57Å; F102-F106 AromaticContact CD1-CE2 3.7Å; F102-F106 HydrophobicContact CD1-CE2 3.7Å; F102-F106 AromaticContact CE1-CD2 3.69Å; F102-F106 HydrophobicContact CE1-CD2 3.69Å; F102-F106 AromaticContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CZ 4.08Å; F102-F106 HydrophobicContact CZ-CE2 4.18Å; F106-V108 PolarHBondContact O-N 3.12Å
107P67Low62.3Low100 Ų100130.8 Ų130.865%0.64976%0.757SS**  trans-61.2115.3178.923.5-31.8000109.5L109P107-L109 PolarHBondContact O-N 3.15Å
108V78.8Confident61.9Low134 Ų134129.8 Ų129.881%0.81276%0.761SS**  trans-70.4111.7177.4176.40000108.1F106 R110F106-V108 PolarHBondContact O-N 3.12Å; V108-R110 PolarHBondContact O-N 3.47Å
109L70.6Confident61.3Low157 Ų157125.1 Ų125.182%0.82276%0.756SS**PPolyproline II helixtrans-68.5126.8171.3-66176.4000108.8P107P107-L109 PolarHBondContact O-N 3.15Å
110R74.4Confident60.6Low228 Ų228126 Ų12686%0.8677%0.765SS**PPolyproline II helixtrans-63.4136.7175.8-43.9-166.8-61.7-170.12.6108.7V108 A112V108-R110 PolarHBondContact O-N 3.47Å; R110-A112 PolarHBondContact O-N 3.4Å; R110-A112 VanDerWaalsContact O-N 3.13Å
111P68.8Low60Low131 Ų131128.6 Ų128.685%0.85177%0.77SS**PPolyproline II helixtrans-54.5120.4176.1-26.234.6000111.3G113P111-G113 PolarHBondContact O-N 2.88Å
112A54.6Low58.9Low112 Ų112128.4 Ų128.493%0.92678%0.775SS**SBendtrans-80.8101.5174.800000108.4R110R110-A112 PolarHBondContact O-N 3.4Å; R110-A112 VanDerWaalsContact O-N 3.13Å
113G61.2Low57.7Low74 Ų74126.2 Ų126.276%0.76379%0.788SS**  trans175.213.218000000119.4P111P111-G113 PolarHBondContact O-N 2.88Å
114Q46.3Very low56.6Low164 Ų164132.5 Ų132.577%0.76681%0.805SS**  trans-146.497.4173.1-152165-6200111.3D116Q114-D116 PolarHBondContact NE2-OD2 2.78Å; Q114-D116 PolarHBondContact O-N 3.44Å
115R51.7Low55.4Low246 Ų246131.6 Ų131.693%0.92880%0.795SS**  trans-83.2100.9162.7-92.9-165.2-73.5153.5-4.7106.7
116D47.9Very low53.9Low127 Ų127135.9 Ų135.968%0.67981%0.814SS**  trans-91128.3158.3-73.9-55.2000108.8Q114 A118Q114-D116 PolarHBondContact NE2-OD2 2.78Å; Q114-D116 PolarHBondContact O-N 3.44Å; D116-A118 PolarHBondContact O-N 3.47Å
117V52.8Low52.4Low150 Ų150132.1 Ų132.191%0.90982%0.819SS**  trans-68.2112.7177.2163.20000108.9
118A42.7Very low51.2Low95 Ų95133.5 Ų133.579%0.78583%0.831SS**  trans179.1120.7146.100000112.2D116D116-A118 PolarHBondContact O-N 3.47Å
119G44Very low49.4Very low83 Ų83138.8 Ų138.886%0.85684%0.837SS**  trans67.3108.2133.700000120.8
120G44.7Very low47.8Very low72 Ų72135.5 Ų135.574%0.74283%0.832SS**  99.1105.3119.400000119.9
121K47.8Very low46.4Very low193 Ų193130.5 Ų130.584%0.83983%0.829SS**  72.5132.4129.382.7-170.7171-171.90122.7
122T42.6Very low45.1Very low144 Ų144129.2 Ų129.288%0.88382%0.823SS**  trans74.1125.7154.360.80000120.6
123G40.3Very low44.4Very low79 Ų79129.5 Ų129.581%0.81482%0.815SS**  trans155.488.4161.100000112.9
124Q42Very low43.7Very low206 Ų206137.7 Ų137.796%0.96382%0.823SS**  trans-55.2141.3173.1-79.6-165.7-18.400112.8
125G39.2Very low43.8Very low64 Ų64137.4 Ų137.466%0.6683%0.826SS**  trans-149135.5159.500000108.8
126P44.6Very low43.4Very low139 Ų139131.3 Ų131.390%0.90382%0.818SS**  trans-70.5132.5-167.429-33000111.1
127G39.8Very low42.6Very low76 Ų76132.1 Ų132.178%0.78482%0.823SS**  trans-73.8149.6-177.700000113.5
128S39.8Very low42.1Very low130 Ų130134.2 Ų134.291%0.90982%0.82SS**  trans-146111.2134-156.70000108.9
129R42.7Very low41.8Very low245 Ų245134.8 Ų134.893%0.92581%0.814SS**  trans-100.2112.4-176.5-171.9-173.7-169.4-166.25.1106.4
130A36.7Very low41.9Very low88 Ų88139 Ų13973%0.72782%0.815SS**PPolyproline II helixtrans-95.5137.9163.500000109.1
131P43.9Very low41.6Very low122 Ų122140.8 Ų140.879%0.79282%0.816SS**PPolyproline II helixtrans-75.6128.5-171.830.3-32000110.7
132S41.3Very low41.1Very low105 Ų105135 Ų13573%0.73481%0.811SS**PPolyproline II helixtrans-64.1130.4166.5-53.30000109.6R134S132-R134 PolarHBondContact O-N 3.37Å; S132-R134 VanDerWaalsContact O-N 3.16Å
133P39.9Very low41.1Very low117 Ų117134.2 Ų134.276%0.7681%0.808SS**  trans-70.4113.1173.826.7-29.1000108.7L135P133-L135 PolarHBondContact O-N 2.75Å
134R46.5Very low41.1Very low246 Ų246138.9 Ų138.993%0.92881%0.814SS**PPolyproline II helixtrans-70.8122.9167.9-66.3-179.2-167.1-121.52.8107.7S132S132-R134 PolarHBondContact O-N 3.37Å; S132-R134 VanDerWaalsContact O-N 3.16Å
135L49.6Very low41.1Very low158 Ų158136.4 Ų136.483%0.82781%0.805SS**PPolyproline II helixtrans-97.9145.5166.2-71.2174.3000109.9P133P133-L135 PolarHBondContact O-N 2.75Å
136P42.2Very low41.6Very low118 Ų118138.9 Ų138.977%0.76681%0.81SS**PPolyproline II helixtrans-70.8131-170.726.4-32.9000112.3
137N32.1Very low41.4Very low144 Ų144138.5 Ų138.577%0.7781%0.808SS**PPolyproline II helixtrans-73.9120.3173-166.915.2000109.4
138K41.7Very low41.2Very low195 Ų195139.4 Ų139.485%0.84881%0.808SS**  trans-116.9100162-77.5177.369.8170.10108.1
139T37.6Very low41.1Very low107 Ų107139 Ų13966%0.65680%0.804SS**  trans-50.7125.2165.8-52.30000110.7
140I44.1Very low41.4Very low171 Ų171133.4 Ų133.488%0.87780%0.8SS**  trans-139.8123.8151.2-105.9155.3000107.9
141S38.7Very low41.6Very low110 Ų110139.6 Ų139.677%0.76981%0.805SS**  trans-77.1147-170.3-41.60000112.1
142G37.6Very low41.5Very low71 Ų71141 Ų14173%0.73281%0.805SS**  trans169.8127.9164.300000114.8
143P42.3Very low41.2Very low128 Ų128139.8 Ų139.883%0.83181%0.809SS**  trans-83.4149.5-171.2-0.519.2000114.3
144L40Very low41Very low177 Ų177141 Ų14193%0.92781%0.809SS**  trans-72.6127.5173.7-69160.2000111.3
145I43.4Very low40.4Very low153 Ų153135.7 Ų135.779%0.78580%0.804SS**  trans-114.7123.6167.2-58.6177.9000108.4
146P48.8Very low39.7Very low116 Ų116133.3 Ų133.375%0.75380%0.8SS**PPolyproline II helixtrans-91.1131.1167.533.4-27.7000110.3
147P41.5Very low39.2Very low132 Ų132136.2 Ų136.286%0.85780%0.804SS**PPolyproline II helixtrans-84.1141.4168.628.1-28.4000112.8
148A33.9Very low39.1Very low95 Ų95133.1 Ų133.179%0.78580%0.799SS**PPolyproline II helixtrans-68.6157.2-166.800000116.7
149S38.9Very low39.1Very low120 Ų120133.2 Ų133.284%0.83980%0.802SS**PPolyproline II helixtrans-65148.5156.6-500000111.5
150P48.6Very low38.8Very low129 Ų129131.8 Ų131.884%0.83881%0.808SS**  trans-107.9124.1154.930.9-19.2000110.7
151R41.2Very low38.4Very low218 Ų218128.6 Ų128.682%0.82381%0.807SS**  trans-96.1136.7167.3-125.2-168.9-174.8-107.20.7109
152L41.9Very low38.4Very low151 Ų151127.7 Ų127.779%0.79181%0.806SS**  trans62.5123.7152.3-52.2-174.2000120.6
153G34.1Very low38.4Very low80 Ų80135.7 Ų135.783%0.82581%0.814SS**  trans-163.7124.2155.500000109
154N37.6Very low38.2Very low142 Ų142136.2 Ų136.276%0.75982%0.815SS**  trans-107.8165.9-177.3507.5000110.7
155T33.3Very low38.4Very low135 Ų135132 Ų13283%0.82881%0.806SS**  trans106.2116.1162.971.60000119.5
156S34.5Very low38.6Very low107 Ų107130.2 Ų130.275%0.74880%0.804SS**  trans28.8137.2140-1210000125.5
157E31.2Very low38.6Very low179 Ų179130.6 Ų130.684%0.83681%0.807SS**  85135.5127-147.5172.4119.300123.2
158A31.5Very low39.1Very low80 Ų80135.4 Ų135.466%0.66181%0.808SS**  trans77.9117154.500000122.2
159H40Very low40Very low197 Ų197136.5 Ų136.591%0.91281%0.807SS**  trans9.6138.9144.5-58.7-87.8000121.4
160G32.9Very low40.9Very low76 Ų76138.1 Ų138.178%0.78481%0.806SS**  trans136.6105.7141.200000117.6
161A35.1Very low41.6Very low104 Ų104137.8 Ų137.886%0.8680%0.801SS**  trans57.4114.7145.600000122.5
162A37.5Very low43Very low92 Ų92132.4 Ų132.476%0.7680%0.795SS**  trans72.5113.2130.800000120.4
163R37.8Very low44.4Very low239 Ų239129.5 Ų129.590%0.90279%0.793SS**  -167.2112.2117.6-103170.1137.6-124.6-12.3114
164T38.2Very low46.2Very low139 Ų139131.2 Ų131.285%0.85379%0.789SS**  trans43.895.4140-420000120.3
165A44.6Very low48.1Very low87 Ų87129.9 Ų129.972%0.71979%0.788SS**  trans-110.7147.8151.300000109
166P47.6Very low50.3Low116 Ų116128.8 Ų128.875%0.75378%0.784SS**PPolyproline II helixtrans-64.8144.9-178.326.6-33.2000111.5R168P166-R168 PolarHBondContact O-N 3.05Å
167P48.6Very low52.3Low125 Ų125129.8 Ų129.881%0.81279%0.788SS**PPolyproline II helixtrans-70.2126.6-174.528.5-32.8000110.6
168R52.3Low54.6Low232 Ų232127.5 Ų127.588%0.87579%0.786SS**PPolyproline II helixtrans-66.7139.5162.7-72.2-178.5174.3-172.1-2.1108.5P166 N170P166-R168 PolarHBondContact O-N 3.05Å; R168-N170 PolarHBondContact O-N 3.47Å; R168-N170 VanDerWaalsContact O-N 3.09Å
169P53.3Low57Low119 Ų119129.1 Ų129.177%0.77379%0.79SS**PPolyproline II helixtrans-61.1116.817022.9-29000109V171P169-V171 PolarHBondContact O-N 2.97Å
170N58.1Low58.9Low154 Ų154125.2 Ų125.282%0.82478%0.782SS**  trans-79.1100.7175.7-170.912.2000107.9R168R168-N170 PolarHBondContact O-N 3.47Å; R168-N170 VanDerWaalsContact O-N 3.09Å
171V62Low61.3Low121 Ų121127 Ų12773%0.73378%0.78SS**PPolyproline II helixtrans-94.1118.3171.7-169.90000107.1P169 A173P169-V171 PolarHBondContact O-N 2.97Å; V171-A173 PolarHBondContact O-N 3.46Å
172P70.2Confident63.6Low106 Ų106127.7 Ų127.769%0.68878%0.775SS**PPolyproline II helixtrans-58.3136.6174.8-21.432.3000110.4
173A72.3Confident65.7Low90 Ų90128.9 Ų128.974%0.74478%0.775SS**PPolyproline II helixtrans-59136.917300000109.7V171V171-A173 PolarHBondContact O-N 3.46Å
174P72.4Confident67.8Low115 Ų115122.7 Ų122.775%0.74777%0.766SS**PPolyproline II helixtrans-61.2145.2175.525.9-33000110.1
175P76.7Confident69.9Low114 Ų114122.2 Ų122.274%0.7477%0.765SS**PPolyproline II helixtrans-61.7151.8177.627.2-34.3000110.7
176P79.1Confident71.5Confident113 Ų113125.9 Ų125.973%0.73477%0.772SS**PPolyproline II helixtrans-60.4146.4176.126.5-33.9000110.6T178P176-T178 PolarHBondContact O-N 3.26Å
177P77.1Confident73Confident128 Ų128125.5 Ų125.583%0.83177%0.77SS**PPolyproline II helixtrans-61.1136.9177.125.3-32.8000110.4
178T79.7Confident74.4Confident130 Ų130125 Ų12580%0.79877%0.766SS**PPolyproline II helixtrans-67140.8174.641.20000110.5P176P176-T178 PolarHBondContact O-N 3.26Å
179P81.6Confident75.2Confident114 Ų114120 Ų12074%0.7476%0.764SS**PPolyproline II helixtrans-65147175.127.2-33.2000110.5
180P80.3Confident75.6Confident115 Ų115122.1 Ų122.175%0.74777%0.768SS**PPolyproline II helixtrans-63151.5177.427.2-34.2000111.2
181P82.3Confident75.7Confident115 Ų115120.6 Ų120.675%0.74777%0.766SS**PPolyproline II helixtrans-62149.517627-34000110.9
182P83.7Confident74.8Confident117 Ų117120.3 Ų120.376%0.7677%0.77SS**PPolyproline II helixtrans-62.2148.1176.526.7-33.7000110.8
183P81.1Confident73.5Confident117 Ų117120.8 Ų120.876%0.7678%0.776SS**PPolyproline II helixtrans-62.7150.117727-33.9000110.9
184P82.4Confident72.2Confident110 Ų110121 Ų12171%0.71477%0.771SS**PPolyproline II helixtrans-61.6149.1176.126.5-33.9000111L186P184-L186 PolarHBondContact O-N 3.37Å
185P83Confident70.9Confident128 Ų128121.6 Ų121.683%0.83178%0.775SS**PPolyproline II helixtrans-60.5137.2178.324.8-32.5000110.7
186L78.6Confident69.1Low164 Ų164123.4 Ų123.486%0.85978%0.777SS**PPolyproline II helixtrans-64.4141.7176.7-68.5170.8000110.3P184P184-L186 PolarHBondContact O-N 3.37Å
187P77.9Confident67.4Low109 Ų109127.8 Ų127.871%0.70879%0.785SS**PPolyproline II helixtrans-64.1148174.126.8-32.9000110.7
188P79Confident65.6Low113 Ų113127.3 Ų127.373%0.73478%0.78SS**PPolyproline II helixtrans-62.4145.2178.125.9-33.3000111L190P188-L190 PolarHBondContact O-N 2.81Å
189P68.9Low63.8Low127 Ų127127.1 Ų127.183%0.82578%0.78SS**PPolyproline II helixtrans-65.1133.6177.626.6-32.4000110.4
190L61.7Low61.7Low164 Ų164129.5 Ų129.586%0.85979%0.786SS**PPolyproline II helixtrans-65.4141.9172.8-70167.6000110P188 S192P188-L190 PolarHBondContact O-N 2.81Å; L190-S192 PolarHBondContact O-N 2.75Å
191P60.2Low59.9Low122 Ų122130.3 Ų130.379%0.79279%0.789SS**PPolyproline II helixtrans-64.3131.5-179.725-31.9000111.2S193P191-S193 PolarHBondContact O-N 3.31Å
192S43.1Very low57.7Low116 Ų116129.8 Ų129.881%0.81179%0.788SS**PPolyproline II helixtrans-60.6122174-174.60000110.2L190 S194L190-S192 PolarHBondContact O-N 2.75Å; S192-S194 PolarHBondContact O-N 2.99Å
193S42.3Very low55.8Low116 Ų116130 Ų13081%0.81179%0.789SS**PPolyproline II helixtrans-73.5117.2175.4-174.80000110.2P191P191-S193 PolarHBondContact O-N 3.31Å
194S45.5Very low53.9Low93 Ų93130.6 Ų130.665%0.6579%0.793SS**PPolyproline II helixtrans-67.5141.3171-55.70000111.1S192 I196S192-S194 PolarHBondContact O-N 2.99Å; S194-I196 PolarHBondContact O-N 3.2Å
195P45.1Very low51.7Low128 Ų128128.5 Ų128.583%0.83179%0.791SS**  trans-72.5113.7172.428.4-31.2000110.2K197P195-K197 PolarHBondContact O-N 3.49Å
196I39.1Very low49.6Very low153 Ų153128.7 Ų128.779%0.78579%0.793SS**  trans-68.2122.5170-68.1170.9000108.6S194 T198S194-I196 PolarHBondContact O-N 3.2Å; I196-T198 HydrophobicContact CG2-CG2 4.22Å
197K43.5Very low47.8Very low205 Ų205129.3 Ų129.389%0.89180%0.796SS**  trans-77.2124.7165.5-75.9178174.8176.10109.1P195P195-K197 PolarHBondContact O-N 3.49Å
198T39Very low45.7Very low118 Ų118131 Ų13172%0.72480%0.804SS**  trans-116.1133.4161.649.50000109.2I196I196-T198 HydrophobicContact CG2-CG2 4.22Å
199P42.4Very low43.9Very low125 Ų125135.7 Ų135.781%0.81281%0.813SS**  trans-94.1109.1171.532.6-23.4000108.9
200L37.5Very low42.3Very low164 Ų164132.9 Ų132.986%0.85981%0.808SS**  trans-94.2113.5169.8-165.977.4000109.2
201V41.5Very low41.1Very low133 Ų133132.9 Ų132.981%0.80681%0.809SS**  trans-61.1139.6172.5166.20000110.7
202S36.9Very low40.1Very low103 Ų103134.8 Ų134.872%0.7281%0.811SS**  trans-138.4145.5162-71.10000109.7
203P42.6Very low40.2Very low121 Ų121134.2 Ų134.279%0.78681%0.805SS**PPolyproline II helixtrans-82.5166.8-162.234.3-35.9000114.1
204P40.8Very low40Very low131 Ų131135.5 Ų135.585%0.85181%0.807SS**PPolyproline II helixtrans-87.4135-159.433.7-32000113.8
205G36.2Very low40.2Very low65 Ų65137.6 Ų137.667%0.6782%0.816SS**PPolyproline II helixtrans-97.9155.1163.500000111.7
206P39.8Very low40.3Very low133 Ų133135.1 Ų135.186%0.86481%0.806SS**PPolyproline II helixtrans-75.5148.8-163.828.9-33.8000114.7
207L39.8Very low41.3Very low176 Ų176133.1 Ų133.192%0.92180%0.803SS**PPolyproline II helixtrans-60.8127.1-174.9-59164.3000112.6
208T35.2Very low41.7Very low145 Ų145129.2 Ų129.289%0.8980%0.799SS**  trans-126.4135.2149.9-49.70000109.3
209K39.7Very low42.6Very low211 Ų211130 Ų13092%0.91780%0.803SS**  trans-78.5127.9-161.6-167.9-179.7-171.5178.70111
210G35.7Very low43.3Very low69 Ų69129.7 Ų129.771%0.71180%0.801SS**  trans152.695.915800000117.5
211N37.1Very low44.2Very low164 Ų164127.9 Ų127.988%0.87780%0.801SS**  trans69.5123.4153.3-97.7-73.4000121.2
212L39Very low45.4Very low161 Ų161125.6 Ų125.684%0.84380%0.796SS**  trans-131.7164.7157.9-75.3178.6000107
213P44.7Very low47Very low105 Ų105126.1 Ų126.168%0.68280%0.797SS**  cis-136.1146.3-14.832.8-14.5000112.9
214V38.8Very low48.5Very low143 Ų143125.8 Ų125.887%0.86779%0.794SS**  trans-142.698.8151.9-179.20000108.9A216V214-A216 PolarHBondContact O-N 3.42Å
215V49Very low50.2Low137 Ų137125.1 Ų125.183%0.8379%0.79SS**PPolyproline II helixtrans-72.8117.9162171.10000106.7
216A48.3Very low52.3Low76 Ų76127.4 Ų127.463%0.62879%0.793SS**PPolyproline II helixtrans-62.6138.9170.300000109.8V214V214-A216 PolarHBondContact O-N 3.42Å
217P59.5Low54.2Low110 Ų110126.6 Ų126.671%0.71479%0.788SS**PPolyproline II helixtrans-65.6150.3175.728.6-33000110.2V219P217-V219 PolarHBondContact O-N 3.4Å
218P52.7Low56.1Low123 Ų123123.7 Ų123.780%0.79978%0.779SS**PPolyproline II helixtrans-63.9129.9172.127.5-31.4000108.8
219V57.4Low58.2Low135 Ų135122.3 Ų122.382%0.81877%0.773SS**PPolyproline II helixtrans-58127.3176.1-143.80000108.5P217 C221P217-V219 PolarHBondContact O-N 3.4Å; V219-C221 PolarHBondContact O-N 3.08Å
220P57.9Low60Low118 Ų118117.7 Ų117.777%0.76677%0.765SS**PPolyproline II helixtrans-61.6122.8171.1-18.230.2000108.6A222P220-A222 PolarHBondContact O-N 3.01Å; P220-A222 VanDerWaalsContact O-N 3.16Å
221C55.8Low61.7Low127 Ų127119.9 Ų119.986%0.85877%0.767SS**PPolyproline II helixtrans-53.4121.1171.8-157.90000108.3V219V219-C221 PolarHBondContact O-N 3.08Å
222A65.4Low63.2Low84 Ų84118 Ų11869%0.69476%0.763SS**PPolyproline II helixtrans-59.5135.4177.900000109.3P220P220-A222 PolarHBondContact O-N 3.01Å; P220-A222 VanDerWaalsContact O-N 3.16Å
223P71.6Confident64.5Low114 Ų114116.6 Ų116.674%0.7476%0.762SS**PPolyproline II helixtrans-61.6147.117626.3-33.3000110
224P74.7Confident65.3Low114 Ų114117.3 Ų117.374%0.7477%0.766SS**PPolyproline II helixtrans-58.4147.5177.325.6-33.9000110.6
225P76.4Confident66.6Low117 Ų117115.8 Ų115.876%0.7676%0.762SS**PPolyproline II helixtrans-60.1147.4178.125.9-33.8000110.7
226P79.1Confident67Low114 Ų114115.3 Ų115.374%0.7476%0.762SS**PPolyproline II helixtrans-61.8150.3178.426.6-34.1000111
227P80.4Confident67.3Low116 Ų116119.4 Ų119.475%0.75377%0.772SS**PPolyproline II helixtrans-60.6148.9176.226.3-34000110.9
228P78.8Confident66.9Low114 Ų114119.4 Ų119.474%0.7477%0.772SS**PPolyproline II helixtrans-61.3149.6176.926.3-33.8000110.9
229P79.4Confident66.5Low116 Ų116119.7 Ų119.775%0.75377%0.774SS**PPolyproline II helixtrans-61.7146.7178.526.2-33.8000110.9
230P77.6Confident65.5Low115 Ų115117.9 Ų117.975%0.74777%0.773SS**PPolyproline II helixtrans-61.8149.2175.127-33.8000110.6
231P71.8Confident64.5Low115 Ų115118 Ų11875%0.74778%0.777SS**PPolyproline II helixtrans-60.2150.8175.726.2-33.9000110.9T233P231-T233 PolarHBondContact O-N 2.84Å
232P69.4Low63.6Low123 Ų123118.6 Ų118.680%0.79978%0.776SS**PPolyproline II helixtrans-60.3130.5178.925-33000110.4
233T66.9Low62.1Low133 Ų133122.6 Ų122.682%0.81679%0.785SS**PPolyproline II helixtrans-59.9129.6172.740000109.5P231P231-T233 PolarHBondContact O-N 2.84Å
234P61.3Low60.4Low120 Ų120121.8 Ų121.878%0.77978%0.782SS**PPolyproline II helixtrans-62.3140.7173.425.2-31.8000110.1
235S65.4Low58.6Low110 Ų110121.8 Ų121.877%0.76978%0.776SS**PPolyproline II helixtrans-56.2143.1-179.8-540000111.8L237S235-L237 PolarHBondContact O-N 3.42Å
236P56.2Low56.7Low128 Ų128124.3 Ų124.383%0.83178%0.775SS**PPolyproline II helixtrans-66129.9174.6-7.721.7000109.7
237L55.6Low55Low161 Ų161123.7 Ų123.784%0.84378%0.779SS**PPolyproline II helixtrans-65.1144.6167.6-69.1167.9000109.6S235S235-L237 PolarHBondContact O-N 3.42Å
238P51.5Low53.2Low110 Ų110124.7 Ų124.771%0.71478%0.783SS**PPolyproline II helixtrans-65.1148.1-179.627.6-34.3000111.3A240P238-A240 PolarHBondContact O-N 3.45Å
239P44.4Very low51.2Low129 Ų129127.6 Ų127.684%0.83878%0.784SS**  trans-70.1115.8178.528.3-31.9000109.9S241P239-S241 PolarHBondContact O-N 2.94Å
240A36.1Very low49.3Very low98 Ų98127.8 Ų127.881%0.8179%0.785SS**PPolyproline II helixtrans-69125.9167.100000108.9P238P238-A240 PolarHBondContact O-N 3.45Å
241S37.3Very low47.3Very low120 Ų120130.3 Ų130.384%0.83979%0.787SS**PPolyproline II helixtrans-50.7135180-61.80000112.9P239 L243P239-S241 PolarHBondContact O-N 2.94Å; S241-L243 PolarHBondContact O-N 2.76Å
242V37.1Very low45.9Very low139 Ų139132.5 Ų132.584%0.84279%0.791SS**PPolyproline II helixtrans-63.9117.8171.6-167.60000109
243L34.2Very low44.7Very low169 Ų169130.6 Ų130.689%0.88579%0.786SS**  trans-121.8103.7156.7-170.986.2000107S241S241-L243 PolarHBondContact O-N 2.76Å
244S35.7Very low43.9Very low96 Ų96130.2 Ų130.267%0.67179%0.786SS**  trans-77.9127.2169.2172.80000108.8
245D35.6Very low43.2Very low114 Ų114132.2 Ų132.261%0.6179%0.789SS**  -170132.7122.7-131.5-135000113.8
246K37Very low42.6Very low170 Ų170136.2 Ų136.274%0.73980%0.795SS**  trans68.1115158.4-48.2-51.4-172.8-109.30120.4
247A43.8Very low43Very low102 Ų102137.1 Ų137.184%0.84379%0.792SS**  trans-62.9128.7168.200000113
248V41.3Very low43.5Very low137 Ų137134.4 Ų134.483%0.8379%0.785SS**  trans-129.6117152.1167.60000107.8P250V248-P250 WeakPolarHBondContact O-CD 3.25Å
249K38.7Very low44.4Very low175 Ų175135 Ų13576%0.76179%0.789SS**  trans-71.2117.1176.1-179172.5178.8172.80109Q251K249-Q251 PolarHBondContact O-N 3.23Å; K249-Q251 VanDerWaalsContact O-N 3.17Å
250P37.6Very low45.6Very low119 Ų119136.5 Ų136.577%0.77379%0.788SS**  trans-71.9112.2166.827.7-28.9000108.3V248 L252V248-P250 WeakPolarHBondContact O-CD 3.25Å; P250-L252 PolarHBondContact O-N 2.8Å
251Q36.4Very low47.3Very low168 Ų168136.8 Ų136.879%0.78578%0.782SS**  trans-58.2116165.8-94-84.6-24.500108.9K249 A253K249-Q251 PolarHBondContact O-N 3.23Å; K249-Q251 VanDerWaalsContact O-N 3.17Å; Q251-A253 PolarHBondContact O-N 3.46Å
252L42.8Very low49.2Very low161 Ų161136.4 Ų136.484%0.84378%0.776SS**  trans-67.1115164.9-76.1167000107.7P250P250-L252 PolarHBondContact O-N 2.8Å
253A44.9Very low50.8Low83 Ų83135.8 Ų135.869%0.68678%0.775SS**PPolyproline II helixtrans-57.1136.1168.200000109.4Q251 L255Q251-A253 PolarHBondContact O-N 3.46Å; A253-L255 PolarHBondContact O-N 2.98Å
254P49.2Very low52.3Low125 Ų125135.2 Ų135.281%0.81277%0.772SS**PPolyproline II helixtrans-62121.1172.9-2031.7000109.9H256P254-H256 PolarHBondContact O-N 3.39Å
255L47.5Very low53.8Low163 Ų163136.3 Ų136.385%0.85378%0.777SS**PPolyproline II helixtrans-59.4123.6168-76.5170.7000108.7A253 L257A253-L255 PolarHBondContact O-N 2.98Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.9Å
256H52.6Low54.8Low193 Ų193139.1 Ų139.189%0.89479%0.791SS**  trans-71.489.6176-148.1-97.3000108.4P254P254-H256 PolarHBondContact O-N 3.39Å
257L64.4Low55.8Low147 Ų147138.2 Ų138.277%0.7779%0.793SS**PPolyproline II helixtrans-67.3142.8171.4-72.2166.4000109.3L255L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.9Å
258P64.9Low56.6Low105 Ų105138.1 Ų138.168%0.68278%0.784SS**PPolyproline II helixtrans-62.9152.1171.528.3-33.9000110.4I260P258-I260 PolarHBondContact O-N 2.8Å
259P70.3Confident57.2Low123 Ų123137.7 Ų137.780%0.79978%0.784SS**PPolyproline II helixtrans-60.1139.417825.1-33000111.1
260I70Confident57.4Low160 Ų160138.5 Ų138.582%0.82179%0.788SS**PPolyproline II helixtrans-63131.8176.2-61.6170.1000108.4P258P258-I260 PolarHBondContact O-N 2.8Å
261P71.8Confident57.6Low104 Ų104136.2 Ų136.268%0.67579%0.786SS**PPolyproline II helixtrans-64.6148.6176.227.2-34.1000111
262P76.9Confident57.8Low112 Ų112139 Ų13973%0.72779%0.791SS**PPolyproline II helixtrans-62.4148.1178.427.4-34.4000110.9L264P262-L264 PolarHBondContact O-N 2.87Å
263P71.3Confident57.8Low125 Ų125137.7 Ų137.781%0.81279%0.792SS**PPolyproline II helixtrans-63137.7175.926.9-33000110.2
264L66.8Low57.5Low158 Ų158137 Ų13783%0.82779%0.793SS**PPolyproline II helixtrans-63.3146.1173.7-65.8172.8000110.1P262 L266P262-L264 PolarHBondContact O-N 2.87Å; L264-L266 PolarHBondContact O-N 2.93Å
265P66.5Low57.1Low119 Ų119139.6 Ų139.677%0.77380%0.799SS**PPolyproline II helixtrans-61129178.924.4-32.1000110.3L267P265-L267 PolarHBondContact O-N 3.36Å
266L55.3Low56.6Low173 Ų173141.7 Ų141.791%0.90680%0.801SS**  trans-63.6115.1173.5-68.7168.8000108.4L264L264-L266 PolarHBondContact O-N 2.93Å
267L58.8Low55.8Low150 Ų150137.5 Ų137.579%0.78580%0.8SS**PPolyproline II helixtrans-62.2137.6167.6-74.5166.7000108.8P265P265-L267 PolarHBondContact O-N 3.36Å
268P61.3Low54.4Low101 Ų101138 Ų13866%0.65680%0.799SS**PPolyproline II helixtrans-60.8146.3175.524.4-31.2000110.1F270P268-F270 PolarHBondContact O-N 3.12Å
269P54.3Low53.7Low128 Ų128138.4 Ų138.483%0.83180%0.801SS**PPolyproline II helixtrans-58.9123.5-178.522.5-31000109.8G271P269-G271 PolarHBondContact O-N 3.25Å; P269-G271 VanDerWaalsContact O-N 3.1Å
270F42.3Very low51.9Low192 Ų192137.1 Ų137.184%0.84280%0.8SS**PPolyproline II helixtrans-54.8116.7169.5-96.5-94.6000108.6P268 Y272P268-F270 PolarHBondContact O-N 3.12Å; F270-Y272 PolarHBondContact O-N 3.2Å
271G41.6Very low50.3Low70 Ų70134.5 Ų134.572%0.72280%0.796SS**PPolyproline II helixtrans-63.9129.8179.900000111.2P269P269-G271 PolarHBondContact O-N 3.25Å; P269-G271 VanDerWaalsContact O-N 3.1Å
272Y40.7Very low49.3Very low228 Ų228135.4 Ų135.489%0.89480%0.802SS**PPolyproline II helixtrans-70.2134.9161-80-99.2000109.3F270 G274F270-Y272 PolarHBondContact O-N 3.2Å; Y272-G274 PolarHBondContact O-N 2.93Å
273P43.2Very low47.1Very low132 Ų132133.9 Ų133.986%0.85780%0.799SS**  trans-73.798.6165.4-13.429000109.4
274G37.7Very low45.4Very low70 Ų70136.9 Ų136.972%0.72280%0.803SS**PPolyproline II helixtrans-72.9149.5170.100000112.2Y272Y272-G274 PolarHBondContact O-N 2.93Å
275L40.5Very low43.7Very low178 Ų178135.9 Ų135.993%0.93280%0.798SS**PPolyproline II helixtrans-62.9149.1-179.7-60.9168.3000112.4
276K37.2Very low42.4Very low208 Ų208136 Ų13690%0.90480%0.796SS**PPolyproline II helixtrans-55.1143.1-172.1-62.5-80.7-169170.20115.5
277A35.9Very low41.3Very low104 Ų104136.8 Ų136.886%0.8680%0.795SS**  trans-156.5112.2132.800000109.9
278E35.8Very low40.4Very low159 Ų159138.1 Ų138.174%0.74380%0.797SS**  trans-75.6168.1160.8-130-145.188.500108.9
279P49.7Very low39.8Very low113 Ų113138.4 Ų138.473%0.73480%0.799SS**  cis-141.8161.731.838.4-17.3000118.1
280A31.5Very low39.7Very low95 Ų95138.3 Ų138.379%0.78580%0.799SS**  trans157102.8138.200000112.2
281S38.2Very low40.7Very low105 Ų105133.5 Ų133.573%0.73479%0.794SS**  trans-65.8180162-57.10000112.3
282P49.1Very low41.7Very low123 Ų123135.8 Ų135.880%0.79980%0.796SS**  cis-133.7-177.310.842.9-22.5000112.7
283A31.2Very low43Very low81 Ų81130.4 Ų130.467%0.66979%0.789SS**  cis-168.1153.723.400000110.5
284Q35.4Very low44.1Very low188 Ų188130.2 Ų130.288%0.87979%0.788SS**  trans69.1141.8152.5-40.4-147.5-61.800118.1
285D31.5Very low45.3Very low136 Ų136134.8 Ų134.873%0.72780%0.795SS**  cis-159.3138.77.8-166.1-125.3000108.9
286V39.4Very low46.3Very low121 Ų121131.7 Ų131.773%0.73379%0.786SS**  trans14121.6151.7-176.30000120.8
287Q32.2Very low47.4Very low191 Ų191127.1 Ų127.189%0.89378%0.777SS**  -168.4108114.6-156.3161.1-48.900111
288E40.1Very low48.5Very low177 Ų177128.3 Ų128.383%0.82778%0.776SS**PPolyproline II helixtrans-90.6132.4179.3177.3177.59000111.4
289P47.6Very low49.3Very low108 Ų108128.4 Ų128.470%0.70178%0.781SS**PPolyproline II helixtrans-83.5148.2163.931.9-30.2000111.7
290P52.7Low49.2Very low126 Ų126128.9 Ų128.982%0.81878%0.784SS**PPolyproline II helixtrans-70145.9-164.728.2-35.2000114
291A63.3Low49.9Very low90 Ų90130.6 Ų130.674%0.74479%0.785SS**PPolyproline II helixtrans-65.3146.6178.100000113.2
292P63.3Low50Low118 Ų118136.7 Ų136.777%0.76679%0.794SS**PPolyproline II helixtrans-71.7153.8173.929.5-33.4000112.2
293P67.4Low49.2Very low115 Ų115135.7 Ų135.775%0.74780%0.795SS**PPolyproline II helixtrans-70.2156.1-176.329.1-35000112.9
294P66.1Low49.5Very low129 Ų129137.2 Ų137.284%0.83880%0.801SS**PPolyproline II helixtrans-70.4147.1-179.728.4-33.4000112.5
295L63.7Low49.4Very low166 Ų166134.5 Ų134.587%0.86980%0.801SS**PPolyproline II helixtrans-74149.4177.5-65.5172.3000112
296P60.7Low49.5Very low112 Ų112132.9 Ų132.973%0.72780%0.801SS**PPolyproline II helixtrans-73.7154.1179.829.7-33.9000112.9
297P61.2Low49.8Very low113 Ų113133.1 Ų133.173%0.73481%0.805SS**PPolyproline II helixtrans-74151.8-179.230.4-34.5000112.6
298P59.1Low49.9Very low129 Ų129135.5 Ų135.584%0.83881%0.806SS**PPolyproline II helixtrans-72.7139.8178.629.2-33.1000112
299L51.2Low49.5Very low161 Ų161131.4 Ų131.484%0.84380%0.802SS**PPolyproline II helixtrans-76.2147.6177.6-69.6170.8000112
300P47.5Very low49.1Very low122 Ų122131.1 Ų131.179%0.79280%0.803SS**PPolyproline II helixtrans-71.6132.1-177.328.3-32.5000111.9Y302P300-Y302 PolarHBondContact O-N 3.33Å
301T47.2Very low48.5Very low132 Ų132133 Ų13381%0.8181%0.805SS**  trans-74.3108.5167.223.30000108.5
302Y40.2Very low47.5Very low233 Ų233134.3 Ų134.391%0.91481%0.806SS**  trans170.4116145.3-104.2-78.8000110.5P300P300-Y302 PolarHBondContact O-N 3.33Å
303A33Very low46.6Very low101 Ų101133.1 Ų133.184%0.83581%0.806SS**  trans-164.811714100000110
304S37.4Very low45.4Very low113 Ų113133.3 Ų133.379%0.7981%0.807SS**  trans-53.9145.9168.1176.80000112.4
305C32.1Very low44.2Very low131 Ų131133.2 Ų133.289%0.88581%0.807SS**  trans-147.5120.6155-131.50000113.1
306S34Very low43.3Very low103 Ų103133.1 Ų133.172%0.7281%0.806SS**  trans-56.5158.6167.6-72.50000113.4
307P45.5Very low42.5Very low125 Ų125134 Ų13481%0.81281%0.812SS**  trans-88.9136.4176.634.6-29.2000111.5
308R35.4Very low41.3Very low241 Ų241132.1 Ų132.191%0.90981%0.813SS**  trans150121136.2-176.5174.5-179.5164.10.1114.1
309A31.7Very low40.1Very low91 Ų91130.1 Ų130.175%0.75281%0.807SS**  trans163.4106139.200000107.6
310S38.4Very low39.2Very low103 Ų103128 Ų12872%0.7280%0.797SS**  68.2117.278.2-68.30000116.8
311L40.4Very low38.5Very low165 Ų165132.2 Ų132.286%0.86480%0.799SS**  trans93.8156.6155.9-53.1-177.8000119.1
312P42.8Very low37.7Very low118 Ų118131.8 Ų131.877%0.76680%0.801SS**  cis-132.1166.4-43.835.4-18.8000113.3
313A44.5Very low37.9Very low93 Ų93126.8 Ų126.877%0.76980%0.8SS**PPolyproline II helixtrans-83.6153.4178.100000113.3
314P41.1Very low38Very low118 Ų118130.7 Ų130.777%0.76680%0.801SS**PPolyproline II helixtrans-81.7160.4-173.933.4-34.4000113.9
315P42.1Very low38.5Very low128 Ų128129.2 Ų129.283%0.83180%0.795SS**PPolyproline II helixtrans-86.3147.9-167.434.5-33.3000113.6
316L44.3Very low39.9Very low164 Ų164128.5 Ų128.586%0.85979%0.789SS**PPolyproline II helixtrans-87.9144.9166.9-70.9167000110.3G318L316-G318 PolarHBondContact O-N 3.4Å
317P44Very low41Very low131 Ų131129 Ų12985%0.85179%0.79SS**PPolyproline II helixtrans-77123.8172.930-29000109.9
318G36.4Very low41.6Very low73 Ų73129 Ų12975%0.75379%0.79SS**  trans-117.5157.8171.500000111.7L316L316-G318 PolarHBondContact O-N 3.4Å
319A32.8Very low42.6Very low86 Ų86125 Ų12571%0.71179%0.786SS**  trans150.4135.2152.500000108.5
320N32.4Very low43.7Very low118 Ų118126.1 Ų126.163%0.63179%0.785SS**  cis-176.9151.10.1-118.3-38.2000109.5
321Y33Very low44.5Very low210 Ų210127 Ų12782%0.82479%0.788SS**  trans57.2111.3155-55.8-65.1000122.4
322S29.9Very low44.6Very low123 Ų123129 Ų12986%0.8679%0.79SS**  -161132.7115-154.30000110.2E324S322-E324 PolarHBondContact O-N 3.32Å
323S45.2Very low44.4Very low127 Ų127128.6 Ų128.689%0.88879%0.79SS**  trans-66121178.5-69.20000111.3
324E34.7Very low44.4Very low184 Ų184129.2 Ų129.286%0.8679%0.787SS**  trans-138.8113.7159.8-162.6175.9119.300108.8S322S322-E324 PolarHBondContact O-N 3.32Å
325A47.5Very low44.4Very low81 Ų81129.2 Ų129.267%0.66979%0.789SS**PPolyproline II helixtrans-60.4148.4172.100000110
326P61.6Low44.3Very low116 Ų116132.4 Ų132.475%0.75379%0.79SS**PPolyproline II helixtrans-60.3141.9176.326.4-33.2000110
327P57.1Low44Very low114 Ų114133.2 Ų133.274%0.7479%0.79SS**PPolyproline II helixtrans-60138.3178.324-32.2000110
328P59Low43.6Very low125 Ų125131.5 Ų131.581%0.81279%0.787SS**PPolyproline II helixtrans-64.4141.8179.825.9-32.7000110.8
329L55.8Low43.7Very low158 Ų158133.7 Ų133.783%0.82779%0.788SS**PPolyproline II helixtrans-59.4142.6172.5-64.7170.2000110.2
330P53.9Low44.2Very low113 Ų113135 Ų13573%0.73479%0.789SS**PPolyproline II helixtrans-61.4139.2179.424.6-32.8000110.9
331P55.6Low44.3Very low121 Ų121138.9 Ų138.979%0.78680%0.803SS**PPolyproline II helixtrans-64.6139.4179.725.4-32.5000110.9S333P331-S333 PolarHBondContact O-N 2.72Å
332K43.4Very low44.4Very low207 Ų207138.1 Ų138.190%0.980%0.804SS**PPolyproline II helixtrans-56.9127.8173.6-68.3173.5177.8166.60109.3
333S38Very low44.6Very low110 Ų110138.6 Ų138.677%0.76980%0.802SS**PPolyproline II helixtrans-54.5142.2-179.7-44.40000111.9P331 S335P331-S333 PolarHBondContact O-N 2.72Å; S333-S335 PolarHBondContact O-N 3.06Å
334P44.1Very low44Very low107 Ų107138.2 Ų138.270%0.69580%0.799SS**PPolyproline II helixtrans-67129.8178.9-15.129.3000111.2F336P334-F336 PolarHBondContact O-N 2.58Å
335S41.2Very low44.4Very low118 Ų118133.9 Ų133.983%0.82580%0.795SS**  trans-62114.1168.5-1660000109.1S333 Q337S333-S335 PolarHBondContact O-N 3.06Å; S335-Q337 PolarHBondContact O-N 2.84Å
336F39.8Very low43.9Very low194 Ų194139 Ų13985%0.85181%0.805SS**PPolyproline II helixtrans-77.6116.2171.4-83.1-82.8000109.5P334P334-F336 PolarHBondContact O-N 2.58Å
337Q37.4Very low42.5Very low181 Ų181137 Ų13785%0.84680%0.798SS**PPolyproline II helixtrans-60.6133.5167.4-71.3-179-32.900110.4S335S335-Q337 PolarHBondContact O-N 2.84Å
338A36.2Very low41.7Very low95 Ų95139.3 Ų139.379%0.78580%0.803SS**PPolyproline II helixtrans-67.9137.9165.900000110.5
339P38.7Very low41.3Very low120 Ų120138.8 Ų138.878%0.77980%0.8SS**PPolyproline II helixtrans-87.2147.516317-4000111.7
340P43.1Very low40.5Very low114 Ų114135.7 Ų135.774%0.7480%0.797SS**PPolyproline II helixtrans-89.3138.3-177.235.3-31.1000111.4
341Q34.6Very low40Very low198 Ų198136.1 Ų136.193%0.92580%0.8SS**  trans-138.7119.3161.3-72.9-75.4-73.900109.3
342K34.9Very low39.7Very low195 Ų195136.4 Ų136.485%0.84880%0.802SS**  trans-85.1142.6176.9-96.7-174.5174.5-177.90110.7
343V33.8Very low39.5Very low132 Ų132131 Ų13180%0.880%0.796SS**  trans55.8115.5135.4-171.70000119
344S34.4Very low39.8Very low119 Ų119131.6 Ų131.683%0.83280%0.797SS**  -161.5141.1118.763.90000111.4
345A41.4Very low39.6Very low93 Ų93132.6 Ų132.677%0.76980%0.804SS**  trans-81.8152.1-177.400000111.8
346Q36.9Very low39.3Very low189 Ų189130.8 Ų130.888%0.88380%0.803SS**  trans-172150.5139.8-95.6-72.812.100108.5
347A32.8Very low39.2Very low74 Ų74127 Ų12761%0.61280%0.801SS**  trans-117.3154.2-14600000114.4
348L41.6Very low39.2Very low162 Ų162127 Ų12785%0.84880%0.801SS**  trans80.1161.9152.3-65.5162.2000120.9
349P49.4Very low39.2Very low114 Ų114128 Ų12874%0.7480%0.797SS**  cis-135.5167-46.933.6-15.4000114.6
350A38.3Very low39Very low93 Ų93132.2 Ų132.277%0.76980%0.804SS**PPolyproline II helixtrans-84.7156172.900000113.4
351P44.7Very low38.8Very low122 Ų122134.2 Ų134.279%0.79281%0.808SS**PPolyproline II helixtrans-84.7154.8-178.332.7-34.4000114.8
352P48.6Very low39Very low128 Ų128133 Ų13383%0.83180%0.802SS**PPolyproline II helixtrans-93156.8-171.136.5-34.5000115.2
353A40.1Very low39Very low93 Ų93132.8 Ų132.877%0.76980%0.801SS**PPolyproline II helixtrans-91.6152.917300000112.7
354P43.2Very low39.3Very low123 Ų123134.2 Ų134.280%0.79980%0.796SS**PPolyproline II helixtrans-87.1154.9-18032.7-33.2000114.6
355P41.1Very low39.4Very low128 Ų128140.6 Ų140.683%0.83180%0.802SS**PPolyproline II helixtrans-95.4163-164.238-34.5000114.9
356G33.6Very low39.4Very low79 Ų79143.6 Ų143.681%0.81480%0.8SS**  trans-81.5175.4178.500000115.9
357S38.2Very low39.3Very low116 Ų116138.2 Ų138.281%0.81180%0.795SS**  trans-147.6107.3176.152.30000112.7
358Q37.4Very low39.9Very low179 Ų179146.2 Ų146.284%0.83681%0.809SS**  trans32.8140.2134.4-68.8-77.3-44.800123.2
359T36.4Very low40.1Very low116 Ų116143.8 Ų143.871%0.71280%0.803SS**  trans-69.3146.4171.143.70000114.9
360F34.8Very low39.5Very low210 Ų210142.1 Ų142.192%0.92181%0.807SS**  trans-141.7135.7157.3-103.3-87.6000112.7
361L39.3Very low40Very low156 Ų156142.9 Ų142.982%0.81781%0.813SS**  trans-80.7137.2174.8-74.6157000111.5
362Q37.2Very low40.2Very low171 Ų171141.1 Ų141.180%0.79982%0.817SS**  trans-155.8104150-79.2-52.3-46.200113.2
363K36.1Very low40.1Very low192 Ų192138.2 Ų138.284%0.83581%0.811SS**  53.6122.5122.8-159.5164.2165.5179.40122.8
364K40.8Very low41.1Very low162 Ų162137.5 Ų137.570%0.70481%0.812SS**  trans-57.5142.7164.3178.4168.3-178.8171.30115.6H366K364-H366 WeakPolarHBondContact CE-CE1 3.04Å
365R35.3Very low41.8Very low252 Ų252141.2 Ų141.295%0.95182%0.816SS**  trans-149.5139.6149.1-152.6-179.6-134.2-141.24.8111.5
366H42.4Very low43.1Very low157 Ų157142.8 Ų142.873%0.72782%0.816SS**  trans-99.3154.5176.9-67112.3000112.2K364K364-H366 WeakPolarHBondContact CE-CE1 3.04Å
367G33.3Very low45Very low75 Ų75146.3 Ų146.377%0.77382%0.816SS**  trans104.6136.7160.200000113.7
368R45.7Very low46.8Very low242 Ų242145.8 Ų145.891%0.91381%0.81SS**  cis-165-175.63-122.5-155.4-153.3-100.41.4107.4
369P45.6Very low48.5Very low111 Ų111142.8 Ų142.872%0.72181%0.806SS**  trans-94.8139.3-142.138.5-33.5000114.7
370G38.2Very low50.5Low80 Ų80143.2 Ų143.283%0.82581%0.811SS**  trans-102.6113.5164.900000110.1
371A48.2Very low52.4Low109 Ų109137.4 Ų137.490%0.90180%0.802SS**  trans-72.9148.4173.700000111.2
372G48.6Very low54Low85 Ų85135.4 Ų135.488%0.87680%0.798SS**  trans129.195.4163.400000113.2
373G47.5Very low55.9Low67 Ų67133 Ų13369%0.69180%0.797SS**  trans165.893.717100000109.7K375G373-K375 PolarHBondContact O-N 3.07Å
374G61Low57.4Low77 Ų77128.5 Ų128.579%0.79480%0.796SS**  trans-51.2105-17900000111.4L376G374-L376 PolarHBondContact O-N 2.92Å; G374-L376 VanDerWaalsContact O-N 3.09Å
375K57.8Low58.4Low201 Ų201131.4 Ų131.487%0.87480%0.803SS**  trans-7396.1165.6-80.4-178.4165.8-175.30107G373 N377G373-K375 PolarHBondContact O-N 3.07Å; K375-N377 PolarHBondContact O-N 3.38Å
376L68.5Low59.4Low162 Ų162123.1 Ų123.185%0.84878%0.783SS**PPolyproline II helixtrans-59.1129.6158.1-55.3178.5000106.5G374G374-L376 PolarHBondContact O-N 2.92Å; G374-L376 VanDerWaalsContact O-N 3.09Å
377N72.6Confident60.3Low152 Ų152122 Ų12281%0.81379%0.79SS**PPolyproline II helixtrans-56136.5174.8-80-57.7000108.7K375K375-N377 PolarHBondContact O-N 3.38Å
378P76.6Confident61Low106 Ų106124 Ų12469%0.68879%0.787SS**PPolyproline II helixtrans-56.9145.3172.125.8-32.9000108.9
379P73.2Confident61.5Low115 Ų115116.9 Ų116.975%0.74777%0.771SS**PPolyproline II helixtrans-56.3146.3174.325.7-33.6000109.4A381P379-A381 PolarHBondContact O-N 3.41Å
380P77.9Confident61.8Low126 Ų126120.1 Ų120.182%0.81878%0.776SS**PPolyproline II helixtrans-56.2139.4177.324.2-33000109.7
381A74.8Confident62.4Low88 Ų88124 Ų12473%0.72778%0.777SS**PPolyproline II helixtrans-55.7142177.200000110P379P379-A381 PolarHBondContact O-N 3.41Å
382P72.8Confident62.2Low113 Ų113123.3 Ų123.373%0.73477%0.766SS**PPolyproline II helixtrans-57.9145.2174.925-32.9000109.6A384P382-A384 PolarHBondContact O-N 2.69Å
383P76.4Confident62Low121 Ų121124.7 Ų124.779%0.78676%0.762SS**PPolyproline II helixtrans-52.1134178.5-23.832000110.5R385P383-R385 PolarHBondContact O-N 3.21Å; P383-R385 VanDerWaalsContact O-N 3.12Å
384A68.2Low62.1Low98 Ų98129.7 Ų129.781%0.8177%0.765SS**PPolyproline II helixtrans-53.3122.5173.100000108.4P382 S386P382-A384 PolarHBondContact O-N 2.69Å; A384-S386 PolarHBondContact O-N 3.33Å
385R61.2Low61.4Low223 Ų223131.2 Ų131.284%0.84276%0.763SS**PPolyproline II helixtrans-57.8126.9174.5-75.7-179.9162.9-163.2-5.1108P383P383-R385 PolarHBondContact O-N 3.21Å; P383-R385 VanDerWaalsContact O-N 3.12Å
386S57.8Low61.1Low78 Ų78130.1 Ų130.155%0.54576%0.761SS.*PPolyproline II helixtrans-51.9144.9177-45.50000110.8A384 T388A384-S386 PolarHBondContact O-N 3.33Å; S386-T388 PolarHBondContact O-N 2.92Å
387P59.5Low59.9Low133 Ų133130.5 Ų130.586%0.86476%0.759SS**THydrogen-bonded Turntrans-70.122.3-176.830.1-35.8000114.4
388T49.7Very low58Low117 Ų117129.8 Ų129.872%0.71876%0.76SS**THydrogen-bonded Turntrans-1163.7-172.185.50000113.8S386S386-T388 PolarHBondContact O-N 2.92Å
389T54.8Low56.5Low92 Ų92130.4 Ų130.456%0.56476%0.762SS**  trans-111.514176.796.10000113.1L391T389-L391 VanDerWaalsContact C-N 3.3Å; T389-L391 PolarHBondContact O-N 3.17Å
390E51.6Low54.7Low179 Ų179128 Ų12884%0.83675%0.751SS**  trans-84.388.6159.8-63.8-150.9104.200106.7S392E390-S392 PolarHBondContact O-N 3.47Å
391L50.8Low52.6Low161 Ų161133.6 Ų133.684%0.84376%0.756SS**  trans-62.184.9155-67.6177000106.5T389 S393T389-L391 VanDerWaalsContact C-N 3.3Å; T389-L391 PolarHBondContact O-N 3.17Å; L391-S393 PolarHBondContact O-N 3.1Å
392S45.5Very low50.8Low96 Ų96134.2 Ų134.267%0.67175%0.751SS**  trans-54.689.9157.2-179.20000106.3E390 K394E390-S392 PolarHBondContact O-N 3.47Å; S392-K394 PolarHBondContact O-N 3.38Å
393S43Very low49.2Very low113 Ų113135.1 Ų135.179%0.7976%0.757SS**  trans-72.174.8171.9-78.50000108.1L391L391-S393 PolarHBondContact O-N 3.1Å
394K50.3Low47.1Very low173 Ų173134.3 Ų134.375%0.75275%0.75SS**  trans-104.363168-155173.1179.6-176.30106.6S392 Q396S392-K394 PolarHBondContact O-N 3.38Å; K394-Q396 PolarHBondContact O-N 3.21Å; K394-Q396 VanDerWaalsContact O-N 3.12Å
395S45.8Very low45.9Very low109 Ų109137.9 Ų137.976%0.76275%0.75SS**  trans-8474163.556.60000108.8Q397S395-Q397 PolarHBondContact O-N 3.04Å; S395-Q397 VanDerWaalsContact O-N 3.15Å
396Q51.8Low44.5Very low177 Ų177135 Ų13583%0.82775%0.746SS**  trans-78.271.5154-170.1-177.675.300107.2K394K394-Q396 PolarHBondContact O-N 3.21Å; K394-Q396 VanDerWaalsContact O-N 3.12Å
397Q43.5Very low44.1Very low170 Ų170136.9 Ų136.979%0.79476%0.757SS**  trans-149.381.1165.5-67.8-162-2200108.6S395S395-Q397 PolarHBondContact O-N 3.04Å; S395-Q397 VanDerWaalsContact O-N 3.15Å
398V32.9Very low42.8Very low138 Ų138134.1 Ų134.184%0.83675%0.752SS**  trans-88.491.6154175.20000104.8A400V398-A400 PolarHBondContact O-N 2.94Å
399T44.4Very low42.9Very low119 Ų119132.4 Ų132.473%0.7376%0.757SS**  trans-80.3113.4155.9-53.50000105.6W401T399-W401 PolarHBondContact O-N 3.42Å
400A36.1Very low42.1Very low63 Ų63137.2 Ų137.252%0.52177%0.773SS.*  trans-53.3133.7172.500000110V398 T402V398-A400 PolarHBondContact O-N 2.94Å; A400-T402 VanDerWaalsContact C-N 3.33Å; A400-T402 PolarHBondContact O-N 3.45Å
401W34.4Very low42.5Very low244 Ų244136.3 Ų136.392%0.92477%0.774SS**  trans-75.492.4172.90.3-57.7000105.9T399T399-W401 PolarHBondContact O-N 3.42Å
402T35.7Very low42.3Very low101 Ų101138.9 Ų138.962%0.6277%0.772SS**  trans-134.6111.5166.747.60000107.4A400 T404A400-T402 VanDerWaalsContact C-N 3.33Å; A400-T402 PolarHBondContact O-N 3.45Å; T402-T404 PolarHBondContact O-N 3.3Å
403P39.3Very low42.2Very low133 Ų133139.7 Ų139.786%0.86477%0.769SS**  trans-77.184.9164.331.7-27.6000106.7Q405P403-Q405 PolarHBondContact O-N 2.9Å
404T32.9Very low42.6Very low104 Ų104138 Ų13864%0.63877%0.77SS**  trans-87.699.8158.5-68.10000106.5T402 Q406T402-T404 PolarHBondContact O-N 3.3Å; T404-Q406 HydrophobicContact CG2-CG 4.06Å; T404-Q406 PolarHBondContact O-N 3.18Å
405Q42.3Very low42.8Very low173 Ų173134.3 Ų134.381%0.80877%0.765SS**  trans-54.7113.7160.2-83.4-107.251.300108.6P403P403-Q405 PolarHBondContact O-N 2.9Å
406Q32.7Very low43.3Very low161 Ų161136.4 Ų136.475%0.75277%0.767SS**  trans-128.6120.1157.7-81.8-64.5-42.700107.9T404T404-Q406 HydrophobicContact CG2-CG 4.06Å; T404-Q406 PolarHBondContact O-N 3.18Å
407P49.2Very low43.6Very low119 Ų119134.1 Ų134.177%0.77376%0.756SS**  trans-85.3121.1172.933.1-26.9000108.3
408G32.7Very low44.4Very low74 Ų74133.3 Ų133.376%0.76376%0.756SS**  trans-172.896.2176.400000111.1
409G51.1Low45.7Very low81 Ų81132.5 Ų132.584%0.83575%0.745SS**  trans-64.7151.6179.500000113
410Q37.9Very low47.1Very low193 Ų193131.4 Ų131.490%0.90274%0.735SS**  trans-154.7127.5146.6-149.9-17974.200110.9R412Q410-R412 PolarHBondContact O-N 3.21Å
411L60.2Low49.1Very low160 Ų160132.7 Ų132.784%0.83873%0.733SS**  trans-61123.5171.6-43.6169000108.9
412R47.5Very low51.1Low215 Ų215128 Ų12881%0.81172%0.72SS**  trans171.6127.7138.9-98.8-83.3170.6-171.4-0.5112.5Q410Q410-R412 PolarHBondContact O-N 3.21Å
413N43Very low52.9Low114 Ų114128.8 Ų128.861%0.6172%0.716SS**  trans71.991.3150.4-59.4-23.9000118.6S415N413-S415 VanDerWaalsContact C-N 3.32Å; N413-S415 PolarHBondContact O-N 2.92Å
414G51.9Low54.6Low78 Ų78126.4 Ų126.480%0.80470%0.703SS**SBend52.830.4107.900000120
415S53.3Low56.8Low94 Ų94128 Ų12866%0.65770%0.701SS**  trans-166.2144.3162.9-155.40000107N413N413-S415 VanDerWaalsContact C-N 3.32Å; N413-S415 PolarHBondContact O-N 2.92Å
416L56.5Low58.4Low154 Ų154125.4 Ų125.481%0.80669%0.687SS**  trans97.141.5-175.8-49.7170.2000117.3
417H58.9Low60.8Low128 Ų128124.3 Ų124.359%0.59369%0.692SS**  trans-118.60.7164.725.5-80.6000113.8I419 D420 D421H417-I419 VanDerWaalsContact C-N 3.3Å; H417-I419 PolarHBondContact O-N 3.48Å; H417-D420 PolarHBondContact O-N 3.21Å; H417-D421 PolarHBondContact O-N 3.09Å; H417-D421 VanDerWaalsContact O-N 3.08Å
418I58.9Low62.4Low154 Ų154125.9 Ų125.979%0.7969%0.687SS**Hα-helixtrans-66.8-31.6178.6-81.2163.3000112.5
419I61.6Low64.8Low120 Ų120128.4 Ų128.462%0.61568%0.678SS**Hα-helixtrans-78.7-36.1-179-52.2155.1000109.8H417H417-I419 VanDerWaalsContact C-N 3.3Å; H417-I419 PolarHBondContact O-N 3.48Å
420D72.4Confident66.3Low97 Ų97127.6 Ų127.652%0.51966%0.66SS.*Hα-helixtrans-76.3-25.6-178.5-157.847.1000112.9H417 F422 E423 S424H417-D420 PolarHBondContact O-N 3.21Å; D420-F422 VanDerWaalsContact C-N 3.35Å; D420-E423 PolarHBondContact O-N 3.25Å; D420-S424 WeakPolarHBondContact O-CB 3.01Å; D420-S424 PolarHBondContact O-N 2.81Å; D420-S424 PolarHBondContact O-OG 2.85Å
421D78.6Confident68.3Low90 Ų90124.1 Ų124.148%0.48165%0.652SS.*Hα-helixtrans-71.6-26.9176.7-167.643.9000112.8H417 K425H417-D421 PolarHBondContact O-N 3.09Å; H417-D421 VanDerWaalsContact O-N 3.08Å; D421-K425 WeakPolarHBondContact O-CG 3.11Å; D421-K425 IonicContact OD1-NZ 2.76Å; D421-K425 PolarHBondContact OD1-NZ 3.14Å; D421-K425 IonicContact OD2-NZ 3.75Å; D421-K425 PolarHBondContact OD2-NZ 3.49Å
422F77.4Confident69.5Low145 Ų145123.8 Ų123.864%0.63665%0.646SS**Hα-helixtrans-76.2-43.4172.9180-99.3000111.4D420 S424 K425D420-F422 VanDerWaalsContact C-N 3.35Å; F422-S424 VanDerWaalsContact C-N 3.32Å; F422-K425 PolarHBondContact O-N 3.4Å
423E72.6Confident71.5Confident118 Ų118118.3 Ų118.355%0.55163%0.633SS**Hα-helixtrans-68-32176.7-69.3-178.6-179.700111.7D420 K425 F426D420-E423 PolarHBondContact O-N 3.25Å; E423-K425 PolarHBondContact O-N 3.02Å; E423-F426 PolarHBondContact O-N 3.27Å
424S75.7Confident73.6Confident82 Ų82119 Ų11957%0.57363%0.631SS**THydrogen-bonded Turntrans-74.7-17.3177.1-72.10000114.9D420 F422 F426D420-S424 WeakPolarHBondContact O-CB 3.01Å; D420-S424 PolarHBondContact O-N 2.81Å; D420-S424 PolarHBondContact O-OG 2.85Å; F422-S424 VanDerWaalsContact C-N 3.32Å; S424-F426 VanDerWaalsContact C-N 3.31Å
425K77.9Confident75.4Confident138 Ų138120.5 Ų120.560%0.663%0.626SS**THydrogen-bonded Turntrans-81.1-14.2175.4-48.4-140.5-163-59.20113D421 F422 E423D421-K425 WeakPolarHBondContact O-CG 3.11Å; D421-K425 IonicContact OD1-NZ 2.76Å; D421-K425 PolarHBondContact OD1-NZ 3.14Å; D421-K425 IonicContact OD2-NZ 3.75Å; D421-K425 PolarHBondContact OD2-NZ 3.49Å; F422-K425 PolarHBondContact O-N 3.4Å; E423-K425 PolarHBondContact O-N 3.02Å
426F76.4Confident77.1Confident119 Ų119121.4 Ų121.452%0.52263%0.629SS.*SBendtrans-125.9107.6-179.2-73.2-84.3000109.6E423 S424 F428E423-F426 PolarHBondContact O-N 3.27Å; S424-F426 VanDerWaalsContact C-N 3.31Å; F426-F428 HydrophobicContact CB-CD2 3.95Å; F426-F428 HydrophobicContact CB-CE2 3.38Å; F426-F428 HydrophobicContact CB-CZ 3.75Å; F426-F428 HydrophobicContact CG-CE2 4.3Å; F426-F428 HydrophobicContact CG-CZ 4.27Å; F426-F428 VanDerWaalsContact O-CD2 3.3Å; F426-F428 WeakPolarHBondContact O-CD2 3.35Å; F426-F428 PolarHBondContact O-N 3.32Å
427T82.9Confident78.6Confident138 Ų138119.9 Ų119.985%0.84763%0.629SS**  trans-70.299.6166.7-52.30000108.3
428F82.1Confident80Confident152 Ų152121.4 Ų121.467%0.66764%0.641SS**PPolyproline II helixtrans-82.8131.6169.8-68-80.9000109.5F426 S430F426-F428 HydrophobicContact CB-CD2 3.95Å; F426-F428 HydrophobicContact CB-CE2 3.38Å; F426-F428 HydrophobicContact CB-CZ 3.75Å; F426-F428 HydrophobicContact CG-CE2 4.3Å; F426-F428 HydrophobicContact CG-CZ 4.27Å; F426-F428 VanDerWaalsContact O-CD2 3.3Å; F426-F428 WeakPolarHBondContact O-CD2 3.35Å; F426-F428 PolarHBondContact O-N 3.32Å; F428-S430 PolarHBondContact O-N 3.44Å
429H84.9Confident81.5Confident126 Ų126121.5 Ų121.558%0.58364%0.638SS**PPolyproline II helixtrans-60.8132.4162.3-64.1-78.8000108.2D433 F434H429-D433 HydrophobicContact CB-CB 4.2Å; H429-D433 IonicContact CE1-OD2 3.5Å; H429-D433 IonicContact CG-OD2 2.87Å; H429-D433 IonicContact ND1-OD2 2.8Å; H429-D433 PolarHBondContact ND1-OD2 3.49Å; H429-F434 HydrophobicContact CB-CE2 4.23Å; H429-F434 HydrophobicContact CB-CZ 4.41Å
430S82.3Confident82.9Confident65 Ų65124.8 Ų124.846%0.45564%0.644SS.*PPolyproline II helixtrans-67.8158.7176.480.20000109.7F428 E432 D433 F434F428-S430 PolarHBondContact O-N 3.44Å; S430-E432 WeakPolarHBondContact CB-OE2 3.22Å; S430-E432 PolarHBondContact O-N 2.94Å; S430-E432 PolarHBondContact OG-OE2 3.45Å; S430-D433 WeakPolarHBondContact O-CB 2.92Å; S430-D433 PolarHBondContact O-N 3.01Å; S430-F434 WeakPolarHBondContact O-CD2 3.31Å
431V79.6Confident83.6Confident120 Ų120127.1 Ų127.173%0.72765%0.65SS**G310 helixtrans-60.2-23-177.7178.60000111.3F434V431-F434 PolarHBondContact O-N 3.27Å
432E85.2Confident84Confident152 Ų152128.1 Ų128.171%0.7166%0.661SS**G310 helixtrans-77.5-17.1178-57.471.3-153.400114S430 F434S430-E432 WeakPolarHBondContact CB-OE2 3.22Å; S430-E432 PolarHBondContact O-N 2.94Å; S430-E432 PolarHBondContact OG-OE2 3.45Å; E432-F434 VanDerWaalsContact C-N 3.28Å
433D88.9Confident84.3Confident101 Ų101125.9 Ų125.954%0.5466%0.662SS.*G310 helixtrans-83.1-9.1175.2-163.730.2000111.8H429 S430H429-D433 HydrophobicContact CB-CB 4.2Å; H429-D433 IonicContact CE1-OD2 3.5Å; H429-D433 IonicContact CG-OD2 2.87Å; H429-D433 IonicContact ND1-OD2 2.8Å; H429-D433 PolarHBondContact ND1-OD2 3.49Å; S430-D433 WeakPolarHBondContact O-CB 2.92Å; S430-D433 PolarHBondContact O-N 3.01Å
434F87.3Confident84.9Confident129 Ų129128.8 Ų128.857%0.56668%0.676SS**SBendtrans-82.2136171-67.2-85.7000110H429 S430 V431 E432H429-F434 HydrophobicContact CB-CE2 4.23Å; H429-F434 HydrophobicContact CB-CZ 4.41Å; S430-F434 WeakPolarHBondContact O-CD2 3.31Å; V431-F434 PolarHBondContact O-N 3.27Å; E432-F434 VanDerWaalsContact C-N 3.28Å
435P90.4Very high85.3Confident108 Ų108132.1 Ų132.170%0.70168%0.68SS**PPolyproline II helixtrans-57.7145.8171.426.3-33.7000109.3
436P88.4Confident85.5Confident113 Ų113131.1 Ų131.173%0.73468%0.68SS**PPolyproline II helixtrans-50.1137.2172-2634.1000110D438P436-D438 PolarHBondContact O-N 3.36Å
437P87.4Confident85.7Confident123 Ų123131.2 Ų131.280%0.79968%0.678SS**PPolyproline II helixtrans-58.5136.9178.424.6-33.2000109.5E439P437-E439 PolarHBondContact O-N 3.37Å
438D88.3Confident85.4Confident159 Ų159129.5 Ų129.585%0.8567%0.669SS**PPolyproline II helixtrans-54.7140.8176.5-66.9-43000110.7P436 Y440P436-D438 PolarHBondContact O-N 3.36Å; D438-Y440 PolarHBondContact O-N 3.02Å
439E91.6Very high85Confident156 Ų156126.3 Ų126.373%0.72967%0.666SS**PPolyproline II helixtrans-54.6127.7173.3-105.591.5-152.400110.4P437 K441P437-E439 PolarHBondContact O-N 3.37Å; E439-K441 PolarHBondContact O-N 3.18Å
440Y89.8Confident84.1Confident189 Ų189128 Ų12874%0.74167%0.672SS**  trans-56.5113.9174.5177.6-102.1000110.6D438 P442D438-Y440 PolarHBondContact O-N 3.02Å; Y440-P442 HydrophobicContact CD1-CG 4.33Å; Y440-P442 HydrophobicContact CE1-CB 4.25Å; Y440-P442 HydrophobicContact CE1-CG 3.98Å
441K88.9Confident83.6Confident147 Ų147129.7 Ų129.764%0.63967%0.674SS**  trans-94.1121168.4-59.2-55.4177.4-173.20108.6E439 C443E439-K441 PolarHBondContact O-N 3.18Å; K441-C443 PolarHBondContact O-N 3.29Å; K441-C443 PolarHBondContact O-SG 3.29Å
442P87.1Confident83Confident111 Ų111129.5 Ų129.572%0.72168%0.676SS**  trans-60.1103.6171.8-2232.7000109.8Y440Y440-P442 HydrophobicContact CD1-CG 4.33Å; Y440-P442 HydrophobicContact CE1-CB 4.25Å; Y440-P442 HydrophobicContact CE1-CG 3.98Å
443C82.1Confident82.2Confident97 Ų97132.5 Ų132.566%0.65568%0.681SS**  trans-106132.3174.9-59.70000108.7K441 K445K441-C443 PolarHBondContact O-N 3.29Å; K441-C443 PolarHBondContact O-SG 3.29Å; C443-K445 PolarHBondContact O-N 3.21Å
444Q84.9Confident80.8Confident179 Ų179132 Ų13284%0.83669%0.685SS**  trans-66106.1172.5-170.8174.49.900108.5I446Q444-I446 HydrophobicContact CG-CG1 4.35Å; Q444-I446 PolarHBondContact O-N 3.43Å
445K85.4Confident79.4Confident152 Ų152138 Ų13866%0.66170%0.704SS**  trans-75.491.6-178.9-157.2137.877.1176.30109.4C443 Y447C443-K445 PolarHBondContact O-N 3.21Å; K445-Y447 HydrophobicContact CB-CE2 4.06Å; K445-Y447 HydrophobicContact CD-CE1 4.27Å; K445-Y447 WeakPolarHBondContact CE-OH 3.45Å; K445-Y447 HydrophobicContact CG-CD1 4.41Å; K445-Y447 HydrophobicContact CG-CD2 4.46Å; K445-Y447 HydrophobicContact CG-CE1 3.9Å; K445-Y447 HydrophobicContact CG-CE2 3.97Å; K445-Y447 WeakPolarHBondContact O-CD2 3.49Å; K445-Y447 PolarHBondContact O-N 3.29Å
446I81.8Confident77.4Confident118 Ų118137.8 Ų137.861%0.60570%0.701SS**  trans-80.298.8173-57.9169.7000107.1Q444 I451Q444-I446 HydrophobicContact CG-CG1 4.35Å; Q444-I446 PolarHBondContact O-N 3.43Å; I446-I451 HydrophobicContact CG2-CG1 4.31Å
447Y80.1Confident75.6Confident120 Ų120139.1 Ų139.147%0.47171%0.71SS.*  trans-72.1138.4172.3-60.8-84.5000109.2K445 S449 K450K445-Y447 HydrophobicContact CB-CE2 4.06Å; K445-Y447 HydrophobicContact CD-CE1 4.27Å; K445-Y447 WeakPolarHBondContact CE-OH 3.45Å; K445-Y447 HydrophobicContact CG-CD1 4.41Å; K445-Y447 HydrophobicContact CG-CD2 4.46Å; K445-Y447 HydrophobicContact CG-CE1 3.9Å; K445-Y447 HydrophobicContact CG-CE2 3.97Å; K445-Y447 WeakPolarHBondContact O-CD2 3.49Å; K445-Y447 PolarHBondContact O-N 3.29Å; Y447-S449 PolarHBondContact O-N 3.41Å; Y447-K450 PolarHBondContact O-N 3.17Å
448P76.8Confident73.4Confident102 Ų102135.5 Ų135.566%0.66270%0.695SS**THydrogen-bonded Turntrans-54.6-20.4176.5-26.733.8000114.2K450P448-K450 VanDerWaalsContact C-N 3.34Å
449S73.9Confident71.3Confident85 Ų85134.1 Ų134.159%0.59469%0.694SS**THydrogen-bonded Turntrans-76-15.1175.360.50000114.8Y447Y447-S449 PolarHBondContact O-N 3.41Å
450K65.9Low69.3Low162 Ų162138.4 Ų138.470%0.70470%0.704SS**SBendtrans-97.6-5.8-179-61-60.5-176.8179.80113.5Y447 P448Y447-K450 PolarHBondContact O-N 3.17Å; P448-K450 VanDerWaalsContact C-N 3.34Å
451I72.3Confident67.5Low100 Ų100137 Ų13751%0.51371%0.709SS.*SBendtrans-77.2125.9172.6-39.5167.8000107.1I446 R453I446-I451 HydrophobicContact CG2-CG1 4.31Å; I451-R453 PolarHBondContact O-N 3.09Å
452P67.6Low65Low117 Ų117138.1 Ų138.176%0.7672%0.716SS**  trans-56109.3172.2-22.432.8000109S454P452-S454 VanDerWaalsContact C-N 3.3Å; P452-S454 PolarHBondContact O-N 3.28Å
453R66.4Low62.9Low215 Ų215137 Ų13781%0.81172%0.716SS**  trans-72.890.6177.2-155.3173.5-67.4149-0.5106.7I451 R455I451-R453 PolarHBondContact O-N 3.09Å; R453-R455 PolarHBondContact O-N 3.13Å
454S61.3Low60.8Low91 Ų91141.2 Ų141.264%0.63673%0.726SS**  trans-51.7129.3175.150.50000109.1P452 T456P452-S454 VanDerWaalsContact C-N 3.3Å; P452-S454 PolarHBondContact O-N 3.28Å; S454-T456 PolarHBondContact O-N 3.16Å
455R56.8Low58.6Low254 Ų254137.6 Ų137.696%0.95873%0.727SS**SBendtrans-71.773171.9-72.2-174.4-165.5-115.73.5109.2R453R453-R455 PolarHBondContact O-N 3.13Å
456T47.9Very low56.4Low104 Ų104136.8 Ų136.864%0.63873%0.734SS**  trans-139.8115.7166.6-49.30000105.7S454 G458S454-T456 PolarHBondContact O-N 3.16Å; T456-G458 PolarHBondContact O-N 3.46Å
457P50.9Low54.2Low141 Ų141134.4 Ų134.492%0.91674%0.739SS**  trans-69.387.6169.7-8.724.9000107.3
458G41.8Very low52.2Low47 Ų47138.1 Ų138.149%0.48576%0.761SS.*  trans-106.6145170.200000109.3T456 W460T456-G458 PolarHBondContact O-N 3.46Å; G458-W460 PolarHBondContact O-N 3.37Å
459P44.5Very low50.1Low129 Ų129139 Ų13984%0.83877%0.769SS**  trans-64.3130.4-165.726.8-32.7000110.7L461P459-L461 PolarHBondContact O-N 3.48Å; P459-L461 VanDerWaalsContact O-N 3.14Å
460W48.3Very low48.9Very low246 Ų246139.2 Ų139.293%0.93277%0.77SS**  trans-51.9117.4161.3-69.983.7000107.9G458G458-W460 PolarHBondContact O-N 3.37Å
461L52.4Low48.1Very low161 Ų161138.1 Ų138.184%0.84377%0.772SS**  trans-176.2145.2144.9-96.4-177.9000112.3P459P459-L461 PolarHBondContact O-N 3.48Å; P459-L461 VanDerWaalsContact O-N 3.14Å
462Q37.7Very low47Very low170 Ų170139.7 Ų139.779%0.79478%0.782SS**  trans86.498.6165.2-56.4-68.215.900119.1
463A42.5Very low46.1Very low88 Ų88142 Ų14273%0.72779%0.786SS**  trans-79152148.800000110
464E37.8Very low45.5Very low185 Ų185141.7 Ų141.786%0.86479%0.79SS**  trans77110.5160.4-122.3-166.412500120
465A38.2Very low44.9Very low103 Ų103139.7 Ų139.785%0.85178%0.784SS**  trans-152.595.1145.100000108.9
466V38.4Very low44.5Very low135 Ų135138.9 Ų138.982%0.81878%0.781SS**  trans-119.1125.7144.8153.60000105.3
467G36.9Very low44.4Very low68 Ų68141 Ų14170%0.70179%0.789SS**  trans-80.4167-157.800000116.4
468Q38.3Very low44.1Very low198 Ų198138.9 Ų138.993%0.92578%0.777SS**  trans-175.7123.4133.7-105177.4-10.600107.6
469S32.5Very low44.5Very low119 Ų119144.3 Ų144.383%0.83279%0.79SS**  157.2120125.7-164.50000109.2
470S49.2Very low44.6Very low90 Ų90145.9 Ų145.963%0.62979%0.791SS**  trans-62.1160.3157-1740000109.5
471D48.5Very low44.5Very low140 Ų140138.9 Ų138.975%0.74978%0.779SS**  trans88.7125.9162.3-64.7-78.4000119.7
472D49Very low44.3Very low133 Ų133139.3 Ų139.371%0.71178%0.781SS**  trans73.688.4151.3-117.1-73000120.1
473I49.3Very low44.9Very low166 Ų166139.9 Ų139.985%0.85178%0.781SS**  -144.185.6123-49.886.6000109.1
474K52.4Low45.2Very low207 Ų207141.9 Ų141.990%0.978%0.784SS**  trans-81.2115.9159.8-164.4-177.9-174-164.20107.7
475G49.3Very low45.6Very low49 Ų49140.7 Ų140.751%0.50578%0.783SS.*  trans123.7103.9158.100000115.4
476R49Very low46Very low238 Ų238150.7 Ų150.790%0.89880%0.799SS**  167.178.5113.1-86.5177.5-144.1128.52.7108.1S478R476-S478 PolarHBondContact O-N 2.91Å
477N44.7Very low46.4Very low148 Ų148151.5 Ų151.579%0.79180%0.798SS**  trans-78.896.3150.7-174.2-43.3000106
478S46.2Very low46.9Very low97 Ų97155.9 Ų155.968%0.67880%0.803SS**  trans-117.496162.455.50000107.4R476 L480R476-S478 PolarHBondContact O-N 2.91Å; S478-L480 PolarHBondContact O-N 3.36Å
479Q49.8Very low47.3Very low161 Ų161153.6 Ų153.675%0.75280%0.796SS**  trans-49.2127.6158.8-64.5-177.12.900109.8
480L46Very low48.2Very low162 Ų162155.6 Ų155.685%0.84879%0.794SS**  trans-137.5104.6148.8-73.7177.5000108.1S478S478-L480 PolarHBondContact O-N 3.36Å
481S46.6Very low48.1Very low98 Ų98159.7 Ų159.769%0.68580%0.804SS**  trans-81116.8162.3-62.90000107.7
482L47.3Very low48.1Very low170 Ų170161 Ų16189%0.8981%0.808SS**  trans-122.8123.2160.1-76.3175.2000109.9
483K50.8Low48.1Very low182 Ų182163 Ų16379%0.79182%0.815SS**  trans-93.1156.1-171.5-59.1149.1171172.10108.6
484T48.9Very low48Very low130 Ų130162.8 Ų162.880%0.79881%0.812SS**  trans86.7106144-52.30000118.8
485L45.8Very low47.6Very low160 Ų160159.1 Ų159.184%0.83881%0.805SS**  trans-30.7124.4139.8-17178.4000115.5
486R46.7Very low47.4Very low314 Ų314169.1 Ų169.1100%1.18583%0.832SS**  -159.60121.3-109.1-165.4-145.6152.56.6110.9

Retrieved 486 of 486 residues in 113.3 ms (Link to these results)