A0A087XT30_POEFO Loading...

Runt-related transcription factor

AlphaFold DB , UniProt , Accession A0A087XT30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 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
1M33.8Very low36.8Very low225 Ų225159.6 Ų159.6100%1.10879%0.794SS**  0121.60-8075.217500107.6
2V32.9Very low37Very low112 Ų112153.2 Ų153.268%0.67978%0.784SS**  74.2100.171.5172.40000109
3F37.2Very low37.8Very low187 Ų187151.6 Ų151.682%0.8279%0.79SS**  60.6144.894.7-52.6-58.9000112.7
4L37.3Very low37.9Very low139 Ų139146.1 Ų146.173%0.72879%0.789SS**  cis-127.9-171.48.7-61.774.7000108.9
5W39.1Very low38Very low219 Ų219152.5 Ų152.583%0.8380%0.797SS**  cis-155.3149-11.4-124.69000107.5
6D39.5Very low38.4Very low130 Ų130158.3 Ų158.370%0.69581%0.805SS**  53.811794.2-166.827.7000118.6
7A37.6Very low38.1Very low91 Ų91162.6 Ų162.675%0.75281%0.811SS**  trans-172.4111.7140.800000114.2
8K35.3Very low38.4Very low188 Ų188160 Ų16082%0.81781%0.805SS**  7397.3128.4-161.4172.6-175.5177.40122.7
9Y32.6Very low38.5Very low227 Ų227157.7 Ų157.789%0.8980%0.803SS**  trans81.8152.7131.9-127.3-95.7000122.1
10D39.9Very low38.7Very low119 Ų119155.9 Ų155.964%0.63680%0.802SS**  trans-106.8150.9-166.5174.546.7000113.6
11P39.6Very low38.3Very low119 Ų119154.2 Ų154.277%0.77380%0.804SS**  trans-136.3132.1133.136.4-23.9000115
12A39.1Very low38.4Very low82 Ų82150.2 Ų150.268%0.67879%0.792SS**PPolyproline II helixtrans-67.9146.2-174.500000116.4
13P47.4Very low38.4Very low133 Ų133150.6 Ų150.686%0.86480%0.8SS**PPolyproline II helixtrans-84140.7176.333.4-34.9000113.7
14G39.1Very low38.5Very low75 Ų75150 Ų15077%0.77381%0.805SS**PPolyproline II helixtrans-89142.1-173.800000116.7
15R40.3Very low38.3Very low242 Ų242147.7 Ų147.791%0.91381%0.805SS**  trans31.7104.8154.9-66.7-176.5176.7-114-0.5118.7
16R43.4Very low38.1Very low245 Ų245143.1 Ų143.193%0.92581%0.807SS**  trans-71.1148.2146.6-76.3-177.7173.1174.5-2110.4
17Y34.4Very low37.6Very low231 Ų231140.9 Ų140.991%0.90681%0.814SS**  trans-87.9145.6164.7-108.2-100.9000110.4
18T43Very low37.3Very low116 Ų116140.2 Ų140.271%0.71282%0.817SS**  trans-137.9126.2173.9-44.80000108.6
19P40.3Very low37.2Very low117 Ų117140 Ų14076%0.7682%0.816SS**PPolyproline II helixtrans-75.3142.2175.730.9-33.6000111
20P42.2Very low37.4Very low120 Ų120136.9 Ų136.978%0.77981%0.811SS**PPolyproline II helixtrans-85137.9-179.332.9-33.8000112.6
21S31.1Very low37.1Very low122 Ų122136.4 Ų136.485%0.85382%0.824SS**PPolyproline II helixtrans-77148.9162.8-52.70000110.6
22T34Very low36.9Very low140 Ų140140.1 Ų140.186%0.85983%0.831SS**  trans-120.5130.1172.345.80000111.7
23S34.3Very low36.6Very low120 Ų120140.8 Ų140.884%0.83984%0.837SS**  trans-141.3159.616756.50000109.3
24L38.5Very low36.1Very low175 Ų175142.5 Ų142.592%0.91684%0.837SS**  trans-84.6149.6-159.4-64.573.8000114.1
25A33.8Very low36.6Very low90 Ų90144.3 Ų144.374%0.74484%0.836SS**  trans-160.6131.3139.200000113.4
26S33.9Very low36.1Very low124 Ų124140.7 Ų140.787%0.86783%0.833SS**  trans27.1135.4146.859.20000122.6
27G29.5Very low35.4Very low82 Ų82132.6 Ų132.685%0.84583%0.826SS**  trans-162.8-24.5170.300000120.2
28G31.6Very low35.4Very low78 Ų78126.6 Ų126.680%0.80483%0.825SS**  trans49.9126.4161.900000122.5
29K33.4Very low35.2Very low184 Ų184129.8 Ų129.880%0.883%0.831SS**  trans-159128.2136.7-127.1-176178.8-1750115.5
30M36.4Very low34.7Very low160 Ų160132.9 Ų132.979%0.78884%0.836SS**  trans23.4120151.473.5-156.1-150.400121.9
31A34.8Very low34.7Very low110 Ų110132 Ų13291%0.90984%0.838SS**  -161.4147.9128.600000109.1
32E34.2Very low34.7Very low197 Ų197129.8 Ų129.892%0.92184%0.836SS**  trans-122.7123-168.6178.6-175.9159.900110.9
33A33.8Very low35Very low96 Ų96127.4 Ų127.479%0.79384%0.838SS**  trans-165.898.2168.500000113.2
34L36.8Very low34.9Very low168 Ų168125.3 Ų125.388%0.8884%0.836SS**  trans-137.8147.4154.1-78.8-178.7000105.4
35P48.4Very low34.8Very low113 Ų113121.1 Ų121.173%0.73483%0.826SS**  cis-134.9-160.349.540.8-20.7000111.7
36L30.4Very low35Very low166 Ų166122 Ų12287%0.86983%0.834SS**  cis-147.2159.19.1-165.669.6000109
37G28.3Very low35.5Very low75 Ų75121.6 Ų121.677%0.77383%0.826SS**  trans-81.1163-169.500000116.3
38A35.1Very low36.1Very low106 Ų106124.4 Ų124.488%0.87682%0.819SS**  trans-147.7137.6156.900000110.5
39Q37.9Very low36.5Very low182 Ų182124.7 Ų124.785%0.8582%0.822SS**  trans-75141.9176.3154.7-167.2-24.700111.5
40E29.7Very low37Very low182 Ų182124.4 Ų124.485%0.8582%0.82SS**  trans-164.4148.3149-104.2-71.377.100109.3
41A42.8Very low36.9Very low101 Ų101124.6 Ų124.684%0.83582%0.817SS**  trans-100.892.7-169.900000113.5
42G31.3Very low37.5Very low77 Ų77128.3 Ų128.379%0.79481%0.808SS**  trans-92.4125.8174.500000113.5G44G42-G44 PolarHBondContact O-N 3.33Å
43G40.5Very low38.5Very low89 Ų89121.8 Ų121.892%0.91878%0.778SS**  trans-72.9113.4179.600000113.7
44G31.2Very low39.1Very low76 Ų76119.1 Ų119.178%0.78476%0.756SS**  trans-104.6112.4171.900000111.8G42 A46G42-G44 PolarHBondContact O-N 3.33Å; G44-A46 PolarHBondContact O-N 2.83Å
45A37.9Very low39.5Very low87 Ų87118.4 Ų118.472%0.71975%0.753SS**  trans-72.7125-17500000112.6V47A45-V47 HydrophobicContact CB-CG2 4.14Å; A45-V47 PolarHBondContact O-N 3.45Å
46A36.8Very low40.1Very low109 Ų109114.8 Ų114.890%0.90173%0.727SS**  trans-74.360.9171.700000111.9G44G44-A46 PolarHBondContact O-N 2.83Å
47V45.2Very low42Very low115 Ų115109 Ų10970%0.69771%0.706SS**  trans-132.375.5-173.8-173.10000110.9A45A45-V47 HydrophobicContact CB-CG2 4.14Å; A45-V47 PolarHBondContact O-N 3.45Å
48M42.3Very low44.1Very low142 Ų142107 Ų10770%0.768%0.678SS**  trans-150.841.8153.6-154.556.272.700113.7K50M48-K50 PolarHBondContact O-N 3.37Å
49G39.3Very low45.8Very low84 Ų84105.4 Ų105.487%0.86667%0.665SS**SBendtrans-84.120.7168.200000114
50K44Very low47.6Very low177 Ų177100.9 Ų100.977%0.7764%0.643SS**  trans-14477.3-175-66.9-173.7-178.8-178.80110M48 R52M48-K50 PolarHBondContact O-N 3.37Å; K50-R52 PolarHBondContact O-N 3.33Å
51F34.4Very low49.8Very low164 Ų16492.7 Ų92.772%0.71961%0.606SS**  trans-56.6129.3164-101.7-96.6000108.8H56F51-H56 AromaticContact CD1-CE1 3.78Å; F51-H56 AromaticContact CD1-NE2 3.57Å
52R47.6Very low51.4Low189 Ų18990 Ų9071%0.71358%0.577SS**  trans-85.5122.3-176.7-62.1-179-174.2170.61.5108.2K50 A54 D55K50-R52 PolarHBondContact O-N 3.33Å; R52-A54 HydrophobicContact CB-CB 4.02Å; R52-A54 PolarHBondContact O-N 2.99Å; R52-D55 PolarHBondContact O-N 2.77Å; R52-D55 VanDerWaalsContact O-N 3.16Å
53I55.2Low53.2Low59 Ų5990.1 Ų90.130%0.30357%0.566SS.*G310 helixtrans-54-22171.5-65.3166.3000111.6D55 H56 V61 L101 Q134I53-D55 PolarHBondContact O-N 3.2Å; I53-D55 VanDerWaalsContact O-N 3.16Å; I53-H56 PolarHBondContact O-N 2.77Å; I53-H56 VanDerWaalsContact O-N 3.15Å; I53-V61 HydrophobicContact CG2-CG2 4.46Å; I53-L101 HydrophobicContact CG2-CD2 4.42Å; I53-Q134 HydrophobicContact CB-CB 4.5Å; I53-Q134 HydrophobicContact CB-CG 4.3Å; I53-Q134 HydrophobicContact CD1-CB 4.27Å; I53-Q134 HydrophobicContact CG2-CB 4.34Å; I53-Q134 HydrophobicContact CG2-CG 4.48Å
54A45.5Very low54.7Low40 Ų4090.8 Ų90.833%0.33155%0.548SS..G310 helixtrans-50.7-28.7172.900000116.4R52 L101 D103R52-A54 HydrophobicContact CB-CB 4.02Å; R52-A54 PolarHBondContact O-N 2.99Å; A54-L101 WeakPolarHBondContact CA-O 3.34Å; A54-D103 WeakPolarHBondContact CB-OD1 3.27Å
55D46.1Very low56.8Low153 Ų15391.3 Ų91.382%0.81853%0.53SS*.G310 helixtrans-108.5-7.9-179.4-144.818.9000112.5R52 I53 G57R52-D55 PolarHBondContact O-N 2.77Å; R52-D55 VanDerWaalsContact O-N 3.16Å; I53-D55 PolarHBondContact O-N 3.2Å; I53-D55 VanDerWaalsContact O-N 3.16Å; D55-G57 PolarHBondContact O-N 2.98Å
56H60.4Low58.5Low38 Ų3892.3 Ų92.318%0.17653%0.529CS..SBendtrans-82.399.4178.3-70.3-52.1000110.4F51 I53 E60 V61F51-H56 AromaticContact CD1-CE1 3.78Å; F51-H56 AromaticContact CD1-NE2 3.57Å; I53-H56 PolarHBondContact O-N 2.77Å; I53-H56 VanDerWaalsContact O-N 3.15Å; H56-E60 WeakPolarHBondContact CA-OE2 3.48Å; H56-E60 HydrophobicContact CB-CB 4.49Å; H56-E60 IonicContact CE1-OE1 3.63Å; H56-E60 IonicContact CE1-OE2 3.76Å; H56-E60 IonicContact CG-OE2 3.77Å; H56-E60 IonicContact ND1-OE1 2.71Å; H56-E60 PolarHBondContact ND1-OE1 3.15Å; H56-E60 VanDerWaalsContact ND1-OE1 3.16Å; H56-E60 IonicContact ND1-OE2 3.1Å; H56-E60 PolarHBondContact ND1-OE2 3.22Å; H56-V61 HydrophobicContact CB-CG2 3.91Å
57G70.3Confident60.4Low43 Ų4390 Ų9044%0.44352%0.516SS..  trans-60.5158.2-176.800000113.7D55 A59 E60D55-G57 PolarHBondContact O-N 2.98Å; G57-A59 PolarHBondContact O-N 3.36Å; G57-E60 PolarHBondContact O-N 2.92Å
58M72.1Confident62.5Low34 Ų3486.6 Ų86.617%0.16749%0.493CS..THydrogen-bonded Turntrans-37.4-27179-98.6-72-161.200117.5I62 K71 P75 L78 L101M58-I62 WeakPolarHBondContact O-CD1 3.49Å; M58-I62 VanDerWaalsContact O-CG1 3.29Å; M58-I62 WeakPolarHBondContact O-CG1 3.33Å; M58-K71 HydrophobicContact CE-CB 4.29Å; M58-K71 HydrophobicContact CE-CD 4.27Å; M58-K71 HydrophobicContact CE-CG 4.05Å; M58-K71 HydrophobicContact SD-CD 3.95Å; M58-K71 HydrophobicContact SD-CG 3.84Å; M58-P75 VanDerWaalsContact CE-O 3.29Å; M58-P75 WeakPolarHBondContact CE-O 3.27Å; M58-L78 HydrophobicContact CE-CD2 4.09Å; M58-L78 HydrophobicContact CE-CG 4.48Å; M58-L78 HydrophobicContact SD-CD1 4.39Å; M58-L78 HydrophobicContact SD-CD2 3.4Å; M58-L78 WeakPolarHBondContact SD-CD2 3.5Å; M58-L78 HydrophobicContact SD-CG 3.81Å; M58-L101 HydrophobicContact CB-CD1 4.13Å; M58-L101 HydrophobicContact CG-CD1 3.48Å; M58-L101 VanDerWaalsContact CG-CD1 3.48Å; M58-L101 HydrophobicContact SD-CD1 3.84Å
59A71.1Confident64.9Low73 Ų7380.5 Ų80.560%0.60346%0.463SS*.THydrogen-bonded Turntrans-84.8-34.9179.500000113.1G57 I62 S63G57-A59 PolarHBondContact O-N 3.36Å; A59-I62 PolarHBondContact O-N 3.14Å; A59-S63 PolarHBondContact O-N 3.16Å; A59-S63 PolarHBondContact O-OG 2.82Å
60E76Confident67.5Low86 Ų8678.4 Ų78.440%0.40243%0.433SS..Hα-helixtrans-74.6-47.6-172.3-165.4170.7-167.800111.2H56 G57 I62 S63 D64H56-E60 WeakPolarHBondContact CA-OE2 3.48Å; H56-E60 HydrophobicContact CB-CB 4.49Å; H56-E60 IonicContact CE1-OE1 3.63Å; H56-E60 IonicContact CE1-OE2 3.76Å; H56-E60 IonicContact CG-OE2 3.77Å; H56-E60 IonicContact ND1-OE1 2.71Å; H56-E60 PolarHBondContact ND1-OE1 3.15Å; H56-E60 VanDerWaalsContact ND1-OE1 3.16Å; H56-E60 IonicContact ND1-OE2 3.1Å; H56-E60 PolarHBondContact ND1-OE2 3.22Å; G57-E60 PolarHBondContact O-N 2.92Å; E60-I62 PolarHBondContact O-N 2.79Å; E60-I62 VanDerWaalsContact O-N 3.14Å; E60-S63 WeakPolarHBondContact CA-OG 3.46Å; E60-S63 WeakPolarHBondContact O-CA 3.49Å; E60-S63 PolarHBondContact O-N 3.16Å; E60-S63 PolarHBondContact O-OG 2.7Å; E60-D64 PolarHBondContact O-N 2.98Å
61V75.9Confident69.9Low11 Ų1175.1 Ų75.17%0.06742%0.419CS..Hα-helixtrans-61.3-24.6173.6-176.80000112.2I53 H56 L69 L78 V99 L101I53-V61 HydrophobicContact CG2-CG2 4.46Å; H56-V61 HydrophobicContact CB-CG2 3.91Å; V61-L69 HydrophobicContact CG1-CD1 4.07Å; V61-L78 HydrophobicContact CB-CD1 3.98Å; V61-L78 HydrophobicContact CG1-CD1 3.75Å; V61-V99 HydrophobicContact CG1-CG1 4.17Å; V61-L101 HydrophobicContact CB-CD2 4.3Å; V61-L101 HydrophobicContact CG2-CD2 3.79Å
62I77.3Confident72.8Confident45 Ų4568.1 Ų68.123%0.23139%0.389CS..Hα-helixtrans-79.4-35.9171.6-67.9177.9000111.6M58 A59 E60 D64 H65 P66 K71 L78M58-I62 WeakPolarHBondContact O-CD1 3.49Å; M58-I62 VanDerWaalsContact O-CG1 3.29Å; M58-I62 WeakPolarHBondContact O-CG1 3.33Å; A59-I62 PolarHBondContact O-N 3.14Å; E60-I62 PolarHBondContact O-N 2.79Å; E60-I62 VanDerWaalsContact O-N 3.14Å; I62-D64 VanDerWaalsContact C-N 3.35Å; I62-H65 CarbonylContact O-C 3.26Å; I62-H65 VanDerWaalsContact O-C 3.26Å; I62-H65 PolarHBondContact O-N 3.16Å; I62-P66 VanDerWaalsContact O-CA 3.31Å; I62-P66 WeakPolarHBondContact O-CA 3.47Å; I62-K71 HydrophobicContact CD1-CD 4.39Å; I62-K71 VanDerWaalsContact CD1-CE 3.49Å; I62-K71 HydrophobicContact CD1-CG 4Å; I62-L78 HydrophobicContact CD1-CD2 3.87Å; I62-L78 HydrophobicContact CG1-CD1 3.99Å; I62-L78 HydrophobicContact CG1-CD2 4.04Å
63S68.5Low75.1Confident79 Ų7963.8 Ų63.855%0.55238%0.381SS*.Hα-helixtrans-70.9-27.6175.346.70000113.6A59 E60 H65 P66A59-S63 PolarHBondContact O-N 3.16Å; A59-S63 PolarHBondContact O-OG 2.82Å; E60-S63 WeakPolarHBondContact CA-OG 3.46Å; E60-S63 WeakPolarHBondContact O-CA 3.49Å; E60-S63 PolarHBondContact O-N 3.16Å; E60-S63 PolarHBondContact O-OG 2.7Å; S63-H65 VanDerWaalsContact C-N 3.34Å; S63-P66 WeakPolarHBondContact O-CD 3.41Å
64D72.2Confident77Confident102 Ų10261.9 Ų61.955%0.54537%0.372SS..Hα-helixtrans-68.8-32.9172.6-66.5-20.1000112.4E60 I62 P66E60-D64 PolarHBondContact O-N 2.98Å; I62-D64 VanDerWaalsContact C-N 3.35Å; D64-P66 VanDerWaalsContact C-CD 3.46Å; D64-P66 WeakPolarHBondContact O-CD 3.35Å
65H75.2Confident79.2Confident87 Ų8764.5 Ų64.540%0.40339%0.386SS..SBendtrans-127.860.6-175.7-6578.7000111.3I62 S63 G67 E68 L69I62-H65 CarbonylContact O-C 3.26Å; I62-H65 VanDerWaalsContact O-C 3.26Å; I62-H65 PolarHBondContact O-N 3.16Å; S63-H65 VanDerWaalsContact C-N 3.34Å; H65-G67 PolarHBondContact O-N 3.13Å; H65-G67 VanDerWaalsContact O-N 3.08Å; H65-E68 HydrophobicContact CB-CB 4.31Å; H65-E68 IonicContact CD2-OE2 3.81Å; H65-E68 PolarHBondContact O-N 3.03Å; H65-E68 VanDerWaalsContact O-N 3.09Å; H65-L69 HydrophobicContact CB-CD1 4.23Å; H65-L69 HydrophobicContact CB-CG 4.35Å
66P73.1Confident81.5Confident108 Ų10860.3 Ų60.370%0.70136%0.363SS*.THydrogen-bonded Turntrans-65113.5-166.726.5-34.4000111.4I62 S63 D64I62-P66 VanDerWaalsContact O-CA 3.31Å; I62-P66 WeakPolarHBondContact O-CA 3.47Å; S63-P66 WeakPolarHBondContact O-CD 3.41Å; D64-P66 VanDerWaalsContact C-CD 3.46Å; D64-P66 WeakPolarHBondContact O-CD 3.35Å
67G77.3Confident83.2Confident61 Ų6158.5 Ų58.563%0.62936%0.355SS*.THydrogen-bonded Turntrans84.7-4.3179.600000115.7H65H65-G67 PolarHBondContact O-N 3.13Å; H65-G67 VanDerWaalsContact O-N 3.08Å
68E88Confident84.4Confident44 Ų4456.4 Ų56.421%0.20633%0.334CS..THydrogen-bonded Turntrans-79.7-35.3169.4-153.3-153131.400111.4H65 S80 V81 K97H65-E68 HydrophobicContact CB-CB 4.31Å; H65-E68 IonicContact CD2-OE2 3.81Å; H65-E68 PolarHBondContact O-N 3.03Å; H65-E68 VanDerWaalsContact O-N 3.09Å; E68-S80 CarbonylContact O-C 3.55Å; E68-S80 VanDerWaalsContact O-CA 3.31Å; E68-S80 WeakPolarHBondContact O-CA 3.34Å; E68-V81 PolarHBondContact O-N 3.26Å; E68-K97 WeakPolarHBondContact OE1-CD 3.39Å; E68-K97 WeakPolarHBondContact OE1-CE 3.39Å; E68-K97 IonicContact OE1-NZ 2.79Å; E68-K97 PolarHBondContact OE1-NZ 3.36Å; E68-K97 IonicContact OE2-NZ 3.85Å; E68-K97 PolarHBondContact OE2-NZ 2.63Å
69L92.9Very high85.6Confident13 Ų1354.8 Ų54.87%0.06833%0.326CS..EExtended strand (participates in β ladder)trans-109145.9-173-60.9179.1000113.2V61 H65 L78 C79 V99V61-L69 HydrophobicContact CG1-CD1 4.07Å; H65-L69 HydrophobicContact CB-CD1 4.23Å; H65-L69 HydrophobicContact CB-CG 4.35Å; L69-L78 HydrophobicContact CB-CB 4.49Å; L69-L78 HydrophobicContact CD1-CB 4.47Å; L69-L78 HydrophobicContact CD1-CD1 4.15Å; L69-C79 CarbonylContact C-O 3.57Å; L69-C79 WeakPolarHBondContact CA-O 3.14Å; L69-V99 HydrophobicContact CD1-CG2 4.05Å; L69-V99 HydrophobicContact CD2-CG2 4.01Å
70V94.6Very high86.8Confident41 Ų4151.4 Ų51.425%0.24830%0.298CS..EExtended strand (participates in β ladder)trans-132.8147.6175.862.20000111L78 C79 V81 Y169V70-L78 WeakPolarHBondContact O-CA 3.44Å; V70-C79 WeakPolarHBondContact CG1-O 3.4Å; V70-C79 PolarHBondContact N-O 3.03Å; V70-C79 PolarHBondContact O-N 3.32Å; V70-V81 HydrophobicContact CB-CG2 3.91Å; V70-V81 HydrophobicContact CG1-CG2 4.1Å; V70-Y169 HydrophobicContact CG1-CD1 4.4Å; V70-Y169 HydrophobicContact CG1-CE1 3.74Å; V70-Y169 HydrophobicContact CG1-CE2 4.28Å
71K94.1Very high87.8Confident108 Ų10850.2 Ų50.247%0.4730%0.296SS..EExtended strand (participates in β ladder)trans-71.6136177.9-60.2-173.6173.9-178.90111.1M58 I62 L78M58-K71 HydrophobicContact CE-CB 4.29Å; M58-K71 HydrophobicContact CE-CD 4.27Å; M58-K71 HydrophobicContact CE-CG 4.05Å; M58-K71 HydrophobicContact SD-CD 3.95Å; M58-K71 HydrophobicContact SD-CG 3.84Å; I62-K71 HydrophobicContact CD1-CD 4.39Å; I62-K71 VanDerWaalsContact CD1-CE 3.49Å; I62-K71 HydrophobicContact CD1-CG 4Å; K71-L78 HydrophobicContact CB-CD2 4.39Å; K71-L78 HydrophobicContact CG-CD2 3.73Å
72T96.4Very high88.9Confident16 Ų1650.1 Ų50.110%0.09830%0.295CS..  trans-79.3-176.9163.965.70000110S74 F77 C79 I157 A167T72-S74 PolarHBondContact O-N 2.95Å; T72-S74 PolarHBondContact OG1-N 2.84Å; T72-S74 PolarHBondContact OG1-O 2.79Å; T72-F77 HydrophobicContact CG2-CB 4.34Å; T72-F77 PolarHBondContact N-O 3.48Å; T72-F77 PolarHBondContact OG1-O 2.66Å; T72-C79 HydrophobicContact CG2-CB 4.44Å; T72-I157 HydrophobicContact CG2-CD1 4.44Å; T72-A167 HydrophobicContact CG2-CB 4.08Å
73D95.8Very high89.9Confident99 Ų9949.4 Ų49.453%0.52929%0.294SS..SBendtrans-67.5-16.9166.564-4.7000113.7A167 T168D73-A167 WeakPolarHBondContact OD1-CA 3.39Å; D73-T168 PolarHBondContact N-O 3.41Å; D73-T168 VanDerWaalsContact N-O 3.12Å; D73-T168 PolarHBondContact OD1-N 3.2Å; D73-T168 WeakPolarHBondContact OD2-CB 3.45Å; D73-T168 PolarHBondContact OD2-OG1 2.89Å
74S94.1Very high91.2Very high19 Ų1951.4 Ų51.413%0.13330%0.302CS..SBendtrans-95.6133.2-178.3-177.40000111.6T72 N76 F77T72-S74 PolarHBondContact O-N 2.95Å; T72-S74 PolarHBondContact OG1-N 2.84Å; T72-S74 PolarHBondContact OG1-O 2.79Å; S74-N76 PolarHBondContact O-N 2.9Å; S74-N76 VanDerWaalsContact O-N 3.15Å; S74-F77 PolarHBondContact O-N 2.94Å; S74-F77 WeakPolarHBondContact OG-CD2 3.31Å
75P92.4Very high92.5Very high95 Ų9548.4 Ų48.462%0.61729%0.285SS*.THydrogen-bonded Turntrans-67.4-15-178.829.1-36.2000113.6M58M58-P75 VanDerWaalsContact CE-O 3.29Å; M58-P75 WeakPolarHBondContact CE-O 3.27Å
76N93.8Very high93.6Very high64 Ų6446.1 Ų46.134%0.34227%0.273SS..THydrogen-bonded Turntrans-90.7-10.6-175.3-62.4-7000113.4S74 L101 Q165S74-N76 PolarHBondContact O-N 2.9Å; S74-N76 VanDerWaalsContact O-N 3.15Å; N76-L101 PolarHBondContact O-N 3.25Å; N76-Q165 PolarHBondContact ND2-OE1 3.4Å
77F96.1Very high94.8Very high0 Ų047.2 Ų47.20%026%0.263CS..EExtended strand (participates in β ladder)trans-134.2125.1-165.5-61-69.1000114.1T72 S74 L98 T100 I104 V159 Q165 A167T72-F77 HydrophobicContact CG2-CB 4.34Å; T72-F77 PolarHBondContact N-O 3.48Å; T72-F77 PolarHBondContact OG1-O 2.66Å; S74-F77 PolarHBondContact O-N 2.94Å; S74-F77 WeakPolarHBondContact OG-CD2 3.31Å; F77-L98 HydrophobicContact CB-CD1 4.12Å; F77-L98 HydrophobicContact CD1-CD1 4.41Å; F77-L98 HydrophobicContact CD1-CD2 3.95Å; F77-L98 HydrophobicContact CD1-CG 4.24Å; F77-L98 HydrophobicContact CE1-CD2 4.36Å; F77-T100 HydrophobicContact CD1-CG2 3.83Å; F77-T100 HydrophobicContact CE1-CG2 3.62Å; F77-I104 HydrophobicContact CE1-CD1 3.72Å; F77-I104 HydrophobicContact CZ-CD1 3.79Å; F77-V159 HydrophobicContact CD1-CG2 4.38Å; F77-V159 HydrophobicContact CE1-CB 4.46Å; F77-V159 HydrophobicContact CE1-CG2 3.76Å; F77-V159 HydrophobicContact CZ-CB 4.27Å; F77-V159 HydrophobicContact CZ-CG2 3.9Å; F77-Q165 HydrophobicContact CE2-CB 3.9Å; F77-Q165 HydrophobicContact CZ-CB 4.01Å; F77-A167 HydrophobicContact CB-CB 4.02Å; F77-A167 HydrophobicContact CD2-CB 3.81Å; F77-A167 HydrophobicContact CG-CB 4.16Å
78L96.4Very high95.8Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-105.2149.1166.8-68.1173.8000109.3M58 V61 I62 L69 V70 K71 L98 V99 L101M58-L78 HydrophobicContact CE-CD2 4.09Å; M58-L78 HydrophobicContact CE-CG 4.48Å; M58-L78 HydrophobicContact SD-CD1 4.39Å; M58-L78 HydrophobicContact SD-CD2 3.4Å; M58-L78 WeakPolarHBondContact SD-CD2 3.5Å; M58-L78 HydrophobicContact SD-CG 3.81Å; V61-L78 HydrophobicContact CB-CD1 3.98Å; V61-L78 HydrophobicContact CG1-CD1 3.75Å; I62-L78 HydrophobicContact CD1-CD2 3.87Å; I62-L78 HydrophobicContact CG1-CD1 3.99Å; I62-L78 HydrophobicContact CG1-CD2 4.04Å; L69-L78 HydrophobicContact CB-CB 4.49Å; L69-L78 HydrophobicContact CD1-CB 4.47Å; L69-L78 HydrophobicContact CD1-CD1 4.15Å; V70-L78 WeakPolarHBondContact O-CA 3.44Å; K71-L78 HydrophobicContact CB-CD2 4.39Å; K71-L78 HydrophobicContact CG-CD2 3.73Å; L78-L98 CarbonylContact O-C 3.59Å; L78-L98 WeakPolarHBondContact O-CD1 3.45Å; L78-V99 HydrophobicContact CB-CB 4.22Å; L78-V99 PolarHBondContact N-O 3.11Å; L78-V99 PolarHBondContact O-N 3.1Å; L78-L101 HydrophobicContact CD1-CD2 4.45Å
79C96.6Very high96.3Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-137.3163.3173.166.50000111.9L69 V70 T72 F96 K97 L98 I157 Y169L69-C79 CarbonylContact C-O 3.57Å; L69-C79 WeakPolarHBondContact CA-O 3.14Å; V70-C79 WeakPolarHBondContact CG1-O 3.4Å; V70-C79 PolarHBondContact N-O 3.03Å; V70-C79 PolarHBondContact O-N 3.32Å; T72-C79 HydrophobicContact CG2-CB 4.44Å; C79-F96 HydrophobicContact CB-CE2 3.89Å; C79-F96 HydrophobicContact CB-CZ 3.72Å; C79-K97 CarbonylContact C-O 3.56Å; C79-K97 WeakPolarHBondContact CA-O 3.5Å; C79-K97 WeakPolarHBondContact CB-O 3.38Å; C79-L98 HydrophobicContact CB-CD1 4.09Å; C79-I157 HydrophobicContact CB-CD1 4.23Å; C79-Y169 VanDerWaalsContact SG-CD1 3.51Å
80S96.9Very high96.6Very high2 Ų251.6 Ų51.61%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-64.9138.1178.2-59.60000112E68 L82 F96 K97E68-S80 CarbonylContact O-C 3.55Å; E68-S80 VanDerWaalsContact O-CA 3.31Å; E68-S80 WeakPolarHBondContact O-CA 3.34Å; S80-L82 PolarHBondContact O-N 2.85Å; S80-F96 WeakPolarHBondContact O-CE2 3.31Å; S80-K97 PolarHBondContact N-O 2.68Å; S80-K97 WeakPolarHBondContact OG-CB 3.27Å; S80-K97 PolarHBondContact OG-N 3.38Å
81V96.9Very high96.7Very high61 Ų6152.5 Ų52.537%0.3728%0.276SS..PPolyproline II helixtrans-57.8128.7169.6175.50000109.5E68 V70E68-V81 PolarHBondContact O-N 3.26Å; V70-V81 HydrophobicContact CB-CG2 3.91Å; V70-V81 HydrophobicContact CG1-CG2 4.1Å
82L97.9Very high96.9Very high9 Ų948 Ų485%0.04726%0.257CS..PPolyproline II helixtrans-99.8150.2177.6-73.2174.5000111.8S80 T84 L92 F96 F143 L155 Y169 A172 I173S80-L82 PolarHBondContact O-N 2.85Å; L82-T84 PolarHBondContact O-N 3.39Å; L82-L92 HydrophobicContact CD2-CD1 3.67Å; L82-L92 HydrophobicContact CD2-CD2 4.04Å; L82-L92 HydrophobicContact CD2-CG 4.49Å; L82-F96 HydrophobicContact CD1-CD2 4.26Å; L82-F96 HydrophobicContact CD1-CE2 4.1Å; L82-F96 HydrophobicContact CD2-CD2 3.8Å; L82-F96 HydrophobicContact CD2-CE2 4.42Å; L82-F96 HydrophobicContact CG-CD2 4.03Å; L82-F96 HydrophobicContact CG-CE2 4.17Å; L82-F143 HydrophobicContact CD1-CZ 4.19Å; L82-L155 HydrophobicContact CD1-CD1 3.47Å; L82-L155 VanDerWaalsContact CD1-CD1 3.47Å; L82-Y169 HydrophobicContact CB-CE1 4.4Å; L82-Y169 HydrophobicContact CD1-CE1 4.33Å; L82-Y169 HydrophobicContact CG-CE1 4.36Å; L82-A172 HydrophobicContact CD1-CB 4.28Å; L82-I173 HydrophobicContact CB-CB 4.4Å; L82-I173 HydrophobicContact CB-CD1 4.34Å; L82-I173 HydrophobicContact CD1-CB 4.49Å; L82-I173 HydrophobicContact CD1-CG2 4.25Å
83P97.6Very high96.9Very high30 Ų3051.2 Ų51.220%0.19528%0.279CS..PPolyproline II helixtrans-58.7130.3171.4-2232.9000110.7H85 W86 P93 I173P83-H85 PolarHBondContact O-N 3.09Å; P83-W86 HydrophobicContact CB-CE3 3.93Å; P83-W86 HydrophobicContact CG-CD2 4.36Å; P83-W86 HydrophobicContact CG-CE3 4Å; P83-W86 HydrophobicContact CG-CZ3 4.45Å; P83-P93 HydrophobicContact CG-CG 3.58Å; P83-I173 WeakPolarHBondContact O-CD1 3.37Å; P83-I173 VanDerWaalsContact O-CG1 3.25Å; P83-I173 WeakPolarHBondContact O-CG1 3.5Å
84T97.7Very high96.8Very high120 Ų12050.8 Ų50.874%0.73628%0.275SS*.SBendtrans-58.5-24.5-179.459.40000113.2L82 K174L82-T84 PolarHBondContact O-N 3.39Å; T84-K174 WeakPolarHBondContact O-CB 3.44Å; T84-K174 PolarHBondContact O-N 2.76Å; T84-K174 VanDerWaalsContact O-N 3.09Å
85H98.5Very high96.9Very high39 Ų3951.7 Ų51.718%0.18128%0.284CS..EExtended strand (participates in β ladder)trans-142.6130173.6-174.7-178.8000109P83 K174 T176 G179 P180P83-H85 PolarHBondContact O-N 3.09Å; H85-K174 CarbonylContact C-O 3.19Å; H85-K174 VanDerWaalsContact CA-O 3.31Å; H85-K174 WeakPolarHBondContact CA-O 3.27Å; H85-K174 VanDerWaalsContact CD2-CE 3.43Å; H85-K174 WeakPolarHBondContact CD2-CE 3.42Å; H85-K174 PolarHBondContact CD2-O 3.32Å; H85-K174 WeakPolarHBondContact ND1-CE 3.48Å; H85-K174 PolarHBondContact ND1-NZ 2.68Å; H85-T176 PolarHBondContact NE2-OG1 3.08Å; H85-G179 PolarHBondContact CE1-O 3.29Å; H85-G179 WeakPolarHBondContact NE2-CA 3.43Å; H85-G179 PolarHBondContact NE2-O 3.01Å; H85-P180 HydrophobicContact CB-CG 4.18Å; H85-P180 WeakPolarHBondContact O-CD 3.38Å; H85-P180 WeakPolarHBondContact O-CG 3.43Å
86W98.6Very high97.1Very high39 Ų3947.2 Ų47.215%0.14825%0.254CS..EExtended strand (participates in β ladder)trans-136.9167.3174.6-156.1-119.4000113.7P83 K90 T91 L92 P93 I173 K174 I175 T176 G179P83-W86 HydrophobicContact CB-CE3 3.93Å; P83-W86 HydrophobicContact CG-CD2 4.36Å; P83-W86 HydrophobicContact CG-CE3 4Å; P83-W86 HydrophobicContact CG-CZ3 4.45Å; W86-K90 HydrophobicContact CH2-CD 4.5Å; W86-K90 HydrophobicContact CZ2-CD 3.77Å; W86-K90 VanDerWaalsContact CZ2-CE 3.42Å; W86-K90 HydrophobicContact CZ2-CG 4.12Å; W86-K90 PolarHBondContact NE1-O 2.86Å; W86-T91 WeakPolarHBondContact CZ2-O 3.35Å; W86-T91 PolarHBondContact NE1-O 3.16Å; W86-T91 VanDerWaalsContact NE1-O 3.07Å; W86-L92 HydrophobicContact CG-CD2 4.36Å; W86-P93 HydrophobicContact CH2-CB 4.1Å; W86-P93 HydrophobicContact CH2-CG 4.02Å; W86-P93 HydrophobicContact CZ2-CG 4.41Å; W86-P93 HydrophobicContact CZ3-CG 4.25Å; W86-I173 HydrophobicContact CB-CD1 3.83Å; W86-I173 HydrophobicContact CB-CG1 4.41Å; W86-K174 PolarHBondContact N-O 2.85Å; W86-I175 HydrophobicContact CB-CD1 3.85Å; W86-T176 PolarHBondContact O-N 2.77Å; W86-G179 WeakPolarHBondContact O-CA 3.36Å
87R98.5Very high97.3Very high131 Ų13146.5 Ų46.549%0.49425%0.248SC..EExtended strand (participates in β ladder)trans-88.4134.1178.1-173.2171.2-176-163.1-10110.6K90 T176 V177 D178R87-K90 HydrophobicContact CB-CB 3.99Å; R87-K90 HydrophobicContact CB-CD 4.1Å; R87-K90 HydrophobicContact CG-CB 4.4Å; R87-K90 PolarHBondContact O-N 2.92Å; R87-T176 CarbonylContact C-O 3.55Å; R87-T176 WeakPolarHBondContact CA-O 3.47Å; R87-V177 VanDerWaalsContact CG-O 3.3Å; R87-V177 WeakPolarHBondContact CG-O 3.15Å; R87-V177 PolarHBondContact NE-O 3.4Å; R87-D178 WeakPolarHBondContact CD-O 3.4Å
88C98.3Very high97.4Very high30 Ų3046.5 Ų46.520%0.20325%0.248CC..THydrogen-bonded Turntrans-61.4143.1176.763.30000112.3K90 F143 V144 I175 T176C88-K90 PolarHBondContact O-N 2.89Å; C88-F143 CarbonylContact C-O 3.08Å; C88-F143 WeakPolarHBondContact CA-O 3.16Å; C88-V144 WeakPolarHBondContact CB-O 3.49Å; C88-I175 HydrophobicContact CB-CG2 3.66Å; C88-T176 PolarHBondContact N-O 3.36Å
89N98.4Very high97.4Very high71 Ų7147 Ų4738%0.3825%0.251SS..THydrogen-bonded Turntrans55.912.5-176.8-156.711.5000115.6R125 R142 F143 V144N89-R125 WeakPolarHBondContact OD1-CD 3.47Å; N89-R125 PolarHBondContact OD1-NH1 2.92Å; N89-R142 VanDerWaalsContact O-CD 3.28Å; N89-R142 WeakPolarHBondContact O-CD 3.38Å; N89-R142 PolarHBondContact O-NH1 2.77Å; N89-F143 PolarHBondContact N-O 3.44Å; N89-V144 HydrophobicContact CB-CG2 4.29Å
90K98.1Very high97.3Very high109 Ų10947 Ų4747%0.47425%0.251SS..  trans-92.8130.3170.1-174.5-179.1167.562.90109.7W86 R87 C88W86-K90 HydrophobicContact CH2-CD 4.5Å; W86-K90 HydrophobicContact CZ2-CD 3.77Å; W86-K90 VanDerWaalsContact CZ2-CE 3.42Å; W86-K90 HydrophobicContact CZ2-CG 4.12Å; W86-K90 PolarHBondContact NE1-O 2.86Å; R87-K90 HydrophobicContact CB-CB 3.99Å; R87-K90 HydrophobicContact CB-CD 4.1Å; R87-K90 HydrophobicContact CG-CB 4.4Å; R87-K90 PolarHBondContact O-N 2.92Å; C88-K90 PolarHBondContact O-N 2.89Å
91T98.1Very high97.1Very high61 Ų6147.7 Ų47.737%0.37426%0.255SS..  trans-43.3135.4167-60.70000111.4W86 D140 R142W86-T91 WeakPolarHBondContact CZ2-O 3.35Å; W86-T91 PolarHBondContact NE1-O 3.16Å; W86-T91 VanDerWaalsContact NE1-O 3.07Å; T91-D140 WeakPolarHBondContact CA-OD1 3.46Å; T91-D140 WeakPolarHBondContact CB-OD1 3.31Å; T91-D140 WeakPolarHBondContact CG2-OD1 3.05Å; T91-D140 PolarHBondContact OG1-OD1 2.79Å; T91-R142 VanDerWaalsContact OG1-CZ 3.23Å; T91-R142 PolarHBondContact OG1-NE 2.83Å; T91-R142 PolarHBondContact OG1-NH2 2.86Å
92L98.1Very high96.6Very high13 Ų1346.4 Ų46.47%0.06825%0.254CS..  trans-65.4152.4174.9-69169000111.2L82 W86 I94 F96 L141 F143 I173L82-L92 HydrophobicContact CD2-CD1 3.67Å; L82-L92 HydrophobicContact CD2-CD2 4.04Å; L82-L92 HydrophobicContact CD2-CG 4.49Å; W86-L92 HydrophobicContact CG-CD2 4.36Å; L92-I94 VanDerWaalsContact CB-O 3.27Å; L92-I94 WeakPolarHBondContact CB-O 3.21Å; L92-I94 PolarHBondContact O-N 3.2Å; L92-F96 HydrophobicContact CD1-CB 4.22Å; L92-L141 HydrophobicContact CD1-CB 4.23Å; L92-L141 HydrophobicContact CD1-CD2 4.33Å; L92-L141 HydrophobicContact CD1-CG 4.37Å; L92-F143 HydrophobicContact CD1-CE2 4.29Å; L92-F143 HydrophobicContact CD2-CD2 4.47Å; L92-F143 HydrophobicContact CD2-CE2 4.22Å; L92-I173 HydrophobicContact CD2-CD1 4.2Å
93P96Very high96.3Very high84 Ų8452 Ų5255%0.54528%0.284SS..SBendtrans-71-23.1179.630.3-34000112.7P83 W86P83-P93 HydrophobicContact CG-CG 3.58Å; W86-P93 HydrophobicContact CH2-CB 4.1Å; W86-P93 HydrophobicContact CH2-CG 4.02Å; W86-P93 HydrophobicContact CZ2-CG 4.41Å; W86-P93 HydrophobicContact CZ3-CG 4.25Å
94I94.2Very high96.2Very high90 Ų9051 Ų5146%0.46228%0.277SS..SBendtrans-126.7139.1174.3-58.8175.8000106.8L92 F96L92-I94 VanDerWaalsContact CB-O 3.27Å; L92-I94 WeakPolarHBondContact CB-O 3.21Å; L92-I94 PolarHBondContact O-N 3.2Å; I94-F96 PolarHBondContact O-N 3.31Å
95A95.2Very high96.2Very high37 Ų3749.7 Ų49.731%0.30627%0.27SS..  trans-69.6121.5175.700000109.9K97A95-K97 PolarHBondContact O-N 2.9Å
96F98.2Very high96.1Very high1 Ų151.9 Ų51.90%0.00428%0.284CS..  trans-63.3131.8-178.9-173.9-107000111.3C79 S80 L82 L92 I94 V112 F138 L141 I157C79-F96 HydrophobicContact CB-CE2 3.89Å; C79-F96 HydrophobicContact CB-CZ 3.72Å; S80-F96 WeakPolarHBondContact O-CE2 3.31Å; L82-F96 HydrophobicContact CD1-CD2 4.26Å; L82-F96 HydrophobicContact CD1-CE2 4.1Å; L82-F96 HydrophobicContact CD2-CD2 3.8Å; L82-F96 HydrophobicContact CD2-CE2 4.42Å; L82-F96 HydrophobicContact CG-CD2 4.03Å; L82-F96 HydrophobicContact CG-CE2 4.17Å; L92-F96 HydrophobicContact CD1-CB 4.22Å; I94-F96 PolarHBondContact O-N 3.31Å; F96-V112 HydrophobicContact CD1-CG2 4.4Å; F96-V112 HydrophobicContact CE1-CG2 3.81Å; F96-F138 HydrophobicContact CB-CB 4.47Å; F96-F138 AromaticContact CD1-CD2 3.54Å; F96-F138 HydrophobicContact CD1-CD2 3.54Å; F96-F138 AromaticContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CG 4.05Å; F96-F138 HydrophobicContact CE1-CD2 4.17Å; F96-F138 HydrophobicContact CE1-CE2 4Å; F96-F138 WeakPolarHBondContact O-CB 3.32Å; F96-F138 WeakPolarHBondContact O-CD2 3.29Å; F96-F138 PolarHBondContact O-N 3.18Å; F96-L141 HydrophobicContact CB-CB 4.44Å; F96-L141 HydrophobicContact CB-CD2 3.77Å; F96-L141 HydrophobicContact CD1-CD2 3.64Å; F96-L141 HydrophobicContact CE1-CD2 4.42Å; F96-L141 HydrophobicContact CG-CD2 3.79Å; F96-I157 HydrophobicContact CE1-CD1 4.4Å; F96-I157 HydrophobicContact CZ-CD1 3.95Å
97K97.3Very high96Very high49 Ų4952.4 Ų52.421%0.21330%0.301CS..EExtended strand (participates in β ladder)trans-120.2147.2174.8-54.9168-172.7165.10109.4E68 C79 S80 A95 V135 A136E68-K97 WeakPolarHBondContact OE1-CD 3.39Å; E68-K97 WeakPolarHBondContact OE1-CE 3.39Å; E68-K97 IonicContact OE1-NZ 2.79Å; E68-K97 PolarHBondContact OE1-NZ 3.36Å; E68-K97 IonicContact OE2-NZ 3.85Å; E68-K97 PolarHBondContact OE2-NZ 2.63Å; C79-K97 CarbonylContact C-O 3.56Å; C79-K97 WeakPolarHBondContact CA-O 3.5Å; C79-K97 WeakPolarHBondContact CB-O 3.38Å; S80-K97 PolarHBondContact N-O 2.68Å; S80-K97 WeakPolarHBondContact OG-CB 3.27Å; S80-K97 PolarHBondContact OG-N 3.38Å; A95-K97 PolarHBondContact O-N 2.9Å; K97-V135 HydrophobicContact CB-CG1 4.2Å; K97-V135 HydrophobicContact CG-CG1 4.42Å; K97-A136 CarbonylContact C-O 3.59Å; K97-A136 WeakPolarHBondContact CA-O 3.4Å
98L97.5Very high96Very high0 Ų047 Ų470%028%0.282CS..EExtended strand (participates in β ladder)trans-106.2135.4153-17276.7000107.5F77 L78 C79 V110 V135 A136 F138 I157 V159F77-L98 HydrophobicContact CB-CD1 4.12Å; F77-L98 HydrophobicContact CD1-CD1 4.41Å; F77-L98 HydrophobicContact CD1-CD2 3.95Å; F77-L98 HydrophobicContact CD1-CG 4.24Å; F77-L98 HydrophobicContact CE1-CD2 4.36Å; L78-L98 CarbonylContact O-C 3.59Å; L78-L98 WeakPolarHBondContact O-CD1 3.45Å; C79-L98 HydrophobicContact CB-CD1 4.09Å; L98-V110 HydrophobicContact CD2-CG1 3.78Å; L98-V110 HydrophobicContact CD2-CG2 4.28Å; L98-V135 CarbonylContact O-C 3.57Å; L98-V135 WeakPolarHBondContact O-CA 3.28Å; L98-A136 HydrophobicContact CB-CB 4.28Å; L98-A136 PolarHBondContact N-O 3.39Å; L98-A136 PolarHBondContact O-N 2.8Å; L98-F138 HydrophobicContact CB-CE2 4.44Å; L98-I157 HydrophobicContact CD1-CD1 3.97Å; L98-I157 HydrophobicContact CD1-CG2 4.08Å; L98-I157 HydrophobicContact CD2-CG2 3.99Å; L98-V159 HydrophobicContact CD2-CG2 3.49Å; L98-V159 VanDerWaalsContact CD2-CG2 3.49Å
99V96.4Very high96Very high11 Ų1149.7 Ų49.77%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-118132.7175.2-176.80000108.2V61 L69 L78 Q134 V135V61-V99 HydrophobicContact CG1-CG1 4.17Å; L69-V99 HydrophobicContact CD1-CG2 4.05Å; L69-V99 HydrophobicContact CD2-CG2 4.01Å; L78-V99 HydrophobicContact CB-CB 4.22Å; L78-V99 PolarHBondContact N-O 3.11Å; L78-V99 PolarHBondContact O-N 3.1Å; V99-Q134 WeakPolarHBondContact CA-O 3.49Å; V99-V135 HydrophobicContact CG1-CG2 4.28Å; V99-V135 HydrophobicContact CG2-CG1 4.33Å; V99-V135 HydrophobicContact CG2-CG2 4.13Å
100T95.1Very high96Very high0 Ų046.3 Ų46.30%028%0.276CS..EExtended strand (participates in β ladder)trans-109.3130.2-173.366.90000110.1F77 I104 I131 Q134F77-T100 HydrophobicContact CD1-CG2 3.83Å; F77-T100 HydrophobicContact CE1-CG2 3.62Å; T100-I104 HydrophobicContact CG2-CD1 4.15Å; T100-I131 HydrophobicContact CG2-CD1 3.81Å; T100-I131 HydrophobicContact CG2-CG1 4.43Å; T100-Q134 PolarHBondContact N-O 2.92Å; T100-Q134 PolarHBondContact O-NE2 3.34Å; T100-Q134 WeakPolarHBondContact OG1-CA 3.44Å; T100-Q134 VanDerWaalsContact OG1-CD 3.29Å; T100-Q134 PolarHBondContact OG1-NE2 3.12Å; T100-Q134 PolarHBondContact OG1-O 2.96Å
101L91.7Very high96.1Very high16 Ų1642.7 Ų42.78%0.08426%0.263CS..SBendtrans-91.1-46.8-179.7-58.5-177.9000111.8I53 A54 M58 V61 N76 L78I53-L101 HydrophobicContact CG2-CD2 4.42Å; A54-L101 WeakPolarHBondContact CA-O 3.34Å; M58-L101 HydrophobicContact CB-CD1 4.13Å; M58-L101 HydrophobicContact CG-CD1 3.48Å; M58-L101 VanDerWaalsContact CG-CD1 3.48Å; M58-L101 HydrophobicContact SD-CD1 3.84Å; V61-L101 HydrophobicContact CB-CD2 4.3Å; V61-L101 HydrophobicContact CG2-CD2 3.79Å; N76-L101 PolarHBondContact O-N 3.25Å; L78-L101 HydrophobicContact CD1-CD2 4.45Å
102G88.1Confident96.1Very high34 Ų3440 Ų4035%0.35125%0.247SC..SBendtrans-69.7146.2169.900000111.8I104 Q134G102-I104 PolarHBondContact O-N 3.3Å; G102-Q134 PolarHBondContact O-NE2 3.15Å
103D91.5Very high96.1Very high126 Ų12643.5 Ų43.567%0.67426%0.264SS*.  trans-56.2117.1179-72.8-54.6000111.7A54A54-D103 WeakPolarHBondContact CB-OD1 3.27Å
104I95.6Very high96.2Very high9 Ų939.6 Ų39.65%0.04624%0.239CC..  trans-130.6124.6176.4-67.2178.2000108.4F77 T100 G102 D106 T108 I131 Q134 V159 T161F77-I104 HydrophobicContact CE1-CD1 3.72Å; F77-I104 HydrophobicContact CZ-CD1 3.79Å; T100-I104 HydrophobicContact CG2-CD1 4.15Å; G102-I104 PolarHBondContact O-N 3.3Å; I104-D106 PolarHBondContact O-N 2.85Å; I104-T108 HydrophobicContact CG2-CG2 3.83Å; I104-I131 HydrophobicContact CB-CD1 4.28Å; I104-I131 HydrophobicContact CG2-CD1 3.49Å; I104-I131 VanDerWaalsContact CG2-CD1 3.49Å; I104-Q134 PolarHBondContact O-OE1 3.17Å; I104-V159 HydrophobicContact CD1-CG1 4.11Å; I104-V159 HydrophobicContact CG2-CG1 4.39Å; I104-T161 HydrophobicContact CB-CG2 4.48Å; I104-T161 HydrophobicContact CD1-CG2 4.07Å; I104-T161 HydrophobicContact CG1-CG2 4.02Å; I104-T161 HydrophobicContact CG2-CG2 3.75Å
105P96.1Very high96.4Very high93 Ų9336 Ų3660%0.60423%0.225SC*.  trans-64.8138-170.923.7-32.7000112.7T108P105-T108 VanDerWaalsContact O-CB 3.27Å; P105-T108 WeakPolarHBondContact O-CB 3.49Å; P105-T108 PolarHBondContact O-N 2.81Å; P105-T108 VanDerWaalsContact O-N 3.11Å; P105-T108 PolarHBondContact O-OG1 2.85Å
106D97Very high96.6Very high86 Ų8635.5 Ų35.546%0.4622%0.217SC..THydrogen-bonded Turntrans-50.9138.8170-84.424000111.2I104 I131 K132 N133I104-D106 PolarHBondContact O-N 2.85Å; D106-I131 WeakPolarHBondContact CA-O 3.27Å; D106-K132 WeakPolarHBondContact OD1-CA 3.43Å; D106-K132 WeakPolarHBondContact OD2-CA 3.29Å; D106-K132 VanDerWaalsContact OD2-CG 3.27Å; D106-K132 WeakPolarHBondContact OD2-CG 3.27Å; D106-N133 VanDerWaalsContact CG-N 3.35Å; D106-N133 PolarHBondContact OD1-N 3.27Å; D106-N133 PolarHBondContact OD2-N 2.88Å
107G97.5Very high96.6Very high50 Ų5042.1 Ų42.152%0.51525%0.252SS..THydrogen-bonded Turntrans94.5-14.9-171.200000114.1L109 V130 I131G107-L109 PolarHBondContact O-N 2.88Å; G107-V130 VanDerWaalsContact CA-CG1 3.47Å; G107-I131 PolarHBondContact N-O 3.38Å
108T98.4Very high96.5Very high16 Ų1645.2 Ų45.210%0.09827%0.267CS..  trans-59.6127.2174.4-60.90000110.9I104 P105 I131 V159 T161I104-T108 HydrophobicContact CG2-CG2 3.83Å; P105-T108 VanDerWaalsContact O-CB 3.27Å; P105-T108 WeakPolarHBondContact O-CB 3.49Å; P105-T108 PolarHBondContact O-N 2.81Å; P105-T108 VanDerWaalsContact O-N 3.11Å; P105-T108 PolarHBondContact O-OG1 2.85Å; T108-I131 HydrophobicContact CG2-CD1 4.14Å; T108-I131 PolarHBondContact O-N 3Å; T108-V159 HydrophobicContact CG2-CG1 3.82Å; T108-T161 HydrophobicContact CG2-CG2 4.23Å
109L98.4Very high96.5Very high87 Ų8747.3 Ų47.346%0.45528%0.278SS..EExtended strand (participates in β ladder)trans-72.8149.5177.5-70.1170.8000111.7G107 T128 V130 F160G107-L109 PolarHBondContact O-N 2.88Å; L109-T128 HydrophobicContact CD2-CG2 4.24Å; L109-V130 HydrophobicContact CD2-CG2 4.12Å; L109-F160 HydrophobicContact CB-CB 4.2Å; L109-F160 HydrophobicContact CB-CD2 4.05Å; L109-F160 HydrophobicContact CB-CG 4.34Å; L109-F160 WeakPolarHBondContact O-CD2 3.17Å; L109-F160 PolarHBondContact O-N 2.88Å
110V98.6Very high96.5Very high0 Ų057.1 Ų57.10%032%0.316CS..EExtended strand (participates in β ladder)trans-133.3134.5169.8-172.40000109L98 T128 A129 I131 A136 F138 I157 T158 V159L98-V110 HydrophobicContact CD2-CG1 3.78Å; L98-V110 HydrophobicContact CD2-CG2 4.28Å; V110-T128 CarbonylContact O-C 3.46Å; V110-T128 WeakPolarHBondContact O-CA 3.5Å; V110-A129 PolarHBondContact N-O 2.83Å; V110-A129 PolarHBondContact O-N 3.06Å; V110-I131 HydrophobicContact CG2-CD1 3.77Å; V110-I131 HydrophobicContact CG2-CG1 3.64Å; V110-A136 HydrophobicContact CB-CB 4.12Å; V110-A136 HydrophobicContact CG2-CB 3.65Å; V110-F138 HydrophobicContact CB-CZ 4.15Å; V110-F138 HydrophobicContact CG1-CE2 4.45Å; V110-F138 HydrophobicContact CG1-CZ 3.79Å; V110-I157 HydrophobicContact CG1-CG2 3.64Å; V110-T158 CarbonylContact C-O 3.56Å; V110-T158 VanDerWaalsContact CA-O 3.27Å; V110-T158 WeakPolarHBondContact CA-O 3.43Å; V110-V159 HydrophobicContact CG1-CG2 4.14Å; V110-V159 HydrophobicContact CG2-CG1 4.28Å; V110-V159 HydrophobicContact CG2-CG2 4.13Å
111T98.6Very high96.7Very high33 Ų3360.6 Ų60.620%0.20234%0.34CS..EExtended strand (participates in β ladder)trans-118.4155168610000111.8A127 T128 I157 T158 F160T111-A127 CarbonylContact C-O 3.59Å; T111-A127 VanDerWaalsContact CA-O 3.27Å; T111-A127 WeakPolarHBondContact CA-O 3.28Å; T111-T128 HydrophobicContact CG2-CG2 4.06Å; T111-I157 CarbonylContact O-C 3.57Å; T111-I157 WeakPolarHBondContact O-CA 3.27Å; T111-T158 PolarHBondContact N-O 3Å; T111-T158 PolarHBondContact O-N 2.96Å; T111-F160 HydrophobicContact CG2-CE2 3.82Å; T111-F160 HydrophobicContact CG2-CZ 4.33Å; T111-F160 WeakPolarHBondContact OG1-CE2 3.43Å
112V98.7Very high97Very high5 Ų560.2 Ų60.23%0.0334%0.339CS..EExtended strand (participates in β ladder)trans-115.8134.1169.2177.20000108.3F96 L124 A127 F138 L155 I157F96-V112 HydrophobicContact CD1-CG2 4.4Å; F96-V112 HydrophobicContact CE1-CG2 3.81Å; V112-L124 HydrophobicContact CB-CD1 4.47Å; V112-L124 HydrophobicContact CG1-CD1 4.07Å; V112-L124 WeakPolarHBondContact O-CD1 3.4Å; V112-A127 PolarHBondContact N-O 2.88Å; V112-F138 HydrophobicContact CB-CE1 4.49Å; V112-F138 HydrophobicContact CG2-CD1 4.45Å; V112-F138 HydrophobicContact CG2-CE1 3.66Å; V112-F138 HydrophobicContact CG2-CE2 4.31Å; V112-F138 HydrophobicContact CG2-CZ 3.58Å; V112-L155 HydrophobicContact CG1-CB 4.32Å; V112-L155 HydrophobicContact CG1-CD1 4.27Å; V112-L155 HydrophobicContact CG1-CD2 4.48Å; V112-I157 HydrophobicContact CG2-CG1 4.38Å; V112-I157 HydrophobicContact CG2-CG2 4.25Å
113M98.7Very high97.5Very high86 Ų8664.3 Ų64.342%0.42435%0.349SS..EExtended strand (participates in β ladder)trans-115.3153.9163.3-61.9-178.6-68.300108.7L155 T156M113-L155 CarbonylContact O-C 3.53Å; M113-L155 VanDerWaalsContact O-CA 3.27Å; M113-L155 WeakPolarHBondContact O-CA 3.38Å; M113-T156 HydrophobicContact CE-CG2 4.04Å; M113-T156 PolarHBondContact N-O 2.95Å; M113-T156 PolarHBondContact O-N 3.38Å
114A98.6Very high97.8Very high2 Ų259.8 Ų59.82%0.01733%0.325CS..EExtended strand (participates in β ladder)trans-131131.1177.400000109.5A122 L124 F143 F153 T154 L155A114-A122 HydrophobicContact CB-CB 4.37Å; A114-A122 WeakPolarHBondContact O-CB 3.48Å; A114-A122 PolarHBondContact O-N 3.2Å; A114-L124 HydrophobicContact CB-CD1 4.12Å; A114-L124 HydrophobicContact CB-CD2 3.98Å; A114-L124 HydrophobicContact CB-CG 4.39Å; A114-F143 HydrophobicContact CB-CD1 4.19Å; A114-F143 HydrophobicContact CB-CE1 3.96Å; A114-F153 HydrophobicContact CB-CB 4.15Å; A114-F153 HydrophobicContact CB-CD1 4.47Å; A114-F153 HydrophobicContact CB-CD2 4.1Å; A114-F153 HydrophobicContact CB-CG 4.02Å; A114-T154 WeakPolarHBondContact CA-O 3.19Å; A114-L155 HydrophobicContact CB-CD2 3.54Å
115G98.4Very high97.9Very high16 Ų1664 Ų6417%0.16534%0.34CS..EExtended strand (participates in β ladder)trans-154.8158.4-175.600000114.2N119 Y120 T154G115-N119 WeakPolarHBondContact CA-O 3.49Å; G115-Y120 WeakPolarHBondContact CA-O 3.22Å; G115-T154 PolarHBondContact N-O 3.36Å; G115-T154 PolarHBondContact O-N 3.22Å
116N98.3Very high98Very high26 Ų2662.8 Ų62.814%0.13933%0.329CS..BIsolated β-bridgetrans-162.2-177.5164.567.918.9000110.4E118 N119 Y120 S147 S152N116-E118 PolarHBondContact O-N 3.4Å; N116-E118 VanDerWaalsContact O-N 3.15Å; N116-E118 WeakPolarHBondContact OD1-CB 3.45Å; N116-E118 PolarHBondContact OD1-N 2.83Å; N116-N119 PolarHBondContact N-O 2.81Å; N116-N119 CarbonylContact O-C 3.09Å; N116-N119 PolarHBondContact O-N 2.94Å; N116-N119 VanDerWaalsContact O-O 3.11Å; N116-N119 PolarHBondContact OD1-N 3.31Å; N116-Y120 PolarHBondContact O-N 3.01Å; N116-S147 PolarHBondContact ND2-O 3.08Å; N116-S152 PolarHBondContact ND2-O 3.06Å
117D97.3Very high98.1Very high140 Ų14059.6 Ų59.675%0.74931%0.314SS*.THydrogen-bonded Turntrans-62.2-15.7-179.114.5-75.7000116K151D117-K151 WeakPolarHBondContact OD2-CE 3.38Å; D117-K151 IonicContact OD2-NZ 3.72Å; D117-K151 PolarHBondContact OD2-NZ 3.36Å
118E96.4Very high98.1Very high113 Ų11361.2 Ų61.253%0.52831%0.314SS..THydrogen-bonded Turntrans-86.4-27.2172.9-52.5-91.7119.500112N116 K151N116-E118 PolarHBondContact O-N 3.4Å; N116-E118 VanDerWaalsContact O-N 3.15Å; N116-E118 WeakPolarHBondContact OD1-CB 3.45Å; N116-E118 PolarHBondContact OD1-N 2.83Å; E118-K151 HydrophobicContact CG-CD 3.35Å; E118-K151 WeakPolarHBondContact OE1-CE 3.21Å; E118-K151 IonicContact OE1-NZ 2.68Å; E118-K151 PolarHBondContact OE1-NZ 3.14Å
119N97.1Very high98.1Very high44 Ų4460.8 Ų60.824%0.23531%0.312CS..BIsolated β-bridgetrans-157.289.1-165.9-174.6-1.3000108.2G115 N116 S121 A122 R146 F153G115-N119 WeakPolarHBondContact CA-O 3.49Å; N116-N119 PolarHBondContact N-O 2.81Å; N116-N119 CarbonylContact O-C 3.09Å; N116-N119 PolarHBondContact O-N 2.94Å; N116-N119 VanDerWaalsContact O-O 3.11Å; N116-N119 PolarHBondContact OD1-N 3.31Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 2.95Å; N119-S121 PolarHBondContact OD1-O 3.15Å; N119-A122 WeakPolarHBondContact ND2-CB 3.36Å; N119-R146 PolarHBondContact ND2-O 3.14Å; N119-F153 HydrophobicContact CB-CE1 4.2Å
120Y97.4Very high98.1Very high218 Ų21860.3 Ų60.386%0.85531%0.313SS*.SBendtrans-57.6-38.5-170.3174.4-102.1000113.4G115 N116G115-Y120 WeakPolarHBondContact CA-O 3.22Å; N116-Y120 PolarHBondContact O-N 3.01Å
121S97.8Very high98.1Very high73 Ų7360.3 Ų60.351%0.5131%0.313SS..SBendtrans-143.7106.2172.7-171.60000109.1N119N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 2.95Å; N119-S121 PolarHBondContact OD1-O 3.15Å
122A98.1Very high98Very high7 Ų765.6 Ų65.66%0.05833%0.333CS..  trans-82.8141.6-174.900000112A114 N119 L124 F153A114-A122 HydrophobicContact CB-CB 4.37Å; A114-A122 WeakPolarHBondContact O-CB 3.48Å; A114-A122 PolarHBondContact O-N 3.2Å; N119-A122 WeakPolarHBondContact ND2-CB 3.36Å; A122-L124 PolarHBondContact O-N 3.07Å; A122-F153 HydrophobicContact CB-CD1 4.42Å; A122-F153 HydrophobicContact CB-CE1 3.56Å; A122-F153 HydrophobicContact CB-CE2 3.95Å; A122-F153 HydrophobicContact CB-CZ 3.26Å
123E98.2Very high97.9Very high121 Ų12171 Ų7157%0.56536%0.362SS*.  trans-59.5125.2173.3-171.5-160.4149.100111.1V144 G145E123-V144 HydrophobicContact CB-CB 4.11Å; E123-V144 HydrophobicContact CG-CB 3.99Å; E123-V144 HydrophobicContact CG-CG1 4.45Å; E123-V144 HydrophobicContact CG-CG2 4.47Å; E123-V144 WeakPolarHBondContact O-CA 3.47Å; E123-V144 PolarHBondContact O-N 2.94Å; E123-V144 WeakPolarHBondContact OE1-CG1 3.37Å; E123-V144 WeakPolarHBondContact OE2-CG1 3.3Å; E123-G145 PolarHBondContact O-N 3.01Å
124L98.6Very high97.7Very high31 Ų3167.9 Ų67.916%0.16235%0.346CS..EExtended strand (participates in β ladder)trans-122.8151175.3-58.5-176.9000110.1V112 A114 A122 A127 R142 F143V112-L124 HydrophobicContact CB-CD1 4.47Å; V112-L124 HydrophobicContact CG1-CD1 4.07Å; V112-L124 WeakPolarHBondContact O-CD1 3.4Å; A114-L124 HydrophobicContact CB-CD1 4.12Å; A114-L124 HydrophobicContact CB-CD2 3.98Å; A114-L124 HydrophobicContact CB-CG 4.39Å; A122-L124 PolarHBondContact O-N 3.07Å; L124-A127 HydrophobicContact CB-CB 3.7Å; L124-A127 HydrophobicContact CD1-CB 4Å; L124-R142 CarbonylContact C-O 3.17Å; L124-R142 WeakPolarHBondContact CA-O 3.25Å; L124-F143 HydrophobicContact CD2-CB 4.16Å; L124-F143 HydrophobicContact CD2-CD1 3.27Å; L124-F143 HydrophobicContact CD2-CE1 3.75Å; L124-F143 HydrophobicContact CD2-CG 3.91Å
125R98.5Very high97.5Very high96 Ų9669.9 Ų69.936%0.36236%0.358SS..EExtended strand (participates in β ladder)trans-112.2141.4169.7-66.4176.264.9-144-5.4109.6N89 A127 R142 V144N89-R125 WeakPolarHBondContact OD1-CD 3.47Å; N89-R125 PolarHBondContact OD1-NH1 2.92Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 2.71Å; R125-R142 HydrophobicContact CB-CB 4.3Å; R125-R142 PolarHBondContact N-O 2.94Å; R125-R142 PolarHBondContact O-N 2.88Å; R125-V144 HydrophobicContact CG-CG2 3.72Å
126N98.1Very high97.5Very high69 Ų6969.1 Ų69.137%0.36935%0.35SS..SBendtrans55.241.4-178.7-50.2-8.6000112.5T128 N139 D140N126-T128 PolarHBondContact O-N 2.82Å; N126-N139 WeakPolarHBondContact CB-O 3.1Å; N126-N139 PolarHBondContact ND2-O 3.09Å; N126-D140 PolarHBondContact ND2-O 2.88Å
127A98.2Very high97.5Very high19 Ų1976 Ų7616%0.15737%0.374CS..  trans-81.511.8-175.800000114.7T111 V112 L124 R125 L141T111-A127 CarbonylContact C-O 3.59Å; T111-A127 VanDerWaalsContact CA-O 3.27Å; T111-A127 WeakPolarHBondContact CA-O 3.28Å; V112-A127 PolarHBondContact N-O 2.88Å; L124-A127 HydrophobicContact CB-CB 3.7Å; L124-A127 HydrophobicContact CD1-CB 4Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 2.71Å; A127-L141 HydrophobicContact CB-CD1 4.26Å
128T98.6Very high97.5Very high83 Ų8369.4 Ų69.451%0.50934%0.339SS..EExtended strand (participates in β ladder)trans-125.5138.1179.8-50.10000109.3L109 V110 T111 N126L109-T128 HydrophobicContact CD2-CG2 4.24Å; V110-T128 CarbonylContact O-C 3.46Å; V110-T128 WeakPolarHBondContact O-CA 3.5Å; T111-T128 HydrophobicContact CG2-CG2 4.06Å; N126-T128 PolarHBondContact O-N 2.82Å
129A98.4Very high97.6Very high8 Ų870 Ų707%0.06635%0.345CS..EExtended strand (participates in β ladder)trans-138.3173.6173.800000110.7V110 A136 F138V110-A129 PolarHBondContact N-O 2.83Å; V110-A129 PolarHBondContact O-N 3.06Å; A129-A136 HydrophobicContact CB-CB 4.03Å; A129-F138 HydrophobicContact CB-CD1 3.65Å; A129-F138 HydrophobicContact CB-CD2 3.81Å; A129-F138 HydrophobicContact CB-CE1 3.63Å; A129-F138 HydrophobicContact CB-CE2 3.81Å; A129-F138 HydrophobicContact CB-CG 3.74Å; A129-F138 HydrophobicContact CB-CZ 3.71Å
130V98.3Very high97.6Very high76 Ų7669.9 Ų69.946%0.46135%0.345SS..EExtended strand (participates in β ladder)trans-121.5133.8177.6-176.60000107.7G107 L109 A136G107-V130 VanDerWaalsContact CA-CG1 3.47Å; L109-V130 HydrophobicContact CD2-CG2 4.12Å; V130-A136 WeakPolarHBondContact O-CA 3.33Å
131I98.1Very high97.6Very high1 Ų159.6 Ų59.61%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-68.2130.7171.1-70.8169.7000109.1T100 I104 D106 G107 T108 V110 A136 V159T100-I131 HydrophobicContact CG2-CD1 3.81Å; T100-I131 HydrophobicContact CG2-CG1 4.43Å; I104-I131 HydrophobicContact CB-CD1 4.28Å; I104-I131 HydrophobicContact CG2-CD1 3.49Å; I104-I131 VanDerWaalsContact CG2-CD1 3.49Å; D106-I131 WeakPolarHBondContact CA-O 3.27Å; G107-I131 PolarHBondContact N-O 3.38Å; T108-I131 HydrophobicContact CG2-CD1 4.14Å; T108-I131 PolarHBondContact O-N 3Å; V110-I131 HydrophobicContact CG2-CD1 3.77Å; V110-I131 HydrophobicContact CG2-CG1 3.64Å; I131-A136 HydrophobicContact CG1-CB 3.82Å; I131-V159 HydrophobicContact CD1-CG1 3.68Å
132K97.1Very high97.7Very high144 Ų14458.8 Ų58.863%0.62629%0.29SS*.EExtended strand (participates in β ladder)trans-140.9129.5168.8-170-179.8-178173.10109.5D106 Q134 V135D106-K132 WeakPolarHBondContact OD1-CA 3.43Å; D106-K132 WeakPolarHBondContact OD2-CA 3.29Å; D106-K132 VanDerWaalsContact OD2-CG 3.27Å; D106-K132 WeakPolarHBondContact OD2-CG 3.27Å; K132-Q134 VanDerWaalsContact C-N 3.34Å; K132-Q134 PolarHBondContact O-N 2.91Å; K132-V135 PolarHBondContact N-O 2.72Å; K132-V135 PolarHBondContact O-N 3.44Å; K132-V135 VanDerWaalsContact O-O 3.04Å
133N94.6Very high97.7Very high118 Ų11858.6 Ų58.663%0.63129%0.288SS*.THydrogen-bonded Turntrans4753.8-174.2-60.6-31.1000112.1D106 V135D106-N133 VanDerWaalsContact CG-N 3.35Å; D106-N133 PolarHBondContact OD1-N 3.27Å; D106-N133 PolarHBondContact OD2-N 2.88Å; N133-V135 PolarHBondContact O-N 2.87Å; N133-V135 VanDerWaalsContact O-N 3.13Å
134Q94.8Very high97.7Very high21 Ų2154.4 Ų54.410%0.09827%0.271CS..THydrogen-bonded Turntrans62.112.6-177.6-59.9-70.1107.200115.8I53 V99 T100 G102 I104 K132I53-Q134 HydrophobicContact CB-CB 4.5Å; I53-Q134 HydrophobicContact CB-CG 4.3Å; I53-Q134 HydrophobicContact CD1-CB 4.27Å; I53-Q134 HydrophobicContact CG2-CB 4.34Å; I53-Q134 HydrophobicContact CG2-CG 4.48Å; V99-Q134 WeakPolarHBondContact CA-O 3.49Å; T100-Q134 PolarHBondContact N-O 2.92Å; T100-Q134 PolarHBondContact O-NE2 3.34Å; T100-Q134 WeakPolarHBondContact OG1-CA 3.44Å; T100-Q134 VanDerWaalsContact OG1-CD 3.29Å; T100-Q134 PolarHBondContact OG1-NE2 3.12Å; T100-Q134 PolarHBondContact OG1-O 2.96Å; G102-Q134 PolarHBondContact O-NE2 3.15Å; I104-Q134 PolarHBondContact O-OE1 3.17Å; K132-Q134 VanDerWaalsContact C-N 3.34Å; K132-Q134 PolarHBondContact O-N 2.91Å
135V96.1Very high97.7Very high43 Ų4353.6 Ų53.626%0.26127%0.27SS..EExtended strand (participates in β ladder)trans-131.7124.7-179.9-175.70000111.9K97 L98 V99 K132 N133K97-V135 HydrophobicContact CB-CG1 4.2Å; K97-V135 HydrophobicContact CG-CG1 4.42Å; L98-V135 CarbonylContact O-C 3.57Å; L98-V135 WeakPolarHBondContact O-CA 3.28Å; V99-V135 HydrophobicContact CG1-CG2 4.28Å; V99-V135 HydrophobicContact CG2-CG1 4.33Å; V99-V135 HydrophobicContact CG2-CG2 4.13Å; K132-V135 PolarHBondContact N-O 2.72Å; K132-V135 PolarHBondContact O-N 3.44Å; K132-V135 VanDerWaalsContact O-O 3.04Å; N133-V135 PolarHBondContact O-N 2.87Å; N133-V135 VanDerWaalsContact O-N 3.13Å
136A97.9Very high97.7Very high0 Ų055.7 Ų55.70%028%0.278CS..EExtended strand (participates in β ladder)trans-96.4106.1165.400000110.1K97 L98 V110 A129 V130 I131 F138K97-A136 CarbonylContact C-O 3.59Å; K97-A136 WeakPolarHBondContact CA-O 3.4Å; L98-A136 HydrophobicContact CB-CB 4.28Å; L98-A136 PolarHBondContact N-O 3.39Å; L98-A136 PolarHBondContact O-N 2.8Å; V110-A136 HydrophobicContact CB-CB 4.12Å; V110-A136 HydrophobicContact CG2-CB 3.65Å; A129-A136 HydrophobicContact CB-CB 4.03Å; V130-A136 WeakPolarHBondContact O-CA 3.33Å; I131-A136 HydrophobicContact CG1-CB 3.82Å; A136-F138 HydrophobicContact CB-CE2 4.38Å
137R97.5Very high97.7Very high172 Ų17252.4 Ų52.465%0.64926%0.26SS*.EExtended strand (participates in β ladder)trans-93.7118.2177-175.8-177.7179.8-140.41.8110.4
138F98.4Very high97.7Very high0 Ų052.2 Ų52.20%026%0.26CS..  trans-81.6129.1178.4-66.1-103.4000110.4F96 L98 V110 V112 A129 A136 D140 L141F96-F138 HydrophobicContact CB-CB 4.47Å; F96-F138 AromaticContact CD1-CD2 3.54Å; F96-F138 HydrophobicContact CD1-CD2 3.54Å; F96-F138 AromaticContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CG 4.05Å; F96-F138 HydrophobicContact CE1-CD2 4.17Å; F96-F138 HydrophobicContact CE1-CE2 4Å; F96-F138 WeakPolarHBondContact O-CB 3.32Å; F96-F138 WeakPolarHBondContact O-CD2 3.29Å; F96-F138 PolarHBondContact O-N 3.18Å; L98-F138 HydrophobicContact CB-CE2 4.44Å; V110-F138 HydrophobicContact CB-CZ 4.15Å; V110-F138 HydrophobicContact CG1-CE2 4.45Å; V110-F138 HydrophobicContact CG1-CZ 3.79Å; V112-F138 HydrophobicContact CB-CE1 4.49Å; V112-F138 HydrophobicContact CG2-CD1 4.45Å; V112-F138 HydrophobicContact CG2-CE1 3.66Å; V112-F138 HydrophobicContact CG2-CE2 4.31Å; V112-F138 HydrophobicContact CG2-CZ 3.58Å; A129-F138 HydrophobicContact CB-CD1 3.65Å; A129-F138 HydrophobicContact CB-CD2 3.81Å; A129-F138 HydrophobicContact CB-CE1 3.63Å; A129-F138 HydrophobicContact CB-CE2 3.81Å; A129-F138 HydrophobicContact CB-CG 3.74Å; A129-F138 HydrophobicContact CB-CZ 3.71Å; A136-F138 HydrophobicContact CB-CE2 4.38Å; F138-D140 PolarHBondContact O-N 2.78Å; F138-L141 HydrophobicContact CB-CB 4.03Å
139N97.4Very high97.6Very high126 Ų12659.9 Ų59.967%0.67428%0.28SS*.SBendtrans-83.3102-179.9-171.1-79000109.8N126 L141N126-N139 WeakPolarHBondContact CB-O 3.1Å; N126-N139 PolarHBondContact ND2-O 3.09Å; N139-L141 PolarHBondContact O-N 2.91Å
140D97.3Very high97.4Very high42 Ų4262.8 Ų62.823%0.22531%0.31CS..SBendtrans52.252.6178.2-177.538000113.2T91 N126 F138 R142T91-D140 WeakPolarHBondContact CA-OD1 3.46Å; T91-D140 WeakPolarHBondContact CB-OD1 3.31Å; T91-D140 WeakPolarHBondContact CG2-OD1 3.05Å; T91-D140 PolarHBondContact OG1-OD1 2.79Å; N126-D140 PolarHBondContact ND2-O 2.88Å; F138-D140 PolarHBondContact O-N 2.78Å; D140-R142 VanDerWaalsContact CG-NE 3.3Å; D140-R142 VanDerWaalsContact O-CG 3.31Å; D140-R142 WeakPolarHBondContact O-CG 3.45Å; D140-R142 PolarHBondContact O-N 2.9Å; D140-R142 IonicContact OD1-CZ 3.76Å; D140-R142 IonicContact OD1-NE 2.74Å; D140-R142 PolarHBondContact OD1-NE 3.36Å; D140-R142 VanDerWaalsContact OD1-NE 3.1Å; D140-R142 IonicContact OD1-NH2 3.5Å; D140-R142 IonicContact OD2-CZ 2.75Å; D140-R142 IonicContact OD2-NE 2.75Å; D140-R142 PolarHBondContact OD2-NE 2.82Å; D140-R142 IonicContact OD2-NH2 3.57Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å
141L98.6Very high97.4Very high2 Ų262.6 Ų62.61%0.0130%0.303CS..  trans-55.4126.1171.1176.665.3000109.9L92 F96 A127 F138 N139 F143L92-L141 HydrophobicContact CD1-CB 4.23Å; L92-L141 HydrophobicContact CD1-CD2 4.33Å; L92-L141 HydrophobicContact CD1-CG 4.37Å; F96-L141 HydrophobicContact CB-CB 4.44Å; F96-L141 HydrophobicContact CB-CD2 3.77Å; F96-L141 HydrophobicContact CD1-CD2 3.64Å; F96-L141 HydrophobicContact CE1-CD2 4.42Å; F96-L141 HydrophobicContact CG-CD2 3.79Å; A127-L141 HydrophobicContact CB-CD1 4.26Å; F138-L141 HydrophobicContact CB-CB 4.03Å; N139-L141 PolarHBondContact O-N 2.91Å; L141-F143 HydrophobicContact CD2-CZ 4.49Å
142R98.6Very high97.4Very high56 Ų5664.3 Ų64.321%0.21132%0.315CS..EExtended strand (participates in β ladder)trans-131.1142.3175.7-43-165.8-171.5-171.22.5112.6N89 T91 L124 R125 D140N89-R142 VanDerWaalsContact O-CD 3.28Å; N89-R142 WeakPolarHBondContact O-CD 3.38Å; N89-R142 PolarHBondContact O-NH1 2.77Å; T91-R142 VanDerWaalsContact OG1-CZ 3.23Å; T91-R142 PolarHBondContact OG1-NE 2.83Å; T91-R142 PolarHBondContact OG1-NH2 2.86Å; L124-R142 CarbonylContact C-O 3.17Å; L124-R142 WeakPolarHBondContact CA-O 3.25Å; R125-R142 HydrophobicContact CB-CB 4.3Å; R125-R142 PolarHBondContact N-O 2.94Å; R125-R142 PolarHBondContact O-N 2.88Å; D140-R142 VanDerWaalsContact CG-NE 3.3Å; D140-R142 VanDerWaalsContact O-CG 3.31Å; D140-R142 WeakPolarHBondContact O-CG 3.45Å; D140-R142 PolarHBondContact O-N 2.9Å; D140-R142 IonicContact OD1-CZ 3.76Å; D140-R142 IonicContact OD1-NE 2.74Å; D140-R142 PolarHBondContact OD1-NE 3.36Å; D140-R142 VanDerWaalsContact OD1-NE 3.1Å; D140-R142 IonicContact OD1-NH2 3.5Å; D140-R142 IonicContact OD2-CZ 2.75Å; D140-R142 IonicContact OD2-NE 2.75Å; D140-R142 PolarHBondContact OD2-NE 2.82Å; D140-R142 IonicContact OD2-NH2 3.57Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å
143F98.8Very high97.5Very high3 Ų357.4 Ų57.41%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-92.7116.8171.7-59.7-93.9000109.7L82 C88 N89 L92 A114 L124 L141 F153 L155 I173 I175L82-F143 HydrophobicContact CD1-CZ 4.19Å; C88-F143 CarbonylContact C-O 3.08Å; C88-F143 WeakPolarHBondContact CA-O 3.16Å; N89-F143 PolarHBondContact N-O 3.44Å; L92-F143 HydrophobicContact CD1-CE2 4.29Å; L92-F143 HydrophobicContact CD2-CD2 4.47Å; L92-F143 HydrophobicContact CD2-CE2 4.22Å; A114-F143 HydrophobicContact CB-CD1 4.19Å; A114-F143 HydrophobicContact CB-CE1 3.96Å; L124-F143 HydrophobicContact CD2-CB 4.16Å; L124-F143 HydrophobicContact CD2-CD1 3.27Å; L124-F143 HydrophobicContact CD2-CE1 3.75Å; L124-F143 HydrophobicContact CD2-CG 3.91Å; L141-F143 HydrophobicContact CD2-CZ 4.49Å; F143-F153 HydrophobicContact CD1-CD2 4.1Å; F143-F153 HydrophobicContact CD1-CE2 4.35Å; F143-L155 HydrophobicContact CE1-CD2 3.65Å; F143-L155 HydrophobicContact CZ-CD1 4.28Å; F143-L155 HydrophobicContact CZ-CD2 4.09Å; F143-I173 HydrophobicContact CD1-CG2 4.41Å; F143-I173 HydrophobicContact CD2-CD1 4.15Å; F143-I173 HydrophobicContact CE1-CG2 3.89Å; F143-I173 HydrophobicContact CE2-CD1 3.94Å; F143-I173 HydrophobicContact CE2-CG2 4.27Å; F143-I173 HydrophobicContact CZ-CG2 3.82Å; F143-I175 HydrophobicContact CB-CB 4.45Å; F143-I175 HydrophobicContact CB-CD1 3.6Å; F143-I175 HydrophobicContact CB-CG1 3.61Å; F143-I175 HydrophobicContact CB-CG2 4.08Å; F143-I175 HydrophobicContact CD1-CD1 4.49Å; F143-I175 HydrophobicContact CD1-CG1 4.21Å; F143-I175 HydrophobicContact CD2-CD1 3.9Å; F143-I175 HydrophobicContact CD2-CG1 4.48Å; F143-I175 HydrophobicContact CG-CD1 3.74Å; F143-I175 HydrophobicContact CG-CG1 3.85Å
144V98.5Very high97.7Very high33 Ų3353.1 Ų53.120%0.226%0.263CS..  trans-96.4-45.5176.2-174.90000110.3C88 N89 E123 R125C88-V144 WeakPolarHBondContact CB-O 3.49Å; N89-V144 HydrophobicContact CB-CG2 4.29Å; E123-V144 HydrophobicContact CB-CB 4.11Å; E123-V144 HydrophobicContact CG-CB 3.99Å; E123-V144 HydrophobicContact CG-CG1 4.45Å; E123-V144 HydrophobicContact CG-CG2 4.47Å; E123-V144 WeakPolarHBondContact O-CA 3.47Å; E123-V144 PolarHBondContact O-N 2.94Å; E123-V144 WeakPolarHBondContact OE1-CG1 3.37Å; E123-V144 WeakPolarHBondContact OE2-CG1 3.3Å; R125-V144 HydrophobicContact CG-CG2 3.72Å
145G97.8Very high97.9Very high13 Ų1352.1 Ų52.113%0.13426%0.259CS..SBendtrans-60.2145.1172.400000112.5E123 F153 I175E123-G145 PolarHBondContact O-N 3.01Å; G145-F153 WeakPolarHBondContact O-CE2 3.47Å; G145-F153 WeakPolarHBondContact O-CZ 3.36Å; G145-I175 WeakPolarHBondContact O-CG2 3.46Å
146R98.4Very high98Very high141 Ų14152.3 Ų52.353%0.53226%0.26SS..  trans-93.6148.2177.8-67.916856.6-169.9-5.3110.7N119 F153N119-R146 PolarHBondContact ND2-O 3.14Å; R146-F153 WeakPolarHBondContact O-CZ 3.38Å
147S98.4Very high98Very high0 Ų052.3 Ų52.30%026%0.26CS..  trans-95.26.8-175.566.70000115N116 K151 K174 I175N116-S147 PolarHBondContact ND2-O 3.08Å; S147-K151 WeakPolarHBondContact CB-O 3.37Å; S147-K151 WeakPolarHBondContact O-CB 3.41Å; S147-K151 PolarHBondContact OG-O 3.2Å; S147-K174 WeakPolarHBondContact OG-CA 3.48Å; S147-I175 PolarHBondContact N-O 2.84Å; S147-I175 PolarHBondContact OG-N 3.28Å
148G97.3Very high98.1Very high15 Ų1545.1 Ų45.116%0.15524%0.235CC..  trans90.2178.1-17500000114.6G150G148-G150 PolarHBondContact O-N 3.03Å
149R96.3Very high98.1Very high244 Ų24445.1 Ų45.192%0.92124%0.235SC*.SBendtrans-83.9113.4178.7-178.3-178.7173.9109.1-0.5109.9K151R149-K151 PolarHBondContact O-N 3.09Å
150G95.8Very high98.1Very high68 Ų6844 Ų4470%0.70122%0.224SC*.SBendtrans78-4.5177.400000115G148G148-G150 PolarHBondContact O-N 3.03Å
151K98.1Very high98.1Very high72 Ų7243.3 Ų43.331%0.31322%0.222SC..PPolyproline II helixtrans-96.4142.6176.7-72.6177172.1-168.30111.3D117 E118 S147 R149 K174D117-K151 WeakPolarHBondContact OD2-CE 3.38Å; D117-K151 IonicContact OD2-NZ 3.72Å; D117-K151 PolarHBondContact OD2-NZ 3.36Å; E118-K151 HydrophobicContact CG-CD 3.35Å; E118-K151 WeakPolarHBondContact OE1-CE 3.21Å; E118-K151 IonicContact OE1-NZ 2.68Å; E118-K151 PolarHBondContact OE1-NZ 3.14Å; S147-K151 WeakPolarHBondContact CB-O 3.37Å; S147-K151 WeakPolarHBondContact O-CB 3.41Å; S147-K151 PolarHBondContact OG-O 3.2Å; R149-K151 PolarHBondContact O-N 3.09Å; K151-K174 WeakPolarHBondContact O-CG 3.48Å
152S98.6Very high98Very high37 Ų3751 Ų5126%0.25926%0.263SS..PPolyproline II helixtrans-98.4158170.9-63.90000110.8N116 R171 I173N116-S152 PolarHBondContact ND2-O 3.06Å; S152-R171 VanDerWaalsContact CB-O 3.27Å; S152-R171 WeakPolarHBondContact CB-O 3.22Å; S152-R171 PolarHBondContact OG-O 2.99Å; S152-I173 CarbonylContact C-O 3.54Å; S152-I173 WeakPolarHBondContact CA-O 3.34Å
153F98.8Very high97.9Very high0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-74.3147.3160.4-67.7-51.3000111A114 N119 A122 F143 G145 R146 L155 R171 A172 I173 I175A114-F153 HydrophobicContact CB-CB 4.15Å; A114-F153 HydrophobicContact CB-CD1 4.47Å; A114-F153 HydrophobicContact CB-CD2 4.1Å; A114-F153 HydrophobicContact CB-CG 4.02Å; N119-F153 HydrophobicContact CB-CE1 4.2Å; A122-F153 HydrophobicContact CB-CD1 4.42Å; A122-F153 HydrophobicContact CB-CE1 3.56Å; A122-F153 HydrophobicContact CB-CE2 3.95Å; A122-F153 HydrophobicContact CB-CZ 3.26Å; F143-F153 HydrophobicContact CD1-CD2 4.1Å; F143-F153 HydrophobicContact CD1-CE2 4.35Å; G145-F153 WeakPolarHBondContact O-CE2 3.47Å; G145-F153 WeakPolarHBondContact O-CZ 3.36Å; R146-F153 WeakPolarHBondContact O-CZ 3.38Å; F153-L155 HydrophobicContact CB-CD2 4.35Å; F153-R171 CarbonylContact O-C 3.59Å; F153-R171 VanDerWaalsContact O-CA 3.27Å; F153-R171 WeakPolarHBondContact O-CA 3.02Å; F153-A172 PolarHBondContact O-N 3.32Å; F153-I173 HydrophobicContact CB-CG2 4.48Å; F153-I173 PolarHBondContact N-O 3.16Å; F153-I175 HydrophobicContact CD2-CB 4.41Å; F153-I175 HydrophobicContact CD2-CG1 3.87Å; F153-I175 HydrophobicContact CE2-CB 3.92Å; F153-I175 HydrophobicContact CE2-CG1 3.77Å
154T98.6Very high97.9Very high28 Ų2857 Ų5717%0.17231%0.309CS..EExtended strand (participates in β ladder)trans-92.9141.1153.1-77.40000107.9A114 G115 T168 Y169 Q170 R171A114-T154 WeakPolarHBondContact CA-O 3.19Å; G115-T154 PolarHBondContact N-O 3.36Å; G115-T154 PolarHBondContact O-N 3.22Å; T154-T168 HydrophobicContact CG2-CG2 3.36Å; T154-Y169 WeakPolarHBondContact CA-O 3.23Å; T154-Q170 VanDerWaalsContact CG2-OE1 3.29Å; T154-Q170 WeakPolarHBondContact OG1-CA 3.28Å; T154-Q170 PolarHBondContact OG1-OE1 2.82Å; T154-R171 PolarHBondContact OG1-N 3.04Å
155L98.6Very high97.8Very high0 Ų058 Ų580%031%0.311CS..EExtended strand (participates in β ladder)trans-100.9134.9175.4-50-173.8000110.7L82 V112 M113 A114 F143 F153 T168 Y169 A172 I173L82-L155 HydrophobicContact CD1-CD1 3.47Å; L82-L155 VanDerWaalsContact CD1-CD1 3.47Å; V112-L155 HydrophobicContact CG1-CB 4.32Å; V112-L155 HydrophobicContact CG1-CD1 4.27Å; V112-L155 HydrophobicContact CG1-CD2 4.48Å; M113-L155 CarbonylContact O-C 3.53Å; M113-L155 VanDerWaalsContact O-CA 3.27Å; M113-L155 WeakPolarHBondContact O-CA 3.38Å; A114-L155 HydrophobicContact CB-CD2 3.54Å; F143-L155 HydrophobicContact CE1-CD2 3.65Å; F143-L155 HydrophobicContact CZ-CD1 4.28Å; F143-L155 HydrophobicContact CZ-CD2 4.09Å; F153-L155 HydrophobicContact CB-CD2 4.35Å; L155-T168 CarbonylContact O-C 3.56Å; L155-T168 VanDerWaalsContact O-CA 3.28Å; L155-T168 WeakPolarHBondContact O-CA 3.45Å; L155-T168 VanDerWaalsContact O-CG2 3.23Å; L155-T168 WeakPolarHBondContact O-CG2 3.38Å; L155-Y169 HydrophobicContact CD1-CD1 4.49Å; L155-Y169 PolarHBondContact N-O 2.91Å; L155-Y169 PolarHBondContact O-N 2.95Å; L155-A172 HydrophobicContact CD1-CB 4.19Å; L155-A172 HydrophobicContact CG-CB 3.97Å; L155-I173 HydrophobicContact CD2-CG2 4.39Å
156T98.6Very high97.8Very high47 Ų4761 Ų6129%0.28833%0.327SS..EExtended strand (participates in β ladder)trans-108117169.7-54.20000107.6M113 V166M113-T156 HydrophobicContact CE-CG2 4.04Å; M113-T156 PolarHBondContact N-O 2.95Å; M113-T156 PolarHBondContact O-N 3.38Å; T156-V166 HydrophobicContact CG2-CG1 3.57Å
157I98.6Very high97.8Very high0 Ų054.3 Ų54.30%030%0.302CS..EExtended strand (participates in β ladder)trans-108.3118.3-176.9-45.3177.2000107.6T72 C79 F96 L98 V110 T111 V112 V166 A167T72-I157 HydrophobicContact CG2-CD1 4.44Å; C79-I157 HydrophobicContact CB-CD1 4.23Å; F96-I157 HydrophobicContact CE1-CD1 4.4Å; F96-I157 HydrophobicContact CZ-CD1 3.95Å; L98-I157 HydrophobicContact CD1-CD1 3.97Å; L98-I157 HydrophobicContact CD1-CG2 4.08Å; L98-I157 HydrophobicContact CD2-CG2 3.99Å; V110-I157 HydrophobicContact CG1-CG2 3.64Å; T111-I157 CarbonylContact O-C 3.57Å; T111-I157 WeakPolarHBondContact O-CA 3.27Å; V112-I157 HydrophobicContact CG2-CG1 4.38Å; V112-I157 HydrophobicContact CG2-CG2 4.25Å; I157-V166 CarbonylContact O-C 3.53Å; I157-V166 WeakPolarHBondContact O-CA 3.1Å; I157-A167 WeakPolarHBondContact CA-O 3.27Å; I157-A167 WeakPolarHBondContact CB-O 3.46Å; I157-A167 PolarHBondContact N-O 3.19Å; I157-A167 PolarHBondContact O-N 2.81Å
158T98.5Very high97.8Very high20 Ų2055.4 Ų55.412%0.12331%0.309CS..EExtended strand (participates in β ladder)trans-108.9123.6-178.2-57.10000109.6V110 T111 F160 V166V110-T158 CarbonylContact C-O 3.56Å; V110-T158 VanDerWaalsContact CA-O 3.27Å; V110-T158 WeakPolarHBondContact CA-O 3.43Å; T111-T158 PolarHBondContact N-O 3Å; T111-T158 PolarHBondContact O-N 2.96Å; T158-F160 HydrophobicContact CG2-CD2 4.21Å; T158-F160 HydrophobicContact CG2-CE1 4.25Å; T158-F160 HydrophobicContact CG2-CE2 3.74Å; T158-F160 HydrophobicContact CG2-CZ 3.77Å; T158-V166 HydrophobicContact CG2-CG2 4.4Å
159V98.4Very high97.8Very high0 Ų056.3 Ų56.30%031%0.308CS..EExtended strand (participates in β ladder)trans-105.5121.5175.1-175.90000108.5F77 L98 I104 T108 V110 I131 T161 P164 Q165F77-V159 HydrophobicContact CD1-CG2 4.38Å; F77-V159 HydrophobicContact CE1-CB 4.46Å; F77-V159 HydrophobicContact CE1-CG2 3.76Å; F77-V159 HydrophobicContact CZ-CB 4.27Å; F77-V159 HydrophobicContact CZ-CG2 3.9Å; L98-V159 HydrophobicContact CD2-CG2 3.49Å; L98-V159 VanDerWaalsContact CD2-CG2 3.49Å; I104-V159 HydrophobicContact CD1-CG1 4.11Å; I104-V159 HydrophobicContact CG2-CG1 4.39Å; T108-V159 HydrophobicContact CG2-CG1 3.82Å; V110-V159 HydrophobicContact CG1-CG2 4.14Å; V110-V159 HydrophobicContact CG2-CG1 4.28Å; V110-V159 HydrophobicContact CG2-CG2 4.13Å; I131-V159 HydrophobicContact CD1-CG1 3.68Å; V159-T161 HydrophobicContact CG1-CG2 4.27Å; V159-T161 PolarHBondContact O-N 2.93Å; V159-P164 WeakPolarHBondContact O-CA 3.48Å; V159-Q165 HydrophobicContact CB-CB 4.44Å; V159-Q165 PolarHBondContact N-O 2.94Å; V159-Q165 PolarHBondContact O-N 2.71Å
160F98.3Very high97.9Very high103 Ų10349.9 Ų49.945%0.45229%0.288SS..  trans-86.151.2-170.1-68.4-97.9000112.5L109 T111 T158L109-F160 HydrophobicContact CB-CB 4.2Å; L109-F160 HydrophobicContact CB-CD2 4.05Å; L109-F160 HydrophobicContact CB-CG 4.34Å; L109-F160 WeakPolarHBondContact O-CD2 3.17Å; L109-F160 PolarHBondContact O-N 2.88Å; T111-F160 HydrophobicContact CG2-CE2 3.82Å; T111-F160 HydrophobicContact CG2-CZ 4.33Å; T111-F160 WeakPolarHBondContact OG1-CE2 3.43Å; T158-F160 HydrophobicContact CG2-CD2 4.21Å; T158-F160 HydrophobicContact CG2-CE1 4.25Å; T158-F160 HydrophobicContact CG2-CE2 3.74Å; T158-F160 HydrophobicContact CG2-CZ 3.77Å
161T97.3Very high98Very high28 Ų2856.1 Ų56.117%0.17229%0.291CS..  trans-68.5176.3161.447.60000110.8I104 T108 V159 P163 P164 Q165I104-T161 HydrophobicContact CB-CG2 4.48Å; I104-T161 HydrophobicContact CD1-CG2 4.07Å; I104-T161 HydrophobicContact CG1-CG2 4.02Å; I104-T161 HydrophobicContact CG2-CG2 3.75Å; T108-T161 HydrophobicContact CG2-CG2 4.23Å; V159-T161 HydrophobicContact CG1-CG2 4.27Å; V159-T161 PolarHBondContact O-N 2.93Å; T161-P163 VanDerWaalsContact C-C 3.42Å; T161-P163 CarbonylContact C-O 3.54Å; T161-P163 WeakPolarHBondContact CB-O 3.45Å; T161-P163 CarbonylContact O-C 3.56Å; T161-P163 PolarHBondContact OG1-O 2.66Å; T161-P164 VanDerWaalsContact O-CA 3.28Å; T161-P164 WeakPolarHBondContact O-CA 3.31Å; T161-Q165 PolarHBondContact OG1-NE2 3.06Å; T161-Q165 VanDerWaalsContact OG1-NE2 3.09Å
162N95.8Very high98Very high164 Ų16453 Ų5388%0.87728%0.278SS*.SBendtrans-119.3107.8168.8-172.112.6000109.7
163P96.7Very high98Very high100 Ų10051.2 Ų51.265%0.64927%0.266SS*.SBendcis-68.3158.8-230.6-36.5000112.8T161T161-P163 VanDerWaalsContact C-C 3.42Å; T161-P163 CarbonylContact C-O 3.54Å; T161-P163 WeakPolarHBondContact CB-O 3.45Å; T161-P163 CarbonylContact O-C 3.56Å; T161-P163 PolarHBondContact OG1-O 2.66Å
164P97.8Very high98Very high83 Ų8354 Ų5454%0.53928%0.278SS..  trans-63.5140.4174.6-22.834.3000111.7V159 T161V159-P164 WeakPolarHBondContact O-CA 3.48Å; T161-P164 VanDerWaalsContact O-CA 3.28Å; T161-P164 WeakPolarHBondContact O-CA 3.31Å
165Q97.5Very high98Very high54 Ų5452.7 Ų52.725%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-105.4146.1175.5-73.2173.287.800110.3N76 F77 V159 T161N76-Q165 PolarHBondContact ND2-OE1 3.4Å; F77-Q165 HydrophobicContact CE2-CB 3.9Å; F77-Q165 HydrophobicContact CZ-CB 4.01Å; V159-Q165 HydrophobicContact CB-CB 4.44Å; V159-Q165 PolarHBondContact N-O 2.94Å; V159-Q165 PolarHBondContact O-N 2.71Å; T161-Q165 PolarHBondContact OG1-NE2 3.06Å; T161-Q165 VanDerWaalsContact OG1-NE2 3.09Å
166V97.9Very high98Very high77 Ų7754.1 Ų54.147%0.46728%0.278SS..EExtended strand (participates in β ladder)trans-126.1140.5177.4-178.40000109.1T156 I157 T158T156-V166 HydrophobicContact CG2-CG1 3.57Å; I157-V166 CarbonylContact O-C 3.53Å; I157-V166 WeakPolarHBondContact O-CA 3.1Å; T158-V166 HydrophobicContact CG2-CG2 4.4Å
167A97.9Very high97.9Very high0 Ų055.3 Ų55.30%029%0.286CS..EExtended strand (participates in β ladder)trans-137.3139.4175.400000109.9T72 D73 F77 I157T72-A167 HydrophobicContact CG2-CB 4.08Å; D73-A167 WeakPolarHBondContact OD1-CA 3.39Å; F77-A167 HydrophobicContact CB-CB 4.02Å; F77-A167 HydrophobicContact CD2-CB 3.81Å; F77-A167 HydrophobicContact CG-CB 4.16Å; I157-A167 WeakPolarHBondContact CA-O 3.27Å; I157-A167 WeakPolarHBondContact CB-O 3.46Å; I157-A167 PolarHBondContact N-O 3.19Å; I157-A167 PolarHBondContact O-N 2.81Å
168T98.3Very high97.8Very high23 Ų2358.9 Ų58.914%0.14130%0.304CS..EExtended strand (participates in β ladder)trans-118.2130.8-171.7-34.50000111.3D73 T154 L155D73-T168 PolarHBondContact N-O 3.41Å; D73-T168 VanDerWaalsContact N-O 3.12Å; D73-T168 PolarHBondContact OD1-N 3.2Å; D73-T168 WeakPolarHBondContact OD2-CB 3.45Å; D73-T168 PolarHBondContact OD2-OG1 2.89Å; T154-T168 HydrophobicContact CG2-CG2 3.36Å; L155-T168 CarbonylContact O-C 3.56Å; L155-T168 VanDerWaalsContact O-CA 3.28Å; L155-T168 WeakPolarHBondContact O-CA 3.45Å; L155-T168 VanDerWaalsContact O-CG2 3.23Å; L155-T168 WeakPolarHBondContact O-CG2 3.38Å
169Y98.1Very high97.7Very high34 Ų3458.1 Ų58.113%0.13330%0.301CS..EExtended strand (participates in β ladder)trans-106.796.9170.4-172.8-178.5000109.1V70 C79 L82 T154 L155 A172V70-Y169 HydrophobicContact CG1-CD1 4.4Å; V70-Y169 HydrophobicContact CG1-CE1 3.74Å; V70-Y169 HydrophobicContact CG1-CE2 4.28Å; C79-Y169 VanDerWaalsContact SG-CD1 3.51Å; L82-Y169 HydrophobicContact CB-CE1 4.4Å; L82-Y169 HydrophobicContact CD1-CE1 4.33Å; L82-Y169 HydrophobicContact CG-CE1 4.36Å; T154-Y169 WeakPolarHBondContact CA-O 3.23Å; L155-Y169 HydrophobicContact CD1-CD1 4.49Å; L155-Y169 PolarHBondContact N-O 2.91Å; L155-Y169 PolarHBondContact O-N 2.95Å; Y169-A172 HydrophobicContact CD1-CB 3.56Å; Y169-A172 HydrophobicContact CD2-CB 3.69Å; Y169-A172 HydrophobicContact CE1-CB 3.7Å; Y169-A172 HydrophobicContact CE2-CB 3.82Å; Y169-A172 HydrophobicContact CG-CB 3.54Å
170Q97.9Very high97.7Very high110 Ų11061.7 Ų61.751%0.51432%0.324SS..EExtended strand (participates in β ladder)trans-69.3130.4-174.6-67-67.4-11.600112.8T154 A172T154-Q170 VanDerWaalsContact CG2-OE1 3.29Å; T154-Q170 WeakPolarHBondContact OG1-CA 3.28Å; T154-Q170 PolarHBondContact OG1-OE1 2.82Å; Q170-A172 PolarHBondContact O-N 3.28Å; Q170-A172 VanDerWaalsContact O-N 3.14Å
171R97.4Very high97.5Very high199 Ų19963.7 Ų63.775%0.75133%0.328SS*.EExtended strand (participates in β ladder)trans55.523.7177.1-57.5179.2-68.5-133.9-1.9115.2S152 F153 T154 I173S152-R171 VanDerWaalsContact CB-O 3.27Å; S152-R171 WeakPolarHBondContact CB-O 3.22Å; S152-R171 PolarHBondContact OG-O 2.99Å; F153-R171 CarbonylContact O-C 3.59Å; F153-R171 VanDerWaalsContact O-CA 3.27Å; F153-R171 WeakPolarHBondContact O-CA 3.02Å; T154-R171 PolarHBondContact OG1-N 3.04Å; R171-I173 PolarHBondContact O-N 3.43Å
172A98Very high97.3Very high6 Ų669.5 Ų69.55%0.0535%0.353CS..EExtended strand (participates in β ladder)trans-49.9-44-169.800000115.5L82 F153 L155 Y169 Q170L82-A172 HydrophobicContact CD1-CB 4.28Å; F153-A172 PolarHBondContact O-N 3.32Å; L155-A172 HydrophobicContact CD1-CB 4.19Å; L155-A172 HydrophobicContact CG-CB 3.97Å; Y169-A172 HydrophobicContact CD1-CB 3.56Å; Y169-A172 HydrophobicContact CD2-CB 3.69Å; Y169-A172 HydrophobicContact CE1-CB 3.7Å; Y169-A172 HydrophobicContact CE2-CB 3.82Å; Y169-A172 HydrophobicContact CG-CB 3.54Å; Q170-A172 PolarHBondContact O-N 3.28Å; Q170-A172 VanDerWaalsContact O-N 3.14Å
173I98.6Very high97.1Very high0 Ų067.7 Ų67.70%035%0.351CS..EExtended strand (participates in β ladder)trans-153.6133.6-167.4-176.8158.2000113.5L82 P83 W86 L92 F143 S152 F153 L155 R171 I175L82-I173 HydrophobicContact CB-CB 4.4Å; L82-I173 HydrophobicContact CB-CD1 4.34Å; L82-I173 HydrophobicContact CD1-CB 4.49Å; L82-I173 HydrophobicContact CD1-CG2 4.25Å; P83-I173 WeakPolarHBondContact O-CD1 3.37Å; P83-I173 VanDerWaalsContact O-CG1 3.25Å; P83-I173 WeakPolarHBondContact O-CG1 3.5Å; W86-I173 HydrophobicContact CB-CD1 3.83Å; W86-I173 HydrophobicContact CB-CG1 4.41Å; L92-I173 HydrophobicContact CD2-CD1 4.2Å; F143-I173 HydrophobicContact CD1-CG2 4.41Å; F143-I173 HydrophobicContact CD2-CD1 4.15Å; F143-I173 HydrophobicContact CE1-CG2 3.89Å; F143-I173 HydrophobicContact CE2-CD1 3.94Å; F143-I173 HydrophobicContact CE2-CG2 4.27Å; F143-I173 HydrophobicContact CZ-CG2 3.82Å; S152-I173 CarbonylContact C-O 3.54Å; S152-I173 WeakPolarHBondContact CA-O 3.34Å; F153-I173 HydrophobicContact CB-CG2 4.48Å; F153-I173 PolarHBondContact N-O 3.16Å; L155-I173 HydrophobicContact CD2-CG2 4.39Å; R171-I173 PolarHBondContact O-N 3.43Å; I173-I175 HydrophobicContact CD1-CD1 3.66Å; I173-I175 HydrophobicContact CG1-CD1 3.58Å; I173-I175 HydrophobicContact CG1-CG1 4.14Å
174K98.6Very high96.8Very high59 Ų5972.8 Ų72.826%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-96.4127.3171.2175.2-176.873.4-163.40110.6T84 H85 W86 S147 K151 T176T84-K174 WeakPolarHBondContact O-CB 3.44Å; T84-K174 PolarHBondContact O-N 2.76Å; T84-K174 VanDerWaalsContact O-N 3.09Å; H85-K174 CarbonylContact C-O 3.19Å; H85-K174 VanDerWaalsContact CA-O 3.31Å; H85-K174 WeakPolarHBondContact CA-O 3.27Å; H85-K174 VanDerWaalsContact CD2-CE 3.43Å; H85-K174 WeakPolarHBondContact CD2-CE 3.42Å; H85-K174 PolarHBondContact CD2-O 3.32Å; H85-K174 WeakPolarHBondContact ND1-CE 3.48Å; H85-K174 PolarHBondContact ND1-NZ 2.68Å; W86-K174 PolarHBondContact N-O 2.85Å; S147-K174 WeakPolarHBondContact OG-CA 3.48Å; K151-K174 WeakPolarHBondContact O-CG 3.48Å; K174-T176 HydrophobicContact CG-CG2 4.39Å
175I98.7Very high96.1Very high0 Ų080.4 Ų80.40%038%0.375CS..EExtended strand (participates in β ladder)trans-116.9122.1-175-59.9-64.2000111.5W86 C88 F143 G145 S147 F153 I173W86-I175 HydrophobicContact CB-CD1 3.85Å; C88-I175 HydrophobicContact CB-CG2 3.66Å; F143-I175 HydrophobicContact CB-CB 4.45Å; F143-I175 HydrophobicContact CB-CD1 3.6Å; F143-I175 HydrophobicContact CB-CG1 3.61Å; F143-I175 HydrophobicContact CB-CG2 4.08Å; F143-I175 HydrophobicContact CD1-CD1 4.49Å; F143-I175 HydrophobicContact CD1-CG1 4.21Å; F143-I175 HydrophobicContact CD2-CD1 3.9Å; F143-I175 HydrophobicContact CD2-CG1 4.48Å; F143-I175 HydrophobicContact CG-CD1 3.74Å; F143-I175 HydrophobicContact CG-CG1 3.85Å; G145-I175 WeakPolarHBondContact O-CG2 3.46Å; S147-I175 PolarHBondContact N-O 2.84Å; S147-I175 PolarHBondContact OG-N 3.28Å; F153-I175 HydrophobicContact CD2-CB 4.41Å; F153-I175 HydrophobicContact CD2-CG1 3.87Å; F153-I175 HydrophobicContact CE2-CB 3.92Å; F153-I175 HydrophobicContact CE2-CG1 3.77Å; I173-I175 HydrophobicContact CD1-CD1 3.66Å; I173-I175 HydrophobicContact CG1-CD1 3.58Å; I173-I175 HydrophobicContact CG1-CG1 4.14Å
176T98.3Very high94.9Very high30 Ų3086 Ų8618%0.18440%0.401CS..EExtended strand (participates in β ladder)trans-134.7168.6177.975.20000112.5H85 W86 R87 C88 K174 D178 G179H85-T176 PolarHBondContact NE2-OG1 3.08Å; W86-T176 PolarHBondContact O-N 2.77Å; R87-T176 CarbonylContact C-O 3.55Å; R87-T176 WeakPolarHBondContact CA-O 3.47Å; C88-T176 PolarHBondContact N-O 3.36Å; K174-T176 HydrophobicContact CG-CG2 4.39Å; T176-D178 VanDerWaalsContact C-N 3.3Å; T176-D178 PolarHBondContact O-N 2.86Å; T176-G179 PolarHBondContact OG1-N 3Å
177V98Very high93.6Very high72 Ų7293.3 Ų93.344%0.43642%0.42SS..SBendtrans-62.3-35.6-179.4-178.90000113R87R87-V177 VanDerWaalsContact CG-O 3.3Å; R87-V177 WeakPolarHBondContact CG-O 3.15Å; R87-V177 PolarHBondContact NE-O 3.4Å
178D96.3Very high91.8Very high74 Ų74101.3 Ų101.340%0.39646%0.458SS..SBendtrans-90.2-35.6179.6-73.712.1000112.1R87 T176 R181R87-D178 WeakPolarHBondContact CD-O 3.4Å; T176-D178 VanDerWaalsContact C-N 3.3Å; T176-D178 PolarHBondContact O-N 2.86Å; D178-R181 HydrophobicContact CB-CB 4.43Å; D178-R181 IonicContact OD1-NH1 3.89Å; D178-R181 WeakPolarHBondContact OD2-CD 3.39Å; D178-R181 IonicContact OD2-CZ 2.82Å; D178-R181 IonicContact OD2-NE 3.16Å; D178-R181 IonicContact OD2-NH1 2.7Å; D178-R181 PolarHBondContact OD2-NH1 3.04Å
179G96.8Very high89.8Confident4 Ų4107.5 Ų107.54%0.04148%0.483CS..  trans71.9-157.5-162.200000112.6H85 W86 T176H85-G179 PolarHBondContact CE1-O 3.29Å; H85-G179 WeakPolarHBondContact NE2-CA 3.43Å; H85-G179 PolarHBondContact NE2-O 3.01Å; W86-G179 WeakPolarHBondContact O-CA 3.36Å; T176-G179 PolarHBondContact OG1-N 3Å
180P96.8Very high87.8Confident75 Ų75112.9 Ų112.949%0.48751%0.513SS..SBendtrans-55.2135.4162.4-21.633.4000109.8H85H85-P180 HydrophobicContact CB-CG 4.18Å; H85-P180 WeakPolarHBondContact O-CD 3.38Å; H85-P180 WeakPolarHBondContact O-CG 3.43Å
181R95.1Very high85.8Confident146 Ų146113 Ų11355%0.55152%0.517SS*.  trans-152.1144.9-175.8-176.3176.1-177.6168.59.7110.1D178D178-R181 HydrophobicContact CB-CB 4.43Å; D178-R181 IonicContact OD1-NH1 3.89Å; D178-R181 WeakPolarHBondContact OD2-CD 3.39Å; D178-R181 IonicContact OD2-CZ 2.82Å; D178-R181 IonicContact OD2-NE 3.16Å; D178-R181 IonicContact OD2-NH1 2.7Å; D178-R181 PolarHBondContact OD2-NH1 3.04Å
182E92.4Very high83.2Confident149 Ų149111.4 Ų111.470%0.69652%0.518SS*.  trans-63.3146.6-179.2-59.363.7-133.500111R184E182-R184 PolarHBondContact O-N 3.3Å; E182-R184 VanDerWaalsContact O-N 3.08Å
183P93.1Very high80.9Confident127 Ų127117.1 Ų117.183%0.82555%0.552SS**  trans-54117.2171.1-26.135.3000111.3R185P183-R185 PolarHBondContact O-N 3.36Å; P183-R185 VanDerWaalsContact O-N 3.14Å
184R88.8Confident78.7Confident207 Ų207126.3 Ų126.378%0.78159%0.592SS**  trans-65.2115.8179.6-64.9-171.2-631641109.4E182 H186E182-R184 PolarHBondContact O-N 3.3Å; E182-R184 VanDerWaalsContact O-N 3.08Å; R184-H186 PolarHBondContact O-N 3.06Å
185R83.9Confident76.3Confident243 Ų243129 Ų12992%0.91762%0.615SS**  trans-54.5135.1174.1-66-176.9-178.7-118.70.7109.9P183 R187P183-R185 PolarHBondContact O-N 3.36Å; P183-R185 VanDerWaalsContact O-N 3.14Å; R185-R187 PolarHBondContact O-N 3.48Å
186H72.9Confident74.1Confident171 Ų171132.8 Ų132.879%0.79266%0.655SS**  trans-69.298.6177.1-178.5-81.8000109.7R184 Q188R184-H186 PolarHBondContact O-N 3.06Å; H186-Q188 PolarHBondContact O-N 2.75Å
187R70.9Confident72.1Confident230 Ų230136.9 Ų136.987%0.86869%0.685SS**  trans-59.2110.5173.2172.1172.7168.1163.3-4.8108.5R185 K189R185-R187 PolarHBondContact O-N 3.48Å; R187-K189 PolarHBondContact O-N 3.36Å
188Q59.3Low70.2Confident169 Ų169138.6 Ų138.679%0.7969%0.691SS**  trans-55.9130.3167.8-76.3173.6-3500108.7H186 L190H186-Q188 PolarHBondContact O-N 2.75Å; Q188-L190 PolarHBondContact O-N 2.75Å; Q188-L190 VanDerWaalsContact O-N 3.16Å
189K56.5Low68.6Low153 Ų153138.6 Ų138.667%0.66570%0.701SS**  trans-80.494.8179.4-176176.6-177.1-74.90107.2R187 D191R187-K189 PolarHBondContact O-N 3.36Å; K189-D191 IonicContact NZ-OD1 2.62Å; K189-D191 PolarHBondContact NZ-OD1 3.04Å; K189-D191 IonicContact NZ-OD2 2.64Å; K189-D191 PolarHBondContact NZ-OD2 3.3Å; K189-D191 PolarHBondContact O-N 3.15Å
190L55.7Low66.7Low147 Ų147146.9 Ų146.977%0.7774%0.736SS**  trans-67.3102.8165.7-172.5148.8000106.9Q188 E192Q188-L190 PolarHBondContact O-N 2.75Å; Q188-L190 VanDerWaalsContact O-N 3.16Å; L190-E192 HydrophobicContact CD2-CB 3.85Å
191D55.5Low65.1Low113 Ų113145.9 Ų145.960%0.60473%0.731SS**  trans-86.5101.7169.8-89.3-42.8000109K189K189-D191 IonicContact NZ-OD1 2.62Å; K189-D191 PolarHBondContact NZ-OD1 3.04Å; K189-D191 IonicContact NZ-OD2 2.64Å; K189-D191 PolarHBondContact NZ-OD2 3.3Å; K189-D191 PolarHBondContact O-N 3.15Å
192E43.9Very low63.5Low165 Ų165142.5 Ų142.577%0.77172%0.724SS**  trans-134.493.4160.3-165.2174.4177.400108.4L190 K194L190-E192 HydrophobicContact CD2-CB 3.85Å; E192-K194 PolarHBondContact O-N 2.72Å
193V48.8Very low62.1Low125 Ų125144.5 Ų144.576%0.75873%0.725SS**  trans-82.7104.4175.1176.90000107.8P195V193-P195 VanDerWaalsContact O-CD 3.27Å; V193-P195 WeakPolarHBondContact O-CD 3.19Å
194K53.2Low60.9Low194 Ų194143.7 Ų143.784%0.84371%0.713SS**  trans-86.2109.4168.2-172.5169.6-175.6171.60109.5E192E192-K194 PolarHBondContact O-N 2.72Å
195P47.1Very low60.2Low114 Ų114136.6 Ų136.674%0.7469%0.693SS**  trans-74.1148.6177.831.6-35000111.1V193V193-P195 VanDerWaalsContact O-CD 3.27Å; V193-P195 WeakPolarHBondContact O-CD 3.19Å
196G52.9Low59.4Low81 Ų81130.5 Ų130.584%0.83568%0.675SS**SBendtrans94.671.9167.500000116.3
197S55.4Low59.4Low116 Ų116127.7 Ų127.781%0.81167%0.665SS**  trans17481.1134.7-172.60000109.4
198L58.3Low59.5Low108 Ų108121.9 Ų121.957%0.56565%0.648SS**  trans-130.4129.1176.7-52.5171000107.9S201 D202L198-S201 VanDerWaalsContact CD2-CB 3.5Å; L198-D202 VanDerWaalsContact C-OD2 3.25Å; L198-D202 VanDerWaalsContact CB-CG 3.48Å; L198-D202 WeakPolarHBondContact CB-OD1 3.27Å; L198-D202 WeakPolarHBondContact CB-OD2 3.47Å
199A63.8Low60.1Low73 Ų73119.3 Ų119.360%0.60364%0.636SS**SBendtrans-162.4-48.4178.400000110.2
200F56.7Low60.6Low179 Ų179116.6 Ų116.679%0.78563%0.628SS**Hα-helixtrans-81.7-40.5163.8-97.2-90.7000111.9D202 R203 L204F200-D202 VanDerWaalsContact C-N 3.28Å; F200-D202 PolarHBondContact O-N 3.44Å; F200-R203 PolarHBondContact O-N 3.27Å; F200-L204 PolarHBondContact O-N 3.35Å
201S62Low61.1Low54 Ų54119.6 Ų119.638%0.37863%0.629SS.*Hα-helixtrans-58.6-38.6177.2-167.50000112.1L198 L204 T205L198-S201 VanDerWaalsContact CD2-CB 3.5Å; S201-L204 PolarHBondContact O-N 2.74Å; S201-T205 WeakPolarHBondContact O-CB 3.33Å; S201-T205 PolarHBondContact O-N 3.39Å; S201-T205 PolarHBondContact O-OG1 3.31Å
202D62Low61.4Low75 Ų75121.3 Ų121.340%0.40163%0.627SS.*Hα-helixtrans-65.7-41.6178.6-66.9-38.1000112.5L198 F200 L204 T205 E206L198-D202 VanDerWaalsContact C-OD2 3.25Å; L198-D202 VanDerWaalsContact CB-CG 3.48Å; L198-D202 WeakPolarHBondContact CB-OD1 3.27Å; L198-D202 WeakPolarHBondContact CB-OD2 3.47Å; F200-D202 VanDerWaalsContact C-N 3.28Å; F200-D202 PolarHBondContact O-N 3.44Å; D202-L204 PolarHBondContact O-N 2.8Å; D202-T205 CarbonylContact O-C 3.49Å; D202-T205 PolarHBondContact O-N 3.42Å; D202-E206 VanDerWaalsContact O-CB 3.24Å; D202-E206 WeakPolarHBondContact O-CB 3.4Å; D202-E206 PolarHBondContact O-N 3.47Å
203R63.3Low62.1Low190 Ų190115.9 Ų115.972%0.71761%0.607SS**Hα-helixtrans-66.8-35.9177.3-68.1-173.3178.4-148.1-1.2112.8F200 L207F200-R203 PolarHBondContact O-N 3.27Å; R203-L207 WeakPolarHBondContact O-CB 3.07Å; R203-L207 PolarHBondContact O-N 3.17Å
204L67.6Low62.5Low111 Ų111114.5 Ų114.558%0.58160%0.603SS**Hα-helixtrans-69.9-40.6172.4-69.3174.5000111.3F200 S201 D202 E206 L207 E208F200-L204 PolarHBondContact O-N 3.35Å; S201-L204 PolarHBondContact O-N 2.74Å; D202-L204 PolarHBondContact O-N 2.8Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-L207 PolarHBondContact O-N 3.39Å; L204-E208 PolarHBondContact O-N 2.77Å
205T75.4Confident62.8Low57 Ų57112.2 Ų112.235%0.3560%0.598SS.*Hα-helixtrans-65.2-37.3175.8-60.50000111.4S201 D202 E208 Q209S201-T205 WeakPolarHBondContact O-CB 3.33Å; S201-T205 PolarHBondContact O-N 3.39Å; S201-T205 PolarHBondContact O-OG1 3.31Å; D202-T205 CarbonylContact O-C 3.49Å; D202-T205 PolarHBondContact O-N 3.42Å; T205-E208 CarbonylContact O-C 3.36Å; T205-E208 PolarHBondContact O-N 3.24Å; T205-Q209 WeakPolarHBondContact O-CB 3.4Å; T205-Q209 VanDerWaalsContact O-CG 3.23Å; T205-Q209 WeakPolarHBondContact O-CG 3.46Å; T205-Q209 PolarHBondContact O-N 2.89Å
206E67.3Low63.5Low116 Ų116116.3 Ų116.354%0.54260%0.599SS.*Hα-helixtrans-65.8-43.6173.9-176.7176-150.700110.9D202 L204 E208 Q209 L210D202-E206 VanDerWaalsContact O-CB 3.24Å; D202-E206 WeakPolarHBondContact O-CB 3.4Å; D202-E206 PolarHBondContact O-N 3.47Å; L204-E206 VanDerWaalsContact C-N 3.34Å; E206-E208 PolarHBondContact O-N 3.48Å; E206-Q209 CarbonylContact O-C 3.5Å; E206-Q209 WeakPolarHBondContact O-CA 3.23Å; E206-Q209 WeakPolarHBondContact O-CB 3.47Å; E206-Q209 PolarHBondContact O-N 2.64Å; E206-Q209 VanDerWaalsContact O-N 3.08Å; E206-L210 HydrophobicContact CG-CD1 4.19Å; E206-L210 WeakPolarHBondContact O-CD1 3.34Å; E206-L210 PolarHBondContact O-N 2.86Å
207L72.9Confident63.3Low111 Ų111117.6 Ų117.658%0.58159%0.591SS**Hα-helixtrans-64.8-37.5174.6-171.362.9000112.4R203 L204 L210 R211R203-L207 WeakPolarHBondContact O-CB 3.07Å; R203-L207 PolarHBondContact O-N 3.17Å; L204-L207 PolarHBondContact O-N 3.39Å; L207-L210 PolarHBondContact O-N 3.08Å; L207-R211 PolarHBondContact O-N 3.48Å
208E71.8Confident62.7Low109 Ų109118 Ų11851%0.50959%0.588SS.*Hα-helixtrans-66.3-36.3168.3-82.2-159.3-154.500112.8L204 T205 E206 R211 R212L204-E208 PolarHBondContact O-N 2.77Å; T205-E208 CarbonylContact O-C 3.36Å; T205-E208 PolarHBondContact O-N 3.24Å; E206-E208 PolarHBondContact O-N 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.2Å; E208-R211 PolarHBondContact O-N 3.4Å; E208-R212 WeakPolarHBondContact O-CG 3.45Å; E208-R212 PolarHBondContact O-N 3.05Å; E208-R212 IonicContact OE2-CZ 3.16Å; E208-R212 IonicContact OE2-NH2 2.8Å; E208-R212 PolarHBondContact OE2-NH2 3.29Å
209Q71.6Confident62Low115 Ų115118 Ų11854%0.53760%0.595SS.*Hα-helixtrans-68.9-36175.2-78.6-178.940.300111.3T205 E206 R211 R212 S213T205-Q209 WeakPolarHBondContact O-CB 3.4Å; T205-Q209 VanDerWaalsContact O-CG 3.23Å; T205-Q209 WeakPolarHBondContact O-CG 3.46Å; T205-Q209 PolarHBondContact O-N 2.89Å; E206-Q209 CarbonylContact O-C 3.5Å; E206-Q209 WeakPolarHBondContact O-CA 3.23Å; E206-Q209 WeakPolarHBondContact O-CB 3.47Å; E206-Q209 PolarHBondContact O-N 2.64Å; E206-Q209 VanDerWaalsContact O-N 3.08Å; Q209-R211 VanDerWaalsContact C-N 3.31Å; Q209-R211 PolarHBondContact O-N 2.62Å; Q209-R212 CarbonylContact O-C 3.55Å; Q209-R212 WeakPolarHBondContact O-CA 3.34Å; Q209-R212 WeakPolarHBondContact O-CB 3.45Å; Q209-R212 PolarHBondContact O-N 3.17Å; Q209-S213 WeakPolarHBondContact O-CB 3.35Å; Q209-S213 PolarHBondContact O-N 3.38Å; Q209-S213 PolarHBondContact O-OG 2.73Å
210L66.8Low61Low96 Ų96120.2 Ų120.250%0.50360%0.603SS.*Hα-helixtrans-58.1-41.3173.6-102.267000111.8E206 L207 R212 S213 S214E206-L210 HydrophobicContact CG-CD1 4.19Å; E206-L210 WeakPolarHBondContact O-CD1 3.34Å; E206-L210 PolarHBondContact O-N 2.86Å; L207-L210 PolarHBondContact O-N 3.08Å; L210-R212 PolarHBondContact O-N 3.43Å; L210-S213 WeakPolarHBondContact CA-OG 3.17Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 2.95Å; L210-S214 WeakPolarHBondContact O-CB 3.24Å; L210-S214 PolarHBondContact O-N 3.42Å
211R66.2Low60.2Low209 Ų209120.2 Ų120.279%0.78961%0.605SS**Hα-helixtrans-60.6-28.5171-68.4-79.5-159.9145.56.2113L207 E208 Q209L207-R211 PolarHBondContact O-N 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.2Å; E208-R211 PolarHBondContact O-N 3.4Å; Q209-R211 VanDerWaalsContact C-N 3.31Å; Q209-R211 PolarHBondContact O-N 2.62Å
212R62.7Low58.9Low149 Ų149125.1 Ų125.156%0.56263%0.627SS**Hα-helixtrans-96.9-17.9-177.6-60.9172.2-164.6-164.49.2113.9E208 Q209 L210E208-R212 WeakPolarHBondContact O-CG 3.45Å; E208-R212 PolarHBondContact O-N 3.05Å; E208-R212 IonicContact OE2-CZ 3.16Å; E208-R212 IonicContact OE2-NH2 2.8Å; E208-R212 PolarHBondContact OE2-NH2 3.29Å; Q209-R212 CarbonylContact O-C 3.55Å; Q209-R212 WeakPolarHBondContact O-CA 3.34Å; Q209-R212 WeakPolarHBondContact O-CB 3.45Å; Q209-R212 PolarHBondContact O-N 3.17Å; L210-R212 PolarHBondContact O-N 3.43Å
213S57.7Low57.7Low52 Ų52130 Ų13036%0.36465%0.647SS.*Hα-helixtrans-98.4-34.1179.267.30000111.9Q209 L210 I215 R216 V217Q209-S213 WeakPolarHBondContact O-CB 3.35Å; Q209-S213 PolarHBondContact O-N 3.38Å; Q209-S213 PolarHBondContact O-OG 2.73Å; L210-S213 WeakPolarHBondContact CA-OG 3.17Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 2.95Å; S213-I215 PolarHBondContact O-N 3.22Å; S213-I215 VanDerWaalsContact O-N 3.14Å; S213-R216 CarbonylContact O-C 3.6Å; S213-R216 WeakPolarHBondContact O-CA 3.42Å; S213-R216 PolarHBondContact O-N 2.72Å; S213-V217 PolarHBondContact O-N 2.78Å
214S57.8Low56.3Low95 Ų95129 Ų12966%0.66465%0.651SS**G310 helixtrans-54-32.9172.4171.10000112.8L210 R216L210-S214 WeakPolarHBondContact O-CB 3.24Å; L210-S214 PolarHBondContact O-N 3.42Å; S214-R216 PolarHBondContact O-N 2.79Å
215I60.7Low54.8Low146 Ų146131.7 Ų131.775%0.74966%0.66SS**G310 helixtrans-73.9-11.8175.5-66171.7000112.8S213S213-I215 PolarHBondContact O-N 3.22Å; S213-I215 VanDerWaalsContact O-N 3.14Å
216R61.6Low52.8Low201 Ų201136.5 Ų136.576%0.75868%0.678SS**G310 helixtrans-1196.9-176.2-79.9-170.6-84.8-162.7-2.5114.9S213 S214S213-R216 CarbonylContact O-C 3.6Å; S213-R216 WeakPolarHBondContact O-CA 3.42Å; S213-R216 PolarHBondContact O-N 2.72Å; S214-R216 PolarHBondContact O-N 2.79Å
217V47.1Very low51.1Low108 Ų108139.4 Ų139.466%0.65569%0.692SS**  trans-104.970.3173.3-173.50000110.6S213S213-V217 PolarHBondContact O-N 2.78Å
218T44.6Very low49Very low124 Ų124139.3 Ų139.376%0.76170%0.7SS**  trans-97.9113147.149.60000106.6
219P43.5Very low47.1Very low109 Ų109140.6 Ų140.671%0.70872%0.715SS**PPolyproline II helixtrans-60.9133.9-177.2-23.833.8000111.5
220P41.9Very low45.1Very low119 Ų119142.8 Ų142.877%0.77373%0.731SS**PPolyproline II helixtrans-65.3138.4166.928.9-33.1000109.2N222P220-N222 PolarHBondContact O-N 3.37Å
221H39.1Very low43.5Very low178 Ų178142.2 Ų142.282%0.82474%0.735SS**PPolyproline II helixtrans-66.2122.1175.9-122-21000109.5H223H221-H223 PolarHBondContact O-N 3.28Å
222N36.3Very low41.9Very low158 Ų158140 Ų14085%0.84573%0.733SS**  trans-62.8106.8171-108.56.9000109.7P220 H224P220-N222 PolarHBondContact O-N 3.37Å; N222-H224 PolarHBondContact O-N 3.47Å
223H35.2Very low40.4Very low178 Ų178140.9 Ų140.982%0.82474%0.744SS**  trans-84.399.7162.8-95.732.8000109.1H221 H225H221-H223 PolarHBondContact O-N 3.28Å; H223-H225 PolarHBondContact O-N 3.02Å
224H35.4Very low39.1Very low169 Ų169144 Ų14478%0.78277%0.765SS**  trans-78.198.3176.4-175.379.9000109.5N222N222-H224 PolarHBondContact O-N 3.47Å
225H36.3Very low37.8Very low167 Ų167144.6 Ų144.677%0.77378%0.776SS**  trans-94.7118.8173.7-160.556.1000110H223H223-H225 PolarHBondContact O-N 3.02Å
226Q32.9Very low36.6Very low158 Ų158143.9 Ų143.974%0.73878%0.778SS**  trans-70.8139.7173.2-64.9174.3-17.900110.1
227Q30.2Very low35.2Very low177 Ų177141.7 Ų141.783%0.82778%0.781SS**  trans-134.5153.8150.8-76.7-160.6-12.300110.6
228S29.3Very low34.5Very low109 Ų109142.4 Ų142.476%0.76279%0.785SS**  trans-78.2156.6-164.4-176.10000113.6
229V32.8Very low33.7Very low136 Ų136142.1 Ų142.182%0.82479%0.788SS**  trans-48.6137.9163-99.60000112.3
230N29.5Very low33.1Very low160 Ų160141.8 Ų141.886%0.85680%0.795SS**  trans-149.5150.7133.3-143.8-2.4000110.3
231S32.6Very low32.6Very low85 Ų85142.1 Ų142.159%0.59480%0.795SS**  trans-97.6148.3-175.150.70000112.9
232H32.3Very low32.2Very low162 Ų162143.5 Ų143.575%0.7580%0.799SS**  174.9124.3120.1-90.6-66.4000113.5
233Q32.5Very low31.9Very low168 Ų168141 Ų14179%0.78579%0.794SS**  trans50.4109.1146.4-60.7-175.411.200122.3
234S28.8Very low31.7Very low116 Ų116138 Ų13881%0.81179%0.793SS**  64.8104.7118-520000121.8
235A31.6Very low32Very low108 Ų108135.6 Ų135.689%0.89379%0.792SS**  trans-138.8143.2138.600000109.2
236V35.1Very low32.4Very low132 Ų132133.1 Ų133.180%0.879%0.791SS**  trans-117.8145.5-174.6168.10000109.4
237L32.6Very low32.5Very low154 Ų154135 Ų13581%0.80680%0.799SS**  trans-173.8117.8134-99.6168.8000113.4
238T31.8Very low32.7Very low123 Ų123132.5 Ų132.576%0.75580%0.801SS**  trans41.6112.1147.753.20000121
239S28.8Very low32.9Very low118 Ų118130.7 Ų130.783%0.82580%0.8SS**  trans-81.1155.8145.350.80000111
240A30.8Very low32.9Very low103 Ų103131.9 Ų131.985%0.85180%0.801SS**  trans-123.9119.5174.200000110.5
241T29.9Very low32.9Very low125 Ų125130.6 Ų130.677%0.76780%0.799SS**  trans-102.8136.9172.5-57.10000108.5
242F31Very low32.8Very low208 Ų208130.8 Ų130.891%0.91281%0.806SS**  trans-124.7135.8172.4-128.2-87.3000111
243S30.1Very low32.7Very low104 Ų104130.5 Ų130.573%0.72781%0.81SS**  trans-105.6151.8-172.5-56.10000111.8
244S31.6Very low32.6Very low117 Ų117126.1 Ų126.182%0.81880%0.798SS**  trans-116.1136.1172.9-61.30000110.9
245P42.4Very low32.8Very low118 Ų118131.3 Ų131.377%0.76680%0.8SS**  trans-86.5151.7-179.634.3-34.9000113.1
246P43.9Very low33Very low114 Ų114134.7 Ų134.774%0.7480%0.797SS**  trans-100.7144.5174.136.9-31.4000113.1
247H34.9Very low33.1Very low198 Ų198136.6 Ų136.692%0.91780%0.801SS**  trans-145.4156.9159.5-87.2-75.4000110.1
248S34.8Very low33Very low124 Ų124138.1 Ų138.187%0.86780%0.804SS**  trans-148.7154.1-160.452.40000115.2
249G32.4Very low33.2Very low72 Ų72137.3 Ų137.374%0.74280%0.803SS**  trans102.8155.6165.200000116
250L33Very low33.3Very low160 Ų160137 Ų13784%0.83880%0.801SS**  cis-166.8161.5-13-123.5178.7000109.9
251T29.6Very low33.7Very low134 Ų134136.4 Ų136.482%0.82279%0.789SS**  trans65.7155.9174.7840000117
252A31.1Very low34Very low89 Ų89136.2 Ų136.274%0.73679%0.792SS**  cis-144.2138.53.500000114.6
253D30.6Very low34.2Very low155 Ų155137.2 Ų137.283%0.82979%0.79SS**  trans56.4149.1143.2-126.1-62.3000126.1
254S29.2Very low34.3Very low77 Ų77138.2 Ų138.254%0.53880%0.797SS.*  trans8098148.2-82.60000124
255R33.8Very low34.3Very low224 Ų224143.2 Ų143.285%0.84580%0.8SS**  97.1122.5118.1-71.7170.7-166.4-111.3-1.6121.6
256Q35Very low33.9Very low180 Ų180143.8 Ų143.884%0.84180%0.797SS**  trans72.9116137-65.3-88.2-89.500119
257I37.3Very low33.4Very low171 Ų171145.7 Ų145.788%0.87780%0.796SS**  trans-76.5134.4164.1-61.3160.8000108.4
258Q31.8Very low33.3Very low186 Ų186140.5 Ų140.587%0.86978%0.781SS**  trans-137.8143.2161.6-166.8165.9-8.800110.7
259S35.3Very low33.2Very low106 Ų106145.1 Ų145.174%0.74178%0.781SS**PPolyproline II helixtrans-81.7149.2-169.251.10000114.2
260S30.4Very low34Very low111 Ų111146.6 Ų146.678%0.77678%0.778SS**PPolyproline II helixtrans-57.1143.6174.3-45.90000113.3
261P40.7Very low33.9Very low92 Ų92149.6 Ų149.660%0.59778%0.78SS**PPolyproline II helixtrans-78.2142.8166.432.6-33.3000111.3
262S34.9Very low34.1Very low120 Ų120150.1 Ų150.184%0.83978%0.777SS**PPolyproline II helixtrans-90.6131.1171.1-58.10000110.4
263W35.8Very low34.1Very low229 Ų229149.3 Ų149.387%0.86778%0.777SS**  trans-103.2114176.3-42.4-63.9000111.3
264S32.5Very low34.4Very low125 Ų125150.6 Ų150.687%0.87478%0.778SS**  trans-77.5147.5164.4-53.70000109.8
265Y31.3Very low34.6Very low223 Ų223154.9 Ų154.988%0.87579%0.793SS**  trans-122.3117.2178.4-174.1-86.8000111.2
266D34.4Very low34.5Very low130 Ų130150.6 Ų150.670%0.69579%0.792SS**  trans-152.9157161.6-167.722.9000110.6
267Q32.5Very low34.6Very low154 Ų154147.6 Ų147.672%0.7279%0.786SS**  trans66.290.4168.6-44.6-153.411.900121
268S32.8Very low34.6Very low88 Ų88145.3 Ų145.362%0.61578%0.783SS**  58125.8106.4-55.50000123.6
269Y32.5Very low34.7Very low221 Ų221141.7 Ų141.787%0.86777%0.773SS**  trans74.7171.4151.9-61-55.5000118.7
270P49.2Very low34.5Very low104 Ų104143.3 Ų143.368%0.67578%0.778SS**  -140.1144.5-64.639.7-24.1000115.4
271Y31Very low34.5Very low222 Ų222145.3 Ų145.387%0.87178%0.775SS**  trans-154112.2156.7-102.9-89.9000108.4
272L35Very low33.9Very low145 Ų145146.2 Ų146.276%0.75978%0.779SS**  85.7120.285-171.771000113.8
273G30.9Very low33.6Very low72 Ų72147.5 Ų147.574%0.74278%0.782SS**  trans-142.2127.6163.100000109.2
274Q36.4Very low33.5Very low182 Ų182141 Ų14185%0.8578%0.777SS**  trans-84.7138.4-174.3-61.2174.5-71.200111.8
275I33.3Very low34.3Very low168 Ų168140.5 Ų140.586%0.86277%0.771SS**  trans-135136.2155.4-56.7-177.7000108.2
276T32.3Very low34.3Very low134 Ų134137.7 Ų137.782%0.82277%0.77SS**PPolyproline II helixtrans-74140.7-169.4-45.50000113.6
277T37.3Very low34.1Very low116 Ų116136.8 Ų136.871%0.71277%0.774SS**PPolyproline II helixtrans-100.7144.4165.549.90000111.6
278P35.9Very low35Very low124 Ų124135.8 Ų135.881%0.80578%0.781SS**PPolyproline II helixtrans-101.6122160.733.5-25.8000110.8
279T33.3Very low35Very low109 Ų109134.7 Ų134.767%0.66978%0.783SS**  trans-125118.5171.5-63.70000109.6
280V31.9Very low35.1Very low140 Ų140135.4 Ų135.485%0.84879%0.785SS**  trans-137.799.5170.9-1760000110.4
281H30.9Very low34.3Very low153 Ų153135 Ų13571%0.70878%0.784SS**  trans-15.2155.7142.9-68.9-69.7000117.4
282T28.4Very low34.4Very low111 Ų111129.4 Ų129.468%0.68178%0.778SS**  cis-173145.9-0.3-98.10000107.9
283T29Very low34.4Very low147 Ų147131.1 Ų131.190%0.90279%0.786SS**  trans-164145.8142.521.50000111
284A33.7Very low34.5Very low92 Ų92131.1 Ų131.176%0.7679%0.786SS**  trans-123.1-171.7174.200000108.5
285P48.1Very low34.4Very low115 Ų115130.3 Ų130.375%0.74779%0.788SS**  cis-129.9-171.4-9.142.3-26.6000112.9
286L30.9Very low34.6Very low165 Ų165130.7 Ų130.786%0.86479%0.791SS**  -178146129-99.2166.9000112.5
287S31.7Very low34.6Very low110 Ų110129.4 Ų129.477%0.76979%0.787SS**  trans-157.6152172.2-54.20000107.7
288P51Low34.4Very low133 Ų133127.7 Ų127.786%0.86478%0.78SS**  -147.4176.184.935.2-16000114
289G32.5Very low34.3Very low65 Ų65132.7 Ų132.767%0.6778%0.783SS**  cis151.5-170.2-5.700000112.8
290R34.3Very low34.4Very low237 Ų237135 Ų13589%0.89479%0.79SS**  trans74.3157.1170.8-46.7-175.279-146.64.6117.6
291S32.2Very low34.4Very low94 Ų94134.7 Ų134.766%0.65779%0.789SS**  164.3124.7-58.455.10000111.8
292S34.3Very low34.5Very low106 Ų106130.7 Ų130.774%0.74179%0.789SS**  trans175.6128.1152.151.80000115.6
293L34.9Very low35.5Very low180 Ų180130.9 Ų130.994%0.94279%0.792SS**  trans54.9154.1136.8-52.4172.1000120.5
294G31.6Very low35.6Very low72 Ų72130.6 Ų130.674%0.74279%0.785SS**  cis177.3159.2-3.900000111.6
295D35.5Very low35.7Very low165 Ų165134.2 Ų134.288%0.88279%0.791SS**  trans-69.3153.9-170.7-80.4-67.5000117.2
296L36.2Very low35.1Very low176 Ų176134.7 Ų134.792%0.92179%0.792SS**  trans-147.2135.5141.7-104.4-179.7000113.1
297S33.8Very low35.7Very low108 Ų108131.4 Ų131.476%0.75578%0.78SS**  trans-97.6172.1177.1-111.10000110.9
298S32.7Very low35.6Very low79 Ų79136.2 Ų136.255%0.55279%0.788SS**  cis-172.3179-2.351.80000110.2
299R33.7Very low34.7Very low229 Ų229132.8 Ų132.886%0.86478%0.776SS**  trans78.5145.5163.2-59.6151.5-168.4-101.8-4114.6
300L34.9Very low35.4Very low157 Ų157136.4 Ų136.482%0.82278%0.78SS**  cis-130.2170.632.4-75.7159.3000115.8
301T33.1Very low36Very low135 Ų135130.3 Ų130.383%0.82877%0.772SS**  trans-26.9157.5166.348.60000118.6
302G31.6Very low36.7Very low68 Ų68136.1 Ų136.170%0.70178%0.779SS**  cis-175.1-171.41600000112.7
303P50.3Low37.1Very low115 Ų115140 Ų14075%0.74779%0.788SS**  trans-114.1172.8-14242.2-37.8000118.7
304D30.9Very low37Very low142 Ų142136.2 Ų136.276%0.75978%0.782SS**  trans67.4146.9161-61.1-42.3000118
305L35.1Very low37.2Very low168 Ų168141 Ų14188%0.8879%0.79SS**  cis-131.8154.928.1-68.2156.2000114.6
306T36.1Very low37.2Very low125 Ų125139.4 Ų139.477%0.76778%0.777SS**  trans-89.1177156.661.30000109.3
307P43.4Very low37.2Very low96 Ų96140.4 Ų140.462%0.62377%0.769SS**  cis-143.4179.712.243.1-23.9000117.2
308F30.6Very low37.9Very low211 Ų211141.2 Ų141.293%0.92577%0.771SS**  trans55.6153167.9-61.1-72.8000117.2
309G31.6Very low37.9Very low61 Ų61147.1 Ų147.163%0.62979%0.787SS**  cis-177.4177-0.300000108.8P311G309-P311 WeakPolarHBondContact O-CD 3.39Å
310D45.8Very low37.7Very low140 Ų140141.7 Ų141.775%0.74979%0.785SS**  trans-69.1127.1-179.7176.711.9000112.7R312D310-R312 PolarHBondContact OD1-N 3.39Å
311P48.1Very low37.5Very low110 Ų110138.9 Ų138.971%0.71478%0.778SS**  trans-115.859.9171.339.8-25.2000113G309G309-P311 WeakPolarHBondContact O-CD 3.39Å
312R46.7Very low37.8Very low215 Ų215140.6 Ų140.681%0.81178%0.781SS**  trans-60.4134.6140.7-63.3-173.282.6122.20107.6D310D310-R312 PolarHBondContact OD1-N 3.39Å
313M41.8Very low38Very low189 Ų189143.2 Ų143.293%0.93179%0.786SS**  trans89.994.7-175.7-49.6-111.9-175.700115.2
314A33.1Very low37.5Very low99 Ų99143 Ų14382%0.81879%0.787SS**  trans-149.378.116100000109.8
315L36.8Very low37.8Very low172 Ų172144.5 Ų144.590%0.90179%0.794SS**  trans-150.387.7172.2-165.178.2000111.1
316E34.2Very low38.3Very low132 Ų132141.8 Ų141.862%0.61779%0.787SS**  trans-141.7119.9177.4-91.8-78-135.300112.1
317R36.3Very low38.4Very low198 Ų198142.7 Ų142.775%0.74779%0.787SS**  trans65.5161.6160.7-67.8172.9-170.587.129.9119.5
318P48.2Very low37.9Very low125 Ų125143.3 Ų143.381%0.81279%0.794SS**  cis-123.5-176.6-1421.52.4000114.7
319F32.6Very low38.1Very low202 Ų202143.9 Ų143.989%0.88679%0.79SS**  trans-88.1155.9-168.8-75.8-100.7000116.9
320S29.8Very low38.4Very low116 Ų116150.6 Ų150.681%0.81180%0.802SS**  trans-168.2151.9135.7-80.10000111.1
321S31.8Very low37.7Very low98 Ų98150 Ų15069%0.68581%0.809SS**  cis-169.7102.3-21.752.40000112.4
322L38Very low37.3Very low171 Ų171151.9 Ų151.990%0.89581%0.813SS**  trans63.9169.6165.3-55.7174.3000117.7
323P37Very low37.2Very low122 Ų122147.3 Ų147.379%0.79281%0.811SS**  cis-117.6177.4-18.138.4-25.1000113.5
324S40.1Very low37Very low112 Ų112148.8 Ų148.878%0.78381%0.806SS**  trans-117144.6175.253.80000112.8
325L37.6Very low37.6Very low172 Ų172150.3 Ų150.390%0.90181%0.805SS**  trans-140.4160.4171.2-82.8177.5000110.6
326P44.2Very low37.5Very low111 Ų111150.7 Ų150.772%0.72180%0.802SS**  trans-107.6163.6-132.839.2-38.5000117.1
327D39.3Very low37.5Very low144 Ų144155 Ų15577%0.7781%0.814SS**  trans-70.4137.7164.1-179.716.3000111.4
328S32.5Very low38Very low110 Ų110151.1 Ų151.177%0.76981%0.814SS**  trans-160.8147.7170.8-86.40000113.4
329R35.6Very low37.9Very low222 Ų222150.8 Ų150.884%0.83881%0.812SS**  trans-101148.9-167-77.1168-88.4-174.8-7.7112.8
330F35.9Very low38.2Very low202 Ų202147.9 Ų147.989%0.88681%0.811SS**  trans44.5115.4154-87-95.2000119.4
331S32Very low38.5Very low129 Ų129145.9 Ų145.990%0.90281%0.809SS**  trans-161.3157.3130.8-89.40000112.7
332N39.7Very low38.7Very low149 Ų149146.6 Ų146.680%0.79782%0.82SS**  trans-112.9124.2-171.5-1795.9000110.4R334N332-R334 PolarHBondContact O-N 3.22Å
333P45.6Very low38.4Very low119 Ų119142.2 Ų142.277%0.77381%0.809SS**  trans-89.810317833.1-30.5000112.1
334R36.3Very low38.3Very low220 Ų220145.7 Ų145.783%0.8381%0.812SS**  trans-76.7142.9167.1-174.8174.1178.9163.6-1.8110.1N332N332-R334 PolarHBondContact O-N 3.22Å
335V46.2Very low37.7Very low130 Ų130145.3 Ų145.379%0.78881%0.805SS**  trans-45.6134-176.4-770000115.9
336H34.9Very low37.4Very low181 Ų181148.1 Ų148.184%0.83881%0.805SS**  trans-144.1124.6163.4-87.3-91000111.1
337Y34.2Very low36.9Very low223 Ų223148 Ų14888%0.87580%0.802SS**  trans-91.8173.9151.8-80.2-89.1000107.9
338P45.8Very low36.8Very low115 Ų115147 Ų14775%0.74780%0.804SS**  cis-129.1-147.310.945.5-26.5000110.5
339P47.5Very low36.9Very low118 Ų118148.5 Ų148.577%0.76681%0.809SS**  cis-129.5-171.3-13.340.5-21.9000115.3
340T39.1Very low36.9Very low142 Ų142146.1 Ų146.187%0.87181%0.807SS**  trans-63.4145178.250.70000115.6
341G35.8Very low36.9Very low74 Ų74144 Ų14476%0.76380%0.804SS**  trans173.5138158.900000116
342A35.3Very low37.6Very low112 Ų112142.1 Ų142.193%0.92679%0.79SS**  trans63.6152167.800000119.1
343A32.9Very low37.3Very low79 Ų79142.1 Ų142.165%0.65380%0.795SS**  trans-116.6165170.800000109.4
344F33Very low36.7Very low196 Ų196140.8 Ų140.886%0.8679%0.788SS**  -178.9146.1116.5-93.9-61.6000112.6
345T28.2Very low36.6Very low103 Ų103138.4 Ų138.463%0.63279%0.792SS**  trans31.4123.5146.5-45.20000120.8T347T345-T347 HydrophobicContact CG2-CG2 4.24Å
346Y31Very low36Very low232 Ų232136.1 Ų136.191%0.9179%0.794SS**  trans-124.8138.1138.4-96.1-86.3000110.5
347T33.4Very low36.1Very low107 Ų107132.1 Ų132.166%0.65679%0.792SS**  trans-93.5139.3177.239.60000110.9T345T345-T347 HydrophobicContact CG2-CG2 4.24Å
348P37.1Very low36.5Very low125 Ų125129.6 Ų129.681%0.81279%0.792SS**  trans-82.9114.1168.331.6-30.3000110.1
349T34.6Very low35.8Very low141 Ų141129 Ų12987%0.86579%0.791SS**  trans-78.4132.9165.934.50000110.2
350H37.1Very low35.5Very low171 Ų171131.5 Ų131.579%0.79280%0.796SS**  trans-139.4130.2-176.8-161.6-79.6000109.5
351N34.8Very low35.4Very low157 Ų157130.9 Ų130.984%0.8479%0.793SS**  trans-160.7158.3169.4-116.21.2000110
352P46.6Very low35.4Very low91 Ų91135.8 Ų135.859%0.59180%0.798SS**  -135.1169.5-124.438.9-21000115.8
353V33.9Very low35.6Very low149 Ų149135.3 Ų135.390%0.90379%0.794SS**  trans-133.6134152.9177.70000108
354S32.7Very low35.8Very low91 Ų91137.4 Ų137.464%0.63680%0.799SS**  trans-94.6142.2-174.2-540000112.6
355N33.8Very low35.9Very low170 Ų170133 Ų13391%0.90980%0.798SS**  172.9142.8116-86.2-14.7000111.6
356G34.9Very low36.2Very low81 Ų81136.4 Ų136.484%0.83581%0.809SS**  trans129.895.8179.300000111.5
357A36.4Very low36.4Very low97 Ų97129.7 Ų129.780%0.80280%0.801SS**  trans-87.2146.3178.400000111.6
358I43.2Very low36.5Very low170 Ų170130.9 Ų130.987%0.87281%0.809SS**  -163.3133.8128.4-95.9148000107.4
359S31.2Very low36.2Very low104 Ų104130.6 Ų130.673%0.72781%0.805SS**  trans-101150.5175.750.90000111
360I40Very low36.1Very low170 Ų170132 Ų13287%0.87280%0.802SS**  trans-159.4154.5147.4-102.3147.4000108.3
361T36.7Very low35.9Very low129 Ų129130.5 Ų130.579%0.79180%0.804SS**  trans-104.6164.1-150.3-50.10000114.2
362M37.3Very low35.8Very low177 Ų177126.2 Ų126.287%0.87280%0.798SS**  trans-53.3156.6174.6-44.7173.1-170.500114.6
363A38.7Very low35.5Very low102 Ų102132.6 Ų132.684%0.84381%0.81SS**  trans-154.6134.113100000111.1
364T36.5Very low35.3Very low123 Ų123136.6 Ų136.676%0.75581%0.811SS**  trans-108.9138.3171.8-64.10000109.3M366T364-M366 HydrophobicContact CG2-CG 4.2Å
365A36.8Very low35.5Very low102 Ų102139.9 Ų139.984%0.84382%0.815SS**  trans-138.9138.5164.900000110.2
366M34.1Very low35.5Very low176 Ų176137.3 Ų137.387%0.86781%0.806SS**  trans-133.5132.7-174.7-67-91.5-160.100109.6T364T364-M366 HydrophobicContact CG2-CG 4.2Å
367A34.8Very low35.7Very low90 Ų90144.6 Ų144.674%0.74481%0.81SS**  trans-171.7123.1153.500000112.7
368T34.3Very low36.3Very low132 Ų132147.8 Ų147.881%0.8181%0.813SS**  trans34.3136.1133.564.40000120.9
369T32.4Very low36.5Very low120 Ų120145.1 Ų145.174%0.73681%0.806SS**  cis-151.8148.422.144.20000114.8
370Q32.5Very low37.3Very low170 Ų170145.8 Ų145.879%0.79481%0.809SS**  trans51.2138.8138.3-65.6-169.7-200125
371T32.3Very low37.9Very low139 Ų139143.6 Ų143.685%0.85381%0.805SS**  trans74.3143.4152.955.10000122.3
372G32.7Very low37.9Very low68 Ų68148.4 Ų148.470%0.70181%0.811SS**  trans97.298.6151.500000117.5
373R40Very low38.7Very low225 Ų225146 Ų14685%0.84981%0.809SS**  trans-76.4139.9166.5-66.3-178.4-179.5-1243.9110.9
374Y31Very low38.6Very low233 Ų233145.6 Ų145.691%0.91481%0.805SS**  trans-138.8158.6156.3-79.5-73.2000111.6
375H36.3Very low38.5Very low159 Ų159146.6 Ų146.674%0.73681%0.806SS**  trans-128.8146.6-172.7-99.7-86.9000111.2
376T34.2Very low38.6Very low117 Ų117147.5 Ų147.572%0.71880%0.801SS**  trans64.5126147-53.20000119.4
377Y38.3Very low39.4Very low234 Ų234144 Ų14492%0.91879%0.791SS**  trans-76.2148.5171.3-69.1-99.9000112.8
378L48.5Very low39.4Very low163 Ų163148.1 Ų148.185%0.85380%0.795SS**  trans-142.7138.1165.9-95.5155.3000109.4
379P47.9Very low39.3Very low114 Ų114150.6 Ų150.674%0.7480%0.797SS**PPolyproline II helixtrans-83.2161178.833.7-34.9000113.3
380P48.7Very low39.2Very low119 Ų119149.9 Ų149.977%0.77380%0.803SS**PPolyproline II helixtrans-81.1160-17633.2-36.7000114.5
381P52.6Low39.2Very low124 Ų124150 Ų15081%0.80580%0.804SS**PPolyproline II helixtrans-91.2166.2-177.737-36.7000114.9
382Y36.4Very low39.1Very low229 Ų229150.6 Ų150.690%0.89880%0.802SS**PPolyproline II helixtrans-86.9151.5170.6-71.3-92.6000112.6
383P54Low39Very low128 Ų128150.7 Ų150.783%0.83180%0.803SS**PPolyproline II helixtrans-86.3170.6174.236.3-36.1000113.4
384A36.2Very low39.5Very low92 Ų92145.6 Ų145.676%0.7680%0.799SS**  trans-139.7145.1-173.900000115.8
385N35Very low39.6Very low145 Ų145144.7 Ų144.778%0.77580%0.8SS**  trans54.7117.2146.2-71.49.5000123.6
386T38.2Very low39.5Very low121 Ų121145.3 Ų145.374%0.74280%0.803SS**  34148.8120.463.30000121.2
387P51.1Low39.2Very low101 Ų101144 Ų14466%0.65680%0.799SS**  cis-152.9-176.141.439.5-16.5000118.2
388H34.1Very low38.8Very low178 Ų178139 Ų13982%0.82479%0.792SS**  trans153.6-174.9138-82-64.4000114.1
389Q32.7Very low38Very low184 Ų184136.4 Ų136.486%0.8679%0.788SS**  trans-149.9122.1-140.4170.2-168.19.300112.6
390A31.3Very low37.5Very low105 Ų105136.5 Ų136.587%0.86879%0.792SS**  trans-162.1160.8166.300000115.1
391Q31.1Very low37.9Very low173 Ų173135.3 Ų135.381%0.80878%0.784SS**  trans-76.5179-166.2-59.3169.9-47.600118
392N31.1Very low36.9Very low151 Ų151138.8 Ų138.881%0.80778%0.782SS**  trans89.6130.4154.3-60.1-29.1000119.7
393G30.8Very low36.7Very low70 Ų70135.3 Ų135.372%0.72277%0.774SS**  trans-114.9-144.3156.400000109.1
394P51.1Low35.9Very low117 Ų117136.6 Ų136.676%0.7677%0.773SS**  cis-126.4174.9-5.241.8-28.5000113.4
395F32.5Very low35.7Very low214 Ų214143 Ų14394%0.93978%0.779SS**  trans-147.4147.3153-103.4-78.2000111.3
396Q33.9Very low35.7Very low173 Ų173146.2 Ų146.281%0.80878%0.782SS**  trans-111.4178.6168.2-50.7-171.91.600108.5
397S28.8Very low35.3Very low89 Ų89145.1 Ų145.162%0.62278%0.779SS**  cis-161-175.512.2-151.60000112.2
398T29.6Very low34.5Very low128 Ų128144.2 Ų144.279%0.78578%0.78SS**  trans75.8146.7168.383.60000118.6
399S31.7Very low34.4Very low109 Ų109142.5 Ų142.576%0.76278%0.782SS**  cis-165.3140.9-27.948.40000111.1
400S35.8Very low34.5Very low117 Ų117140 Ų14082%0.81878%0.78SS**  trans-105.5-162.3174.8-40.40000110.3
401P58Low34.5Very low94 Ų94138.9 Ų138.961%0.6178%0.778SS**  cis-136.6-145.9-13.941.5-20.9000113.2
402Y31.7Very low34.7Very low197 Ų197135.6 Ų135.677%0.77378%0.775SS**  trans94.6144167.5-60.4-65.9000117.8
403H31.5Very low34.7Very low156 Ų156139.7 Ų139.772%0.72278%0.781SS**  cis-141.1148.43.4-138.7-71.1000112.5
404L38.1Very low34.7Very low154 Ų154144.6 Ų144.681%0.80679%0.785SS**  trans-99.7164.5166.9-82169.5000111.1
405Y32.5Very low33.7Very low226 Ų226148.1 Ų148.189%0.88679%0.789SS**  trans-126134162.9-107.6-90.3000111.7
406Y35Very low33.6Very low213 Ų213143.1 Ų143.184%0.83578%0.78SS**  trans-83.8178.2170.5-88.5-90000110.4
407S29.7Very low33.7Very low99 Ų99143.3 Ų143.369%0.69278%0.783SS**  cis-152.5147.93.8-114.10000106.8
408A33.9Very low33.9Very low81 Ų81148.3 Ų148.367%0.66980%0.799SS**  75.812057.300000115.9
409T32.6Very low34Very low142 Ų142147.3 Ų147.387%0.87180%0.803SS**  trans171.9160.4150.435.20000108.6
410T32.9Very low33.9Very low131 Ų131146.1 Ų146.180%0.80481%0.808SS**  cis-161.2141.7-39.8-74.40000106.5
411G31.2Very low33.6Very low82 Ų82144.2 Ų144.285%0.84581%0.808SS**  trans172.695.8173.600000114.4
412S35.5Very low32.4Very low105 Ų105143.9 Ų143.973%0.73482%0.821SS**  trans-125.4135.4-171.155.60000113.3
413Y31.4Very low32.5Very low237 Ų237138 Ų13893%0.92982%0.82SS**  trans-142.3117159.7-92.7-81.8000110.7
414Q31.1Very low32.7Very low173 Ų173136.4 Ų136.481%0.80883%0.827SS**  trans-93168.1144.7-61.4179.2-88.200106
415F30.9Very low32.8Very low191 Ų191133.4 Ų133.484%0.83882%0.818SS**  cis-154.5175.226.532.5-105.2000107.3
416S29.6Very low33Very low109 Ų109129.9 Ų129.976%0.76282%0.815SS**  cis-147.3166.929.8-66.80000112.8
417M35.5Very low33.1Very low176 Ų176125 Ų12587%0.86781%0.812SS**  trans-85.5156.8165-64-169.3-82.700111.6
418M33Very low33.4Very low195 Ų195129.5 Ų129.596%0.96182%0.822SS**  trans-156161.7132.2-128.758176.900108.8
419A31.8Very low33.5Very low106 Ų106130.9 Ų130.988%0.87683%0.826SS**  trans-114.9160.3-149.800000116.6
420G30.3Very low34Very low84 Ų84129.8 Ų129.887%0.86682%0.822SS**  trans126.8124.4166.400000113.6
421G30.3Very low34.5Very low78 Ų78129.9 Ų129.980%0.80482%0.824SS**  cis171.7136-7.700000112.5
422G31.8Very low34.7Very low87 Ų87136.7 Ų136.790%0.89782%0.824SS**  trans77.2152-176.900000113.9
423G33.2Very low34.7Very low72 Ų72138.9 Ų138.974%0.74283%0.827SS**  cis177.6167.4-4.100000111.3
424S36.2Very low35Very low124 Ų124135.2 Ų135.287%0.86782%0.822SS**  trans69.3118.5-174.5-148.50000116
425S39.4Very low35.3Very low90 Ų90132.4 Ų132.463%0.62982%0.819SS**  trans-67.2162.7147.151.90000109.1
426D37.4Very low35.9Very low153 Ų153129.4 Ų129.482%0.81882%0.818SS**  -166.2148.178.8-83.4-16.7000111.4
427S37.5Very low36Very low109 Ų109130.3 Ų130.376%0.76282%0.824SS**  trans-122.6107.9179.158.90000111.3
428H36.7Very low35.9Very low195 Ų195127.9 Ų127.990%0.90382%0.818SS**  trans-143.3154.7167.5-95.4-50.4000114
429S34.7Very low35.9Very low110 Ų110124.5 Ų124.577%0.76981%0.809SS**PPolyproline II helixtrans-93169.7-162.1-47.40000112.8
430P44Very low36.1Very low119 Ų119123.5 Ų123.577%0.77380%0.801SS**PPolyproline II helixtrans-87.1156.3-162.434.6-36.2000114.9
431P43.1Very low36.3Very low132 Ų132124.9 Ų124.986%0.85780%0.797SS**PPolyproline II helixtrans-76.3160.3169.633.1-34.9000112.7
432R35Very low36.6Very low225 Ų225128 Ų12885%0.84980%0.801SS**  trans-119.6136.4-171.4-179.5-169.2-72.5-169.4-2.5111.6
433I35.8Very low36.6Very low152 Ų152126.7 Ų126.778%0.77979%0.787SS**  trans21.1124.8153-50.1168000118
434L37.4Very low36.7Very low160 Ų160129.1 Ų129.184%0.83879%0.793SS**  trans-108.9148157-68.6175.4000110.8
435P38.5Very low36.6Very low113 Ų113127.7 Ų127.773%0.73478%0.783SS**PPolyproline II helixtrans-91.1145.5-179.935.2-33.9000113.3
436P42Very low36.5Very low128 Ų128130.7 Ų130.783%0.83179%0.791SS**PPolyproline II helixtrans-84.6157.5162.934.8-32.7000111.9
437C33Very low36.3Very low129 Ų129131.6 Ų131.687%0.87280%0.795SS**PPolyproline II helixtrans-98.8164.8-175.641.40000114.4
438T32.9Very low35.9Very low124 Ų124134.5 Ų134.576%0.76180%0.796SS**PPolyproline II helixtrans-80.8171.5172.9590000110.8
439T33.9Very low36.7Very low125 Ų125130.2 Ų130.277%0.76779%0.786SS**  cis-167.8162.526.6-25.50000111.8
440A35.4Very low36.4Very low85 Ų85129.8 Ų129.870%0.70278%0.783SS**  trans64.6127.3155.200000119.5
441S33.8Very low36Very low112 Ų112131.4 Ų131.478%0.78378%0.784SS**  80.3140.555.2-61.30000113.2
442T37.6Very low36.1Very low144 Ų144131.4 Ų131.488%0.88378%0.784SS**  cis-159.7-177.311.1-3.70000108.5
443G31.3Very low36Very low59 Ų59127.2 Ų127.261%0.60878%0.779SS**  cis156.4161.1-0.300000112.8
444S34.6Very low35.7Very low123 Ų123129.2 Ų129.286%0.8678%0.784SS**  trans71.4152.8162.6-59.30000119.7
445S35.2Very low35.5Very low95 Ų95128.3 Ų128.366%0.66478%0.781SS**  cis-166.3156.1-3.5-114.20000115.3
446L36.3Very low35.2Very low153 Ų153132.2 Ų132.280%0.80179%0.789SS**  trans58.4123.7145.4-60.5166000123.5
447L34.3Very low34.7Very low171 Ų171129.3 Ų129.390%0.89578%0.783SS**  164.2160.8109.9-83.4-176.3000114.5
448H28.9Very low34.7Very low170 Ų170129.9 Ų129.979%0.78778%0.782SS**  trans-130.6-178.4179.4-149.3-133.2000107.6
449P53.6Low34.6Very low105 Ų105127.2 Ų127.268%0.68278%0.779SS**  cis-129.1-161.914.631.2-3.2000113
450S28.3Very low34.6Very low101 Ų101128 Ų12871%0.70678%0.783SS**  cis-159.7166.228-56.40000114.1
451L35.6Very low34.5Very low153 Ų153132.3 Ų132.380%0.80179%0.789SS**  trans-99.3176.5164.1-65.8169.7000110.8
452P45.8Very low34.5Very low133 Ų133133 Ų13386%0.86479%0.788SS**  -135.7-177.589.438.4-25.8000114.9
453N31.1Very low34.2Very low137 Ų137134.6 Ų134.673%0.73379%0.785SS**  trans-140148.4-165.8174.935.9000110
454Q31.4Very low34.1Very low193 Ų193136 Ų13690%0.90279%0.785SS**  trans-145154.1166.1-78.1-158.5-14.300112.2
455N32.4Very low34Very low142 Ų142135.7 Ų135.776%0.75978%0.784SS**  trans-157.3128.2-163.6157.9103.9000110.2
456E32.5Very low33.9Very low195 Ų195139.1 Ų139.191%0.91179%0.789SS**  trans-169.1152.1163.8-106.7159159.200109.5
457G30.2Very low33.7Very low67 Ų67136.7 Ų136.769%0.69179%0.785SS**  cis159.141.8-6.200000118
458V33Very low33.6Very low141 Ų141134.1 Ų134.186%0.85578%0.781SS**  trans-145.6143.1177.5-172.30000110.6
459G30.6Very low33.7Very low68 Ų68131.3 Ų131.370%0.70178%0.781SS**  cis129.674.2-7.100000115
460V35.6Very low33.2Very low141 Ų141132.7 Ų132.786%0.85579%0.789SS**  trans-145.8143172.9-174.70000110.2
461E32.6Very low33.6Very low175 Ų175133.6 Ų133.682%0.81879%0.791SS**  trans-108.8-170.8178.9-60.2-173.4118.700112.4
462V33.5Very low33.5Very low126 Ų126132.9 Ų132.976%0.76479%0.788SS**  trans75.9137.2166.2-179.60000114.3
463E30.7Very low32.8Very low178 Ų178135 Ų13583%0.83279%0.788SS**  cis-137.4172.17.9-154149.664.900113.3
464S30.8Very low32.9Very low88 Ų88134.4 Ų134.462%0.61579%0.789SS**  trans-94.5141.7170.3178.70000112.1
465S31.6Very low33Very low118 Ų118129.9 Ų129.983%0.82579%0.785SS**  trans-159.6154.6155.5-93.50000113.8
466H32.9Very low33.1Very low167 Ų167128 Ų12877%0.77379%0.789SS**  trans-96.5146.4-157.8-64.9-100.7000115.3
467S33Very low33.1Very low102 Ų102127.7 Ų127.771%0.71379%0.788SS**  trans2.4136.1151.257.40000120.8
468S31.1Very low33.6Very low117 Ų117129.5 Ų129.582%0.81880%0.796SS**  -175147.5106.7-78.10000113.1
469S32.3Very low33.7Very low111 Ų111129.1 Ų129.178%0.77679%0.794SS**  trans-102.3164.1172.8-49.30000111.8
470P43.1Very low34.1Very low133 Ų133137.3 Ų137.386%0.86480%0.804SS**  trans-124.7168.3136.236.9-30.3000113.1
471T36.4Very low34.4Very low121 Ų121141.9 Ų141.974%0.74281%0.806SS**  trans-125.3159.1-169.4-50.90000111.5
472N33.4Very low35.4Very low138 Ų138138.4 Ų138.474%0.73880%0.798SS**  trans70.7147.5178.9-70.2-25.3000114.4
473M31.6Very low35.9Very low176 Ų176147.3 Ų147.387%0.86782%0.82SS**  cis-130.3172.735.4-77.4-77.1-78.300115.2
474V33.3Very low36.2Very low125 Ų125145.8 Ų145.876%0.75882%0.82SS**  trans-112146.1-177.9165.70000111.7
475A31.6Very low36.5Very low98 Ų98148.8 Ų148.881%0.8183%0.831SS**  trans66.2121.6163.400000120.1
476A34.5Very low36.7Very low103 Ų103150.5 Ų150.585%0.85183%0.831SS**  trans-150.4143.6135.500000108.6
477E34.4Very low36.9Very low189 Ų189149.5 Ų149.588%0.88383%0.834SS**  trans-83.8139.6177.7-60.9176.6123.400111
478A39Very low37.2Very low104 Ų104152.5 Ų152.586%0.8684%0.842SS**  trans-111.599.9174.500000110.4
479V36.7Very low37.6Very low134 Ų134154.9 Ų154.981%0.81284%0.843SS**  trans-78.2139.3-177.1174.90000111.5
480W38.4Very low38Very low239 Ų239158 Ų15891%0.90585%0.848SS**  trans-55.6132.7170.8-83.572.1000113
481R40.9Very low37.6Very low238 Ų238159.9 Ų159.990%0.89885%0.847SS**  trans-148.6151.3136-76.9-148.3175.3-131.2-6.5111.4
482P54Low37.7Very low102 Ų102163.2 Ų163.266%0.66286%0.856SS**  trans-95.3164.3-178.238.5-35.8000113.2
483Y44.3Very low38.1Very low312 Ų312165.5 Ų165.5100%1.22487%0.866SS**  trans-139.80144-90.1-75.4000108.3

Retrieved 483 of 483 residues in 188.9 ms (Link to these results)