A0A087XMN8_POEFO Loading...

Ribonucleoprotein PTB-binding 1

Cooperates with PTBP1 to modulate regulated alternative splicing events. Promotes exon skipping. Cooperates with PTBP1 to modulate switching between mutually exclusive exons during maturation of the TPM1 pre-mRNA.

AlphaFold DB , UniProt , Accession A0A087XMN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 743 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
1M33.2Very low32Very low242 Ų242137.3 Ų137.3100%1.19289%0.885SS**  098.30-60.4168.8-176.500105.7
2A40.6Very low31.7Very low106 Ų106132.3 Ų132.388%0.87688%0.878SS**  cis93.783.525.900000114.8
3A29.6Very low31.7Very low95 Ų95131.5 Ų131.579%0.78587%0.868SS**  trans-160.6138.9155.300000105.6
4A37.6Very low31.6Very low97 Ų97132.4 Ų132.480%0.80286%0.861SS**  cis77.5102.920.400000115.6
5V30.8Very low31.6Very low144 Ų144136.4 Ų136.487%0.87386%0.863SS**  trans-148.3139.6153170.90000107.8
6S30Very low31.5Very low113 Ų113132.1 Ų132.179%0.7985%0.853SS**  trans-109.7152.6166.5-63.80000110
7L30.9Very low31.6Very low182 Ų182130.7 Ų130.795%0.95386%0.856SS**  trans-69.3150.2178.9-66.4167.1000112.2
8S28.3Very low31.5Very low120 Ų120131.6 Ų131.684%0.83985%0.852SS**  trans-135.4148.5161.3480000109.4
9T32Very low31.5Very low142 Ų142130.4 Ų130.487%0.87185%0.847SS**  trans-93.8157.8-170.844.30000112.5
10T27.9Very low31.3Very low151 Ų151128 Ų12893%0.92685%0.847SS**  trans-123151.7164.448.20000110.3
11S31.6Very low31.3Very low118 Ų118126.2 Ų126.283%0.82584%0.842SS**  trans-126.5142.7-176.3530000110.7
12G27.7Very low31.1Very low78 Ų78120.5 Ų120.580%0.80482%0.821SS**  trans-120.6157.1165.500000110.6
13T31.9Very low30.6Very low122 Ų122124.4 Ų124.475%0.74882%0.819SS**  trans-115.7-172.2-165.353.70000113.7
14D29.8Very low30.5Very low143 Ų143125.6 Ų125.677%0.76582%0.816SS**  trans93.8134.9164.7-53.50.3000113.8
15E32.8Very low30Very low193 Ų193126.4 Ų126.490%0.90282%0.816SS**  cis-141.3165-13.2-98.1176.9121.300105.1
16G30.2Very low29.8Very low68 Ų68130.8 Ų130.870%0.70182%0.816SS**  cis145.2139.922.500000107.3
17A32.8Very low30.3Very low108 Ų108130.8 Ų130.889%0.89381%0.814SS**  trans55.8145.9169.200000120.6
18D28.8Very low30Very low147 Ų147131.8 Ų131.879%0.78681%0.811SS**  cis-163.1151.7-19.8-175.520.9000109.7
19S32.1Very low30.1Very low108 Ų108132.1 Ų132.176%0.75581%0.813SS**  trans54.9140159.978.30000121.7
20G28.2Very low29.9Very low82 Ų82129.9 Ų129.985%0.84581%0.809SS**  trans131.5126161.800000114.7
21A31.2Very low30Very low92 Ų92130.2 Ų130.276%0.7681%0.805SS**  trans-137.9171.8-175.500000112.8
22T28.7Very low29.9Very low121 Ų121133.5 Ų133.574%0.74281%0.807SS**  trans103.8100.2152.7-30.20000118.2
23F29.2Very low29.9Very low189 Ų189135.9 Ų135.983%0.82980%0.801SS**  trans75.7118.4136.5-82.4-133.3000123.6
24V27.5Very low29.9Very low119 Ų119138.4 Ų138.472%0.72181%0.81SS**  90.2132.1120.1168.80000122.2
25S28.3Very low29.8Very low114 Ų114135.5 Ų135.580%0.79781%0.806SS**  trans96.8138.2149.9-88.20000123.7
26R26.4Very low29.6Very low236 Ų236132.8 Ų132.889%0.89180%0.802SS**  trans-54.7179.2161-67.3172.5169.2179.9-4.5113.9
27P39.3Very low29.5Very low114 Ų114135.7 Ų135.774%0.7480%0.802SS**  cis-126.4-165.5-16.129-7.5000111.8
28F26.4Very low29.4Very low203 Ų203137.8 Ų137.889%0.8979%0.791SS**  trans-133134.7159.5-105.4-87.2000112.3
29S28.9Very low29.3Very low127 Ų127138.4 Ų138.489%0.88879%0.789SS**  trans-168.9114.6163.8-76.20000108.8
30A27.6Very low29.2Very low95 Ų95141.3 Ų141.379%0.78580%0.796SS**  trans-160.3137.7169.600000109.2
31N31.3Very low29.1Very low158 Ų158145.8 Ų145.885%0.84579%0.792SS**  trans-92.1162.5167.2-67.5-29.5000109.3
32H28.6Very low29Very low187 Ų187149.4 Ų149.487%0.86680%0.795SS**  trans-146.2142.4149.7-110.4-34.7000114
33D28.7Very low28.9Very low127 Ų127148 Ų14868%0.67980%0.797SS**  trans-70.8156.5-176.9-37.8-98000113.4
34L30.9Very low28.8Very low176 Ų176143 Ų14392%0.92180%0.798SS**  -178.1170.2101.2-102.8166.1000113.6
35A28.2Very low28.8Very low82 Ų82143.8 Ų143.868%0.67880%0.798SS**  trans-104.1-179.8-158.700000116.2
36T28.1Very low28.8Very low136 Ų136149.8 Ų149.883%0.83480%0.803SS**  trans125.2145.2167.856.30000112.3
37D28.6Very low28.8Very low128 Ų128144.7 Ų144.768%0.68479%0.79SS**  cis-152.3167.13.8-148.33.3000113.6
38K30.4Very low28.1Very low153 Ų153149.5 Ų149.567%0.66579%0.793SS**  trans65121.2149.9-79175.4177.5-178.60126.8
39E27.8Very low28Very low159 Ų159150.2 Ų150.274%0.74379%0.791SS**  53113.1122.3-60.9177.6112.800122.6
40N28.3Very low29Very low169 Ų169149.3 Ų149.390%0.90478%0.783SS**  -159.3174110.4-127.9-49.3000113.8
41F26.3Very low28.9Very low176 Ų176152.6 Ų152.677%0.77278%0.782SS**  trans-121.5156-160.2-138.9-119.8000114.9
42M28.8Very low28.8Very low168 Ų168152.3 Ų152.383%0.82878%0.779SS**  trans66.9161.4166.9-60.6-130.5-153.500119.2
43A28.4Very low28.7Very low93 Ų93147.4 Ų147.477%0.76977%0.771SS**  cis-174150.8-34.300000108.4
44G26.6Very low28.7Very low83 Ų83146.5 Ų146.586%0.85678%0.775SS**  trans16978.3176.200000115.6
45D27.3Very low28.7Very low136 Ų136144.1 Ų144.173%0.72777%0.767SS**  trans-83.7131.3-176.5-175-2.9000112.9
46R27Very low28.7Very low239 Ų239148.6 Ų148.690%0.90277%0.774SS**  trans-162116.1140.7-116.7172.5-176.4-177.10.4116.6
47Q27.7Very low28.9Very low130 Ų130151.3 Ų151.361%0.60778%0.777SS**  trans-18155.6143.5-49.9171.8-1.600116.3
48R25.1Very low28.8Very low215 Ų215152.3 Ų152.381%0.81178%0.783SS**  cis-163.7155.631.5-155.2172.3-73.6169.3-4113.9
49Y24.1Very low28.7Very low217 Ų217148.3 Ų148.385%0.85178%0.778SS**  trans-75.2-175.7167.4-74.9-90.1000113.2
50P49.3Very low28.7Very low109 Ų109147.1 Ų147.171%0.70878%0.782SS**  cis-136.7-161.71.328.6-2.2000116.1
51E25.2Very low28.7Very low163 Ų163145.2 Ų145.276%0.76278%0.782SS**  trans100.6133.5156.8-57.9-160.799.700117.7
52L29.4Very low28.7Very low152 Ų152139.9 Ų139.980%0.79678%0.777SS**  cis-148.7169.4-1.2-121.9171.9000111.6
53A27.5Very low29Very low84 Ų84138 Ų13869%0.69478%0.777SS**  trans-68.7161.3-17100000115
54S28.8Very low29.1Very low109 Ų109142.2 Ų142.276%0.76278%0.781SS**  -172.1135.98435.90000115.5
55V29.5Very low29.2Very low125 Ų125144.1 Ų144.176%0.75878%0.779SS**  trans46.9113.2138.9-172.70000118
56E29.2Very low29.4Very low176 Ų176146.6 Ų146.682%0.82279%0.787SS**  cis86.5133.843.4-63.5-171.4142.800116.6
57E32.6Very low29.7Very low194 Ų194145.2 Ų145.291%0.90778%0.782SS**  trans56.3145.6174.7-66.2-168.5157.200119.3
58D26.7Very low30.1Very low149 Ų149148.6 Ų148.680%0.79779%0.789SS**  cis-154.6-143.8-29.7-163.827.2000105.8
59A27.2Very low30.8Very low69 Ų69145.2 Ų145.257%0.5779%0.791SS**  cis-156.8155.42.900000115.1
60T27.8Very low31.4Very low134 Ų134137.1 Ų137.182%0.82276%0.763SS**  trans55.6101.5160.149.90000118.9
61S29Very low31.5Very low128 Ų128137.1 Ų137.190%0.89575%0.753SS**  trans-84111.1163.141.60000112.2
62G25.3Very low32.6Very low65 Ų65135.9 Ų135.967%0.6775%0.752SS**  trans-75.6162.4169.900000113.3
63P34.8Very low34.3Very low127 Ų127131.2 Ų131.283%0.82573%0.728SS**  trans-75.7139.6-164.428.9-35.8000115.3
64E30.3Very low36.6Very low182 Ų182133.8 Ų133.885%0.8573%0.728SS**  trans6.9105.7158.6-60-176.5110.800118.3Q66E64-Q66 PolarHBondContact O-N 3.09Å
65C30.4Very low38.8Very low123 Ų123134.1 Ų134.183%0.83173%0.728SS**  trans-57.6110.2159.1-73.90000110.7R67C65-R67 VanDerWaalsContact C-N 3.34Å; C65-R67 PolarHBondContact O-N 3.4Å
66Q31.1Very low41.5Very low189 Ų189130.2 Ų130.288%0.88370%0.703SS**  trans-62.293167.8-74.3-176.9-25.300110.2E64 R68E64-Q66 PolarHBondContact O-N 3.09Å; Q66-R68 PolarHBondContact O-N 3.37Å
67R31.8Very low44.3Very low210 Ų210124 Ų12479%0.79268%0.678SS**  trans-55.9123.1171.6-62.5-173.3-137.71635.6108.6C65 D72C65-R67 VanDerWaalsContact C-N 3.34Å; C65-R67 PolarHBondContact O-N 3.4Å; R67-D72 IonicContact NH1-OD2 3.49Å
68R37.5Very low47Very low201 Ų201119.7 Ų119.776%0.75867%0.667SS**  trans-72.1134.4176-72.6-174.6174.2-175.9-0.8109.8Q66 D70 Q264Q66-R68 PolarHBondContact O-N 3.37Å; R68-D70 PolarHBondContact O-N 3.34Å; R68-Q264 VanDerWaalsContact NH1-OE1 3.11Å
69V38.4Very low50Low143 Ų143119.9 Ų119.987%0.86766%0.664SS**SBendtrans-77.192.2-177.7-173.50000110.6
70D38Very low53Low48 Ų48120.1 Ų120.126%0.25766%0.655SS.*SBendtrans-136.440.9164.6-135.9-37.7000109.3R68 R178 R238 R330R68-D70 PolarHBondContact O-N 3.34Å; D70-R178 PolarHBondContact O-NH2 2.87Å; D70-R238 IonicContact OD1-CZ 2.78Å; D70-R238 IonicContact OD1-NE 2.67Å; D70-R238 IonicContact OD1-NH2 3.64Å; D70-R238 PolarHBondContact OD1-NH2 3.04Å; D70-R238 IonicContact OD2-NH2 2.79Å; D70-R330 IonicContact OD2-NH1 2.63Å; D70-R330 PolarHBondContact OD2-NH1 3.39Å
71E51Low56Low108 Ų108115.2 Ų115.251%0.50562%0.624SS.*  trans52.1119.1174.2-65.8-171.4156.400120.1L73 A179E71-L73 HydrophobicContact CB-CD2 4.12Å; E71-L73 PolarHBondContact O-N 3.48Å; E71-A179 WeakPolarHBondContact OE2-CB 3.49Å
72D47.8Very low58.9Low138 Ų138115.9 Ų115.974%0.73861%0.613SS**  trans-64.394.1152.5-71.5-47.8000108.2R67 I74R67-D72 IonicContact NH1-OD2 3.49Å; D72-I74 PolarHBondContact O-N 3.44Å; D72-I74 VanDerWaalsContact O-N 3.13Å
73L66.3Low62.1Low54 Ų54115.7 Ų115.728%0.28360%0.601SS.*  trans-64.9112.8-174.1-65.4174.1000111.2E71 P75 R178 H208E71-L73 HydrophobicContact CB-CD2 4.12Å; E71-L73 PolarHBondContact O-N 3.48Å; L73-P75 WeakPolarHBondContact O-CD 3.39Å; L73-R178 HydrophobicContact CD2-CB 4.32Å; L73-H208 HydrophobicContact CD1-CB 4.18Å
74I74.6Confident64.9Low137 Ų137113 Ų11370%0.70357%0.574SS**PPolyproline II helixtrans-58.9122.3-180-57174.6000109.7D72 L76 H208D72-I74 PolarHBondContact O-N 3.44Å; D72-I74 VanDerWaalsContact O-N 3.13Å; I74-L76 PolarHBondContact O-N 3.34Å; I74-H208 PolarHBondContact O-CE1 3.48Å
75P75.6Confident67.8Low117 Ų117105.9 Ų105.976%0.7654%0.542SS*.PPolyproline II helixtrans-54.4126.3176.1-26.835.5000111.5L73L73-P75 WeakPolarHBondContact O-CD 3.39Å
76L85.8Confident70.8Confident42 Ų42103.2 Ų103.222%0.2252%0.517CS..PPolyproline II helixtrans-84.4152.8-178-59.4177.9000111.2I74 D80 I81 R84 T206 G207I74-L76 PolarHBondContact O-N 3.34Å; L76-D80 HydrophobicContact CB-CB 4.18Å; L76-I81 HydrophobicContact CB-CD1 4.33Å; L76-I81 HydrophobicContact CB-CG1 3.85Å; L76-I81 HydrophobicContact CD1-CG1 4.43Å; L76-R84 VanDerWaalsContact CD1-CZ 3.42Å; L76-R84 VanDerWaalsContact CD1-NH1 3.27Å; L76-T206 WeakPolarHBondContact CD1-O 3.47Å; L76-G207 WeakPolarHBondContact CD1-O 3.48Å
77S88.4Confident73.7Confident45 Ų45100.4 Ų100.432%0.31550%0.499SS..PPolyproline II helixtrans-64.7152168.976.30000110.5E79 D80 I81S77-E79 PolarHBondContact O-N 3.3Å; S77-D80 WeakPolarHBondContact O-CB 3.48Å; S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 VanDerWaalsContact O-N 3.16Å; S77-D80 WeakPolarHBondContact OG-CB 3.32Å; S77-D80 VanDerWaalsContact OG-CG 3.27Å; S77-D80 PolarHBondContact OG-N 3.12Å; S77-D80 PolarHBondContact OG-OD2 3.26Å; S77-I81 WeakPolarHBondContact O-CG1 3.46Å; S77-I81 PolarHBondContact O-N 3.11Å
78P89.3Confident76.6Confident104 Ų10490.8 Ų90.868%0.67546%0.463SS*.Hα-helixtrans-58.8-34.5175.323.7-33.2000112I81 E82P78-I81 WeakPolarHBondContact O-CB 3.39Å; P78-I81 PolarHBondContact O-N 3.16Å; P78-E82 PolarHBondContact O-N 3.42Å
79E90.1Very high79.2Confident154 Ų15487.5 Ų87.572%0.7245%0.451SS*.Hα-helixtrans-64.8-41.3176-61.5174.7-157.400112.2S77 I81 S83S77-E79 PolarHBondContact O-N 3.3Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-S83 WeakPolarHBondContact O-CB 3.47Å; E79-S83 PolarHBondContact O-N 3.29Å
80D89.2Confident81.7Confident74 Ų7488 Ų8840%0.39644%0.437SS..Hα-helixtrans-63.2-39.9172.5-81.1-68.6000112.1L76 S77 R84L76-D80 HydrophobicContact CB-CB 4.18Å; S77-D80 WeakPolarHBondContact O-CB 3.48Å; S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 VanDerWaalsContact O-N 3.16Å; S77-D80 WeakPolarHBondContact OG-CB 3.32Å; S77-D80 VanDerWaalsContact OG-CG 3.27Å; S77-D80 PolarHBondContact OG-N 3.12Å; S77-D80 PolarHBondContact OG-OD2 3.26Å; D80-R84 WeakPolarHBondContact O-CB 3.26Å; D80-R84 VanDerWaalsContact O-CD 3.28Å; D80-R84 WeakPolarHBondContact O-CD 3.43Å; D80-R84 WeakPolarHBondContact O-CG 3.26Å; D80-R84 PolarHBondContact O-N 3.45Å; D80-R84 VanDerWaalsContact O-N 3.11Å
81I90.9Very high84.3Confident31 Ų3188.2 Ų88.216%0.15944%0.436CS..Hα-helixtrans-63.7-52.4178.5-63.5169.9000109.1L76 S77 P78 E79 R84 L85L76-I81 HydrophobicContact CB-CD1 4.33Å; L76-I81 HydrophobicContact CB-CG1 3.85Å; L76-I81 HydrophobicContact CD1-CG1 4.43Å; S77-I81 WeakPolarHBondContact O-CG1 3.46Å; S77-I81 PolarHBondContact O-N 3.11Å; P78-I81 WeakPolarHBondContact O-CB 3.39Å; P78-I81 PolarHBondContact O-N 3.16Å; E79-I81 VanDerWaalsContact C-N 3.34Å; I81-R84 PolarHBondContact O-N 3.4Å; I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.46Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 3.08Å
82E91.3Very high86.2Confident141 Ų14183.8 Ų83.866%0.65942%0.416SS*.Hα-helixtrans-61.9-45.5179-175.2166.5-152.200112P78 R84 L85 E86P78-E82 PolarHBondContact O-N 3.42Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.35Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.12Å; E82-E86 WeakPolarHBondContact O-CB 3.4Å; E82-E86 PolarHBondContact O-N 3.07Å
83S92.2Very high88.3Confident61 Ų6181.6 Ų81.643%0.42740%0.398SS..Hα-helixtrans-57.6-37.2177.2-178.20000113.1E79 R87E79-S83 WeakPolarHBondContact O-CB 3.47Å; E79-S83 PolarHBondContact O-N 3.29Å; S83-R87 VanDerWaalsContact O-CB 3.3Å; S83-R87 WeakPolarHBondContact O-CB 3.49Å; S83-R87 PolarHBondContact O-N 2.96Å
84R92.4Very high89.4Confident71 Ų7181.3 Ų81.327%0.26840%0.396SS..Hα-helixtrans-71.9-43.4174.3-70.3164.9-170.9-139.90.4112.2L76 D80 I81 E82 T88 Y202 G207L76-R84 VanDerWaalsContact CD1-CZ 3.42Å; L76-R84 VanDerWaalsContact CD1-NH1 3.27Å; D80-R84 WeakPolarHBondContact O-CB 3.26Å; D80-R84 VanDerWaalsContact O-CD 3.28Å; D80-R84 WeakPolarHBondContact O-CD 3.43Å; D80-R84 WeakPolarHBondContact O-CG 3.26Å; D80-R84 PolarHBondContact O-N 3.45Å; D80-R84 VanDerWaalsContact O-N 3.11Å; I81-R84 PolarHBondContact O-N 3.4Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.35Å; R84-T88 WeakPolarHBondContact O-CB 3.33Å; R84-T88 PolarHBondContact O-N 2.89Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.27Å; R84-Y202 HydrophobicContact CB-CD1 4.49Å; R84-Y202 HydrophobicContact CB-CD2 4.1Å; R84-Y202 HydrophobicContact CB-CE2 4.19Å; R84-Y202 HydrophobicContact CB-CG 4.25Å; R84-G207 WeakPolarHBondContact CD-O 3.2Å; R84-G207 PolarHBondContact NH1-O 3.38Å; R84-G207 VanDerWaalsContact NH1-O 3.17Å
85L92.2Very high90.2Very high32 Ų3277 Ų7717%0.16837%0.371CS..Hα-helixtrans-66.3-45.2179.6-68.3169.1000111.5I81 E82 T88 R89I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.46Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 3.08Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.12Å; L85-T88 CarbonylContact O-C 3.52Å; L85-T88 WeakPolarHBondContact O-CB 3.47Å; L85-T88 PolarHBondContact O-N 3.43Å; L85-T88 VanDerWaalsContact O-N 3.17Å; L85-R89 WeakPolarHBondContact O-CB 3.35Å; L85-R89 PolarHBondContact O-N 3.16Å
86E92.4Very high91.1Very high67 Ų6774.6 Ų74.631%0.31335%0.347SS..Hα-helixtrans-67.6-39.4178.5171.645.3-149.800111.9E82 T88 R89 R90E82-E86 WeakPolarHBondContact O-CB 3.4Å; E82-E86 PolarHBondContact O-N 3.07Å; E86-T88 VanDerWaalsContact C-N 3.26Å; E86-T88 PolarHBondContact O-N 3.44Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 WeakPolarHBondContact OE2-CD 3.3Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.38Å; E86-R90 PolarHBondContact O-N 2.91Å; E86-R90 IonicContact OE1-CZ 2.65Å; E86-R90 IonicContact OE1-NE 2.7Å; E86-R90 PolarHBondContact OE1-NE 3.06Å; E86-R90 IonicContact OE1-NH2 2.77Å; E86-R90 PolarHBondContact OE1-NH2 3.35Å
87R92Very high91.4Very high131 Ų13174.5 Ų74.549%0.49435%0.345SS..Hα-helixtrans-57.1-42.4170.1-172.7-179.8-54.9155.910.8111.9S83 E91S83-R87 VanDerWaalsContact O-CB 3.3Å; S83-R87 WeakPolarHBondContact O-CB 3.49Å; S83-R87 PolarHBondContact O-N 2.96Å; R87-E91 WeakPolarHBondContact O-CB 3.25Å; R87-E91 PolarHBondContact O-N 3.2Å
88T93.3Very high91.7Very high7 Ų772.3 Ų72.34%0.04333%0.33CS..Hα-helixtrans-66.6-42.2177.9-55.70000111.7R84 L85 E86 F92 F199 L200 Y202R84-T88 WeakPolarHBondContact O-CB 3.33Å; R84-T88 PolarHBondContact O-N 2.89Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.27Å; L85-T88 CarbonylContact O-C 3.52Å; L85-T88 WeakPolarHBondContact O-CB 3.47Å; L85-T88 PolarHBondContact O-N 3.43Å; L85-T88 VanDerWaalsContact O-N 3.17Å; E86-T88 VanDerWaalsContact C-N 3.26Å; E86-T88 PolarHBondContact O-N 3.44Å; T88-F92 VanDerWaalsContact O-CB 3.27Å; T88-F92 WeakPolarHBondContact O-CB 3.4Å; T88-F92 PolarHBondContact O-N 2.68Å; T88-F199 HydrophobicContact CG2-CB 4.35Å; T88-F199 HydrophobicContact CG2-CD2 3.75Å; T88-F199 HydrophobicContact CG2-CE2 4.49Å; T88-F199 HydrophobicContact CG2-CG 4.36Å; T88-L200 VanDerWaalsContact CG2-O 3.3Å; T88-L200 WeakPolarHBondContact CG2-O 3.2Å; T88-L200 PolarHBondContact OG1-O 2.99Å; T88-Y202 VanDerWaalsContact OG1-CD2 3.28Å; T88-Y202 WeakPolarHBondContact OG1-CD2 3.5Å; T88-Y202 WeakPolarHBondContact OG1-CE2 3.32Å
89R92.1Very high91.9Very high132 Ų13268.1 Ų68.150%0.49830%0.301SS..Hα-helixtrans-61.9-47.7176.3-170.8179.8-172.6165.82.4111.2L85 E86 F92 Y93 Y252L85-R89 WeakPolarHBondContact O-CB 3.35Å; L85-R89 PolarHBondContact O-N 3.16Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 WeakPolarHBondContact OE2-CD 3.3Å; R89-F92 WeakPolarHBondContact O-CB 3.37Å; R89-F92 PolarHBondContact O-N 2.98Å; R89-Y93 HydrophobicContact CG-CD2 3.78Å; R89-Y93 HydrophobicContact CG-CE2 3.71Å; R89-Y93 WeakPolarHBondContact O-CD2 3.28Å; R89-Y93 PolarHBondContact O-N 3.1Å; R89-Y252 HydrophobicContact CB-CE2 4.03Å; R89-Y252 HydrophobicContact CG-CE2 4.13Å
90R91.9Very high92.1Very high153 Ų15360.8 Ų60.858%0.57727%0.267SS*.Hα-helixtrans-61.5-49.9178-166.1173.7-56.1178.73.4112.1E86 F92 Y93 N94E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.38Å; E86-R90 PolarHBondContact O-N 2.91Å; E86-R90 IonicContact OE1-CZ 2.65Å; E86-R90 IonicContact OE1-NE 2.7Å; E86-R90 PolarHBondContact OE1-NE 3.06Å; E86-R90 IonicContact OE1-NH2 2.77Å; E86-R90 PolarHBondContact OE1-NH2 3.35Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.38Å; R90-Y93 PolarHBondContact O-N 2.97Å; R90-N94 WeakPolarHBondContact O-CB 3.3Å; R90-N94 PolarHBondContact O-N 3.45Å
91E91.8Very high92.3Very high53 Ų5360.7 Ų60.725%0.24826%0.263CS..Hα-helixtrans-60-42.5174.5-84.9-63117.400111.9R87 Y93 N94 R197 C198 F199R87-E91 WeakPolarHBondContact O-CB 3.25Å; R87-E91 PolarHBondContact O-N 3.2Å; E91-Y93 PolarHBondContact O-N 3.15Å; E91-N94 WeakPolarHBondContact O-CB 3.39Å; E91-N94 PolarHBondContact O-N 3.38Å; E91-R197 WeakPolarHBondContact O-CD 3.48Å; E91-R197 WeakPolarHBondContact OE2-CA 3.4Å; E91-C198 PolarHBondContact OE2-N 3.01Å; E91-F199 HydrophobicContact CB-CB 3.89Å; E91-F199 HydrophobicContact CB-CD1 3.82Å; E91-F199 HydrophobicContact CB-CG 4.15Å; E91-F199 HydrophobicContact CG-CB 4.49Å
92F91.6Very high92.4Very high16 Ų1663.3 Ų63.37%0.0728%0.278CS..Hα-helixtrans-58.6-47.9175.5174-100000112.2T88 R89 R90 N94 R197 F199 L250 Y252 L255T88-F92 VanDerWaalsContact O-CB 3.27Å; T88-F92 WeakPolarHBondContact O-CB 3.4Å; T88-F92 PolarHBondContact O-N 2.68Å; R89-F92 WeakPolarHBondContact O-CB 3.37Å; R89-F92 PolarHBondContact O-N 2.98Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.38Å; F92-N94 VanDerWaalsContact C-N 3.32Å; F92-N94 PolarHBondContact O-N 3.03Å; F92-R197 PolarHBondContact O-NH1 2.98Å; F92-F199 HydrophobicContact CB-CE1 4.32Å; F92-F199 HydrophobicContact CB-CE2 4.45Å; F92-F199 HydrophobicContact CB-CZ 4.1Å; F92-F199 HydrophobicContact CD2-CE2 4.44Å; F92-F199 AromaticContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CG-CZ 4.49Å; F92-L250 HydrophobicContact CE2-CB 4.35Å; F92-L250 WeakPolarHBondContact CZ-O 3.17Å; F92-Y252 HydrophobicContact CD1-CD2 4.1Å; F92-Y252 HydrophobicContact CG-CD2 4.48Å; F92-L255 HydrophobicContact CB-CD1 4.47Å; F92-L255 HydrophobicContact CD2-CD1 3.76Å; F92-L255 HydrophobicContact CD2-CD2 3.85Å; F92-L255 HydrophobicContact CD2-CG 4.22Å; F92-L255 HydrophobicContact CE2-CD1 4.15Å; F92-L255 HydrophobicContact CE2-CD2 3.83Å; F92-L255 HydrophobicContact CE2-CG 4.19Å; F92-L255 HydrophobicContact CG-CD1 4.07Å
93Y90.2Very high92.3Very high92 Ų9256.6 Ų56.636%0.36125%0.246SC..Hα-helixtrans-79.7-4.1-178.9-72.9-64.3000114.9R89 R90 E91 R95 G140R89-Y93 HydrophobicContact CG-CD2 3.78Å; R89-Y93 HydrophobicContact CG-CE2 3.71Å; R89-Y93 WeakPolarHBondContact O-CD2 3.28Å; R89-Y93 PolarHBondContact O-N 3.1Å; R90-Y93 PolarHBondContact O-N 2.97Å; E91-Y93 PolarHBondContact O-N 3.15Å; Y93-R95 PolarHBondContact O-N 3.43Å; Y93-G140 WeakPolarHBondContact O-CA 3.4Å
94N90.5Very high92.2Very high47 Ų4753.9 Ų53.925%0.25123%0.227SC..  trans-71.238.6179-164.412.1000114.3R90 E91 F92 R96 R197R90-N94 WeakPolarHBondContact O-CB 3.3Å; R90-N94 PolarHBondContact O-N 3.45Å; E91-N94 WeakPolarHBondContact O-CB 3.39Å; E91-N94 PolarHBondContact O-N 3.38Å; F92-N94 VanDerWaalsContact C-N 3.32Å; F92-N94 PolarHBondContact O-N 3.03Å; N94-R96 PolarHBondContact O-N 3.46Å; N94-R197 HydrophobicContact CB-CG 4.38Å
95R91.9Very high91.8Very high46 Ų4654.2 Ų54.217%0.17424%0.238CC..  trans-87.974.1177.4-68.2-172.265.6-164.1-0.3110.7Y93 K97 A143 L164 Q165 V247Y93-R95 PolarHBondContact O-N 3.43Å; R95-K97 VanDerWaalsContact C-N 3.28Å; R95-K97 PolarHBondContact O-N 3.06Å; R95-A143 WeakPolarHBondContact O-CB 3.37Å; R95-L164 HydrophobicContact CB-CD1 4.11Å; R95-L164 HydrophobicContact CB-CD2 4.08Å; R95-L164 WeakPolarHBondContact O-CD2 3.38Å; R95-Q165 PolarHBondContact NH2-O 3.12Å; R95-Q165 VanDerWaalsContact NH2-O 3.1Å; R95-V247 VanDerWaalsContact CZ-CG1 3.46Å; R95-V247 PolarHBondContact NH1-O 3.24Å
96R93.1Very high91.5Very high68 Ų6856.4 Ų56.426%0.25725%0.25SS..  trans-80.17.6-174.671.2-176.4-169.1177.2-4116.7N94 T136 L137 L138 N139N94-R96 PolarHBondContact O-N 3.46Å; R96-T136 HydrophobicContact CG-CG2 3.98Å; R96-L137 WeakPolarHBondContact CD-O 3.34Å; R96-L137 PolarHBondContact O-N 3.25Å; R96-L138 VanDerWaalsContact CD-O 3.25Å; R96-L138 WeakPolarHBondContact CD-O 3.1Å; R96-L138 PolarHBondContact NH1-O 3.34Å; R96-N139 WeakPolarHBondContact CB-O 3.45Å
97K92.9Very high91.3Very high39 Ų3953.2 Ų53.217%0.1724%0.235CC..EExtended strand (participates in β ladder)trans-105127.2-179.4-65.3-177.7-175.2172.10110.7R95 V135 T136 Q165 E196R95-K97 VanDerWaalsContact C-N 3.28Å; R95-K97 PolarHBondContact O-N 3.06Å; K97-V135 WeakPolarHBondContact CA-O 3.37Å; K97-T136 HydrophobicContact CG-CG2 4.11Å; K97-Q165 HydrophobicContact CB-CB 3.86Å; K97-Q165 PolarHBondContact O-N 2.93Å; K97-E196 VanDerWaalsContact CE-CD 3.44Å; K97-E196 WeakPolarHBondContact CE-OE1 3.42Å; K97-E196 VanDerWaalsContact CE-OE2 3.23Å; K97-E196 WeakPolarHBondContact CE-OE2 3.42Å; K97-E196 IonicContact NZ-OE1 3.77Å; K97-E196 PolarHBondContact NZ-OE1 2.97Å; K97-E196 IonicContact NZ-OE2 2.66Å; K97-E196 PolarHBondContact NZ-OE2 3.28Å
98I94.8Very high91.3Very high0 Ų049.6 Ų49.60%023%0.228CC..EExtended strand (participates in β ladder)trans-117.7153.3174.466.9175.6000111I100 L116 V135 L137 A143 I147 V162 Q163 L164I98-I100 HydrophobicContact CD1-CG1 4.46Å; I98-L116 HydrophobicContact CD1-CD1 4.2Å; I98-V135 HydrophobicContact CD1-CB 4.15Å; I98-V135 HydrophobicContact CD1-CG1 4.47Å; I98-V135 HydrophobicContact CG1-CB 3.74Å; I98-V135 HydrophobicContact CG1-CG1 4.36Å; I98-V135 PolarHBondContact N-O 3.4Å; I98-V135 PolarHBondContact O-N 3.3Å; I98-L137 HydrophobicContact CB-CD1 4.47Å; I98-L137 HydrophobicContact CD1-CD1 3.77Å; I98-L137 HydrophobicContact CG1-CD1 3.75Å; I98-L137 HydrophobicContact CG2-CD1 4.02Å; I98-A143 HydrophobicContact CG2-CB 3.82Å; I98-I147 HydrophobicContact CG2-CD1 4.01Å; I98-I147 HydrophobicContact CG2-CG1 4.13Å; I98-V162 HydrophobicContact CB-CG1 4.37Å; I98-V162 HydrophobicContact CD1-CG1 3.84Å; I98-Q163 CarbonylContact C-O 3.48Å; I98-Q163 VanDerWaalsContact CA-O 3.23Å; I98-Q163 WeakPolarHBondContact CA-O 3.46Å; I98-Q163 WeakPolarHBondContact CB-O 3.08Å; I98-L164 HydrophobicContact CG2-CD2 4.4Å
99I94.1Very high91.2Very high15 Ų1552.7 Ų52.78%0.07724%0.244CC..EExtended strand (participates in β ladder)trans-116.5126.9165-172.3175.9000108.1K101 A133 F134 Q163I99-K101 HydrophobicContact CD1-CG 4.33Å; I99-K101 HydrophobicContact CG1-CG 4.23Å; I99-A133 CarbonylContact C-O 3.52Å; I99-A133 WeakPolarHBondContact CA-O 3.3Å; I99-F134 HydrophobicContact CD1-CD1 4.35Å; I99-F134 HydrophobicContact CD1-CE1 3.62Å; I99-F134 HydrophobicContact CD1-CZ 3.8Å; I99-F134 HydrophobicContact CG1-CD1 4.27Å; I99-F134 HydrophobicContact CG1-CE1 4.03Å; I99-F134 HydrophobicContact CG1-CZ 4.35Å; I99-Q163 HydrophobicContact CG2-CB 4.29Å; I99-Q163 PolarHBondContact N-O 2.7Å; I99-Q163 PolarHBondContact O-N 3.46Å
100I94Very high91.1Very high0 Ų052 Ų520%025%0.246CC..EExtended strand (participates in β ladder)trans-97134.7168.8-47-179.6000107.2I98 L103 V112 L116 T132 A133 I160 V162I98-I100 HydrophobicContact CD1-CG1 4.46Å; I100-L103 HydrophobicContact CB-CD1 4.45Å; I100-L103 HydrophobicContact CG2-CD1 4.31Å; I100-L103 HydrophobicContact CG2-CD2 3.73Å; I100-L103 HydrophobicContact CG2-CG 3.96Å; I100-V112 HydrophobicContact CD1-CG1 4.03Å; I100-L116 HydrophobicContact CD1-CD1 4.29Å; I100-T132 CarbonylContact O-C 3.35Å; I100-T132 WeakPolarHBondContact O-CA 3.29Å; I100-T132 WeakPolarHBondContact O-CB 3.17Å; I100-A133 HydrophobicContact CB-CB 4.17Å; I100-A133 HydrophobicContact CD1-CB 4.33Å; I100-A133 HydrophobicContact CG1-CB 4.39Å; I100-A133 PolarHBondContact N-O 3.44Å; I100-A133 PolarHBondContact O-N 2.67Å; I100-I160 HydrophobicContact CG2-CB 4.13Å; I100-I160 HydrophobicContact CG2-CD1 4.27Å; I100-V162 HydrophobicContact CB-CG2 4.5Å; I100-V162 HydrophobicContact CG1-CG1 4.34Å; I100-V162 HydrophobicContact CG1-CG2 4.11Å; I100-V162 HydrophobicContact CG2-CG2 4.03Å
101K93.4Very high91Very high73 Ų7347 Ų4732%0.31723%0.23SC..EExtended strand (participates in β ladder)trans-124.9161.5179.3-57.2168.4-178.4167.80110.7I99 L103 T132 I160 S161I99-K101 HydrophobicContact CD1-CG 4.33Å; I99-K101 HydrophobicContact CG1-CG 4.23Å; K101-L103 VanDerWaalsContact C-N 3.32Å; K101-L103 PolarHBondContact O-N 3.45Å; K101-T132 HydrophobicContact CB-CG2 4.47Å; K101-T132 HydrophobicContact CG-CG2 4.23Å; K101-I160 WeakPolarHBondContact O-CA 3.3Å; K101-S161 PolarHBondContact N-O 2.8Å; K101-S161 PolarHBondContact O-N 3.22Å
102N91.8Very high91Very high86 Ų8644.4 Ų44.446%0.4622%0.218SC..SBendtrans63.330.1179.9-161.641.3000114.8G131 E159N102-G131 PolarHBondContact N-O 3.47Å; N102-G131 VanDerWaalsContact N-O 3.13Å; N102-E159 WeakPolarHBondContact CB-O 3.45Å; N102-E159 PolarHBondContact ND2-O 3.42Å
103L90.7Very high91Very high0 Ų047 Ų470%023%0.23CC..  trans-64.3157.8172.6-65.7170.2000111.8I100 K101 V107 V112 G131 A133 L155 R158 I160I100-L103 HydrophobicContact CB-CD1 4.45Å; I100-L103 HydrophobicContact CG2-CD1 4.31Å; I100-L103 HydrophobicContact CG2-CD2 3.73Å; I100-L103 HydrophobicContact CG2-CG 3.96Å; K101-L103 VanDerWaalsContact C-N 3.32Å; K101-L103 PolarHBondContact O-N 3.45Å; L103-V107 HydrophobicContact CB-CB 4.47Å; L103-V107 HydrophobicContact CB-CG1 3.92Å; L103-V107 HydrophobicContact CD1-CG1 4.18Å; L103-V112 HydrophobicContact CD1-CG2 4.24Å; L103-G131 PolarHBondContact N-O 2.71Å; L103-A133 HydrophobicContact CD1-CB 3.68Å; L103-L155 HydrophobicContact CD2-CD2 3.92Å; L103-R158 PolarHBondContact O-NH1 3.36Å; L103-I160 HydrophobicContact CD2-CG2 3.95Å
104P89Confident91Very high3 Ų347.4 Ų47.42%0.01924%0.238CC..  trans-55.8147.9165.6-23.834.1000112.2D106 V107 R156P104-D106 VanDerWaalsContact C-N 3.3Å; P104-D106 VanDerWaalsContact CB-OD1 3.23Å; P104-D106 WeakPolarHBondContact CB-OD1 3.34Å; P104-D106 PolarHBondContact O-N 3.32Å; P104-V107 HydrophobicContact CB-CB 4.32Å; P104-V107 VanDerWaalsContact O-CB 3.27Å; P104-V107 WeakPolarHBondContact O-CB 3.36Å; P104-V107 WeakPolarHBondContact O-CG1 3.34Å; P104-V107 PolarHBondContact O-N 3.37Å; P104-R156 HydrophobicContact CG-CB 4.24Å
105P84.4Confident91Very high78 Ų7846.7 Ų46.751%0.50623%0.234SC..THydrogen-bonded Turntrans-73.7-24.3-176.732.2-35.5000112.7
106D86.6Confident90.9Very high79 Ų7944.5 Ų44.542%0.42223%0.226SC..THydrogen-bonded Turntrans-83.5-13.517759.9-50.1000112.9P104 K128 R156P104-D106 VanDerWaalsContact C-N 3.3Å; P104-D106 VanDerWaalsContact CB-OD1 3.23Å; P104-D106 WeakPolarHBondContact CB-OD1 3.34Å; P104-D106 PolarHBondContact O-N 3.32Å; D106-K128 PolarHBondContact O-NZ 2.91Å; D106-R156 IonicContact OD2-CZ 3.75Å; D106-R156 IonicContact OD2-NH1 2.79Å; D106-R156 PolarHBondContact OD2-NH1 2.87Å; D106-R156 IonicContact OD2-NH2 2.81Å; D106-R156 PolarHBondContact OD2-NH2 3.43Å
107V88.1Confident90.7Very high0 Ų043.9 Ų43.90%024%0.24CC..  trans-48.4138.4-174.479.60000113L103 P104 E111 V112 V126 K128L103-V107 HydrophobicContact CB-CB 4.47Å; L103-V107 HydrophobicContact CB-CG1 3.92Å; L103-V107 HydrophobicContact CD1-CG1 4.18Å; P104-V107 HydrophobicContact CB-CB 4.32Å; P104-V107 VanDerWaalsContact O-CB 3.27Å; P104-V107 WeakPolarHBondContact O-CB 3.36Å; P104-V107 WeakPolarHBondContact O-CG1 3.34Å; P104-V107 PolarHBondContact O-N 3.37Å; V107-E111 WeakPolarHBondContact CA-OE2 3.22Å; V107-E111 HydrophobicContact CG2-CB 4.1Å; V107-V112 HydrophobicContact CG2-CG2 4.17Å; V107-V126 HydrophobicContact CG1-CG1 3.66Å; V107-K128 WeakPolarHBondContact O-CE 3.36Å; V107-K128 PolarHBondContact O-NZ 3.39Å
108T90.8Very high90.6Very high54 Ų5448.3 Ų48.333%0.33127%0.266SS..  trans-99.5160.2-179.461.90000111.3Q110 E111 V112T108-Q110 PolarHBondContact O-N 3.33Å; T108-E111 WeakPolarHBondContact CB-OE2 3.47Å; T108-E111 PolarHBondContact N-OE2 3.31Å; T108-E111 WeakPolarHBondContact OG1-CG 3.27Å; T108-E111 PolarHBondContact OG1-N 3.03Å; T108-E111 PolarHBondContact OG1-OE2 3.11Å; T108-V112 PolarHBondContact O-N 3.27Å
109N91Very high90.5Very high73 Ų7350 Ų5039%0.3927%0.273SS..Hα-helixtrans-61.7-31.3168.6-62.3-74.4000110.8V112 H113 V126N109-V112 PolarHBondContact O-N 3.44Å; N109-H113 PolarHBondContact O-CD2 3.44Å; N109-H113 VanDerWaalsContact O-CD2 3.3Å; N109-H113 PolarHBondContact O-N 3.22Å; N109-V126 HydrophobicContact CB-CG2 4.39Å; N109-V126 VanDerWaalsContact OD1-CB 3.29Å; N109-V126 WeakPolarHBondContact OD1-CB 3.41Å; N109-V126 VanDerWaalsContact OD1-CG2 3.31Å; N109-V126 WeakPolarHBondContact OD1-CG2 3.5Å; N109-V126 PolarHBondContact OD1-N 2.85Å
110Q90.5Very high90.5Very high116 Ų11653.4 Ų53.454%0.54229%0.291SS..Hα-helixtrans-66.6-48.9179.3-166.260.348.200111.6T108 V112 H113 D114T108-Q110 PolarHBondContact O-N 3.33Å; Q110-V112 PolarHBondContact O-N 3.13Å; Q110-V112 VanDerWaalsContact O-N 3.11Å; Q110-H113 CarbonylContact O-C 3.46Å; Q110-H113 WeakPolarHBondContact O-CA 3.36Å; Q110-H113 WeakPolarHBondContact O-CB 3.44Å; Q110-H113 PolarHBondContact O-N 3.22Å; Q110-D114 PolarHBondContact NE2-OD1 2.78Å; Q110-D114 PolarHBondContact O-N 2.9Å
111E90.8Very high90.4Very high48 Ų4855.3 Ų55.322%0.22430%0.301CS..Hα-helixtrans-55.1-33175.1-77.5161.7117.700112.8V107 T108 L115 R156V107-E111 WeakPolarHBondContact CA-OE2 3.22Å; V107-E111 HydrophobicContact CG2-CB 4.1Å; T108-E111 WeakPolarHBondContact CB-OE2 3.47Å; T108-E111 PolarHBondContact N-OE2 3.31Å; T108-E111 WeakPolarHBondContact OG1-CG 3.27Å; T108-E111 PolarHBondContact OG1-N 3.03Å; T108-E111 PolarHBondContact OG1-OE2 3.11Å; E111-L115 WeakPolarHBondContact O-CB 3.49Å; E111-L115 PolarHBondContact O-N 3.48Å; E111-R156 IonicContact OE1-CZ 3.69Å; E111-R156 IonicContact OE1-NE 4Å; E111-R156 IonicContact OE1-NH1 2.65Å; E111-R156 PolarHBondContact OE1-NH1 3.04Å
112V91.3Very high90.4Very high0 Ų057.4 Ų57.40%031%0.31CS..Hα-helixtrans-77.8-31.6175.9178.90000112.4I100 L103 V107 T108 N109 Q110 L116 V126 A133 V135I100-V112 HydrophobicContact CD1-CG1 4.03Å; L103-V112 HydrophobicContact CD1-CG2 4.24Å; V107-V112 HydrophobicContact CG2-CG2 4.17Å; T108-V112 PolarHBondContact O-N 3.27Å; N109-V112 PolarHBondContact O-N 3.44Å; Q110-V112 PolarHBondContact O-N 3.13Å; Q110-V112 VanDerWaalsContact O-N 3.11Å; V112-L116 HydrophobicContact CG1-CD1 4.47Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 3.38Å; V112-V126 HydrophobicContact CB-CG2 4.21Å; V112-V126 HydrophobicContact CG2-CG2 3.77Å; V112-A133 HydrophobicContact CG1-CB 4.09Å; V112-A133 HydrophobicContact CG2-CB 4.39Å; V112-V135 HydrophobicContact CG1-CG2 4.16Å
113H90.8Very high90.4Very high70 Ų7059.4 Ų59.432%0.32431%0.312SS..Hα-helixtrans-68.9-40.1169.4-90.5-82.1000112N109 Q110 L116 G117 C124N109-H113 PolarHBondContact O-CD2 3.44Å; N109-H113 VanDerWaalsContact O-CD2 3.3Å; N109-H113 PolarHBondContact O-N 3.22Å; Q110-H113 CarbonylContact O-C 3.46Å; Q110-H113 WeakPolarHBondContact O-CA 3.36Å; Q110-H113 WeakPolarHBondContact O-CB 3.44Å; Q110-H113 PolarHBondContact O-N 3.22Å; H113-L116 CarbonylContact O-C 3.51Å; H113-L116 PolarHBondContact O-N 3.23Å; H113-G117 WeakPolarHBondContact O-CA 3.49Å; H113-G117 PolarHBondContact O-N 3.43Å; H113-C124 VanDerWaalsContact NE2-CB 3.31Å; H113-C124 WeakPolarHBondContact NE2-CB 3.49Å
114D91.1Very high90.5Very high101 Ų10160.5 Ų60.554%0.5432%0.32SS..Hα-helixtrans-69.8-44.5179.6-58.1-25.2000110.6Q110 L116 G117Q110-D114 PolarHBondContact NE2-OD1 2.78Å; Q110-D114 PolarHBondContact O-N 2.9Å; D114-L116 VanDerWaalsContact C-N 3.27Å; D114-L116 PolarHBondContact O-N 3.07Å; D114-G117 PolarHBondContact O-N 3.05Å
115L89.4Confident90.7Very high32 Ų3264.8 Ų64.817%0.16834%0.338CS..Hα-helixtrans-56-41.6173.6179.469000112E111 F150 L155 I160E111-L115 WeakPolarHBondContact O-CB 3.49Å; E111-L115 PolarHBondContact O-N 3.48Å; L115-F150 HydrophobicContact CD1-CD1 3.64Å; L115-F150 HydrophobicContact CD1-CE1 3.6Å; L115-F150 HydrophobicContact CG-CD1 4.01Å; L115-F150 HydrophobicContact CG-CE1 4.04Å; L115-F150 WeakPolarHBondContact O-CE1 3.38Å; L115-F150 WeakPolarHBondContact O-CZ 3.21Å; L115-L155 HydrophobicContact CD2-CD2 4.5Å; L115-I160 HydrophobicContact CD2-CD1 3.71Å
116L91.2Very high91.1Very high0 Ų061.6 Ų61.60%032%0.317CS..THydrogen-bonded Turntrans-95.719.9178-63.5178.9000112.8I98 I100 V112 H113 D114 N118 Y119 L121 V135 A146 F150I98-L116 HydrophobicContact CD1-CD1 4.2Å; I100-L116 HydrophobicContact CD1-CD1 4.29Å; V112-L116 HydrophobicContact CG1-CD1 4.47Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 3.38Å; H113-L116 CarbonylContact O-C 3.51Å; H113-L116 PolarHBondContact O-N 3.23Å; D114-L116 VanDerWaalsContact C-N 3.27Å; D114-L116 PolarHBondContact O-N 3.07Å; L116-N118 PolarHBondContact O-N 3.32Å; L116-Y119 WeakPolarHBondContact O-CB 3.3Å; L116-Y119 PolarHBondContact O-N 3.23Å; L116-L121 HydrophobicContact CB-CD1 3.96Å; L116-L121 HydrophobicContact CB-CD2 4.13Å; L116-L121 HydrophobicContact CB-CG 4.3Å; L116-L121 HydrophobicContact CD1-CD2 4.04Å; L116-V135 HydrophobicContact CD1-CB 4.33Å; L116-V135 HydrophobicContact CD1-CG1 3.92Å; L116-V135 HydrophobicContact CD1-CG2 4.03Å; L116-A146 HydrophobicContact CD2-CB 4.19Å; L116-F150 HydrophobicContact CD2-CD2 3.58Å; L116-F150 HydrophobicContact CD2-CE2 3.6Å; L116-F150 HydrophobicContact CD2-CG 4.42Å; L116-F150 HydrophobicContact CD2-CZ 4.44Å
117G88.7Confident91.4Very high54 Ų5458.8 Ų58.856%0.55730%0.302SS*.THydrogen-bonded Turntrans-61.1-20-172.900000115H113 D114 Y119H113-G117 WeakPolarHBondContact O-CA 3.49Å; H113-G117 PolarHBondContact O-N 3.43Å; D114-G117 PolarHBondContact O-N 3.05Å; G117-Y119 PolarHBondContact O-N 3.31Å
118N90.8Very high91.5Very high133 Ų13363 Ų6371%0.71132%0.32SS*.THydrogen-bonded Turntrans-75.4-1.6173.1-63.9-18.2000113.7L116L116-N118 PolarHBondContact O-N 3.32Å
119Y93.3Very high91.4Very high34 Ų3471.4 Ų71.413%0.13335%0.348CS..SBendtrans-132152.3-168.1-64.9-90.2000113.1L116 G117 L121 L137 Q142 C145 A146 E149 F150L116-Y119 WeakPolarHBondContact O-CB 3.3Å; L116-Y119 PolarHBondContact O-N 3.23Å; G117-Y119 PolarHBondContact O-N 3.31Å; Y119-L121 WeakPolarHBondContact O-CD1 3.33Å; Y119-L121 PolarHBondContact O-N 2.98Å; Y119-L121 VanDerWaalsContact O-N 3.11Å; Y119-L137 HydrophobicContact CD1-CD2 3.92Å; Y119-L137 HydrophobicContact CG-CD2 4.12Å; Y119-Q142 HydrophobicContact CD1-CB 3.82Å; Y119-Q142 HydrophobicContact CD1-CG 3.88Å; Y119-Q142 HydrophobicContact CE1-CB 4.29Å; Y119-Q142 HydrophobicContact CE1-CG 4.43Å; Y119-Q142 WeakPolarHBondContact CE1-O 3.29Å; Y119-C145 HydrophobicContact CE1-CB 3.9Å; Y119-C145 WeakPolarHBondContact OH-CB 3.43Å; Y119-A146 HydrophobicContact CD1-CB 4.41Å; Y119-A146 HydrophobicContact CE1-CB 4.1Å; Y119-A146 HydrophobicContact CE2-CB 4.29Å; Y119-A146 PolarHBondContact OH-N 2.97Å; Y119-E149 VanDerWaalsContact CE2-OE2 3.23Å; Y119-E149 WeakPolarHBondContact CE2-OE2 3.43Å; Y119-E149 VanDerWaalsContact CZ-OE2 3.3Å; Y119-E149 PolarHBondContact OH-OE2 2.9Å; Y119-F150 HydrophobicContact CD2-CE2 4.31Å; Y119-F150 AromaticContact CE2-CE2 3.76Å; Y119-F150 HydrophobicContact CE2-CE2 3.76Å
120D92.4Very high91.3Very high88 Ų8875 Ų7547%0.47136%0.36SS..  trans-83.887.3-178.5-66.8-74.3000112.3K122 L137 L138 Q142D120-K122 PolarHBondContact O-N 3.12Å; D120-K122 VanDerWaalsContact O-N 3.14Å; D120-L137 CarbonylContact O-C 3.58Å; D120-L137 WeakPolarHBondContact O-CA 3.23Å; D120-L138 HydrophobicContact CB-CB 3.58Å; D120-L138 HydrophobicContact CB-CD2 4.19Å; D120-L138 PolarHBondContact O-N 3.5Å; D120-L138 WeakPolarHBondContact OD2-CD2 3.41Å; D120-Q142 PolarHBondContact OD2-NE2 3.32Å
121L93.3Very high91.3Very high39 Ų3970 Ų7020%0.20434%0.339CS..  trans-70.1104.8174.6-6099.4000111.5L116 Y119 C124 V135L116-L121 HydrophobicContact CB-CD1 3.96Å; L116-L121 HydrophobicContact CB-CD2 4.13Å; L116-L121 HydrophobicContact CB-CG 4.3Å; L116-L121 HydrophobicContact CD1-CD2 4.04Å; Y119-L121 WeakPolarHBondContact O-CD1 3.33Å; Y119-L121 PolarHBondContact O-N 2.98Å; Y119-L121 VanDerWaalsContact O-N 3.11Å; L121-C124 HydrophobicContact CD2-CB 3.97Å; L121-V135 HydrophobicContact CD2-CG1 3.77Å; L121-V135 HydrophobicContact CD2-CG2 4.43Å; L121-V135 HydrophobicContact CG-CG1 4.21Å
122K92.1Very high91.4Very high117 Ų11768.5 Ų68.551%0.50933%0.333SS..SBendtrans-79.7-24.1170.1-71.5-175.4174.7173.20113.5D120 T136D120-K122 PolarHBondContact O-N 3.12Å; D120-K122 VanDerWaalsContact O-N 3.14Å; K122-T136 PolarHBondContact N-O 3.07Å
123Y91.7Very high91.5Very high128 Ų12868.5 Ų68.550%0.50233%0.333SS..EExtended strand (participates in β ladder)trans-154.9135.3175-179.2-97.6000109.1F125 V135 T136Y123-F125 HydrophobicContact CE1-CB 3.6Å; Y123-V135 CarbonylContact O-C 3.49Å; Y123-V135 VanDerWaalsContact O-CA 3.3Å; Y123-V135 WeakPolarHBondContact O-CA 3.09Å; Y123-T136 PolarHBondContact N-O 3.29Å; Y123-T136 PolarHBondContact O-N 3.25Å
124C93.1Very high91.7Very high23 Ų2367.9 Ų67.916%0.15533%0.329CS..EExtended strand (participates in β ladder)trans-135.4133.8171.7-176.60000108.3H113 L121 V135H113-C124 VanDerWaalsContact NE2-CB 3.31Å; H113-C124 WeakPolarHBondContact NE2-CB 3.49Å; L121-C124 HydrophobicContact CD2-CB 3.97Å; C124-V135 HydrophobicContact CB-CG2 4.42Å
125F93.2Very high91.9Very high94 Ų9463 Ų6341%0.41230%0.304SS..EExtended strand (participates in β ladder)trans-145.8116.7174.7172.3-101.4000110.9Y123 D127 A133 F134Y123-F125 HydrophobicContact CE1-CB 3.6Å; F125-D127 HydrophobicContact CE1-CB 4.08Å; F125-A133 CarbonylContact O-C 3.5Å; F125-A133 WeakPolarHBondContact O-CA 3.28Å; F125-F134 HydrophobicContact CD1-CD2 4.09Å; F125-F134 PolarHBondContact N-O 3.11Å; F125-F134 PolarHBondContact O-N 3.34Å
126V93.4Very high92.1Very high10 Ų1062.5 Ų62.56%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-95.5114.7176.7177.80000111.1V107 N109 V112 K128 A133V107-V126 HydrophobicContact CG1-CG1 3.66Å; N109-V126 HydrophobicContact CB-CG2 4.39Å; N109-V126 VanDerWaalsContact OD1-CB 3.29Å; N109-V126 WeakPolarHBondContact OD1-CB 3.41Å; N109-V126 VanDerWaalsContact OD1-CG2 3.31Å; N109-V126 WeakPolarHBondContact OD1-CG2 3.5Å; N109-V126 PolarHBondContact OD1-N 2.85Å; V112-V126 HydrophobicContact CB-CG2 4.21Å; V112-V126 HydrophobicContact CG2-CG2 3.77Å; V126-K128 HydrophobicContact CG1-CG 3.97Å; V126-K128 PolarHBondContact O-N 3.5Å; V126-A133 HydrophobicContact CG2-CB 4.02Å
127D93.1Very high92.2Very high20 Ų2062.5 Ų62.511%0.10730%0.302CS..EExtended strand (participates in β ladder)trans-85.889.7164.7-173.1-18.4000109.6F125 Y129 K130 G131 T132F125-D127 HydrophobicContact CE1-CB 4.08Å; D127-Y129 PolarHBondContact O-N 3.1Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.06Å; D127-Y129 PolarHBondContact OD1-N 3.22Å; D127-Y129 VanDerWaalsContact OD1-N 3.14Å; D127-K130 HydrophobicContact CB-CB 4.49Å; D127-K130 PolarHBondContact O-N 2.99Å; D127-K130 VanDerWaalsContact O-N 3.17Å; D127-K130 PolarHBondContact OD1-N 3.36Å; D127-K130 WeakPolarHBondContact OD2-CG 3.4Å; D127-K130 IonicContact OD2-NZ 3.2Å; D127-K130 PolarHBondContact OD2-NZ 2.68Å; D127-G131 PolarHBondContact O-N 2.76Å; D127-T132 PolarHBondContact N-O 3.19Å; D127-T132 PolarHBondContact O-N 2.94Å
128K88.8Confident92.3Very high89 Ų8962.4 Ų62.439%0.38729%0.288SS..THydrogen-bonded Turntrans-57.4-31.5179.1-66.6-173.4175.9-111.30113.1D106 V107 V126 K130D106-K128 PolarHBondContact O-NZ 2.91Å; V107-K128 WeakPolarHBondContact O-CE 3.36Å; V107-K128 PolarHBondContact O-NZ 3.39Å; V126-K128 HydrophobicContact CG1-CG 3.97Å; V126-K128 PolarHBondContact O-N 3.5Å; K128-K130 VanDerWaalsContact C-N 3.3Å; K128-K130 PolarHBondContact O-N 2.9Å
129Y88.8Confident92.4Very high231 Ų23159.3 Ų59.391%0.90627%0.272SS*.THydrogen-bonded Turntrans-72.1-25-178.6-59.9-78.4000112.8D127D127-Y129 PolarHBondContact O-N 3.1Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.06Å; D127-Y129 PolarHBondContact OD1-N 3.22Å; D127-Y129 VanDerWaalsContact OD1-N 3.14Å
130K89.9Confident92.2Very high149 Ų14957.9 Ų57.965%0.64827%0.267SS*.THydrogen-bonded Turntrans-102.7-10.1176.7-61.8-165.9-168.682.50114D127 K128 T132D127-K130 HydrophobicContact CB-CB 4.49Å; D127-K130 PolarHBondContact O-N 2.99Å; D127-K130 VanDerWaalsContact O-N 3.17Å; D127-K130 PolarHBondContact OD1-N 3.36Å; D127-K130 WeakPolarHBondContact OD2-CG 3.4Å; D127-K130 IonicContact OD2-NZ 3.2Å; D127-K130 PolarHBondContact OD2-NZ 2.68Å; K128-K130 VanDerWaalsContact C-N 3.3Å; K128-K130 PolarHBondContact O-N 2.9Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 HydrophobicContact CB-CG2 4.09Å
131G89.6Confident92.2Very high9 Ų959.8 Ų59.89%0.09327%0.273CS..THydrogen-bonded Turntrans6238.1-169.400000112N102 L103 D127N102-G131 PolarHBondContact N-O 3.47Å; N102-G131 VanDerWaalsContact N-O 3.13Å; L103-G131 PolarHBondContact N-O 2.71Å; D127-G131 PolarHBondContact O-N 2.76Å
132T93.7Very high92.2Very high17 Ų1759.9 Ų59.910%0.10427%0.272CS..EExtended strand (participates in β ladder)trans-129.4134.6-177.958.70000112.4I100 K101 D127 K130I100-T132 CarbonylContact O-C 3.35Å; I100-T132 WeakPolarHBondContact O-CA 3.29Å; I100-T132 WeakPolarHBondContact O-CB 3.17Å; K101-T132 HydrophobicContact CB-CG2 4.47Å; K101-T132 HydrophobicContact CG-CG2 4.23Å; D127-T132 PolarHBondContact N-O 3.19Å; D127-T132 PolarHBondContact O-N 2.94Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 HydrophobicContact CB-CG2 4.09Å
133A94Very high92.3Very high0 Ų054.3 Ų54.30%025%0.248CC..EExtended strand (participates in β ladder)trans-109.4143.3169.800000111.3I99 I100 L103 V112 F125 V126I99-A133 CarbonylContact C-O 3.52Å; I99-A133 WeakPolarHBondContact CA-O 3.3Å; I100-A133 HydrophobicContact CB-CB 4.17Å; I100-A133 HydrophobicContact CD1-CB 4.33Å; I100-A133 HydrophobicContact CG1-CB 4.39Å; I100-A133 PolarHBondContact N-O 3.44Å; I100-A133 PolarHBondContact O-N 2.67Å; L103-A133 HydrophobicContact CD1-CB 3.68Å; V112-A133 HydrophobicContact CG1-CB 4.09Å; V112-A133 HydrophobicContact CG2-CB 4.39Å; F125-A133 CarbonylContact O-C 3.5Å; F125-A133 WeakPolarHBondContact O-CA 3.28Å; V126-A133 HydrophobicContact CG2-CB 4.02Å
134F94.7Very high92.3Very high57 Ų5751.2 Ų51.225%0.2524%0.238CC..EExtended strand (participates in β ladder)trans-112.5117.7173.5-63.9-94.8000108I99 F125I99-F134 HydrophobicContact CD1-CD1 4.35Å; I99-F134 HydrophobicContact CD1-CE1 3.62Å; I99-F134 HydrophobicContact CD1-CZ 3.8Å; I99-F134 HydrophobicContact CG1-CD1 4.27Å; I99-F134 HydrophobicContact CG1-CE1 4.03Å; I99-F134 HydrophobicContact CG1-CZ 4.35Å; F125-F134 HydrophobicContact CD1-CD2 4.09Å; F125-F134 PolarHBondContact N-O 3.11Å; F125-F134 PolarHBondContact O-N 3.34Å
135V94.4Very high92.3Very high0 Ų053 Ų530%025%0.25CS..EExtended strand (participates in β ladder)trans-125.9135.8-175.5177.80000110.3K97 I98 V112 L116 L121 Y123 C124 L137K97-V135 WeakPolarHBondContact CA-O 3.37Å; I98-V135 HydrophobicContact CD1-CB 4.15Å; I98-V135 HydrophobicContact CD1-CG1 4.47Å; I98-V135 HydrophobicContact CG1-CB 3.74Å; I98-V135 HydrophobicContact CG1-CG1 4.36Å; I98-V135 PolarHBondContact N-O 3.4Å; I98-V135 PolarHBondContact O-N 3.3Å; V112-V135 HydrophobicContact CG1-CG2 4.16Å; L116-V135 HydrophobicContact CD1-CB 4.33Å; L116-V135 HydrophobicContact CD1-CG1 3.92Å; L116-V135 HydrophobicContact CD1-CG2 4.03Å; L121-V135 HydrophobicContact CD2-CG1 3.77Å; L121-V135 HydrophobicContact CD2-CG2 4.43Å; L121-V135 HydrophobicContact CG-CG1 4.21Å; Y123-V135 CarbonylContact O-C 3.49Å; Y123-V135 VanDerWaalsContact O-CA 3.3Å; Y123-V135 WeakPolarHBondContact O-CA 3.09Å; C124-V135 HydrophobicContact CB-CG2 4.42Å; V135-L137 HydrophobicContact CG1-CD1 3.94Å; V135-L137 HydrophobicContact CG1-CG 4.25Å
136T93.5Very high92.3Very high20 Ų2048.5 Ų48.512%0.12323%0.231CC..EExtended strand (participates in β ladder)trans-114116.3170.4-52.60000108.4R96 K97 K122 Y123R96-T136 HydrophobicContact CG-CG2 3.98Å; K97-T136 HydrophobicContact CG-CG2 4.11Å; K122-T136 PolarHBondContact N-O 3.07Å; Y123-T136 PolarHBondContact N-O 3.29Å; Y123-T136 PolarHBondContact O-N 3.25Å
137L93.9Very high92.2Very high0 Ų049.7 Ų49.70%024%0.236CC..  trans-87.1178.5178.6-62.589.7000110.3R96 I98 Y119 D120 V135 Q142 A143 A146R96-L137 WeakPolarHBondContact CD-O 3.34Å; R96-L137 PolarHBondContact O-N 3.25Å; I98-L137 HydrophobicContact CB-CD1 4.47Å; I98-L137 HydrophobicContact CD1-CD1 3.77Å; I98-L137 HydrophobicContact CG1-CD1 3.75Å; I98-L137 HydrophobicContact CG2-CD1 4.02Å; Y119-L137 HydrophobicContact CD1-CD2 3.92Å; Y119-L137 HydrophobicContact CG-CD2 4.12Å; D120-L137 CarbonylContact O-C 3.58Å; D120-L137 WeakPolarHBondContact O-CA 3.23Å; V135-L137 HydrophobicContact CG1-CD1 3.94Å; V135-L137 HydrophobicContact CG1-CG 4.25Å; L137-Q142 HydrophobicContact CB-CB 4.13Å; L137-Q142 HydrophobicContact CD2-CB 3.89Å; L137-A143 HydrophobicContact CD1-CB 4.09Å; L137-A146 HydrophobicContact CD2-CB 4.04Å
138L91.6Very high92.2Very high53 Ų5356.8 Ų56.828%0.27727%0.266SS..SBendtrans-61.7-52.8177.2165.357.1000111.8R96 D120R96-L138 VanDerWaalsContact CD-O 3.25Å; R96-L138 WeakPolarHBondContact CD-O 3.1Å; R96-L138 PolarHBondContact NH1-O 3.34Å; D120-L138 HydrophobicContact CB-CB 3.58Å; D120-L138 HydrophobicContact CB-CD2 4.19Å; D120-L138 PolarHBondContact O-N 3.5Å; D120-L138 WeakPolarHBondContact OD2-CD2 3.41Å
139N91.6Very high92.4Very high68 Ų6856.4 Ų56.436%0.36427%0.266SS..SBendtrans-134.8164.9-171.8-69-10.7000112.4R96 E141 A143R96-N139 WeakPolarHBondContact CB-O 3.45Å; N139-E141 VanDerWaalsContact C-N 3.33Å; N139-E141 PolarHBondContact O-N 2.58Å; N139-A143 PolarHBondContact O-N 3.28Å
140G90.4Very high92.5Very high3 Ų346.1 Ų46.13%0.03123%0.226CC..Hα-helixtrans-65.4-29.3175.800000114.8Y93 A143 Q144Y93-G140 WeakPolarHBondContact O-CA 3.4Å; G140-A143 PolarHBondContact O-N 3.46Å; G140-Q144 WeakPolarHBondContact O-CG 3.26Å; G140-Q144 PolarHBondContact O-N 3.35Å
141E91.3Very high92.6Very high129 Ų12942 Ų4260%0.60321%0.209SC*.Hα-helixtrans-63.8-50.9175.6-70151.6-166.700111.5N139 A143 Q144 C145N139-E141 VanDerWaalsContact C-N 3.33Å; N139-E141 PolarHBondContact O-N 2.58Å; E141-A143 PolarHBondContact O-N 3.18Å; E141-Q144 PolarHBondContact O-N 2.9Å; E141-C145 PolarHBondContact O-N 3.25Å; E141-C145 PolarHBondContact O-SG 3.18Å
142Q93.4Very high92.6Very high40 Ų4047.3 Ų47.319%0.18723%0.231CC..Hα-helixtrans-53.9-41.9173.2-81.7-171-2.100111.6Y119 D120 L137 Q144 C145 A146Y119-Q142 HydrophobicContact CD1-CB 3.82Å; Y119-Q142 HydrophobicContact CD1-CG 3.88Å; Y119-Q142 HydrophobicContact CE1-CB 4.29Å; Y119-Q142 HydrophobicContact CE1-CG 4.43Å; Y119-Q142 WeakPolarHBondContact CE1-O 3.29Å; D120-Q142 PolarHBondContact OD2-NE2 3.32Å; L137-Q142 HydrophobicContact CB-CB 4.13Å; L137-Q142 HydrophobicContact CD2-CB 3.89Å; Q142-Q144 PolarHBondContact O-N 3.42Å; Q142-C145 PolarHBondContact O-N 3.26Å; Q142-A146 WeakPolarHBondContact O-CB 3.33Å; Q142-A146 PolarHBondContact O-N 2.79Å
143A93.3Very high92.4Very high0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-64.6-36.7176.700000113R95 I98 L137 N139 G140 E141 I147 L164R95-A143 WeakPolarHBondContact O-CB 3.37Å; I98-A143 HydrophobicContact CG2-CB 3.82Å; L137-A143 HydrophobicContact CD1-CB 4.09Å; N139-A143 PolarHBondContact O-N 3.28Å; G140-A143 PolarHBondContact O-N 3.46Å; E141-A143 PolarHBondContact O-N 3.18Å; A143-I147 VanDerWaalsContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CG1 3.29Å; A143-I147 PolarHBondContact O-N 2.92Å; A143-I147 VanDerWaalsContact O-N 3.09Å; A143-L164 HydrophobicContact CB-CD2 4.25Å
144Q92.1Very high92.2Very high64 Ų6455.8 Ų55.830%0.29927%0.274SS..Hα-helixtrans-70.7-39.7174.6-71-178.349.300112.4G140 E141 Q142 I147 K148G140-Q144 WeakPolarHBondContact O-CG 3.26Å; G140-Q144 PolarHBondContact O-N 3.35Å; E141-Q144 PolarHBondContact O-N 2.9Å; Q142-Q144 PolarHBondContact O-N 3.42Å; Q144-I147 PolarHBondContact O-N 2.95Å; Q144-K148 WeakPolarHBondContact O-CG 3.32Å; Q144-K148 PolarHBondContact O-N 2.71Å
145C93Very high91.7Very high60 Ų6054.5 Ų54.541%0.40527%0.269SS..Hα-helixtrans-64.6-48.6175.1-66.30000111.2Y119 E141 Q142 I147 K148 E149Y119-C145 HydrophobicContact CE1-CB 3.9Å; Y119-C145 WeakPolarHBondContact OH-CB 3.43Å; E141-C145 PolarHBondContact O-N 3.25Å; E141-C145 PolarHBondContact O-SG 3.18Å; Q142-C145 PolarHBondContact O-N 3.26Å; C145-I147 PolarHBondContact O-N 2.96Å; C145-K148 PolarHBondContact O-N 3.01Å; C145-E149 WeakPolarHBondContact O-CB 3.42Å; C145-E149 PolarHBondContact O-N 3.38Å
146A93.1Very high91.1Very high0 Ų060.8 Ų60.80%029%0.293CS..Hα-helixtrans-61.1-29.8175.900000113.2L116 Y119 L137 Q142 F150L116-A146 HydrophobicContact CD2-CB 4.19Å; Y119-A146 HydrophobicContact CD1-CB 4.41Å; Y119-A146 HydrophobicContact CE1-CB 4.1Å; Y119-A146 HydrophobicContact CE2-CB 4.29Å; Y119-A146 PolarHBondContact OH-N 2.97Å; L137-A146 HydrophobicContact CD2-CB 4.04Å; Q142-A146 WeakPolarHBondContact O-CB 3.33Å; Q142-A146 PolarHBondContact O-N 2.79Å; A146-F150 HydrophobicContact CB-CD2 4.26Å; A146-F150 WeakPolarHBondContact O-CB 3.36Å; A146-F150 WeakPolarHBondContact O-CD2 3.44Å; A146-F150 PolarHBondContact O-N 2.89Å
147I93Very high90.7Very high35 Ų3568.9 Ų68.918%0.17933%0.329CS..Hα-helixtrans-69.2-49.6169.4-72.2162000110.8I98 A143 Q144 C145 E149 H151 V162 L164I98-I147 HydrophobicContact CG2-CD1 4.01Å; I98-I147 HydrophobicContact CG2-CG1 4.13Å; A143-I147 VanDerWaalsContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CG1 3.29Å; A143-I147 PolarHBondContact O-N 2.92Å; A143-I147 VanDerWaalsContact O-N 3.09Å; Q144-I147 PolarHBondContact O-N 2.95Å; C145-I147 PolarHBondContact O-N 2.96Å; I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 3.17Å; I147-H151 HydrophobicContact CG2-CB 4.46Å; I147-H151 WeakPolarHBondContact O-CB 3.35Å; I147-H151 PolarHBondContact O-N 2.87Å; I147-V162 HydrophobicContact CG1-CG1 3.86Å; I147-L164 HydrophobicContact CD1-CB 4.32Å; I147-L164 HydrophobicContact CD1-CD2 3.6Å; I147-L164 HydrophobicContact CD1-CG 3.55Å
148K92.8Very high90.3Very high168 Ų16873.7 Ų73.773%0.7335%0.348SS*.Hα-helixtrans-61.4-33.7-180-71.7172.4-179.2-179.80113Q144 C145Q144-K148 WeakPolarHBondContact O-CG 3.32Å; Q144-K148 PolarHBondContact O-N 2.71Å; C145-K148 PolarHBondContact O-N 3.01Å
149E92.2Very high90.3Very high81 Ų8176 Ų7638%0.37936%0.357SS..Hα-helixtrans-81.9-48.8-177.7-171.7174.6-169.800112.2Y119 C145 I147 I153Y119-E149 VanDerWaalsContact CE2-OE2 3.23Å; Y119-E149 WeakPolarHBondContact CE2-OE2 3.43Å; Y119-E149 VanDerWaalsContact CZ-OE2 3.3Å; Y119-E149 PolarHBondContact OH-OE2 2.9Å; C145-E149 WeakPolarHBondContact O-CB 3.42Å; C145-E149 PolarHBondContact O-N 3.38Å; I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 3.17Å; E149-I153 WeakPolarHBondContact O-CD1 3.28Å; E149-I153 WeakPolarHBondContact O-CG1 3.42Å
150F91.1Very high90.4Very high16 Ų1672.8 Ų72.87%0.0734%0.34CS..Hα-helixtrans-102.7-5.4-170.1-59.7-71.2000115.5L115 L116 Y119 A146 Q152 I153 I160 V162L115-F150 HydrophobicContact CD1-CD1 3.64Å; L115-F150 HydrophobicContact CD1-CE1 3.6Å; L115-F150 HydrophobicContact CG-CD1 4.01Å; L115-F150 HydrophobicContact CG-CE1 4.04Å; L115-F150 WeakPolarHBondContact O-CE1 3.38Å; L115-F150 WeakPolarHBondContact O-CZ 3.21Å; L116-F150 HydrophobicContact CD2-CD2 3.58Å; L116-F150 HydrophobicContact CD2-CE2 3.6Å; L116-F150 HydrophobicContact CD2-CG 4.42Å; L116-F150 HydrophobicContact CD2-CZ 4.44Å; Y119-F150 HydrophobicContact CD2-CE2 4.31Å; Y119-F150 AromaticContact CE2-CE2 3.76Å; Y119-F150 HydrophobicContact CE2-CE2 3.76Å; A146-F150 HydrophobicContact CB-CD2 4.26Å; A146-F150 WeakPolarHBondContact O-CB 3.36Å; A146-F150 WeakPolarHBondContact O-CD2 3.44Å; A146-F150 PolarHBondContact O-N 2.89Å; F150-Q152 PolarHBondContact O-N 3.3Å; F150-I153 HydrophobicContact CD1-CD1 4.02Å; F150-I153 PolarHBondContact O-N 3.28Å; F150-I160 HydrophobicContact CB-CD1 4.49Å; F150-I160 WeakPolarHBondContact O-CG1 3.23Å; F150-V162 HydrophobicContact CB-CG2 3.75Å
151H92.2Very high90.5Very high62 Ų6273.9 Ų73.929%0.28735%0.347SS..THydrogen-bonded Turntrans-69.3124.9174.6-172.681.9000110.6I147 I153 S161 V162I147-H151 HydrophobicContact CG2-CB 4.46Å; I147-H151 WeakPolarHBondContact O-CB 3.35Å; I147-H151 PolarHBondContact O-N 2.87Å; H151-I153 VanDerWaalsContact C-N 3.29Å; H151-I153 PolarHBondContact O-N 3.16Å; H151-S161 PolarHBondContact CE1-OG 2.79Å; H151-V162 HydrophobicContact CB-CB 4.47Å; H151-V162 PolarHBondContact ND1-O 2.7Å
152Q89.8Confident90.6Very high120 Ų12067.8 Ų67.856%0.56132%0.319SS*.THydrogen-bonded Turntrans70.115.6-177.5-53.1172.125.400115F150 E159 I160F150-Q152 PolarHBondContact O-N 3.3Å; Q152-E159 HydrophobicContact CB-CG 4.1Å; Q152-E159 WeakPolarHBondContact CG-OE1 3.46Å; Q152-I160 WeakPolarHBondContact CA-O 3.25Å; Q152-I160 PolarHBondContact N-O 3.4Å
153I89.9Confident90.6Very high68 Ų6869.4 Ų69.435%0.34933%0.326SS..  trans-71.3140.8168-77.6-166.3000110.9E149 F150 H151 L155 E159 I160E149-I153 WeakPolarHBondContact O-CD1 3.28Å; E149-I153 WeakPolarHBondContact O-CG1 3.42Å; F150-I153 HydrophobicContact CD1-CD1 4.02Å; F150-I153 PolarHBondContact O-N 3.28Å; H151-I153 VanDerWaalsContact C-N 3.29Å; H151-I153 PolarHBondContact O-N 3.16Å; I153-L155 PolarHBondContact O-N 2.84Å; I153-E159 WeakPolarHBondContact O-CA 3.41Å; I153-I160 PolarHBondContact O-N 3.39Å
154I88.1Confident90.6Very high128 Ų12871.8 Ų71.866%0.65634%0.339SS*.EExtended strand (participates in β ladder)trans-85.198.3175.2-55.9176.3000109.6R158I154-R158 CarbonylContact C-O 3.56Å; I154-R158 WeakPolarHBondContact CA-O 3.47Å
155L85.4Confident90.6Very high30 Ų3071 Ų7116%0.15734%0.335CS..EExtended strand (participates in β ladder)trans-91.4110.1170.7-176.869000109.5L103 L115 I153 E157 R158 I160L103-L155 HydrophobicContact CD2-CD2 3.92Å; L115-L155 HydrophobicContact CD2-CD2 4.5Å; I153-L155 PolarHBondContact O-N 2.84Å; L155-E157 PolarHBondContact O-N 2.95Å; L155-R158 PolarHBondContact N-O 3.15Å; L155-R158 PolarHBondContact O-N 3.23Å; L155-I160 HydrophobicContact CB-CD1 4.49Å; L155-I160 HydrophobicContact CB-CG2 3.67Å; L155-I160 HydrophobicContact CD2-CG2 4.2Å
156R82.4Confident90.4Very high131 Ų13172.6 Ų72.649%0.49434%0.344SS..THydrogen-bonded Turntrans50.658.9174.5-58.6179.259.6-150.1-18111.9P104 D106 E111 R158P104-R156 HydrophobicContact CG-CB 4.24Å; D106-R156 IonicContact OD2-CZ 3.75Å; D106-R156 IonicContact OD2-NH1 2.79Å; D106-R156 PolarHBondContact OD2-NH1 2.87Å; D106-R156 IonicContact OD2-NH2 2.81Å; D106-R156 PolarHBondContact OD2-NH2 3.43Å; E111-R156 IonicContact OE1-CZ 3.69Å; E111-R156 IonicContact OE1-NE 4Å; E111-R156 IonicContact OE1-NH1 2.65Å; E111-R156 PolarHBondContact OE1-NH1 3.04Å; R156-R158 PolarHBondContact O-N 2.84Å
157E83.9Confident90.1Very high190 Ų19074 Ų7489%0.88835%0.353SS*.THydrogen-bonded Turntrans65.49.6-178-55.2177.5178.200115.7L155L155-E157 PolarHBondContact O-N 2.95Å
158R86.4Confident90Very high101 Ų10176.5 Ų76.538%0.38137%0.367SS..EExtended strand (participates in β ladder)trans-121.6126.4174.4-65-173.7176.4-153-8.8112.9L103 I154 L155 R156 I160L103-R158 PolarHBondContact O-NH1 3.36Å; I154-R158 CarbonylContact C-O 3.56Å; I154-R158 WeakPolarHBondContact CA-O 3.47Å; L155-R158 PolarHBondContact N-O 3.15Å; L155-R158 PolarHBondContact O-N 3.23Å; R156-R158 PolarHBondContact O-N 2.84Å; R158-I160 PolarHBondContact O-N 2.94Å
159E91.5Very high90Very high102 Ų10268.8 Ų68.848%0.47733%0.334SS..EExtended strand (participates in β ladder)trans-66.4115.7168.6-173.5-16313600110.5N102 Q152 I153N102-E159 WeakPolarHBondContact CB-O 3.45Å; N102-E159 PolarHBondContact ND2-O 3.42Å; Q152-E159 HydrophobicContact CB-CG 4.1Å; Q152-E159 WeakPolarHBondContact CG-OE1 3.46Å; I153-E159 WeakPolarHBondContact O-CA 3.41Å
160I92.9Very high90.1Very high0 Ų065 Ų650%032%0.316CS..  trans-91.7136.9179.470.9177000110.9I100 K101 L103 L115 F150 Q152 I153 L155 R158 V162I100-I160 HydrophobicContact CG2-CB 4.13Å; I100-I160 HydrophobicContact CG2-CD1 4.27Å; K101-I160 WeakPolarHBondContact O-CA 3.3Å; L103-I160 HydrophobicContact CD2-CG2 3.95Å; L115-I160 HydrophobicContact CD2-CD1 3.71Å; F150-I160 HydrophobicContact CB-CD1 4.49Å; F150-I160 WeakPolarHBondContact O-CG1 3.23Å; Q152-I160 WeakPolarHBondContact CA-O 3.25Å; Q152-I160 PolarHBondContact N-O 3.4Å; I153-I160 PolarHBondContact O-N 3.39Å; L155-I160 HydrophobicContact CB-CD1 4.49Å; L155-I160 HydrophobicContact CB-CG2 3.67Å; L155-I160 HydrophobicContact CD2-CG2 4.2Å; R158-I160 PolarHBondContact O-N 2.94Å; I160-V162 HydrophobicContact CD1-CG2 4.26Å; I160-V162 HydrophobicContact CG1-CG2 4.32Å
161S93Very high90.4Very high27 Ų2764.2 Ų64.219%0.18931%0.313CS..EExtended strand (participates in β ladder)trans-107.699.1179.4-163.10000110.4K101 H151K101-S161 PolarHBondContact N-O 2.8Å; K101-S161 PolarHBondContact O-N 3.22Å; H151-S161 PolarHBondContact CE1-OG 2.79Å
162V93.8Very high90.6Very high0 Ų061.2 Ų61.20%030%0.299CS..EExtended strand (participates in β ladder)trans-88.6125.4176.4-171.50000109.6I98 I100 I147 F150 H151 I160I98-V162 HydrophobicContact CB-CG1 4.37Å; I98-V162 HydrophobicContact CD1-CG1 3.84Å; I100-V162 HydrophobicContact CB-CG2 4.5Å; I100-V162 HydrophobicContact CG1-CG1 4.34Å; I100-V162 HydrophobicContact CG1-CG2 4.11Å; I100-V162 HydrophobicContact CG2-CG2 4.03Å; I147-V162 HydrophobicContact CG1-CG1 3.86Å; F150-V162 HydrophobicContact CB-CG2 3.75Å; H151-V162 HydrophobicContact CB-CB 4.47Å; H151-V162 PolarHBondContact ND1-O 2.7Å; I160-V162 HydrophobicContact CD1-CG2 4.26Å; I160-V162 HydrophobicContact CG1-CG2 4.32Å
163Q93.6Very high90.9Very high75 Ų7555.5 Ų55.535%0.3527%0.273SS..EExtended strand (participates in β ladder)trans-142.4157.3-177.4-65-178.1-31.600110.3I98 I99 Q165I98-Q163 CarbonylContact C-O 3.48Å; I98-Q163 VanDerWaalsContact CA-O 3.23Å; I98-Q163 WeakPolarHBondContact CA-O 3.46Å; I98-Q163 WeakPolarHBondContact CB-O 3.08Å; I99-Q163 HydrophobicContact CG2-CB 4.29Å; I99-Q163 PolarHBondContact N-O 2.7Å; I99-Q163 PolarHBondContact O-N 3.46Å; Q163-Q165 PolarHBondContact O-N 3.18Å
164L92.6Very high91.2Very high49 Ų4952.4 Ų52.426%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-59.3137.9167.6-70.7178.4000109.3R95 I98 A143 I147 P166R95-L164 HydrophobicContact CB-CD1 4.11Å; R95-L164 HydrophobicContact CB-CD2 4.08Å; R95-L164 WeakPolarHBondContact O-CD2 3.38Å; I98-L164 HydrophobicContact CG2-CD2 4.4Å; A143-L164 HydrophobicContact CB-CD2 4.25Å; I147-L164 HydrophobicContact CD1-CB 4.32Å; I147-L164 HydrophobicContact CD1-CD2 3.6Å; I147-L164 HydrophobicContact CD1-CG 3.55Å; L164-P166 WeakPolarHBondContact O-CD 3.27Å
165Q91.5Very high91.5Very high48 Ų4848 Ų4822%0.22424%0.235CC..PPolyproline II helixtrans-60.5127.1179.9-173.5177-0.600109.5R95 K97 Q163 T167R95-Q165 PolarHBondContact NH2-O 3.12Å; R95-Q165 VanDerWaalsContact NH2-O 3.1Å; K97-Q165 HydrophobicContact CB-CB 3.86Å; K97-Q165 PolarHBondContact O-N 2.93Å; Q163-Q165 PolarHBondContact O-N 3.18Å; Q165-T167 PolarHBondContact O-N 3.09Å
166P88.4Confident91.9Very high93 Ų9346.5 Ų46.560%0.60423%0.227SC*.PPolyproline II helixtrans-71.4126.817129.1-32.7000108.9L164L164-P166 WeakPolarHBondContact O-CD 3.27Å
167T88.4Confident92.4Very high31 Ų3141.7 Ų41.719%0.1921%0.213CC..  trans-124143.6-178.445.10000110.1Q165 E216 V247Q165-T167 PolarHBondContact O-N 3.09Å; T167-E216 WeakPolarHBondContact CB-OE1 3.44Å; T167-E216 WeakPolarHBondContact CG2-OE1 3.45Å; T167-E216 PolarHBondContact OG1-OE1 3.48Å; T167-V247 WeakPolarHBondContact OG1-CG2 3.39Å
168D89.4Confident92.5Very high87 Ų8734.3 Ų34.347%0.46518%0.177SC..SBendtrans-117.926.1-179.261.2-2000111.7K220 W244D168-K220 VanDerWaalsContact OD2-CD 3.31Å; D168-K220 WeakPolarHBondContact OD2-CD 3.18Å; D168-K220 WeakPolarHBondContact OD2-CE 3.31Å; D168-K220 IonicContact OD2-NZ 3.72Å; D168-K220 PolarHBondContact OD2-NZ 3.26Å; D168-W244 VanDerWaalsContact O-CZ3 3.3Å; D168-W244 WeakPolarHBondContact O-CZ3 3.3Å
169A94Very high92.5Very high5 Ų531.9 Ų31.94%0.04118%0.178CC..  trans-113.813.3-17700000113.4Y217 A223A169-Y217 WeakPolarHBondContact CB-O 3.42Å; A169-Y217 PolarHBondContact O-N 3.08Å; A169-Y217 VanDerWaalsContact O-N 3.1Å; A169-A223 HydrophobicContact CB-CB 4.24Å; A169-A223 WeakPolarHBondContact O-CB 3.28Å
170L94.8Very high92.4Very high1 Ų128.4 Ų28.41%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-91.2132.1175.2177.369.7000111.3F214 E216 T245 V247 L250L170-F214 HydrophobicContact CD1-CB 4.17Å; L170-F214 HydrophobicContact CD1-CD1 4.04Å; L170-F214 HydrophobicContact CD2-CD1 4.27Å; L170-F214 HydrophobicContact CG-CD1 4.33Å; L170-E216 HydrophobicContact CB-CB 4.47Å; L170-E216 HydrophobicContact CB-CG 4.38Å; L170-E216 HydrophobicContact CD1-CB 3.95Å; L170-T245 PolarHBondContact O-N 2.79Å; L170-T245 VanDerWaalsContact O-N 3.15Å; L170-V247 HydrophobicContact CB-CG2 3.66Å; L170-V247 HydrophobicContact CD2-CB 4.3Å; L170-V247 HydrophobicContact CD2-CG1 4.19Å; L170-V247 HydrophobicContact CD2-CG2 3.73Å; L170-V247 HydrophobicContact CG-CG2 4.31Å; L170-L250 HydrophobicContact CD2-CD1 3.45Å; L170-L250 VanDerWaalsContact CD2-CD1 3.45Å
171L96.3Very high92.3Very high0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-118.5147.5170.5-57.6174.3000110.8F214 V215 Y217 A223 A226 K227 V242 H243 W244L171-F214 WeakPolarHBondContact O-CA 3.4Å; L171-V215 HydrophobicContact CB-CG1 3.99Å; L171-V215 HydrophobicContact CD1-CG1 4.42Å; L171-V215 PolarHBondContact N-O 3.29Å; L171-V215 PolarHBondContact O-N 2.94Å; L171-Y217 HydrophobicContact CD1-CE2 4.12Å; L171-A223 HydrophobicContact CD1-CB 4.36Å; L171-A223 WeakPolarHBondContact CD1-O 3.4Å; L171-A223 HydrophobicContact CG-CB 4.28Å; L171-A226 HydrophobicContact CD1-CB 3.92Å; L171-K227 HydrophobicContact CD1-CB 4.1Å; L171-K227 HydrophobicContact CD2-CB 4.03Å; L171-K227 HydrophobicContact CD2-CD 4.29Å; L171-K227 HydrophobicContact CD2-CG 4.49Å; L171-V242 HydrophobicContact CB-CG1 4.13Å; L171-V242 HydrophobicContact CD1-CG1 3.95Å; L171-V242 HydrophobicContact CD2-CG1 4.21Å; L171-V242 HydrophobicContact CG-CG1 4.34Å; L171-H243 VanDerWaalsContact CA-O 3.29Å; L171-H243 WeakPolarHBondContact CA-O 3.31Å; L171-W244 HydrophobicContact CD2-CD2 3.76Å; L171-W244 HydrophobicContact CD2-CE3 3.35Å; L171-W244 HydrophobicContact CD2-CG 4.45Å; L171-W244 HydrophobicContact CD2-CH2 4.27Å; L171-W244 HydrophobicContact CD2-CZ3 3.65Å; L171-W244 HydrophobicContact CG-CE3 4.44Å; L171-W244 HydrophobicContact CG-CZ3 4.47Å
172C96.5Very high92.3Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-100.5130155.7-174.90000109.1G213 F214 V242 H243 A335C172-G213 WeakPolarHBondContact CA-O 3.24Å; C172-F214 HydrophobicContact CB-CD1 3.96Å; C172-F214 HydrophobicContact CB-CE1 3.71Å; C172-F214 HydrophobicContact CB-CZ 4.34Å; C172-V242 WeakPolarHBondContact O-CA 3.17Å; C172-H243 PolarHBondContact N-O 2.89Å; C172-H243 PolarHBondContact O-N 3.19Å; C172-A335 HydrophobicContact CB-CB 4.19Å
173I96.4Very high92.3Very high0 Ų037.6 Ų37.60%021%0.206CC..EExtended strand (participates in β ladder)trans-112121.4174.6-61.5164000107L176 F185 V189 Y212 G213 V215 L230 L240 Y241 V242I173-L176 HydrophobicContact CG2-CD1 4.43Å; I173-L176 HydrophobicContact CG2-CD2 4.15Å; I173-L176 HydrophobicContact CG2-CG 4.33Å; I173-F185 HydrophobicContact CB-CE2 3.98Å; I173-F185 HydrophobicContact CB-CZ 4.34Å; I173-F185 HydrophobicContact CD1-CE2 3.84Å; I173-F185 HydrophobicContact CD1-CZ 4.04Å; I173-F185 HydrophobicContact CG1-CE2 4.49Å; I173-F185 HydrophobicContact CG2-CE2 4.21Å; I173-V189 HydrophobicContact CD1-CG1 3.48Å; I173-V189 VanDerWaalsContact CD1-CG1 3.48Å; I173-Y212 CarbonylContact O-C 3.51Å; I173-Y212 WeakPolarHBondContact O-CA 3.37Å; I173-Y212 VanDerWaalsContact O-CB 3.31Å; I173-Y212 WeakPolarHBondContact O-CB 3.17Å; I173-G213 PolarHBondContact N-O 3.08Å; I173-G213 PolarHBondContact O-N 2.87Å; I173-V215 HydrophobicContact CD1-CG1 3.6Å; I173-V215 HydrophobicContact CG1-CG1 4.34Å; I173-L230 HydrophobicContact CD1-CD1 3.72Å; I173-L240 HydrophobicContact CG2-CD1 4.5Å; I173-Y241 CarbonylContact C-O 3.43Å; I173-Y241 WeakPolarHBondContact CA-O 3.33Å; I173-V242 HydrophobicContact CB-CG2 4.43Å; I173-V242 HydrophobicContact CG1-CG1 4.04Å; I173-V242 HydrophobicContact CG1-CG2 3.98Å; I173-V242 HydrophobicContact CG2-CG2 4.26Å
174A96Very high92.4Very high2 Ų237.9 Ų37.92%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-130.1171.5-173.400000112.5L176 G211 Y241 A335A174-L176 VanDerWaalsContact C-N 3.29Å; A174-G211 CarbonylContact C-O 3.5Å; A174-Y241 HydrophobicContact CB-CD1 4.44Å; A174-Y241 PolarHBondContact N-O 3.35Å; A174-Y241 PolarHBondContact O-N 2.86Å; A174-A335 HydrophobicContact CB-CB 4.07Å
175N94Very high92.5Very high35 Ų3535.5 Ų35.519%0.18720%0.195CC..SBendtrans61.233.6-168.7-161.322.5000113.6G211 R238 M239N175-G211 PolarHBondContact N-O 3.37Å; N175-R238 WeakPolarHBondContact O-CB 3.44Å; N175-M239 PolarHBondContact ND2-N 2.66Å; N175-M239 PolarHBondContact ND2-O 2.75Å
176L94.4Very high92.7Very high0 Ų036.1 Ų36.10%020%0.198CC..  trans-70155.2166.6-63162.9000109.9I173 A174 F180 F185 L188 L200 G211 L235 R238 L240I173-L176 HydrophobicContact CG2-CD1 4.43Å; I173-L176 HydrophobicContact CG2-CD2 4.15Å; I173-L176 HydrophobicContact CG2-CG 4.33Å; A174-L176 VanDerWaalsContact C-N 3.29Å; L176-F180 HydrophobicContact CD1-CD1 4.49Å; L176-F180 HydrophobicContact CD2-CD1 3.9Å; L176-F180 HydrophobicContact CD2-CE1 3.95Å; L176-F185 HydrophobicContact CD1-CD2 3.75Å; L176-F185 HydrophobicContact CD1-CE2 3.84Å; L176-F185 HydrophobicContact CD2-CD2 4.45Å; L176-L188 HydrophobicContact CD2-CD2 4.18Å; L176-L200 HydrophobicContact CD1-CD2 3.64Å; L176-G211 WeakPolarHBondContact CB-O 3.5Å; L176-G211 PolarHBondContact N-O 3.3Å; L176-L235 HydrophobicContact CD2-CD2 4.11Å; L176-R238 PolarHBondContact O-NH1 2.78Å; L176-L240 HydrophobicContact CD2-CD1 4.39Å; L176-L240 HydrophobicContact CD2-CD2 3.67Å; L176-L240 HydrophobicContact CG-CD2 4.28Å
177P91.8Very high93Very high29 Ų2937 Ų3719%0.18819%0.193CC..  trans-59.1148.3164.6-21.933.5000111.6A179 F180 L235P177-A179 VanDerWaalsContact C-N 3.33Å; P177-F180 HydrophobicContact CB-CB 4.35Å; P177-F180 VanDerWaalsContact O-CB 3.24Å; P177-F180 WeakPolarHBondContact O-CB 3.49Å; P177-F180 PolarHBondContact O-N 2.88Å; P177-L235 HydrophobicContact CG-CD2 4.31Å; P177-L235 HydrophobicContact CG-CG 4.44Å
178R85.9Confident93.3Very high36 Ų3636.8 Ų36.814%0.13619%0.191CC..THydrogen-bonded Turntrans-70.2-31176.4-70-172.1-66.2-112.24.7112.9D70 L73 F180 D320D70-R178 PolarHBondContact O-NH2 2.87Å; L73-R178 HydrophobicContact CD2-CB 4.32Å; R178-F180 PolarHBondContact O-N 3.41Å; R178-D320 IonicContact CZ-OD2 2.63Å; R178-D320 IonicContact NH1-OD1 3.05Å; R178-D320 IonicContact NH1-OD2 2.59Å; R178-D320 PolarHBondContact NH1-OD2 3Å; R178-D320 IonicContact NH2-OD2 3.48Å; R178-D320 PolarHBondContact NH2-OD2 3.25Å
179A87.2Confident93.6Very high49 Ų4932.6 Ų32.641%0.40517%0.169SC..THydrogen-bonded Turntrans-59.9-19.717200000114.1E71 P177 T181E71-A179 WeakPolarHBondContact OE2-CB 3.49Å; P177-A179 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.81Å
180F89.1Confident93.7Very high30 Ų3040 Ų4013%0.13220%0.196CC..  trans-70.7121.7-166.4-153-122.5000111.3L176 P177 R178 Q184 F185 L188 L200 L235L176-F180 HydrophobicContact CD1-CD1 4.49Å; L176-F180 HydrophobicContact CD2-CD1 3.9Å; L176-F180 HydrophobicContact CD2-CE1 3.95Å; P177-F180 HydrophobicContact CB-CB 4.35Å; P177-F180 VanDerWaalsContact O-CB 3.24Å; P177-F180 WeakPolarHBondContact O-CB 3.49Å; P177-F180 PolarHBondContact O-N 2.88Å; R178-F180 PolarHBondContact O-N 3.41Å; F180-Q184 HydrophobicContact CD1-CB 4.43Å; F180-Q184 HydrophobicContact CD2-CB 3.92Å; F180-Q184 HydrophobicContact CE1-CB 4.17Å; F180-Q184 HydrophobicContact CE2-CB 3.61Å; F180-Q184 HydrophobicContact CE2-CG 4.44Å; F180-Q184 HydrophobicContact CG-CB 4.32Å; F180-Q184 HydrophobicContact CZ-CB 3.74Å; F180-Q184 WeakPolarHBondContact CZ-O 3.4Å; F180-F185 HydrophobicContact CD1-CB 4.16Å; F180-F185 HydrophobicContact CE1-CB 4.07Å; F180-F185 HydrophobicContact CE1-CD2 4.37Å; F180-L188 HydrophobicContact CE1-CB 4.42Å; F180-L188 HydrophobicContact CE1-CD2 3.85Å; F180-L188 HydrophobicContact CZ-CB 4.25Å; F180-L188 HydrophobicContact CZ-CD2 3.98Å; F180-L200 VanDerWaalsContact O-CD1 3.26Å; F180-L200 WeakPolarHBondContact O-CD1 3.47Å; F180-L235 HydrophobicContact CD2-CD2 4.45Å; F180-L235 HydrophobicContact CE1-CD2 4.36Å; F180-L235 HydrophobicContact CE2-CD2 4.04Å; F180-L235 HydrophobicContact CZ-CD2 3.99Å
181T92.3Very high93.8Very high64 Ų6444.8 Ų44.839%0.39323%0.227SC..  trans-83161.3-17477.50000112.1A179 Q183 Q184 F185A179-T181 PolarHBondContact O-N 2.81Å; T181-Q183 PolarHBondContact O-N 2.92Å; T181-Q184 PolarHBondContact O-N 2.99Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.5Å; T181-Q184 PolarHBondContact OG1-N 3.44Å; T181-F185 WeakPolarHBondContact O-CB 3.36Å; T181-F185 PolarHBondContact O-N 2.99Å
182Q92.6Very high93.8Very high26 Ų2645.6 Ų45.612%0.12123%0.23CC..Hα-helixtrans-56.8-38.5174.7172.859.833.700112.2F185 E186 C198Q182-F185 PolarHBondContact O-N 2.86Å; Q182-E186 PolarHBondContact O-N 3.2Å; Q182-C198 PolarHBondContact NE2-O 3.14Å
183Q93.9Very high93.7Very high129 Ų12946.3 Ų46.360%0.60324%0.238SC*.Hα-helixtrans-67-47.5178-179.9-177.4-21.500111.1T181 F185 E186 E187T181-Q183 PolarHBondContact O-N 2.92Å; Q183-F185 PolarHBondContact O-N 2.86Å; Q183-E186 PolarHBondContact O-N 3.34Å; Q183-E186 VanDerWaalsContact O-N 3.1Å; Q183-E187 HydrophobicContact CG-CG 4.43Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.31Å; Q183-E187 PolarHBondContact NE2-OE1 3.47Å; Q183-E187 WeakPolarHBondContact O-CB 3.29Å; Q183-E187 WeakPolarHBondContact O-CG 3.31Å; Q183-E187 PolarHBondContact O-N 3.48Å
184Q94.6Very high93.6Very high81 Ų8151.8 Ų51.838%0.37927%0.267SS..Hα-helixtrans-61.4-33.8176.4-68.3167.2-14.600111.9F180 T181 L188F180-Q184 HydrophobicContact CD1-CB 4.43Å; F180-Q184 HydrophobicContact CD2-CB 3.92Å; F180-Q184 HydrophobicContact CE1-CB 4.17Å; F180-Q184 HydrophobicContact CE2-CB 3.61Å; F180-Q184 HydrophobicContact CE2-CG 4.44Å; F180-Q184 HydrophobicContact CG-CB 4.32Å; F180-Q184 HydrophobicContact CZ-CB 3.74Å; F180-Q184 WeakPolarHBondContact CZ-O 3.4Å; T181-Q184 PolarHBondContact O-N 2.99Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.5Å; T181-Q184 PolarHBondContact OG1-N 3.44Å; Q184-L188 VanDerWaalsContact O-CB 3.31Å; Q184-L188 WeakPolarHBondContact O-CB 3.3Å; Q184-L188 PolarHBondContact O-N 3.37Å
185F95.4Very high93.5Very high0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-66.9-42.3172.9-177.2-116.5000112.5I173 L176 F180 T181 Q182 Q183 L188 V189 L200I173-F185 HydrophobicContact CB-CE2 3.98Å; I173-F185 HydrophobicContact CB-CZ 4.34Å; I173-F185 HydrophobicContact CD1-CE2 3.84Å; I173-F185 HydrophobicContact CD1-CZ 4.04Å; I173-F185 HydrophobicContact CG1-CE2 4.49Å; I173-F185 HydrophobicContact CG2-CE2 4.21Å; L176-F185 HydrophobicContact CD1-CD2 3.75Å; L176-F185 HydrophobicContact CD1-CE2 3.84Å; L176-F185 HydrophobicContact CD2-CD2 4.45Å; F180-F185 HydrophobicContact CD1-CB 4.16Å; F180-F185 HydrophobicContact CE1-CB 4.07Å; F180-F185 HydrophobicContact CE1-CD2 4.37Å; T181-F185 WeakPolarHBondContact O-CB 3.36Å; T181-F185 PolarHBondContact O-N 2.99Å; Q182-F185 PolarHBondContact O-N 2.86Å; Q183-F185 PolarHBondContact O-N 2.86Å; F185-L188 PolarHBondContact O-N 3.17Å; F185-V189 HydrophobicContact CE2-CG1 4.16Å; F185-V189 HydrophobicContact CZ-CG1 4.44Å; F185-V189 WeakPolarHBondContact O-CG1 3.46Å; F185-V189 WeakPolarHBondContact O-CG2 3.34Å; F185-V189 PolarHBondContact O-N 2.87Å; F185-L200 HydrophobicContact CB-CD1 4.2Å; F185-L200 HydrophobicContact CB-CD2 3.87Å; F185-L200 HydrophobicContact CB-CG 3.96Å; F185-L200 HydrophobicContact CD1-CD2 3.8Å; F185-L200 HydrophobicContact CD1-CG 3.97Å; F185-L200 HydrophobicContact CD2-CD2 3.87Å; F185-L200 HydrophobicContact CE1-CD2 4.32Å; F185-L200 HydrophobicContact CE2-CD2 4.39Å; F185-L200 HydrophobicContact CG-CD2 3.56Å; F185-L200 HydrophobicContact CG-CG 3.99Å
186E95.4Very high93.4Very high61 Ų6153.4 Ų53.429%0.28527%0.274SS..Hα-helixtrans-64.5-46.9174-158.1-165.8134.400111.6Q182 Q183 L188 V189 R190 L195Q182-E186 PolarHBondContact O-N 3.2Å; Q183-E186 PolarHBondContact O-N 3.34Å; Q183-E186 VanDerWaalsContact O-N 3.1Å; E186-L188 PolarHBondContact O-N 3.3Å; E186-V189 WeakPolarHBondContact O-CG2 3.44Å; E186-V189 PolarHBondContact O-N 2.73Å; E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 IonicContact OE1-CZ 2.8Å; E186-R190 IonicContact OE1-NH1 3.15Å; E186-R190 PolarHBondContact OE1-NH1 2.85Å; E186-L195 HydrophobicContact CG-CD1 3.7Å
187E95.5Very high93.4Very high110 Ų11053.6 Ų53.651%0.51428%0.275SS..Hα-helixtrans-58.3-34.6177.3-72.6169.9-177.100112.7Q183 P191Q183-E187 HydrophobicContact CG-CG 4.43Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.31Å; Q183-E187 PolarHBondContact NE2-OE1 3.47Å; Q183-E187 WeakPolarHBondContact O-CB 3.29Å; Q183-E187 WeakPolarHBondContact O-CG 3.31Å; Q183-E187 PolarHBondContact O-N 3.48Å; E187-P191 VanDerWaalsContact O-CD 3.25Å; E187-P191 WeakPolarHBondContact O-CD 3.39Å
188L94.5Very high93.5Very high27 Ų2752.5 Ų52.514%0.14127%0.268CS..Hα-helixtrans-67.8-30.4175.6177.963.3000113.4L176 F180 Q184 F185 E186 F192 L230 L235 L240L176-L188 HydrophobicContact CD2-CD2 4.18Å; F180-L188 HydrophobicContact CE1-CB 4.42Å; F180-L188 HydrophobicContact CE1-CD2 3.85Å; F180-L188 HydrophobicContact CZ-CB 4.25Å; F180-L188 HydrophobicContact CZ-CD2 3.98Å; Q184-L188 VanDerWaalsContact O-CB 3.31Å; Q184-L188 WeakPolarHBondContact O-CB 3.3Å; Q184-L188 PolarHBondContact O-N 3.37Å; F185-L188 PolarHBondContact O-N 3.17Å; E186-L188 PolarHBondContact O-N 3.3Å; L188-F192 WeakPolarHBondContact O-CE2 3.4Å; L188-L230 HydrophobicContact CD1-CD2 3.87Å; L188-L230 HydrophobicContact CG-CD2 4.13Å; L188-L235 HydrophobicContact CD2-CD2 4.4Å; L188-L240 HydrophobicContact CD2-CD1 4.03Å
189V96.2Very high94Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-108.6-28.7-170.5-55.90000113.9I173 F185 E186 P191 F192 L195 V215 Y217 L230I173-V189 HydrophobicContact CD1-CG1 3.48Å; I173-V189 VanDerWaalsContact CD1-CG1 3.48Å; F185-V189 HydrophobicContact CE2-CG1 4.16Å; F185-V189 HydrophobicContact CZ-CG1 4.44Å; F185-V189 WeakPolarHBondContact O-CG1 3.46Å; F185-V189 WeakPolarHBondContact O-CG2 3.34Å; F185-V189 PolarHBondContact O-N 2.87Å; E186-V189 WeakPolarHBondContact O-CG2 3.44Å; E186-V189 PolarHBondContact O-N 2.73Å; V189-P191 VanDerWaalsContact C-N 3.33Å; V189-F192 VanDerWaalsContact O-CD2 3.27Å; V189-F192 WeakPolarHBondContact O-CD2 3.44Å; V189-F192 PolarHBondContact O-N 3.37Å; V189-F192 VanDerWaalsContact O-N 3.16Å; V189-L195 HydrophobicContact CG2-CD1 3.82Å; V189-L195 HydrophobicContact CG2-CD2 4.23Å; V189-V215 HydrophobicContact CB-CG2 4.12Å; V189-V215 HydrophobicContact CG1-CG1 4.38Å; V189-V215 HydrophobicContact CG2-CB 4.33Å; V189-V215 HydrophobicContact CG2-CG2 3.74Å; V189-Y217 WeakPolarHBondContact CB-OH 3.36Å; V189-Y217 PolarHBondContact O-OH 3.45Å; V189-Y217 VanDerWaalsContact O-OH 3.13Å; V189-L230 HydrophobicContact CG1-CD1 4.05Å
190R95.7Very high94.4Very high160 Ų16048.6 Ų48.660%0.60424%0.243SC*.G310 helixtrans-54.4-32.3179.2-171.9169.1177.8128.5-2.8115.2E186 F192 G193 L195E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 IonicContact OE1-CZ 2.8Å; E186-R190 IonicContact OE1-NH1 3.15Å; E186-R190 PolarHBondContact OE1-NH1 2.85Å; R190-F192 PolarHBondContact O-N 3.05Å; R190-G193 PolarHBondContact O-N 2.92Å; R190-L195 HydrophobicContact CB-CD1 4.45Å
191P96.5Very high94.7Very high101 Ų10147.3 Ų47.366%0.65624%0.237SC*.G310 helixtrans-60.8-23.9176.3-27.336.9000115.1E187 V189 G193E187-P191 VanDerWaalsContact O-CD 3.25Å; E187-P191 WeakPolarHBondContact O-CD 3.39Å; V189-P191 VanDerWaalsContact C-N 3.33Å; P191-G193 VanDerWaalsContact C-N 3.34Å
192F95.8Very high94.8Very high17 Ų1745 Ų458%0.07522%0.222CC..G310 helixtrans-81-13.9-176.9-55.8-65.4000113.9L188 V189 R190 Y217 S222 R225 A226 E229 L230L188-F192 WeakPolarHBondContact O-CE2 3.4Å; V189-F192 VanDerWaalsContact O-CD2 3.27Å; V189-F192 WeakPolarHBondContact O-CD2 3.44Å; V189-F192 PolarHBondContact O-N 3.37Å; V189-F192 VanDerWaalsContact O-N 3.16Å; R190-F192 PolarHBondContact O-N 3.05Å; F192-Y217 HydrophobicContact CB-CE1 3.85Å; F192-S222 VanDerWaalsContact O-CB 3.23Å; F192-S222 WeakPolarHBondContact O-CB 3.06Å; F192-S222 PolarHBondContact O-OG 3.05Å; F192-R225 PolarHBondContact O-NH2 3.44Å; F192-A226 HydrophobicContact CB-CB 3.69Å; F192-A226 HydrophobicContact CD1-CB 4.37Å; F192-A226 HydrophobicContact CD2-CB 3.63Å; F192-A226 HydrophobicContact CE2-CB 4.45Å; F192-A226 HydrophobicContact CG-CB 3.61Å; F192-E229 HydrophobicContact CE1-CB 3.99Å; F192-E229 HydrophobicContact CE1-CG 4.43Å; F192-E229 WeakPolarHBondContact CE1-OE2 3.47Å; F192-E229 HydrophobicContact CZ-CB 4.18Å; F192-E229 HydrophobicContact CZ-CG 4.47Å; F192-L230 HydrophobicContact CD2-CD1 4.18Å; F192-L230 HydrophobicContact CD2-CG 4.47Å; F192-L230 HydrophobicContact CE2-CD1 3.68Å; F192-L230 HydrophobicContact CE2-CD2 3.76Å; F192-L230 HydrophobicContact CE2-CG 3.62Å; F192-L230 HydrophobicContact CZ-CD2 3.97Å; F192-L230 HydrophobicContact CZ-CG 3.97Å
193G94.1Very high94.8Very high16 Ų1644 Ų4417%0.16522%0.218CC..SBendtrans148.6174175.300000112.6R190 P191 L195R190-G193 PolarHBondContact O-N 2.92Å; P191-G193 VanDerWaalsContact C-N 3.34Å; G193-L195 WeakPolarHBondContact O-CD2 3.4Å
194N94.8Very high94.5Very high115 Ų11540.7 Ų40.762%0.61521%0.213SC*.  trans-60.4137179.7-63.616.2000111.8Y217 M218N194-Y217 WeakPolarHBondContact O-CA 3.29Å; N194-M218 HydrophobicContact CB-CB 4.35Å; N194-M218 HydrophobicContact CB-CG 3.52Å; N194-M218 HydrophobicContact CB-SD 3.41Å; N194-M218 WeakPolarHBondContact CB-SD 3.14Å; N194-M218 PolarHBondContact O-N 2.88Å
195L94.5Very high94.1Very high41 Ų4140.2 Ų40.222%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-95.1144.5-179.7-44.5-178000110.1E186 V189 R190 G193 C198 V215 E216 Y217E186-L195 HydrophobicContact CG-CD1 3.7Å; V189-L195 HydrophobicContact CG2-CD1 3.82Å; V189-L195 HydrophobicContact CG2-CD2 4.23Å; R190-L195 HydrophobicContact CB-CD1 4.45Å; G193-L195 WeakPolarHBondContact O-CD2 3.4Å; L195-C198 HydrophobicContact CD1-CB 3.82Å; L195-V215 HydrophobicContact CD2-CG2 3.64Å; L195-E216 CarbonylContact C-O 3.59Å; L195-E216 WeakPolarHBondContact CA-O 3.38Å; L195-Y217 HydrophobicContact CD2-CD1 3.67Å; L195-Y217 HydrophobicContact CD2-CE1 3.43Å; L195-Y217 VanDerWaalsContact CD2-CE1 3.43Å; L195-Y217 HydrophobicContact CD2-CG 4.46Å
196E92.3Very high93.7Very high29 Ų2941.3 Ų41.314%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-99-37167.9-65.8-81166.500111.1K97 E216 M218K97-E196 VanDerWaalsContact CE-CD 3.44Å; K97-E196 WeakPolarHBondContact CE-OE1 3.42Å; K97-E196 VanDerWaalsContact CE-OE2 3.23Å; K97-E196 WeakPolarHBondContact CE-OE2 3.42Å; K97-E196 IonicContact NZ-OE1 3.77Å; K97-E196 PolarHBondContact NZ-OE1 2.97Å; K97-E196 IonicContact NZ-OE2 2.66Å; K97-E196 PolarHBondContact NZ-OE2 3.28Å; E196-E216 HydrophobicContact CB-CB 4.47Å; E196-E216 HydrophobicContact CB-CG 4.39Å; E196-E216 PolarHBondContact N-O 3.37Å; E196-M218 HydrophobicContact CG-CB 4.46Å; E196-M218 HydrophobicContact CG-CG 4.04Å; E196-M218 VanDerWaalsContact OE1-CE 3.26Å; E196-M218 WeakPolarHBondContact OE1-CE 3.34Å; E196-M218 VanDerWaalsContact OE1-CG 3.28Å; E196-M218 WeakPolarHBondContact OE1-CG 3.31Å
197R92.7Very high93.3Very high4 Ų438.4 Ų38.42%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-147.5138.2177.2-57.8-175.4-61.1131.311.8109.4E91 F92 N94 F199 E216 V247E91-R197 WeakPolarHBondContact O-CD 3.48Å; E91-R197 WeakPolarHBondContact OE2-CA 3.4Å; F92-R197 PolarHBondContact O-NH1 2.98Å; N94-R197 HydrophobicContact CB-CG 4.38Å; R197-F199 HydrophobicContact CB-CE1 4.45Å; R197-E216 HydrophobicContact CB-CB 4.31Å; R197-E216 IonicContact CZ-OE2 3.32Å; R197-E216 IonicContact NE-OE2 2.69Å; R197-E216 PolarHBondContact NE-OE2 2.87Å; R197-E216 IonicContact NH2-OE2 2.73Å; R197-E216 PolarHBondContact NH2-OE2 2.99Å; R197-E216 PolarHBondContact O-N 3.28Å; R197-V247 VanDerWaalsContact NH2-CG1 3.31Å
198C95.4Very high93.1Very high6 Ų634.8 Ų34.84%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-148.7114.2178.1-173.80000111.4E91 Q182 L195 F214E91-C198 PolarHBondContact OE2-N 3.01Å; Q182-C198 PolarHBondContact NE2-O 3.14Å; L195-C198 HydrophobicContact CD1-CB 3.82Å; C198-F214 WeakPolarHBondContact CA-O 3.41Å
199F95.6Very high93Very high3 Ų333.9 Ų33.91%0.01319%0.19CC..EExtended strand (participates in β ladder)trans-151.8137.8-176.956.9-86.2000113.5T88 E91 F92 R197 V201 G213 F214 L255T88-F199 HydrophobicContact CG2-CB 4.35Å; T88-F199 HydrophobicContact CG2-CD2 3.75Å; T88-F199 HydrophobicContact CG2-CE2 4.49Å; T88-F199 HydrophobicContact CG2-CG 4.36Å; E91-F199 HydrophobicContact CB-CB 3.89Å; E91-F199 HydrophobicContact CB-CD1 3.82Å; E91-F199 HydrophobicContact CB-CG 4.15Å; E91-F199 HydrophobicContact CG-CB 4.49Å; F92-F199 HydrophobicContact CB-CE1 4.32Å; F92-F199 HydrophobicContact CB-CE2 4.45Å; F92-F199 HydrophobicContact CB-CZ 4.1Å; F92-F199 HydrophobicContact CD2-CE2 4.44Å; F92-F199 AromaticContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CG-CZ 4.49Å; R197-F199 HydrophobicContact CB-CE1 4.45Å; F199-V201 HydrophobicContact CD2-CG2 4.5Å; F199-V201 HydrophobicContact CE2-CG2 4.46Å; F199-G213 CarbonylContact O-C 3.59Å; F199-G213 WeakPolarHBondContact O-CA 3.46Å; F199-F214 HydrophobicContact CD1-CB 4.38Å; F199-F214 HydrophobicContact CD2-CB 4.27Å; F199-F214 HydrophobicContact CD2-CD2 4.3Å; F199-F214 HydrophobicContact CE1-CB 3.87Å; F199-F214 HydrophobicContact CE2-CB 3.77Å; F199-F214 AromaticContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CE2 4.43Å; F199-F214 AromaticContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CZ-CB 3.52Å; F199-F214 AromaticContact CZ-CD2 3.89Å; F199-F214 HydrophobicContact CZ-CD2 3.89Å; F199-F214 AromaticContact CZ-CG 3.92Å; F199-F214 HydrophobicContact CZ-CG 3.92Å; F199-F214 PolarHBondContact N-O 3.46Å; F199-F214 PolarHBondContact O-N 3.07Å; F199-L255 HydrophobicContact CE2-CD1 4.28Å; F199-L255 HydrophobicContact CE2-CD2 4.06Å; F199-L255 HydrophobicContact CZ-CD2 4.32Å
200L95.8Very high92.9Very high0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-73.5155.5162.5-68.2176.3000110.9T88 L176 F180 F185 Y202T88-L200 VanDerWaalsContact CG2-O 3.3Å; T88-L200 WeakPolarHBondContact CG2-O 3.2Å; T88-L200 PolarHBondContact OG1-O 2.99Å; L176-L200 HydrophobicContact CD1-CD2 3.64Å; F180-L200 VanDerWaalsContact O-CD1 3.26Å; F180-L200 WeakPolarHBondContact O-CD1 3.47Å; F185-L200 HydrophobicContact CB-CD1 4.2Å; F185-L200 HydrophobicContact CB-CD2 3.87Å; F185-L200 HydrophobicContact CB-CG 3.96Å; F185-L200 HydrophobicContact CD1-CD2 3.8Å; F185-L200 HydrophobicContact CD1-CG 3.97Å; F185-L200 HydrophobicContact CD2-CD2 3.87Å; F185-L200 HydrophobicContact CE1-CD2 4.32Å; F185-L200 HydrophobicContact CE2-CD2 4.39Å; F185-L200 HydrophobicContact CG-CD2 3.56Å; F185-L200 HydrophobicContact CG-CG 3.99Å; L200-Y202 HydrophobicContact CB-CE2 3.98Å
201V95.1Very high92.8Very high3 Ų326.8 Ų26.82%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-102.6123.6172.6-1790000109.8F199 K210 Y212 F214 L255F199-V201 HydrophobicContact CD2-CG2 4.5Å; F199-V201 HydrophobicContact CE2-CG2 4.46Å; V201-K210 HydrophobicContact CG1-CD 4.29Å; V201-K210 WeakPolarHBondContact O-CB 3.49Å; V201-K210 PolarHBondContact O-N 2.88Å; V201-Y212 HydrophobicContact CB-CD2 3.99Å; V201-Y212 HydrophobicContact CB-CE2 3.57Å; V201-Y212 HydrophobicContact CG1-CE2 3.85Å; V201-Y212 HydrophobicContact CG2-CD2 3.94Å; V201-Y212 HydrophobicContact CG2-CE2 3.65Å; V201-Y212 PolarHBondContact N-O 2.93Å; V201-F214 HydrophobicContact CG2-CD2 3.87Å; V201-F214 HydrophobicContact CG2-CE2 3.89Å; V201-L255 HydrophobicContact CG1-CB 4.48Å; V201-L255 HydrophobicContact CG2-CB 4.44Å
202Y93.9Very high92.8Very high15 Ų1522 Ų226%0.05913%0.133CC..EExtended strand (participates in β ladder)trans-100.3160.6-179.3-59.9-83000112.3R84 T88 L200 G207 H208 K210 H256R84-Y202 HydrophobicContact CB-CD1 4.49Å; R84-Y202 HydrophobicContact CB-CD2 4.1Å; R84-Y202 HydrophobicContact CB-CE2 4.19Å; R84-Y202 HydrophobicContact CB-CG 4.25Å; T88-Y202 VanDerWaalsContact OG1-CD2 3.28Å; T88-Y202 WeakPolarHBondContact OG1-CD2 3.5Å; T88-Y202 WeakPolarHBondContact OG1-CE2 3.32Å; L200-Y202 HydrophobicContact CB-CE2 3.98Å; Y202-G207 VanDerWaalsContact CD1-O 3.23Å; Y202-G207 WeakPolarHBondContact CD1-O 3.37Å; Y202-H208 CarbonylContact C-O 3.52Å; Y202-H208 VanDerWaalsContact CA-O 3.31Å; Y202-H208 WeakPolarHBondContact CA-O 3.45Å; Y202-K210 WeakPolarHBondContact O-CE 3.24Å; Y202-H256 PolarHBondContact O-CE1 3.38Å
203S92.4Very high92.8Very high7 Ų721.1 Ų21.15%0.04913%0.13CC..PPolyproline II helixtrans-71.3131.4163.6158.60000110S205 T206 G207 H208 E313S203-S205 VanDerWaalsContact C-N 3.26Å; S203-S205 PolarHBondContact O-N 3.13Å; S203-S205 PolarHBondContact OG-N 2.75Å; S203-S205 PolarHBondContact OG-OG 2.9Å; S203-S205 VanDerWaalsContact OG-OG 3.11Å; S203-T206 WeakPolarHBondContact CB-OG1 3.36Å; S203-T206 PolarHBondContact OG-N 3.47Å; S203-T206 PolarHBondContact OG-OG1 2.78Å; S203-G207 WeakPolarHBondContact O-CA 3.15Å; S203-G207 PolarHBondContact O-N 3.48Å; S203-H208 PolarHBondContact N-O 3.49Å; S203-E313 WeakPolarHBondContact CB-OE1 3.37Å; S203-E313 PolarHBondContact OG-OE1 3.29Å
204A88.4Confident92.9Very high59 Ų5920.4 Ų20.449%0.48812%0.122SC..THydrogen-bonded Turntrans-69.8-26.1174.400000112.2
205S85.9Confident92.9Very high71 Ų7114.9 Ų14.950%0.4979%0.093SC..THydrogen-bonded Turntrans-88.9-15.3-177.969.60000114.6S203 E313S203-S205 VanDerWaalsContact C-N 3.26Å; S203-S205 PolarHBondContact O-N 3.13Å; S203-S205 PolarHBondContact OG-N 2.75Å; S203-S205 PolarHBondContact OG-OG 2.9Å; S203-S205 VanDerWaalsContact OG-OG 3.11Å; S205-E313 PolarHBondContact OG-OE1 2.87Å
206T86.7Confident93Very high22 Ų2213.5 Ų13.514%0.1359%0.085CC..THydrogen-bonded Turntrans-140.8-11.4-174.362.80000115.7L76 S203 H208L76-T206 WeakPolarHBondContact CD1-O 3.47Å; S203-T206 WeakPolarHBondContact CB-OG1 3.36Å; S203-T206 PolarHBondContact OG-N 3.47Å; S203-T206 PolarHBondContact OG-OG1 2.78Å; T206-H208 VanDerWaalsContact CB-CD2 3.44Å; T206-H208 WeakPolarHBondContact CB-CD2 3.39Å; T206-H208 PolarHBondContact O-N 2.82Å; T206-H208 PolarHBondContact OG1-CD2 2.85Å
207G87.4Confident93.1Very high0 Ų012.2 Ų12.20%08%0.079CC..  trans62.77.4-175.700000115.8L76 R84 Y202 S203L76-G207 WeakPolarHBondContact CD1-O 3.48Å; R84-G207 WeakPolarHBondContact CD-O 3.2Å; R84-G207 PolarHBondContact NH1-O 3.38Å; R84-G207 VanDerWaalsContact NH1-O 3.17Å; Y202-G207 VanDerWaalsContact CD1-O 3.23Å; Y202-G207 WeakPolarHBondContact CD1-O 3.37Å; S203-G207 WeakPolarHBondContact O-CA 3.15Å; S203-G207 PolarHBondContact O-N 3.48Å
208H90.5Very high93.1Very high35 Ų3516.4 Ų16.416%0.16210%0.1CC..  trans-77149.4172.3-59.1-44.8000111.3L73 I74 Y202 S203 T206 K210L73-H208 HydrophobicContact CD1-CB 4.18Å; I74-H208 PolarHBondContact O-CE1 3.48Å; Y202-H208 CarbonylContact C-O 3.52Å; Y202-H208 VanDerWaalsContact CA-O 3.31Å; Y202-H208 WeakPolarHBondContact CA-O 3.45Å; S203-H208 PolarHBondContact N-O 3.49Å; T206-H208 VanDerWaalsContact CB-CD2 3.44Å; T206-H208 WeakPolarHBondContact CB-CD2 3.39Å; T206-H208 PolarHBondContact O-N 2.82Å; T206-H208 PolarHBondContact OG1-CD2 2.85Å; H208-K210 PolarHBondContact O-N 3.3Å
209S93.8Very high93Very high8 Ų822.7 Ų22.76%0.05613%0.126CC..EExtended strand (participates in β ladder)trans-66.1130.7176.4176.40000110.3G211S209-G211 PolarHBondContact O-N 2.87Å; S209-G211 VanDerWaalsContact O-N 3.17Å; S209-G211 PolarHBondContact OG-N 3.09Å
210K93.4Very high92.9Very high7 Ų727.3 Ų27.33%0.0315%0.146CC..EExtended strand (participates in β ladder)trans-73.95.4172-62.2-168.2177.8-174.30112.8V201 Y202 H208 Y212 H256 E313 F333V201-K210 HydrophobicContact CG1-CD 4.29Å; V201-K210 WeakPolarHBondContact O-CB 3.49Å; V201-K210 PolarHBondContact O-N 2.88Å; Y202-K210 WeakPolarHBondContact O-CE 3.24Å; H208-K210 PolarHBondContact O-N 3.3Å; K210-Y212 VanDerWaalsContact C-N 3.33Å; K210-Y212 HydrophobicContact CB-CD1 3.89Å; K210-Y212 HydrophobicContact CB-CE1 3.37Å; K210-Y212 HydrophobicContact CD-CE1 4.21Å; K210-Y212 HydrophobicContact CG-CE1 4.4Å; K210-Y212 WeakPolarHBondContact O-CD1 3.26Å; K210-H256 PolarHBondContact NZ-ND1 3.5Å; K210-E313 WeakPolarHBondContact CE-OE2 3.27Å; K210-E313 IonicContact NZ-OE2 3.18Å; K210-E313 PolarHBondContact NZ-OE2 3.36Å; K210-F333 HydrophobicContact CB-CD2 3.69Å; K210-F333 HydrophobicContact CB-CE2 3.96Å; K210-F333 HydrophobicContact CB-CG 4.17Å; K210-F333 HydrophobicContact CD-CE1 4.33Å; K210-F333 HydrophobicContact CD-CE2 4.33Å; K210-F333 HydrophobicContact CD-CZ 4.21Å; K210-F333 HydrophobicContact CG-CD2 4.23Å; K210-F333 HydrophobicContact CG-CE2 4Å; K210-F333 HydrophobicContact CG-CZ 4.33Å; K210-F333 VanDerWaalsContact O-CD2 3.26Å; K210-F333 WeakPolarHBondContact O-CD2 3.49Å
211G93.4Very high92.9Very high3 Ų332.9 Ų32.93%0.03118%0.176CC..EExtended strand (participates in β ladder)trans75.420178.800000113.9A174 N175 L176 S209A174-G211 CarbonylContact C-O 3.5Å; N175-G211 PolarHBondContact N-O 3.37Å; L176-G211 WeakPolarHBondContact CB-O 3.5Å; L176-G211 PolarHBondContact N-O 3.3Å; S209-G211 PolarHBondContact O-N 2.87Å; S209-G211 VanDerWaalsContact O-N 3.17Å; S209-G211 PolarHBondContact OG-N 3.09Å
212Y96.1Very high93Very high0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-145.6157.7169.860.7-86.8000111.9I173 V201 K210 L255 S257 F333 P336I173-Y212 CarbonylContact O-C 3.51Å; I173-Y212 WeakPolarHBondContact O-CA 3.37Å; I173-Y212 VanDerWaalsContact O-CB 3.31Å; I173-Y212 WeakPolarHBondContact O-CB 3.17Å; V201-Y212 HydrophobicContact CB-CD2 3.99Å; V201-Y212 HydrophobicContact CB-CE2 3.57Å; V201-Y212 HydrophobicContact CG1-CE2 3.85Å; V201-Y212 HydrophobicContact CG2-CD2 3.94Å; V201-Y212 HydrophobicContact CG2-CE2 3.65Å; V201-Y212 PolarHBondContact N-O 2.93Å; K210-Y212 VanDerWaalsContact C-N 3.33Å; K210-Y212 HydrophobicContact CB-CD1 3.89Å; K210-Y212 HydrophobicContact CB-CE1 3.37Å; K210-Y212 HydrophobicContact CD-CE1 4.21Å; K210-Y212 HydrophobicContact CG-CE1 4.4Å; K210-Y212 WeakPolarHBondContact O-CD1 3.26Å; Y212-L255 VanDerWaalsContact CE2-O 3.28Å; Y212-L255 WeakPolarHBondContact CE2-O 3.44Å; Y212-L255 PolarHBondContact OH-O 3.15Å; Y212-L255 VanDerWaalsContact OH-O 3.07Å; Y212-S257 PolarHBondContact OH-N 3.08Å; Y212-F333 HydrophobicContact CD1-CB 3.76Å; Y212-F333 HydrophobicContact CE1-CB 3.41Å; Y212-F333 VanDerWaalsContact CE1-CB 3.41Å; Y212-F333 AromaticContact CE1-CG 3.99Å; Y212-F333 HydrophobicContact CE1-CG 3.99Å; Y212-P336 HydrophobicContact CD2-CG 4.47Å; Y212-P336 HydrophobicContact CE2-CG 3.99Å
213G95.9Very high93.1Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-149.1171.9177.500000112.1C172 I173 F199C172-G213 WeakPolarHBondContact CA-O 3.24Å; I173-G213 PolarHBondContact N-O 3.08Å; I173-G213 PolarHBondContact O-N 2.87Å; F199-G213 CarbonylContact O-C 3.59Å; F199-G213 WeakPolarHBondContact O-CA 3.46Å
214F96.3Very high93.3Very high0 Ų034.3 Ų34.30%019%0.191CC..EExtended strand (participates in β ladder)trans-118.6139.9-179.1-75.2-81.8000110.7L170 L171 C172 C198 F199 V201 T245 L250 L255 P336L170-F214 HydrophobicContact CD1-CB 4.17Å; L170-F214 HydrophobicContact CD1-CD1 4.04Å; L170-F214 HydrophobicContact CD2-CD1 4.27Å; L170-F214 HydrophobicContact CG-CD1 4.33Å; L171-F214 WeakPolarHBondContact O-CA 3.4Å; C172-F214 HydrophobicContact CB-CD1 3.96Å; C172-F214 HydrophobicContact CB-CE1 3.71Å; C172-F214 HydrophobicContact CB-CZ 4.34Å; C198-F214 WeakPolarHBondContact CA-O 3.41Å; F199-F214 HydrophobicContact CD1-CB 4.38Å; F199-F214 HydrophobicContact CD2-CB 4.27Å; F199-F214 HydrophobicContact CD2-CD2 4.3Å; F199-F214 HydrophobicContact CE1-CB 3.87Å; F199-F214 HydrophobicContact CE2-CB 3.77Å; F199-F214 AromaticContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CE2 4.43Å; F199-F214 AromaticContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CZ-CB 3.52Å; F199-F214 AromaticContact CZ-CD2 3.89Å; F199-F214 HydrophobicContact CZ-CD2 3.89Å; F199-F214 AromaticContact CZ-CG 3.92Å; F199-F214 HydrophobicContact CZ-CG 3.92Å; F199-F214 PolarHBondContact N-O 3.46Å; F199-F214 PolarHBondContact O-N 3.07Å; V201-F214 HydrophobicContact CG2-CD2 3.87Å; V201-F214 HydrophobicContact CG2-CE2 3.89Å; F214-T245 HydrophobicContact CE1-CG2 4.1Å; F214-L250 HydrophobicContact CD1-CD1 4.3Å; F214-L250 HydrophobicContact CE1-CD1 3.74Å; F214-L250 HydrophobicContact CE1-CD2 4.35Å; F214-L250 HydrophobicContact CZ-CD1 4.14Å; F214-L250 HydrophobicContact CZ-CD2 4.06Å; F214-L255 HydrophobicContact CD2-CD2 3.99Å; F214-L255 HydrophobicContact CE2-CD2 3.5Å; F214-L255 VanDerWaalsContact CE2-CD2 3.5Å; F214-L255 HydrophobicContact CZ-CD2 4.01Å; F214-P336 HydrophobicContact CE2-CG 4.12Å; F214-P336 HydrophobicContact CZ-CG 3.62Å
215V96.2Very high93.6Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-137.7121.5175.259.70000110.2L171 I173 V189 L195 Y217L171-V215 HydrophobicContact CB-CG1 3.99Å; L171-V215 HydrophobicContact CD1-CG1 4.42Å; L171-V215 PolarHBondContact N-O 3.29Å; L171-V215 PolarHBondContact O-N 2.94Å; I173-V215 HydrophobicContact CD1-CG1 3.6Å; I173-V215 HydrophobicContact CG1-CG1 4.34Å; V189-V215 HydrophobicContact CB-CG2 4.12Å; V189-V215 HydrophobicContact CG1-CG1 4.38Å; V189-V215 HydrophobicContact CG2-CB 4.33Å; V189-V215 HydrophobicContact CG2-CG2 3.74Å; L195-V215 HydrophobicContact CD2-CG2 3.64Å; V215-Y217 HydrophobicContact CB-CE2 4.37Å; V215-Y217 HydrophobicContact CG1-CE2 3.83Å; V215-Y217 HydrophobicContact CG2-CD2 4.21Å; V215-Y217 HydrophobicContact CG2-CE1 4.44Å; V215-Y217 HydrophobicContact CG2-CE2 3.67Å
216E95.5Very high94.1Very high11 Ų1135.1 Ų35.15%0.05117%0.171CC..EExtended strand (participates in β ladder)trans-108.3126.4173.2-170170.4174.600109.7T167 L170 L195 E196 R197T167-E216 WeakPolarHBondContact CB-OE1 3.44Å; T167-E216 WeakPolarHBondContact CG2-OE1 3.45Å; T167-E216 PolarHBondContact OG1-OE1 3.48Å; L170-E216 HydrophobicContact CB-CB 4.47Å; L170-E216 HydrophobicContact CB-CG 4.38Å; L170-E216 HydrophobicContact CD1-CB 3.95Å; L195-E216 CarbonylContact C-O 3.59Å; L195-E216 WeakPolarHBondContact CA-O 3.38Å; E196-E216 HydrophobicContact CB-CB 4.47Å; E196-E216 HydrophobicContact CB-CG 4.39Å; E196-E216 PolarHBondContact N-O 3.37Å; R197-E216 HydrophobicContact CB-CB 4.31Å; R197-E216 IonicContact CZ-OE2 3.32Å; R197-E216 IonicContact NE-OE2 2.69Å; R197-E216 PolarHBondContact NE-OE2 2.87Å; R197-E216 IonicContact NH2-OE2 2.73Å; R197-E216 PolarHBondContact NH2-OE2 2.99Å; R197-E216 PolarHBondContact O-N 3.28Å
217Y95.7Very high94.6Very high3 Ų336.4 Ų36.41%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-97.1153.3179-66.8-93.1000111.9A169 L171 V189 F192 N194 L195 V215 K219 A223 A226A169-Y217 WeakPolarHBondContact CB-O 3.42Å; A169-Y217 PolarHBondContact O-N 3.08Å; A169-Y217 VanDerWaalsContact O-N 3.1Å; L171-Y217 HydrophobicContact CD1-CE2 4.12Å; V189-Y217 WeakPolarHBondContact CB-OH 3.36Å; V189-Y217 PolarHBondContact O-OH 3.45Å; V189-Y217 VanDerWaalsContact O-OH 3.13Å; F192-Y217 HydrophobicContact CB-CE1 3.85Å; N194-Y217 WeakPolarHBondContact O-CA 3.29Å; L195-Y217 HydrophobicContact CD2-CD1 3.67Å; L195-Y217 HydrophobicContact CD2-CE1 3.43Å; L195-Y217 VanDerWaalsContact CD2-CE1 3.43Å; L195-Y217 HydrophobicContact CD2-CG 4.46Å; V215-Y217 HydrophobicContact CB-CE2 4.37Å; V215-Y217 HydrophobicContact CG1-CE2 3.83Å; V215-Y217 HydrophobicContact CG2-CD2 4.21Å; V215-Y217 HydrophobicContact CG2-CE1 4.44Å; V215-Y217 HydrophobicContact CG2-CE2 3.67Å; Y217-K219 PolarHBondContact O-N 3.09Å; Y217-K219 VanDerWaalsContact O-N 3.07Å; Y217-A223 HydrophobicContact CD2-CB 3.61Å; Y217-A223 HydrophobicContact CE2-CB 4.27Å; Y217-A223 HydrophobicContact CG-CB 4.29Å; Y217-A226 HydrophobicContact CE2-CB 3.77Å; Y217-A226 WeakPolarHBondContact OH-CB 3.2Å
218M91.9Very high94.8Very high92 Ų9240.7 Ų40.745%0.45320%0.204SC..SBendtrans-58.5-22.5172.5-59.8-162.881.200113.5N194 E196N194-M218 HydrophobicContact CB-CB 4.35Å; N194-M218 HydrophobicContact CB-CG 3.52Å; N194-M218 HydrophobicContact CB-SD 3.41Å; N194-M218 WeakPolarHBondContact CB-SD 3.14Å; N194-M218 PolarHBondContact O-N 2.88Å; E196-M218 HydrophobicContact CG-CB 4.46Å; E196-M218 HydrophobicContact CG-CG 4.04Å; E196-M218 VanDerWaalsContact OE1-CE 3.26Å; E196-M218 WeakPolarHBondContact OE1-CE 3.34Å; E196-M218 VanDerWaalsContact OE1-CG 3.28Å; E196-M218 WeakPolarHBondContact OE1-CG 3.31Å
219K92.8Very high94.9Very high137 Ų13743.5 Ų43.560%0.59622%0.217SC*.SBendtrans-139.9137.4-175-62.9-177-179.2-179.30111.3Y217 D221 S222 A223Y217-K219 PolarHBondContact O-N 3.09Å; Y217-K219 VanDerWaalsContact O-N 3.07Å; K219-D221 VanDerWaalsContact C-N 3.25Å; K219-D221 PolarHBondContact O-N 3.39Å; K219-S222 WeakPolarHBondContact O-CB 3.3Å; K219-S222 PolarHBondContact O-N 3.33Å; K219-S222 VanDerWaalsContact O-N 3.07Å; K219-A223 PolarHBondContact O-N 3.33Å
220K94.3Very high94.9Very high101 Ų10143.1 Ų43.144%0.43922%0.215SC..Hα-helixtrans-54.1-39.1174.9-169.7-179.2-162.9163.90113.1D168 S222 A223 A224D168-K220 VanDerWaalsContact OD2-CD 3.31Å; D168-K220 WeakPolarHBondContact OD2-CD 3.18Å; D168-K220 WeakPolarHBondContact OD2-CE 3.31Å; D168-K220 IonicContact OD2-NZ 3.72Å; D168-K220 PolarHBondContact OD2-NZ 3.26Å; K220-S222 VanDerWaalsContact C-N 3.26Å; K220-S222 PolarHBondContact O-N 2.9Å; K220-A223 CarbonylContact O-C 3.56Å; K220-A223 WeakPolarHBondContact O-CB 3.26Å; K220-A223 PolarHBondContact O-N 3.16Å; K220-A223 VanDerWaalsContact O-N 3.16Å; K220-A224 WeakPolarHBondContact O-CB 3.4Å; K220-A224 PolarHBondContact O-N 3.2Å
221D95.9Very high94.9Very high116 Ų11644.3 Ų44.362%0.6222%0.221SC*.Hα-helixtrans-64.2-31.9-179.2-48.6-52.1000112.4K219 A224 R225K219-D221 VanDerWaalsContact C-N 3.25Å; K219-D221 PolarHBondContact O-N 3.39Å; D221-A224 PolarHBondContact O-N 2.98Å; D221-R225 WeakPolarHBondContact O-CG 3.25Å; D221-R225 PolarHBondContact O-N 3.38Å
222S96.4Very high94.7Very high13 Ų1344.8 Ų44.89%0.09123%0.226CC..Hα-helixtrans-68-44.6174.3-59.90000110.9F192 K219 K220 A224 R225 A226F192-S222 VanDerWaalsContact O-CB 3.23Å; F192-S222 WeakPolarHBondContact O-CB 3.06Å; F192-S222 PolarHBondContact O-OG 3.05Å; K219-S222 WeakPolarHBondContact O-CB 3.3Å; K219-S222 PolarHBondContact O-N 3.33Å; K219-S222 VanDerWaalsContact O-N 3.07Å; K220-S222 VanDerWaalsContact C-N 3.26Å; K220-S222 PolarHBondContact O-N 2.9Å; S222-A224 PolarHBondContact O-N 3.21Å; S222-R225 PolarHBondContact O-N 2.74Å; S222-A226 WeakPolarHBondContact O-CB 3.08Å; S222-A226 PolarHBondContact O-N 3.32Å
223A96.4Very high94.4Very high0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-63.1-38.5173.200000112.5A169 L171 Y217 K219 K220 A226 K227 W244A169-A223 HydrophobicContact CB-CB 4.24Å; A169-A223 WeakPolarHBondContact O-CB 3.28Å; L171-A223 HydrophobicContact CD1-CB 4.36Å; L171-A223 WeakPolarHBondContact CD1-O 3.4Å; L171-A223 HydrophobicContact CG-CB 4.28Å; Y217-A223 HydrophobicContact CD2-CB 3.61Å; Y217-A223 HydrophobicContact CE2-CB 4.27Å; Y217-A223 HydrophobicContact CG-CB 4.29Å; K219-A223 PolarHBondContact O-N 3.33Å; K220-A223 CarbonylContact O-C 3.56Å; K220-A223 WeakPolarHBondContact O-CB 3.26Å; K220-A223 PolarHBondContact O-N 3.16Å; K220-A223 VanDerWaalsContact O-N 3.16Å; A223-A226 PolarHBondContact O-N 3.01Å; A223-K227 WeakPolarHBondContact O-CB 3.46Å; A223-K227 PolarHBondContact O-N 3.07Å; A223-W244 HydrophobicContact CB-CH2 3.76Å; A223-W244 HydrophobicContact CB-CZ3 3.55Å
224A96.3Very high94.1Very high43 Ų4355 Ų5536%0.35527%0.273SS..Hα-helixtrans-64.1-43.6177.300000111.8K220 D221 S222 S228 W244K220-A224 WeakPolarHBondContact O-CB 3.4Å; K220-A224 PolarHBondContact O-N 3.2Å; D221-A224 PolarHBondContact O-N 2.98Å; S222-A224 PolarHBondContact O-N 3.21Å; A224-S228 WeakPolarHBondContact O-CB 3.31Å; A224-S228 PolarHBondContact O-N 3.13Å; A224-W244 HydrophobicContact CB-CH2 4.24Å; A224-W244 HydrophobicContact CB-CZ2 4.32Å
225R95.8Very high93.8Very high147 Ų14757.1 Ų57.156%0.55528%0.284SS*.Hα-helixtrans-62.9-49.4172.6-69.1-172.6-53.4170.56.9111.7F192 D221 S222 K227 S228 E229F192-R225 PolarHBondContact O-NH2 3.44Å; D221-R225 WeakPolarHBondContact O-CG 3.25Å; D221-R225 PolarHBondContact O-N 3.38Å; S222-R225 PolarHBondContact O-N 2.74Å; R225-K227 VanDerWaalsContact C-N 3.34Å; R225-K227 PolarHBondContact O-N 3.05Å; R225-S228 PolarHBondContact O-N 3.4Å; R225-E229 PolarHBondContact O-N 3.27Å
226A96.4Very high93.3Very high0 Ų060 Ų600%031%0.314CS..Hα-helixtrans-54.8-48.4178.200000111.8L171 F192 Y217 S222 A223 S228 E229 L230L171-A226 HydrophobicContact CD1-CB 3.92Å; F192-A226 HydrophobicContact CB-CB 3.69Å; F192-A226 HydrophobicContact CD1-CB 4.37Å; F192-A226 HydrophobicContact CD2-CB 3.63Å; F192-A226 HydrophobicContact CE2-CB 4.45Å; F192-A226 HydrophobicContact CG-CB 3.61Å; Y217-A226 HydrophobicContact CE2-CB 3.77Å; Y217-A226 WeakPolarHBondContact OH-CB 3.2Å; S222-A226 WeakPolarHBondContact O-CB 3.08Å; S222-A226 PolarHBondContact O-N 3.32Å; A223-A226 PolarHBondContact O-N 3.01Å; A226-S228 VanDerWaalsContact C-N 3.35Å; A226-S228 PolarHBondContact O-N 3.38Å; A226-E229 PolarHBondContact O-N 3.47Å; A226-L230 HydrophobicContact CB-CD1 4.47Å; A226-L230 WeakPolarHBondContact O-CB 3.48Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.23Å; A226-L230 PolarHBondContact O-N 2.91Å
227K95.3Very high92.7Very high49 Ų4963.2 Ų63.221%0.21334%0.337CS..Hα-helixtrans-61.7-42.5175.3-176178.5-178.9-177.10112L171 A223 R225 E229 L231 V242 W244L171-K227 HydrophobicContact CD1-CB 4.1Å; L171-K227 HydrophobicContact CD2-CB 4.03Å; L171-K227 HydrophobicContact CD2-CD 4.29Å; L171-K227 HydrophobicContact CD2-CG 4.49Å; A223-K227 WeakPolarHBondContact O-CB 3.46Å; A223-K227 PolarHBondContact O-N 3.07Å; R225-K227 VanDerWaalsContact C-N 3.34Å; R225-K227 PolarHBondContact O-N 3.05Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 3.46Å; K227-L231 WeakPolarHBondContact O-CB 3.39Å; K227-L231 PolarHBondContact O-N 3.32Å; K227-L231 VanDerWaalsContact O-N 3.13Å; K227-V242 HydrophobicContact CB-CG1 4.14Å; K227-V242 VanDerWaalsContact CE-O 3.31Å; K227-V242 WeakPolarHBondContact CE-O 3.48Å; K227-V242 HydrophobicContact CG-CB 4.28Å; K227-V242 HydrophobicContact CG-CG1 3.94Å; K227-W244 HydrophobicContact CD-CD2 4.27Å; K227-W244 HydrophobicContact CD-CG 4.34Å; K227-W244 HydrophobicContact CD-CZ2 4.3Å
228S92.5Very high92.4Very high89 Ų8963.5 Ų63.562%0.62234%0.338SS*.Hα-helixtrans-64.6-31.9-176.8-1660000113.4A224 R225 A226 R357A224-S228 WeakPolarHBondContact O-CB 3.31Å; A224-S228 PolarHBondContact O-N 3.13Å; R225-S228 PolarHBondContact O-N 3.4Å; A226-S228 VanDerWaalsContact C-N 3.35Å; A226-S228 PolarHBondContact O-N 3.38Å; S228-R357 PolarHBondContact O-NH2 3.04Å
229E92.2Very high92.3Very high94 Ų9463.1 Ų63.144%0.43934%0.336SS..Hα-helixtrans-90.5-49.3176.1-163.6-169.6114.800112.7F192 R225 A226 K227 K233F192-E229 HydrophobicContact CE1-CB 3.99Å; F192-E229 HydrophobicContact CE1-CG 4.43Å; F192-E229 WeakPolarHBondContact CE1-OE2 3.47Å; F192-E229 HydrophobicContact CZ-CB 4.18Å; F192-E229 HydrophobicContact CZ-CG 4.47Å; R225-E229 PolarHBondContact O-N 3.27Å; A226-E229 PolarHBondContact O-N 3.47Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 3.46Å; E229-K233 IonicContact OE1-NZ 2.7Å; E229-K233 PolarHBondContact OE1-NZ 3.4Å
230L93.7Very high92.4Very high0 Ų056.8 Ų56.80%031%0.309CS..Hα-helixtrans-73.3-32.2-171.7-65178.9000114I173 L188 V189 F192 A226 G232 K233 L240 V242I173-L230 HydrophobicContact CD1-CD1 3.72Å; L188-L230 HydrophobicContact CD1-CD2 3.87Å; L188-L230 HydrophobicContact CG-CD2 4.13Å; V189-L230 HydrophobicContact CG1-CD1 4.05Å; F192-L230 HydrophobicContact CD2-CD1 4.18Å; F192-L230 HydrophobicContact CD2-CG 4.47Å; F192-L230 HydrophobicContact CE2-CD1 3.68Å; F192-L230 HydrophobicContact CE2-CD2 3.76Å; F192-L230 HydrophobicContact CE2-CG 3.62Å; F192-L230 HydrophobicContact CZ-CD2 3.97Å; F192-L230 HydrophobicContact CZ-CG 3.97Å; A226-L230 HydrophobicContact CB-CD1 4.47Å; A226-L230 WeakPolarHBondContact O-CB 3.48Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.23Å; A226-L230 PolarHBondContact O-N 2.91Å; L230-G232 PolarHBondContact O-N 2.72Å; L230-K233 HydrophobicContact CD2-CD 3.73Å; L230-K233 VanDerWaalsContact O-CB 3.3Å; L230-K233 WeakPolarHBondContact O-CB 3.41Å; L230-K233 PolarHBondContact O-N 2.8Å; L230-K233 VanDerWaalsContact O-N 3.09Å; L230-L240 WeakPolarHBondContact O-CB 3.43Å; L230-V242 HydrophobicContact CB-CG2 3.85Å
231L93.6Very high92.4Very high33 Ų3352.8 Ų52.817%0.17329%0.291CS..THydrogen-bonded Turntrans-55.1130.9170.8178.964.9000108.4K227 K233 Y241 V242 A350 R357K227-L231 WeakPolarHBondContact O-CB 3.39Å; K227-L231 PolarHBondContact O-N 3.32Å; K227-L231 VanDerWaalsContact O-N 3.13Å; L231-K233 PolarHBondContact O-N 2.97Å; L231-K233 VanDerWaalsContact O-N 3.12Å; L231-Y241 HydrophobicContact CD1-CD2 3.89Å; L231-Y241 HydrophobicContact CD1-CE2 4.36Å; L231-V242 HydrophobicContact CB-CB 4.15Å; L231-V242 HydrophobicContact CB-CG2 4.37Å; L231-V242 HydrophobicContact CD1-CB 4.39Å; L231-A350 HydrophobicContact CD1-CB 3.97Å; L231-R357 PolarHBondContact O-NH1 3.17Å; L231-R357 PolarHBondContact O-NH2 2.98Å
232G89.3Confident92.4Very high12 Ų1247.4 Ų47.412%0.12426%0.263CS..THydrogen-bonded Turntrans59.920.5-179.900000115.1L230 M239 L240 R357L230-G232 PolarHBondContact O-N 2.72Å; G232-M239 WeakPolarHBondContact O-CE 3.28Å; G232-L240 WeakPolarHBondContact CA-O 3.26Å; G232-L240 PolarHBondContact N-O 3.25Å; G232-R357 PolarHBondContact O-NH1 2.88Å
233K90.6Very high92.3Very high72 Ų7249.1 Ų49.131%0.31327%0.269SS..  trans-78.1134.7168.9-169.8168.5-173.7167.10108.6E229 L230 L231 L240E229-K233 IonicContact OE1-NZ 2.7Å; E229-K233 PolarHBondContact OE1-NZ 3.4Å; L230-K233 HydrophobicContact CD2-CD 3.73Å; L230-K233 VanDerWaalsContact O-CB 3.3Å; L230-K233 WeakPolarHBondContact O-CB 3.41Å; L230-K233 PolarHBondContact O-N 2.8Å; L230-K233 VanDerWaalsContact O-N 3.09Å; L231-K233 PolarHBondContact O-N 2.97Å; L231-K233 VanDerWaalsContact O-N 3.12Å; K233-L240 HydrophobicContact CB-CD1 4.44Å; K233-L240 PolarHBondContact O-N 3.24Å
234Q89.9Confident92.2Very high143 Ų14353.4 Ų53.467%0.66829%0.285SS*.EExtended strand (participates in β ladder)trans-80.5131.6175.7-166.9167.3-4.200110.1G236 M239Q234-G236 WeakPolarHBondContact CG-O 3.46Å; Q234-G236 PolarHBondContact NE2-O 2.82Å; Q234-G236 VanDerWaalsContact NE2-O 3.15Å; Q234-M239 HydrophobicContact CB-SD 3.54Å; Q234-M239 VanDerWaalsContact CB-SD 3.54Å; Q234-M239 HydrophobicContact CG-SD 3.79Å
235L88.8Confident92Very high44 Ų4452.1 Ų52.123%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-133.491.6176.5-168.565.7000108L176 P177 F180 L188 S237 R238 L240L176-L235 HydrophobicContact CD2-CD2 4.11Å; P177-L235 HydrophobicContact CG-CD2 4.31Å; P177-L235 HydrophobicContact CG-CG 4.44Å; F180-L235 HydrophobicContact CD2-CD2 4.45Å; F180-L235 HydrophobicContact CE1-CD2 4.36Å; F180-L235 HydrophobicContact CE2-CD2 4.04Å; F180-L235 HydrophobicContact CZ-CD2 3.99Å; L188-L235 HydrophobicContact CD2-CD2 4.4Å; L235-S237 PolarHBondContact O-N 3.4Å; L235-R238 PolarHBondContact N-O 2.87Å; L235-R238 PolarHBondContact O-N 2.8Å; L235-L240 HydrophobicContact CB-CD1 4.48Å; L235-L240 HydrophobicContact CB-CD2 4.08Å; L235-L240 HydrophobicContact CB-CG 4.21Å; L235-L240 HydrophobicContact CD2-CD1 4.34Å; L235-L240 HydrophobicContact CD2-CD2 4.03Å
236G85.3Confident91.6Very high61 Ų6152 Ų5263%0.62928%0.279SS*.THydrogen-bonded Turntrans62.4-125.5-171.100000112.4Q234 R238Q234-G236 WeakPolarHBondContact CG-O 3.46Å; Q234-G236 PolarHBondContact NE2-O 2.82Å; Q234-G236 VanDerWaalsContact NE2-O 3.15Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 3.16Å
237S84.4Confident91Very high79 Ų7952.4 Ų52.455%0.55228%0.281SS*.THydrogen-bonded Turntrans-83.910.4179.770.30000114.3L235 R330L235-S237 PolarHBondContact O-N 3.4Å; S237-R330 PolarHBondContact O-NH2 2.87Å; S237-R330 PolarHBondContact OG-NH1 2.9Å
238R88.3Confident90.2Very high8 Ų853.9 Ų53.93%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-128.9151.8-174-56.7-176.2-171.9-148.8-5.9111.4D70 N175 L176 L235 G236D70-R238 IonicContact OD1-CZ 2.78Å; D70-R238 IonicContact OD1-NE 2.67Å; D70-R238 IonicContact OD1-NH2 3.64Å; D70-R238 PolarHBondContact OD1-NH2 3.04Å; D70-R238 IonicContact OD2-NH2 2.79Å; N175-R238 WeakPolarHBondContact O-CB 3.44Å; L176-R238 PolarHBondContact O-NH1 2.78Å; L235-R238 PolarHBondContact N-O 2.87Å; L235-R238 PolarHBondContact O-N 2.8Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 3.16Å
239M90.8Very high89.5Confident84 Ų8452.6 Ų52.641%0.41430%0.301SS..EExtended strand (participates in β ladder)trans-115.5116.6177.3-70.8-68.8-76.700108.3N175 G232 Q234 A354N175-M239 PolarHBondContact ND2-N 2.66Å; N175-M239 PolarHBondContact ND2-O 2.75Å; G232-M239 WeakPolarHBondContact O-CE 3.28Å; Q234-M239 HydrophobicContact CB-SD 3.54Å; Q234-M239 VanDerWaalsContact CB-SD 3.54Å; Q234-M239 HydrophobicContact CG-SD 3.79Å; M239-A354 HydrophobicContact CE-CB 4.25Å
240L94.3Very high89.1Confident4 Ų449 Ų492%0.02129%0.285CS..  trans-66.5138.2-173.1-58.2-173.3000111.5I173 L176 L188 L230 G232 K233 L235I173-L240 HydrophobicContact CG2-CD1 4.5Å; L176-L240 HydrophobicContact CD2-CD1 4.39Å; L176-L240 HydrophobicContact CD2-CD2 3.67Å; L176-L240 HydrophobicContact CG-CD2 4.28Å; L188-L240 HydrophobicContact CD2-CD1 4.03Å; L230-L240 WeakPolarHBondContact O-CB 3.43Å; G232-L240 WeakPolarHBondContact CA-O 3.26Å; G232-L240 PolarHBondContact N-O 3.25Å; K233-L240 HydrophobicContact CB-CD1 4.44Å; K233-L240 PolarHBondContact O-N 3.24Å; L235-L240 HydrophobicContact CB-CD1 4.48Å; L235-L240 HydrophobicContact CB-CD2 4.08Å; L235-L240 HydrophobicContact CB-CG 4.21Å; L235-L240 HydrophobicContact CD2-CD1 4.34Å; L235-L240 HydrophobicContact CD2-CD2 4.03Å
241Y94.2Very high88.8Confident18 Ų1852.3 Ų52.37%0.07131%0.305CS..EExtended strand (participates in β ladder)trans-109135.9171.5174.9-111.9000109.4I173 A174 L231 H243 A335 M343 A346 L347 A350I173-Y241 CarbonylContact C-O 3.43Å; I173-Y241 WeakPolarHBondContact CA-O 3.33Å; A174-Y241 HydrophobicContact CB-CD1 4.44Å; A174-Y241 PolarHBondContact N-O 3.35Å; A174-Y241 PolarHBondContact O-N 2.86Å; L231-Y241 HydrophobicContact CD1-CD2 3.89Å; L231-Y241 HydrophobicContact CD1-CE2 4.36Å; Y241-H243 HydrophobicContact CE1-CB 3.96Å; Y241-H243 PolarHBondContact OH-ND1 2.95Å; Y241-A335 HydrophobicContact CD1-CB 4.25Å; Y241-A335 HydrophobicContact CE1-CB 4.1Å; Y241-M343 HydrophobicContact CE1-CE 4.4Å; Y241-M343 HydrophobicContact CE1-SD 3.81Å; Y241-A346 WeakPolarHBondContact OH-CB 3.43Å; Y241-L347 HydrophobicContact CD1-CD2 4.09Å; Y241-L347 HydrophobicContact CD2-CD2 3.72Å; Y241-L347 HydrophobicContact CE1-CD2 4.47Å; Y241-L347 HydrophobicContact CE2-CD2 4.16Å; Y241-L347 HydrophobicContact CG-CD2 3.69Å; Y241-A350 HydrophobicContact CD2-CB 3.83Å; Y241-A350 HydrophobicContact CE2-CB 3.99Å
242V95.5Very high88.5Confident2 Ų253.5 Ų53.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-132.4120-176.7-172.40000111.3L171 C172 I173 K227 L230 L231L171-V242 HydrophobicContact CB-CG1 4.13Å; L171-V242 HydrophobicContact CD1-CG1 3.95Å; L171-V242 HydrophobicContact CD2-CG1 4.21Å; L171-V242 HydrophobicContact CG-CG1 4.34Å; C172-V242 WeakPolarHBondContact O-CA 3.17Å; I173-V242 HydrophobicContact CB-CG2 4.43Å; I173-V242 HydrophobicContact CG1-CG1 4.04Å; I173-V242 HydrophobicContact CG1-CG2 3.98Å; I173-V242 HydrophobicContact CG2-CG2 4.26Å; K227-V242 HydrophobicContact CB-CG1 4.14Å; K227-V242 VanDerWaalsContact CE-O 3.31Å; K227-V242 WeakPolarHBondContact CE-O 3.48Å; K227-V242 HydrophobicContact CG-CB 4.28Å; K227-V242 HydrophobicContact CG-CG1 3.94Å; L230-V242 HydrophobicContact CB-CG2 3.85Å; L231-V242 HydrophobicContact CB-CB 4.15Å; L231-V242 HydrophobicContact CB-CG2 4.37Å; L231-V242 HydrophobicContact CD1-CB 4.39Å
243H93.7Very high88.5Confident49 Ų4957.2 Ų57.223%0.22733%0.33CS..EExtended strand (participates in β ladder)trans-115.1147.5-175.8-164.863.8000110.3L171 C172 Y241 A335 P338L171-H243 VanDerWaalsContact CA-O 3.29Å; L171-H243 WeakPolarHBondContact CA-O 3.31Å; C172-H243 PolarHBondContact N-O 2.89Å; C172-H243 PolarHBondContact O-N 3.19Å; Y241-H243 HydrophobicContact CE1-CB 3.96Å; Y241-H243 PolarHBondContact OH-ND1 2.95Å; H243-A335 HydrophobicContact CB-CB 4.43Å; H243-P338 VanDerWaalsContact NE2-CG 3.31Å; H243-P338 WeakPolarHBondContact NE2-CG 3.44Å
244W94.4Very high88.4Confident91 Ų9158.5 Ų58.535%0.34534%0.337SS..EExtended strand (participates in β ladder)trans-77.5138166-71.5121.4000107.6D168 L171 A223 A224 K227D168-W244 VanDerWaalsContact O-CZ3 3.3Å; D168-W244 WeakPolarHBondContact O-CZ3 3.3Å; L171-W244 HydrophobicContact CD2-CD2 3.76Å; L171-W244 HydrophobicContact CD2-CE3 3.35Å; L171-W244 HydrophobicContact CD2-CG 4.45Å; L171-W244 HydrophobicContact CD2-CH2 4.27Å; L171-W244 HydrophobicContact CD2-CZ3 3.65Å; L171-W244 HydrophobicContact CG-CE3 4.44Å; L171-W244 HydrophobicContact CG-CZ3 4.47Å; A223-W244 HydrophobicContact CB-CH2 3.76Å; A223-W244 HydrophobicContact CB-CZ3 3.55Å; A224-W244 HydrophobicContact CB-CH2 4.24Å; A224-W244 HydrophobicContact CB-CZ2 4.32Å; K227-W244 HydrophobicContact CD-CD2 4.27Å; K227-W244 HydrophobicContact CD-CG 4.34Å; K227-W244 HydrophobicContact CD-CZ2 4.3Å
245T92.2Very high88.5Confident16 Ų1651.8 Ų51.810%0.09831%0.306CS..  trans-129.8135.2177.3-43.80000111.1L170 F214 L250L170-T245 PolarHBondContact O-N 2.79Å; L170-T245 VanDerWaalsContact O-N 3.15Å; F214-T245 HydrophobicContact CE1-CG2 4.1Å; T245-L250 HydrophobicContact CG2-CD1 3.7Å; T245-L250 HydrophobicContact CG2-CD2 3.98Å; T245-L250 HydrophobicContact CG2-CG 3.88Å
246E88.2Confident88.7Confident145 Ų14551.5 Ų51.568%0.67830%0.303SS*.  trans-80.5119.6-178.1-67.1178.6-179.700110.8G248 S249E246-G248 PolarHBondContact O-N 2.87Å; E246-G248 VanDerWaalsContact O-N 3.14Å; E246-S249 PolarHBondContact O-N 3.29Å; E246-S249 PolarHBondContact O-OG 3.01Å
247V84.1Confident89.1Confident7 Ų748.8 Ų48.84%0.04227%0.274CS..THydrogen-bonded Turntrans-71.3-9.6-176.2-149.60000113.1R95 T167 L170 R197R95-V247 VanDerWaalsContact CZ-CG1 3.46Å; R95-V247 PolarHBondContact NH1-O 3.24Å; T167-V247 WeakPolarHBondContact OG1-CG2 3.39Å; L170-V247 HydrophobicContact CB-CG2 3.66Å; L170-V247 HydrophobicContact CD2-CB 4.3Å; L170-V247 HydrophobicContact CD2-CG1 4.19Å; L170-V247 HydrophobicContact CD2-CG2 3.73Å; L170-V247 HydrophobicContact CG-CG2 4.31Å; R197-V247 VanDerWaalsContact NH2-CG1 3.31Å
248G78.6Confident89.6Confident81 Ų8149.8 Ų49.884%0.83527%0.269SS*.THydrogen-bonded Turntrans-83.3-23.9174.600000114.2E246E246-G248 PolarHBondContact O-N 2.87Å; E246-G248 VanDerWaalsContact O-N 3.14Å
249S76.8Confident89.9Confident61 Ų6149.6 Ų49.643%0.42727%0.268SS..SBendtrans-106.15.6-176.456.70000113.9E246 Q254E246-S249 PolarHBondContact O-N 3.29Å; E246-S249 PolarHBondContact O-OG 3.01Å; S249-Q254 PolarHBondContact O-OE1 2.91Å; S249-Q254 VanDerWaalsContact O-OE1 3.07Å
250L84.6Confident90.1Very high19 Ų1945.7 Ų45.710%0.09925%0.249CC..  trans-96.3106.9173.1-73.8174.9000111.5F92 L170 F214 T245 L255F92-L250 HydrophobicContact CE2-CB 4.35Å; F92-L250 WeakPolarHBondContact CZ-O 3.17Å; L170-L250 HydrophobicContact CD2-CD1 3.45Å; L170-L250 VanDerWaalsContact CD2-CD1 3.45Å; F214-L250 HydrophobicContact CD1-CD1 4.3Å; F214-L250 HydrophobicContact CE1-CD1 3.74Å; F214-L250 HydrophobicContact CE1-CD2 4.35Å; F214-L250 HydrophobicContact CZ-CD1 4.14Å; F214-L250 HydrophobicContact CZ-CD2 4.06Å; T245-L250 HydrophobicContact CG2-CD1 3.7Å; T245-L250 HydrophobicContact CG2-CD2 3.98Å; T245-L250 HydrophobicContact CG2-CG 3.88Å; L250-L255 HydrophobicContact CD2-CD2 4.48Å
251T88.1Confident90Very high69 Ų6946.4 Ų46.442%0.42325%0.254SS..  trans-93.3164.4157.164.90000110.8Q254 L255T251-Q254 WeakPolarHBondContact O-CB 3.44Å; T251-Q254 PolarHBondContact O-N 2.84Å; T251-Q254 VanDerWaalsContact OG1-CD 3.31Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.23Å; T251-Q254 PolarHBondContact OG1-OE1 2.93Å; T251-L255 PolarHBondContact O-N 3.45Å
252Y87.1Confident89.9Confident59 Ų5945.5 Ų45.523%0.23125%0.251CS..THydrogen-bonded Turntrans-53.4-48.9178.5-169.8-98.8000114.2R89 F92 Q254 L255R89-Y252 HydrophobicContact CB-CE2 4.03Å; R89-Y252 HydrophobicContact CG-CE2 4.13Å; F92-Y252 HydrophobicContact CD1-CD2 4.1Å; F92-Y252 HydrophobicContact CG-CD2 4.48Å; Y252-Q254 VanDerWaalsContact C-N 3.26Å; Y252-Q254 PolarHBondContact O-N 2.7Å; Y252-L255 HydrophobicContact CD2-CD1 3.72Å; Y252-L255 HydrophobicContact CE2-CD1 4.1Å; Y252-L255 HydrophobicContact CG-CD1 4.37Å; Y252-L255 WeakPolarHBondContact O-CB 3.31Å; Y252-L255 VanDerWaalsContact O-CG 3.29Å; Y252-L255 WeakPolarHBondContact O-CG 3.48Å; Y252-L255 PolarHBondContact O-N 2.89Å
253P88.1Confident89.6Confident90 Ų9047 Ų4758%0.58426%0.259SS*.G310 helixtrans-65.4-26.9176.125.5-35.2000113.5L255 H256P253-L255 PolarHBondContact O-N 3.49Å; P253-H256 PolarHBondContact O-N 2.76Å
254Q89.4Confident89.1Confident99 Ų9947.9 Ų47.946%0.46326%0.263SS..G310 helixtrans-75.1-7.1174.7-70.1167.1-53.100113.5S249 T251 Y252 H256 P336S249-Q254 PolarHBondContact O-OE1 2.91Å; S249-Q254 VanDerWaalsContact O-OE1 3.07Å; T251-Q254 WeakPolarHBondContact O-CB 3.44Å; T251-Q254 PolarHBondContact O-N 2.84Å; T251-Q254 VanDerWaalsContact OG1-CD 3.31Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.23Å; T251-Q254 PolarHBondContact OG1-OE1 2.93Å; Y252-Q254 VanDerWaalsContact C-N 3.26Å; Y252-Q254 PolarHBondContact O-N 2.7Å; Q254-H256 PolarHBondContact O-N 2.89Å; Q254-P336 WeakPolarHBondContact O-CB 3.39Å
255L91.6Very high88.6Confident2 Ų243.9 Ų43.91%0.0125%0.248CC..G310 helixtrans-64.2-25.3165.7-61.5174.8000111.5F92 F199 V201 Y212 F214 L250 T251 Y252 P253F92-L255 HydrophobicContact CB-CD1 4.47Å; F92-L255 HydrophobicContact CD2-CD1 3.76Å; F92-L255 HydrophobicContact CD2-CD2 3.85Å; F92-L255 HydrophobicContact CD2-CG 4.22Å; F92-L255 HydrophobicContact CE2-CD1 4.15Å; F92-L255 HydrophobicContact CE2-CD2 3.83Å; F92-L255 HydrophobicContact CE2-CG 4.19Å; F92-L255 HydrophobicContact CG-CD1 4.07Å; F199-L255 HydrophobicContact CE2-CD1 4.28Å; F199-L255 HydrophobicContact CE2-CD2 4.06Å; F199-L255 HydrophobicContact CZ-CD2 4.32Å; V201-L255 HydrophobicContact CG1-CB 4.48Å; V201-L255 HydrophobicContact CG2-CB 4.44Å; Y212-L255 VanDerWaalsContact CE2-O 3.28Å; Y212-L255 WeakPolarHBondContact CE2-O 3.44Å; Y212-L255 PolarHBondContact OH-O 3.15Å; Y212-L255 VanDerWaalsContact OH-O 3.07Å; F214-L255 HydrophobicContact CD2-CD2 3.99Å; F214-L255 HydrophobicContact CE2-CD2 3.5Å; F214-L255 VanDerWaalsContact CE2-CD2 3.5Å; F214-L255 HydrophobicContact CZ-CD2 4.01Å; L250-L255 HydrophobicContact CD2-CD2 4.48Å; T251-L255 PolarHBondContact O-N 3.45Å; Y252-L255 HydrophobicContact CD2-CD1 3.72Å; Y252-L255 HydrophobicContact CE2-CD1 4.1Å; Y252-L255 HydrophobicContact CG-CD1 4.37Å; Y252-L255 WeakPolarHBondContact O-CB 3.31Å; Y252-L255 VanDerWaalsContact O-CG 3.29Å; Y252-L255 WeakPolarHBondContact O-CG 3.48Å; Y252-L255 PolarHBondContact O-N 2.89Å; P253-L255 PolarHBondContact O-N 3.49Å
256H93.1Very high87.9Confident38 Ų3843.3 Ų43.318%0.17625%0.245CC..SBendtrans-87113.5178.6-62.3-32.1000111.2Y202 K210 P253 Q254 A309Y202-H256 PolarHBondContact O-CE1 3.38Å; K210-H256 PolarHBondContact NZ-ND1 3.5Å; P253-H256 PolarHBondContact O-N 2.76Å; Q254-H256 PolarHBondContact O-N 2.89Å; H256-A309 HydrophobicContact CB-CB 3.61Å; H256-A309 VanDerWaalsContact O-CB 3.29Å; H256-A309 WeakPolarHBondContact O-CB 3.21Å
257S94.6Very high87Confident3 Ų341.5 Ų41.52%0.02125%0.246CC..  trans-66134.7-179.5-167.40000113.3Y212 C259 C334Y212-S257 PolarHBondContact OH-N 3.08Å; S257-C259 PolarHBondContact OG-N 3.48Å; S257-C259 PolarHBondContact OG-O 3.2Å; S257-C334 WeakPolarHBondContact CB-O 3.42Å; S257-C334 PolarHBondContact OG-O 3.26Å
258K94.2Very high85.9Confident101 Ų10144.9 Ų44.944%0.43927%0.269SS..SBendtrans-86-9.3170.1-59-169.9-179.8-166.20113.5E305 F306 A307 A309K258-E305 WeakPolarHBondContact O-CA 3.44Å; K258-F306 PolarHBondContact O-N 3.17Å; K258-A307 WeakPolarHBondContact CE-O 3.38Å; K258-A307 PolarHBondContact NZ-O 3.25Å; K258-A309 HydrophobicContact CG-CB 4.31Å
259C94.6Very high85.1Confident3 Ų342.4 Ų42.42%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-106.7135.5-174.2-75.90000111.5S257 L304 C334S257-C259 PolarHBondContact OG-N 3.48Å; S257-C259 PolarHBondContact OG-O 3.2Å; C259-L304 CarbonylContact C-O 3.41Å; C259-L304 WeakPolarHBondContact CA-O 3.14Å; C259-C334 HydrophobicContact CB-CB 3.66Å; C259-C334 WeakPolarHBondContact O-CB 3.31Å; C259-C334 PolarHBondContact O-N 3.11Å
260L94.4Very high84.3Confident3 Ų344.3 Ų44.32%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-114.2145.6174.4-56.1-176.1000110.7V303 L304 F306 A312 A315 Q316 V331 S332 F333 C334L260-V303 WeakPolarHBondContact O-CA 3.33Å; L260-L304 PolarHBondContact N-O 3.47Å; L260-L304 PolarHBondContact O-N 2.84Å; L260-F306 HydrophobicContact CD1-CD2 4.39Å; L260-F306 HydrophobicContact CD1-CE2 3.61Å; L260-F306 HydrophobicContact CD1-CZ 4.26Å; L260-F306 HydrophobicContact CG-CD2 4.39Å; L260-F306 HydrophobicContact CG-CE2 3.93Å; L260-A312 HydrophobicContact CD2-CB 4.2Å; L260-A312 HydrophobicContact CG-CB 4.34Å; L260-A315 HydrophobicContact CD1-CB 4.14Å; L260-Q316 HydrophobicContact CD1-CB 3.97Å; L260-Q316 HydrophobicContact CD2-CB 3.95Å; L260-Q316 HydrophobicContact CD2-CG 4.32Å; L260-V331 HydrophobicContact CB-CG1 4.16Å; L260-V331 HydrophobicContact CD1-CG1 3.79Å; L260-V331 HydrophobicContact CG-CG1 4.46Å; L260-S332 CarbonylContact C-O 3.52Å; L260-S332 VanDerWaalsContact CA-O 3.3Å; L260-S332 WeakPolarHBondContact CA-O 3.43Å; L260-F333 HydrophobicContact CD2-CD1 3.46Å; L260-F333 VanDerWaalsContact CD2-CD1 3.46Å; L260-F333 HydrophobicContact CD2-CE1 3.81Å; L260-F333 HydrophobicContact CD2-CG 4.02Å; L260-C334 VanDerWaalsContact C-SG 3.5Å
261C93.5Very high83.7Confident18 Ų1846.9 Ų46.912%0.12226%0.259CS..EExtended strand (participates in β ladder)trans-110.7121.6168.3-175.60000108.7A302 S332C261-A302 WeakPolarHBondContact CA-O 3.23Å; C261-S332 PolarHBondContact N-O 3.27Å; C261-S332 PolarHBondContact O-N 2.63Å; C261-S332 PolarHBondContact O-OG 3.3Å
262V91.1Very high83Confident0 Ų044.6 Ų44.60%025%0.247CC..EExtended strand (participates in β ladder)trans-99.5122.5174.1-175.10000108.3L265 L275 F301 A302 L304 I329 R330 V331V262-L265 HydrophobicContact CG1-CD2 3.84Å; V262-L265 HydrophobicContact CG1-CG 4.42Å; V262-L275 HydrophobicContact CB-CD2 4.43Å; V262-L275 HydrophobicContact CG1-CD1 4.17Å; V262-L275 HydrophobicContact CG2-CD1 4.39Å; V262-L275 HydrophobicContact CG2-CD2 4.37Å; V262-F301 CarbonylContact O-C 3.58Å; V262-F301 WeakPolarHBondContact O-CA 3.37Å; V262-F301 WeakPolarHBondContact O-CB 3.47Å; V262-A302 HydrophobicContact CB-CB 4.47Å; V262-A302 PolarHBondContact N-O 2.76Å; V262-A302 PolarHBondContact O-N 2.93Å; V262-L304 HydrophobicContact CG2-CD1 3.75Å; V262-I329 HydrophobicContact CG1-CB 4.01Å; V262-I329 HydrophobicContact CG1-CD1 3.81Å; V262-I329 HydrophobicContact CG1-CG2 4.36Å; V262-R330 CarbonylContact C-O 3.56Å; V262-R330 VanDerWaalsContact CA-O 3.31Å; V262-R330 WeakPolarHBondContact CA-O 3.32Å; V262-V331 HydrophobicContact CG1-CG2 4.32Å; V262-V331 HydrophobicContact CG2-CG1 4.23Å; V262-V331 HydrophobicContact CG2-CG2 4.12Å
263D88.4Confident82.6Confident33 Ų3345.9 Ų45.918%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-124-177.8176.286.6-47.1000112.5L265 F301 R330D263-L265 PolarHBondContact O-N 3.25Å; D263-F301 HydrophobicContact CB-CB 4.25Å; D263-R330 PolarHBondContact N-O 2.78Å; D263-R330 PolarHBondContact O-N 3.31Å; D263-R330 VanDerWaalsContact O-N 3.09Å; D263-R330 VanDerWaalsContact OD1-CB 3.29Å; D263-R330 WeakPolarHBondContact OD1-CB 3.5Å; D263-R330 WeakPolarHBondContact OD1-CG 3.3Å; D263-R330 IonicContact OD1-CZ 3.95Å; D263-R330 IonicContact OD1-NE 3.67Å; D263-R330 PolarHBondContact OD1-NE 3.14Å; D263-R330 IonicContact OD1-NH2 3.01Å; D263-R330 IonicContact OD2-CZ 2.73Å; D263-R330 IonicContact OD2-NE 3.56Å; D263-R330 PolarHBondContact OD2-NE 2.77Å; D263-R330 IonicContact OD2-NH2 3.53Å; D263-R330 PolarHBondContact OD2-NH2 3.47Å
264Q84.4Confident82.2Confident67 Ų6744 Ų4431%0.31324%0.24SC..SBendtrans5919.6-167.8-61.7-167.766.100115.6R68R68-Q264 VanDerWaalsContact NH1-OE1 3.11Å
265L84.1Confident81.8Confident7 Ų739.4 Ų39.44%0.03722%0.218CC..  trans-52.8140.4176.8-65.5174.5000112.1V262 D263 L290 R300 A302 I329V262-L265 HydrophobicContact CG1-CD2 3.84Å; V262-L265 HydrophobicContact CG1-CG 4.42Å; D263-L265 PolarHBondContact O-N 3.25Å; L265-L290 HydrophobicContact CD1-CD2 4.14Å; L265-R300 VanDerWaalsContact O-CZ 3.3Å; L265-R300 PolarHBondContact O-NE 3.32Å; L265-R300 PolarHBondContact O-NH2 3.29Å; L265-A302 HydrophobicContact CD1-CB 4.06Å; L265-I329 HydrophobicContact CD2-CG2 3.84Å
266P77.1Confident81.4Confident5 Ų543.4 Ų43.43%0.03223%0.233CC..  trans-70.4153.117930.7-33.4000110.5S268 L269 T327P266-S268 PolarHBondContact O-N 3.22Å; P266-S268 VanDerWaalsContact O-N 3.16Å; P266-L269 HydrophobicContact CG-CB 3.85Å; P266-L269 HydrophobicContact CG-CD1 3.81Å; P266-L269 HydrophobicContact CG-CG 3.57Å; P266-L269 PolarHBondContact O-N 3.31Å; P266-T327 HydrophobicContact CB-CG2 3.89Å; P266-T327 VanDerWaalsContact CB-OG1 3.3Å; P266-T327 WeakPolarHBondContact CB-OG1 3.21Å; P266-T327 WeakPolarHBondContact CD-OG1 3.43Å; P266-T327 WeakPolarHBondContact CG-OG1 3.47Å
267P68.9Low80.8Confident106 Ų10645.8 Ų45.869%0.68825%0.248SC*.THydrogen-bonded Turntrans-66.9-13.1177.630-36000113.6
268S61Low80.1Confident78 Ų7846.6 Ų46.655%0.54525%0.254SS..THydrogen-bonded Turntrans-87.3-16.8177.948.30000114.6P266 L270P266-S268 PolarHBondContact O-N 3.22Å; P266-S268 VanDerWaalsContact O-N 3.16Å; S268-L270 PolarHBondContact O-N 2.86Å
269L62.3Low79.3Confident30 Ų3042 Ų4216%0.15723%0.234CC..  trans-85.196.8176.8-79.7-172.2000111P266 D274 L324P266-L269 HydrophobicContact CG-CB 3.85Å; P266-L269 HydrophobicContact CG-CD1 3.81Å; P266-L269 HydrophobicContact CG-CG 3.57Å; P266-L269 PolarHBondContact O-N 3.31Å; L269-D274 HydrophobicContact CD2-CB 3.55Å; L269-L324 HydrophobicContact CD1-CB 4.02Å; L269-L324 HydrophobicContact CD1-CD1 4Å; L269-L324 HydrophobicContact CD1-CD2 4.04Å; L269-L324 HydrophobicContact CD1-CG 4.26Å
270L60.3Low78.3Confident100 Ų10045 Ų4552%0.52426%0.26SS..  trans-94.2-17.1-179-59.4170.6000112.9S268 L290 F298S268-L270 PolarHBondContact O-N 2.86Å; L270-L290 WeakPolarHBondContact O-CD1 3.4Å; L270-F298 HydrophobicContact CB-CE1 4.47Å; L270-F298 HydrophobicContact CB-CZ 4.15Å; L270-F298 HydrophobicContact CD2-CD2 3.92Å; L270-F298 HydrophobicContact CD2-CE1 4.26Å; L270-F298 HydrophobicContact CD2-CE2 3.49Å; L270-F298 VanDerWaalsContact CD2-CE2 3.49Å; L270-F298 HydrophobicContact CD2-CG 4.49Å; L270-F298 HydrophobicContact CD2-CZ 3.68Å; L270-F298 WeakPolarHBondContact O-CE1 3.38Å
271T71.3Confident77.4Confident74 Ų7450.5 Ų50.545%0.45429%0.289SS..  trans-111.6133-170.7-20.60000112.8Q273 D274T271-Q273 HydrophobicContact CG2-CB 3.99Å; T271-Q273 PolarHBondContact O-N 3.1Å; T271-D274 WeakPolarHBondContact CB-OD2 3.34Å; T271-D274 PolarHBondContact O-N 2.83Å; T271-D274 PolarHBondContact OG1-OD2 3.41Å
272A73.6Confident76.7Confident21 Ų2150.9 Ų50.917%0.17429%0.291CS..Hα-helixtrans-64.4-16.2170.300000113.2R276 L290A272-R276 WeakPolarHBondContact O-CG 3.28Å; A272-R276 PolarHBondContact O-N 3.31Å; A272-L290 HydrophobicContact CB-CG 4.16Å
273Q78.6Confident76.3Confident85 Ų8554.1 Ų54.140%0.39731%0.306SS..Hα-helixtrans-70.5-38.3177-170.561.726.900112T271 L275 R276 N277T271-Q273 HydrophobicContact CG2-CB 3.99Å; T271-Q273 PolarHBondContact O-N 3.1Å; Q273-L275 VanDerWaalsContact C-N 3.3Å; Q273-L275 PolarHBondContact O-N 3.31Å; Q273-R276 WeakPolarHBondContact O-CB 3.02Å; Q273-R276 PolarHBondContact O-N 3.28Å; Q273-R276 VanDerWaalsContact O-N 3.09Å; Q273-R276 VanDerWaalsContact OE1-CZ 3.31Å; Q273-N277 PolarHBondContact NE2-OD1 3.02Å; Q273-N277 PolarHBondContact O-N 3.22Å; Q273-N277 PolarHBondContact O-OD1 3.13Å
274D79.9Confident76.1Confident51 Ų5157.7 Ų57.727%0.27333%0.334SS..Hα-helixtrans-64.2-39.8-177.9-50.7-43.3000110.7L269 T271 N277 A278L269-D274 HydrophobicContact CD2-CB 3.55Å; T271-D274 WeakPolarHBondContact CB-OD2 3.34Å; T271-D274 PolarHBondContact O-N 2.83Å; T271-D274 PolarHBondContact OG1-OD2 3.41Å; D274-N277 PolarHBondContact O-N 2.99Å; D274-A278 WeakPolarHBondContact O-CB 3.4Å; D274-A278 PolarHBondContact O-N 2.92Å
275L81.6Confident76.4Confident2 Ų255.6 Ų55.61%0.0133%0.326CS..Hα-helixtrans-68.8-33.6174.1-174.559.3000112.8V262 Q273 L279 L290 A302 L304 L324 I329V262-L275 HydrophobicContact CB-CD2 4.43Å; V262-L275 HydrophobicContact CG1-CD1 4.17Å; V262-L275 HydrophobicContact CG2-CD1 4.39Å; V262-L275 HydrophobicContact CG2-CD2 4.37Å; Q273-L275 VanDerWaalsContact C-N 3.3Å; Q273-L275 PolarHBondContact O-N 3.31Å; L275-L279 HydrophobicContact CD1-CD1 4.18Å; L275-L279 HydrophobicContact CG-CD1 4.4Å; L275-L279 PolarHBondContact O-N 3.18Å; L275-L290 HydrophobicContact CD2-CD2 4.19Å; L275-A302 HydrophobicContact CD2-CB 3.48Å; L275-A302 VanDerWaalsContact CD2-CB 3.48Å; L275-L304 HydrophobicContact CD2-CD1 3.93Å; L275-L324 HydrophobicContact CD1-CD1 4.02Å; L275-I329 HydrophobicContact CD1-CD1 4.37Å
276R82.6Confident76.7Confident87 Ų8760.4 Ų60.433%0.32836%0.355SS..Hα-helixtrans-67.5-43.9171.4-75.7-172.9-69.3-98.78.2111.5A272 Q273 A278 L279 A280 P285 C288A272-R276 WeakPolarHBondContact O-CG 3.28Å; A272-R276 PolarHBondContact O-N 3.31Å; Q273-R276 WeakPolarHBondContact O-CB 3.02Å; Q273-R276 PolarHBondContact O-N 3.28Å; Q273-R276 VanDerWaalsContact O-N 3.09Å; Q273-R276 VanDerWaalsContact OE1-CZ 3.31Å; R276-A278 VanDerWaalsContact C-N 3.33Å; R276-A278 PolarHBondContact O-N 3.07Å; R276-L279 PolarHBondContact O-N 2.89Å; R276-A280 PolarHBondContact O-N 2.87Å; R276-A280 VanDerWaalsContact O-N 3.08Å; R276-P285 HydrophobicContact CG-CG 4.25Å; R276-C288 HydrophobicContact CG-CB 3.92Å; R276-C288 PolarHBondContact NH1-O 2.96Å
277N81.4Confident77.4Confident88 Ų8861.3 Ų61.347%0.47136%0.359SS..Hα-helixtrans-61.2-42.9177.9-64.2-7.4000110.8Q273 D274 L279 A280Q273-N277 PolarHBondContact NE2-OD1 3.02Å; Q273-N277 PolarHBondContact O-N 3.22Å; Q273-N277 PolarHBondContact O-OD1 3.13Å; D274-N277 PolarHBondContact O-N 2.99Å; N277-L279 PolarHBondContact O-N 2.98Å; N277-A280 VanDerWaalsContact O-CB 3.24Å; N277-A280 WeakPolarHBondContact O-CB 3.29Å; N277-A280 PolarHBondContact O-N 2.95Å; N277-A280 VanDerWaalsContact O-N 3.17Å
278A78.3Confident78.4Confident20 Ų2056.9 Ų56.917%0.16533%0.33CS..THydrogen-bonded Turntrans-66.3-16.5179.400000115.5D274 R276 R322 L324D274-A278 WeakPolarHBondContact O-CB 3.4Å; D274-A278 PolarHBondContact O-N 2.92Å; R276-A278 VanDerWaalsContact C-N 3.33Å; R276-A278 PolarHBondContact O-N 3.07Å; A278-R322 PolarHBondContact O-NH1 2.95Å; A278-L324 HydrophobicContact CB-CD1 3.66Å; A278-L324 HydrophobicContact CB-CD2 3.69Å; A278-L324 HydrophobicContact CB-CG 3.87Å
279L77.7Confident79.8Confident3 Ų357.2 Ų57.22%0.01632%0.323CS..THydrogen-bonded Turntrans-111.41.7178.4-67.6167.6000112.2L275 R276 N277 D281 T282 L304L275-L279 HydrophobicContact CD1-CD1 4.18Å; L275-L279 HydrophobicContact CG-CD1 4.4Å; L275-L279 PolarHBondContact O-N 3.18Å; R276-L279 PolarHBondContact O-N 2.89Å; N277-L279 PolarHBondContact O-N 2.98Å; L279-D281 PolarHBondContact O-N 2.87Å; L279-T282 PolarHBondContact O-N 3.17Å; L279-T282 PolarHBondContact O-OG1 2.89Å; L279-L304 HydrophobicContact CD1-CD2 3.38Å
280A73.3Confident81Confident68 Ų6856.5 Ų56.556%0.56232%0.319SS*.THydrogen-bonded Turntrans-61-28.1-177.200000113.1R276 N277 T282R276-A280 PolarHBondContact O-N 2.87Å; R276-A280 VanDerWaalsContact O-N 3.08Å; N277-A280 VanDerWaalsContact O-CB 3.24Å; N277-A280 WeakPolarHBondContact O-CB 3.29Å; N277-A280 PolarHBondContact O-N 2.95Å; N277-A280 VanDerWaalsContact O-N 3.17Å; A280-T282 PolarHBondContact O-N 2.88Å
281D75.9Confident82.4Confident118 Ų11851.8 Ų51.863%0.63130%0.295SS*.THydrogen-bonded Turntrans-58.3-14.1172.9-50.91000114.3L279 R322L279-D281 PolarHBondContact O-N 2.87Å; D281-R322 IonicContact OD2-CZ 2.82Å; D281-R322 IonicContact OD2-NH1 3.87Å; D281-R322 PolarHBondContact OD2-NH1 2.88Å; D281-R322 IonicContact OD2-NH2 2.72Å; D281-R322 PolarHBondContact OD2-NH2 3.22Å
282T79.5Confident83Confident26 Ų2652.7 Ų52.716%0.1629%0.294CS..SBendtrans-111.6-102.5-172.864.10000111.6L279 A280 F318L279-T282 PolarHBondContact O-N 3.17Å; L279-T282 PolarHBondContact O-OG1 2.89Å; A280-T282 PolarHBondContact O-N 2.88Å; T282-F318 HydrophobicContact CG2-CB 3.77Å; T282-F318 HydrophobicContact CG2-CD2 4.32Å; T282-F318 HydrophobicContact CG2-CG 4.37Å
283H82.9Confident83Confident67 Ų6752.2 Ų52.231%0.3129%0.291SS..  trans-128.9145.9174.5-59-64000109.2P285 F306 M311H283-P285 WeakPolarHBondContact O-CD 3.44Å; H283-F306 HydrophobicContact CB-CD1 4.19Å; H283-F306 HydrophobicContact CB-CE1 4.34Å; H283-F306 WeakPolarHBondContact O-CE1 3.49Å; H283-M311 HydrophobicContact CB-CB 4.26Å; H283-M311 HydrophobicContact CB-CG 4.3Å
284S84.4Confident82.7Confident109 Ų10958 Ų5876%0.76232%0.318SS*.  trans-69.4124.5174.644.90000110.4
285P89.3Confident82.3Confident23 Ų2361.1 Ų61.115%0.14934%0.335CS..  trans-74.1133.5177.830-34.7000110.6R276 H283 F287 C288 L304 E305 F306R276-P285 HydrophobicContact CG-CG 4.25Å; H283-P285 WeakPolarHBondContact O-CD 3.44Å; P285-F287 VanDerWaalsContact C-N 3.26Å; P285-F287 PolarHBondContact O-N 2.65Å; P285-C288 HydrophobicContact CB-CB 4.27Å; P285-C288 HydrophobicContact CG-CB 3.84Å; P285-L304 HydrophobicContact CB-CB 4.33Å; P285-L304 HydrophobicContact CB-CD2 4.08Å; P285-L304 HydrophobicContact CB-CG 4.42Å; P285-L304 HydrophobicContact CG-CD2 4.09Å; P285-E305 CarbonylContact C-O 3.6Å; P285-E305 WeakPolarHBondContact CA-O 3.39Å; P285-F306 HydrophobicContact CB-CD1 4.41Å; P285-F306 HydrophobicContact CB-CE1 3.99Å; P285-F306 HydrophobicContact CB-CE2 4.49Å; P285-F306 HydrophobicContact CB-CZ 4.03Å
286V90.9Very high81.7Confident108 Ų10863 Ų6366%0.65535%0.354SS*.SBendtrans-65.1-33.1177.5-178.50000111E305 A307V286-E305 PolarHBondContact N-O 3.32Å; V286-A307 HydrophobicContact CG2-CB 4.16Å
287F91.3Very high81.2Confident23 Ų2361.2 Ų61.210%0.10136%0.355CS..EExtended strand (participates in β ladder)trans-135.1137.6170.7172.6-100.3000109.1P285 Q289 V303 L304 E305 R341 L344P285-F287 VanDerWaalsContact C-N 3.26Å; P285-F287 PolarHBondContact O-N 2.65Å; F287-Q289 HydrophobicContact CE1-CB 4.01Å; F287-Q289 HydrophobicContact CE2-CB 3.88Å; F287-Q289 HydrophobicContact CZ-CB 3.46Å; F287-Q289 VanDerWaalsContact CZ-CB 3.46Å; F287-Q289 HydrophobicContact CZ-CG 4.34Å; F287-Q289 VanDerWaalsContact CZ-OE1 3.25Å; F287-V303 HydrophobicContact CE1-CG1 4.44Å; F287-L304 CarbonylContact O-C 3.58Å; F287-L304 WeakPolarHBondContact O-CA 3.19Å; F287-E305 HydrophobicContact CB-CB 3.95Å; F287-E305 PolarHBondContact N-O 2.79Å; F287-E305 PolarHBondContact O-N 3.15Å; F287-R341 HydrophobicContact CD2-CG 3.87Å; F287-R341 HydrophobicContact CE1-CG 4.42Å; F287-R341 HydrophobicContact CE2-CG 3.4Å; F287-R341 HydrophobicContact CZ-CB 4.41Å; F287-R341 HydrophobicContact CZ-CG 3.7Å; F287-L344 HydrophobicContact CE1-CD2 4.47Å; F287-L344 HydrophobicContact CZ-CD2 4.07Å
288C90.5Very high80.6Confident14 Ų1461.1 Ų61.110%0.09535%0.351CS..EExtended strand (participates in β ladder)trans-151.3113.2174172.80000109.1R276 P285 L304R276-C288 HydrophobicContact CG-CB 3.92Å; R276-C288 PolarHBondContact NH1-O 2.96Å; P285-C288 HydrophobicContact CB-CB 4.27Å; P285-C288 HydrophobicContact CG-CB 3.84Å; C288-L304 HydrophobicContact CB-CD2 4.47Å; C288-L304 HydrophobicContact CB-CG 3.97Å
289Q89.5Confident80.3Confident84 Ų8462.7 Ų62.739%0.39335%0.353SS..EExtended strand (participates in β ladder)trans-143.1136.2-177.2-176175.1-8.100111.5F287 A302 V303 L344F287-Q289 HydrophobicContact CE1-CB 4.01Å; F287-Q289 HydrophobicContact CE2-CB 3.88Å; F287-Q289 HydrophobicContact CZ-CB 3.46Å; F287-Q289 VanDerWaalsContact CZ-CB 3.46Å; F287-Q289 HydrophobicContact CZ-CG 4.34Å; F287-Q289 VanDerWaalsContact CZ-OE1 3.25Å; Q289-A302 WeakPolarHBondContact O-CA 3.38Å; Q289-V303 PolarHBondContact N-O 2.74Å; Q289-V303 VanDerWaalsContact N-O 3.08Å; Q289-V303 PolarHBondContact O-N 2.77Å; Q289-L344 HydrophobicContact CB-CD2 3.89Å; Q289-L344 HydrophobicContact CG-CD2 3.68Å
290L89.2Confident80.4Confident15 Ų1568.6 Ų68.68%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-73.2144.2173.3-56.9-176.9000110.8L265 L270 A272 L275 Q292 F298 A302L265-L290 HydrophobicContact CD1-CD2 4.14Å; L270-L290 WeakPolarHBondContact O-CD1 3.4Å; A272-L290 HydrophobicContact CB-CG 4.16Å; L275-L290 HydrophobicContact CD2-CD2 4.19Å; L290-Q292 PolarHBondContact O-N 2.94Å; L290-F298 HydrophobicContact CD1-CD1 4.26Å; L290-F298 HydrophobicContact CD1-CE1 4.01Å; L290-A302 HydrophobicContact CD2-CB 3.7Å
291A88.2Confident81.2Confident1 Ų166.1 Ų66.11%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-77.9114.6174.900000111.2R299 F301 L344 I348A291-R299 HydrophobicContact CB-CB 4.05Å; A291-R299 PolarHBondContact O-N 2.94Å; A291-F301 HydrophobicContact CB-CD1 3.76Å; A291-F301 HydrophobicContact CB-CD2 3.7Å; A291-F301 HydrophobicContact CB-CE1 3.54Å; A291-F301 HydrophobicContact CB-CE2 3.49Å; A291-F301 VanDerWaalsContact CB-CE2 3.49Å; A291-F301 HydrophobicContact CB-CG 3.84Å; A291-F301 HydrophobicContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-O 3.23Å; A291-F301 WeakPolarHBondContact CB-O 3.34Å; A291-F301 PolarHBondContact N-O 3Å; A291-L344 HydrophobicContact CB-CD1 3.83Å; A291-I348 HydrophobicContact CB-CD1 4.19Å; A291-I348 HydrophobicContact CB-CG1 4.07Å
292Q85.3Confident81.9Confident93 Ų9360.5 Ų60.544%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-112.1143.3175.4-69.7172-2000109.9L290 S297L290-Q292 PolarHBondContact O-N 2.94Å; Q292-S297 CarbonylContact C-O 3.53Å; Q292-S297 WeakPolarHBondContact CA-O 3.28Å
293G73.4Confident82.5Confident11 Ų1159.3 Ų59.311%0.11331%0.314CS..  trans-74.4173.1171.900000113.2D295 G296 S297G293-D295 VanDerWaalsContact CA-OD1 3.3Å; G293-D295 WeakPolarHBondContact CA-OD1 3.14Å; G293-D295 PolarHBondContact O-N 3.35Å; G293-G296 WeakPolarHBondContact O-CA 3.3Å; G293-G296 PolarHBondContact O-N 3.24Å; G293-S297 PolarHBondContact N-O 3.41Å
294Q72.6Confident83Confident207 Ų20756.1 Ų56.197%0.96730%0.299SS*.THydrogen-bonded Turntrans-65.3-25172.7-66.1177.3-14.100112G296Q294-G296 VanDerWaalsContact C-N 3.3Å
295D71.7Confident83.5Confident117 Ų11753 Ų5363%0.62627%0.272SS*.THydrogen-bonded Turntrans-82.82.3170.957.4-48.2000113.6G293 S297G293-D295 VanDerWaalsContact CA-OD1 3.3Å; G293-D295 WeakPolarHBondContact CA-OD1 3.14Å; G293-D295 PolarHBondContact O-N 3.35Å; D295-S297 VanDerWaalsContact CG-OG 3.24Å; D295-S297 PolarHBondContact O-N 3.43Å; D295-S297 PolarHBondContact OD1-OG 2.92Å; D295-S297 WeakPolarHBondContact OD2-CB 3.46Å; D295-S297 PolarHBondContact OD2-OG 3.4Å
296G68.3Low83.7Confident40 Ų4052 Ų5241%0.41227%0.266SS..  trans75.1-3.3-17700000115.1G293 Q294G293-G296 WeakPolarHBondContact O-CA 3.3Å; G293-G296 PolarHBondContact O-N 3.24Å; Q294-G296 VanDerWaalsContact C-N 3.3Å
297S71.6Confident83.8Confident51 Ų5149.5 Ų49.536%0.35726%0.256SS..  trans-65.2140-178.363.10000112.8Q292 G293 D295 R299Q292-S297 CarbonylContact C-O 3.53Å; Q292-S297 WeakPolarHBondContact CA-O 3.28Å; G293-S297 PolarHBondContact N-O 3.41Å; D295-S297 VanDerWaalsContact CG-OG 3.24Å; D295-S297 PolarHBondContact O-N 3.43Å; D295-S297 PolarHBondContact OD1-OG 2.92Å; D295-S297 WeakPolarHBondContact OD2-CB 3.46Å; D295-S297 PolarHBondContact OD2-OG 3.4Å; S297-R299 PolarHBondContact O-N 2.79Å
298F69.6Low83.9Confident86 Ų8650.6 Ų50.638%0.37727%0.265SS..EExtended strand (participates in β ladder)trans-74.8113.9178.5-68.5-92.3000110.4L270 L290 R300L270-F298 HydrophobicContact CB-CE1 4.47Å; L270-F298 HydrophobicContact CB-CZ 4.15Å; L270-F298 HydrophobicContact CD2-CD2 3.92Å; L270-F298 HydrophobicContact CD2-CE1 4.26Å; L270-F298 HydrophobicContact CD2-CE2 3.49Å; L270-F298 VanDerWaalsContact CD2-CE2 3.49Å; L270-F298 HydrophobicContact CD2-CG 4.49Å; L270-F298 HydrophobicContact CD2-CZ 3.68Å; L270-F298 WeakPolarHBondContact O-CE1 3.38Å; L290-F298 HydrophobicContact CD1-CD1 4.26Å; L290-F298 HydrophobicContact CD1-CE1 4.01Å; F298-R300 PolarHBondContact O-N 3.03Å; F298-R300 VanDerWaalsContact O-N 3.17Å
299R70.9Confident84Confident52 Ų5250.7 Ų50.720%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-80.68.9-176.9-72173.2166.5-112.17.4114.3A291 S297 F301 T352A291-R299 HydrophobicContact CB-CB 4.05Å; A291-R299 PolarHBondContact O-N 2.94Å; S297-R299 PolarHBondContact O-N 2.79Å; R299-F301 HydrophobicContact CB-CD1 4.03Å; R299-F301 HydrophobicContact CB-CE1 3.85Å; R299-F301 WeakPolarHBondContact O-CD1 3.45Å; R299-F301 PolarHBondContact O-N 2.89Å; R299-T352 VanDerWaalsContact CZ-OG1 3.27Å; R299-T352 PolarHBondContact NH1-OG1 2.59Å; R299-T352 PolarHBondContact NH2-OG1 3.1Å
300R80.9Confident84.2Confident127 Ų12753.9 Ų53.948%0.47928%0.282SS..EExtended strand (participates in β ladder)trans58.822.2175.3-55.9-171.564.7-175-3.4115.6L265 F298L265-R300 VanDerWaalsContact O-CZ 3.3Å; L265-R300 PolarHBondContact O-NE 3.32Å; L265-R300 PolarHBondContact O-NH2 3.29Å; F298-R300 PolarHBondContact O-N 3.03Å; F298-R300 VanDerWaalsContact O-N 3.17Å
301F89.1Confident84.3Confident17 Ų1756 Ų568%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-132.5166165.174-87.6000111.4V262 D263 A291 R299 V303 L344 L347 I348V262-F301 CarbonylContact O-C 3.58Å; V262-F301 WeakPolarHBondContact O-CA 3.37Å; V262-F301 WeakPolarHBondContact O-CB 3.47Å; D263-F301 HydrophobicContact CB-CB 4.25Å; A291-F301 HydrophobicContact CB-CD1 3.76Å; A291-F301 HydrophobicContact CB-CD2 3.7Å; A291-F301 HydrophobicContact CB-CE1 3.54Å; A291-F301 HydrophobicContact CB-CE2 3.49Å; A291-F301 VanDerWaalsContact CB-CE2 3.49Å; A291-F301 HydrophobicContact CB-CG 3.84Å; A291-F301 HydrophobicContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-O 3.23Å; A291-F301 WeakPolarHBondContact CB-O 3.34Å; A291-F301 PolarHBondContact N-O 3Å; R299-F301 HydrophobicContact CB-CD1 4.03Å; R299-F301 HydrophobicContact CB-CE1 3.85Å; R299-F301 WeakPolarHBondContact O-CD1 3.45Å; R299-F301 PolarHBondContact O-N 2.89Å; F301-V303 HydrophobicContact CE2-CG2 4.39Å; F301-L344 HydrophobicContact CE2-CD1 4.17Å; F301-L347 HydrophobicContact CE2-CB 3.71Å; F301-L347 HydrophobicContact CE2-CD1 4.2Å; F301-L347 HydrophobicContact CZ-CB 3.86Å; F301-I348 HydrophobicContact CZ-CG1 3.84Å
302A90.6Very high84.5Confident0 Ų056 Ų560%029%0.292CS..EExtended strand (participates in β ladder)trans-139.8155.8176.400000110.4C261 V262 L265 L275 Q289 L290 L304C261-A302 WeakPolarHBondContact CA-O 3.23Å; V262-A302 HydrophobicContact CB-CB 4.47Å; V262-A302 PolarHBondContact N-O 2.76Å; V262-A302 PolarHBondContact O-N 2.93Å; L265-A302 HydrophobicContact CD1-CB 4.06Å; L275-A302 HydrophobicContact CD2-CB 3.48Å; L275-A302 VanDerWaalsContact CD2-CB 3.48Å; Q289-A302 WeakPolarHBondContact O-CA 3.38Å; L290-A302 HydrophobicContact CD2-CB 3.7Å; A302-L304 HydrophobicContact CB-CD1 4.39Å
303V93.6Very high84.9Confident0 Ų052.9 Ų52.90%028%0.277CS..EExtended strand (participates in β ladder)trans-119.2133.41741770000110.2L260 F287 Q289 F301 M343 L344 L347L260-V303 WeakPolarHBondContact O-CA 3.33Å; F287-V303 HydrophobicContact CE1-CG1 4.44Å; Q289-V303 PolarHBondContact N-O 2.74Å; Q289-V303 VanDerWaalsContact N-O 3.08Å; Q289-V303 PolarHBondContact O-N 2.77Å; F301-V303 HydrophobicContact CE2-CG2 4.39Å; V303-M343 HydrophobicContact CG1-CB 4.31Å; V303-M343 HydrophobicContact CG1-CG 4.32Å; V303-L344 HydrophobicContact CB-CB 4.1Å; V303-L344 HydrophobicContact CB-CD1 4.04Å; V303-L344 HydrophobicContact CG2-CB 4.06Å; V303-L344 HydrophobicContact CG2-CD1 3.72Å; V303-L347 HydrophobicContact CG2-CD1 3.77Å
304L93Very high85.8Confident0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-120.4152.7175.6-69.475.1000110.4C259 L260 V262 L275 L279 P285 F287 C288 A302 F306C259-L304 CarbonylContact C-O 3.41Å; C259-L304 WeakPolarHBondContact CA-O 3.14Å; L260-L304 PolarHBondContact N-O 3.47Å; L260-L304 PolarHBondContact O-N 2.84Å; V262-L304 HydrophobicContact CG2-CD1 3.75Å; L275-L304 HydrophobicContact CD2-CD1 3.93Å; L279-L304 HydrophobicContact CD1-CD2 3.38Å; P285-L304 HydrophobicContact CB-CB 4.33Å; P285-L304 HydrophobicContact CB-CD2 4.08Å; P285-L304 HydrophobicContact CB-CG 4.42Å; P285-L304 HydrophobicContact CG-CD2 4.09Å; F287-L304 CarbonylContact O-C 3.58Å; F287-L304 WeakPolarHBondContact O-CA 3.19Å; C288-L304 HydrophobicContact CB-CD2 4.47Å; C288-L304 HydrophobicContact CB-CG 3.97Å; A302-L304 HydrophobicContact CB-CD1 4.39Å; L304-F306 HydrophobicContact CB-CE2 3.96Å; L304-F306 HydrophobicContact CB-CZ 4.48Å; L304-F306 HydrophobicContact CD2-CE2 4.41Å; L304-F306 HydrophobicContact CD2-CZ 4.17Å
305E94.9Very high86.6Confident43 Ų4345.1 Ų45.120%0.20124%0.242CC..EExtended strand (participates in β ladder)trans-134.7137.4173.7-171.8172.2-165.500110.1K258 P285 V286 F287 P339 G340K258-E305 WeakPolarHBondContact O-CA 3.44Å; P285-E305 CarbonylContact C-O 3.6Å; P285-E305 WeakPolarHBondContact CA-O 3.39Å; V286-E305 PolarHBondContact N-O 3.32Å; F287-E305 HydrophobicContact CB-CB 3.95Å; F287-E305 PolarHBondContact N-O 2.79Å; F287-E305 PolarHBondContact O-N 3.15Å; E305-P339 WeakPolarHBondContact OE1-CA 3.29Å; E305-P339 WeakPolarHBondContact OE1-CB 3.34Å; E305-G340 VanDerWaalsContact CD-N 3.32Å; E305-G340 PolarHBondContact OE2-N 3.49Å
306F93.8Very high87.6Confident3 Ų340.6 Ų40.61%0.01322%0.217CC..  trans-116.1159.4179.4-62.4-96.8000111K258 L260 H283 P285 L304 T308 M311 A312 A315K258-F306 PolarHBondContact O-N 3.17Å; L260-F306 HydrophobicContact CD1-CD2 4.39Å; L260-F306 HydrophobicContact CD1-CE2 3.61Å; L260-F306 HydrophobicContact CD1-CZ 4.26Å; L260-F306 HydrophobicContact CG-CD2 4.39Å; L260-F306 HydrophobicContact CG-CE2 3.93Å; H283-F306 HydrophobicContact CB-CD1 4.19Å; H283-F306 HydrophobicContact CB-CE1 4.34Å; H283-F306 WeakPolarHBondContact O-CE1 3.49Å; P285-F306 HydrophobicContact CB-CD1 4.41Å; P285-F306 HydrophobicContact CB-CE1 3.99Å; P285-F306 HydrophobicContact CB-CE2 4.49Å; P285-F306 HydrophobicContact CB-CZ 4.03Å; L304-F306 HydrophobicContact CB-CE2 3.96Å; L304-F306 HydrophobicContact CB-CZ 4.48Å; L304-F306 HydrophobicContact CD2-CE2 4.41Å; L304-F306 HydrophobicContact CD2-CZ 4.17Å; F306-T308 PolarHBondContact O-N 3.03Å; F306-M311 HydrophobicContact CB-CB 3.93Å; F306-M311 HydrophobicContact CD1-CB 4.23Å; F306-M311 HydrophobicContact CG-CB 4.37Å; F306-A312 HydrophobicContact CB-CB 4.22Å; F306-A312 HydrophobicContact CD2-CB 3.82Å; F306-A312 HydrophobicContact CG-CB 4.24Å; F306-A315 HydrophobicContact CD1-CB 4.45Å; F306-A315 HydrophobicContact CE1-CB 3.64Å; F306-A315 HydrophobicContact CE2-CB 4.06Å; F306-A315 HydrophobicContact CZ-CB 3.41Å; F306-A315 VanDerWaalsContact CZ-CB 3.41Å
307A92.6Very high88.6Confident55 Ų5546.2 Ų46.246%0.45523%0.226SC..SBendtrans-64.6-39.5-177.900000112.6K258 V286 M311K258-A307 WeakPolarHBondContact CE-O 3.38Å; K258-A307 PolarHBondContact NZ-O 3.25Å; V286-A307 HydrophobicContact CG2-CB 4.16Å; A307-M311 HydrophobicContact CB-SD 4.05Å
308T93.3Very high89.3Confident46 Ų4649.6 Ų49.628%0.28223%0.234SC..SBendtrans-120.4161.7175.478.50000111.3F306 E310 M311 A312F306-T308 PolarHBondContact O-N 3.03Å; T308-E310 VanDerWaalsContact C-N 3.32Å; T308-E310 PolarHBondContact OG1-N 2.65Å; T308-M311 HydrophobicContact CG2-SD 4.35Å; T308-M311 WeakPolarHBondContact OG1-CG 3.21Å; T308-M311 PolarHBondContact OG1-N 2.79Å; T308-M311 VanDerWaalsContact OG1-N 3.14Å; T308-A312 PolarHBondContact O-N 3.06Å
309A92.7Very high90.1Very high17 Ų1745.5 Ų45.514%0.1422%0.216CC..Hα-helixtrans-75.7-22.9176.200000112.6H256 K258 A312 E313H256-A309 HydrophobicContact CB-CB 3.61Å; H256-A309 VanDerWaalsContact O-CB 3.29Å; H256-A309 WeakPolarHBondContact O-CB 3.21Å; K258-A309 HydrophobicContact CG-CB 4.31Å; A309-A312 PolarHBondContact O-N 3.21Å; A309-E313 PolarHBondContact O-N 3.42Å
310E92.3Very high91Very high150 Ų15045 Ų4570%0.70122%0.217SC*.Hα-helixtrans-67-46172.1-67.2147.7-16000110.9T308 A312 E313 V314T308-E310 VanDerWaalsContact C-N 3.32Å; T308-E310 PolarHBondContact OG1-N 2.65Å; E310-A312 PolarHBondContact O-N 3.17Å; E310-E313 PolarHBondContact O-N 3.27Å; E310-V314 WeakPolarHBondContact O-CG2 3.43Å; E310-V314 PolarHBondContact O-N 3.1Å
311M92.4Very high91.2Very high61 Ų6140.7 Ų40.730%0.321%0.213SC..Hα-helixtrans-58.3-38.8174.4-70.8172.6177.800111.5H283 F306 A307 T308 A315H283-M311 HydrophobicContact CB-CB 4.26Å; H283-M311 HydrophobicContact CB-CG 4.3Å; F306-M311 HydrophobicContact CB-CB 3.93Å; F306-M311 HydrophobicContact CD1-CB 4.23Å; F306-M311 HydrophobicContact CG-CB 4.37Å; A307-M311 HydrophobicContact CB-SD 4.05Å; T308-M311 HydrophobicContact CG2-SD 4.35Å; T308-M311 WeakPolarHBondContact OG1-CG 3.21Å; T308-M311 PolarHBondContact OG1-N 2.79Å; T308-M311 VanDerWaalsContact OG1-N 3.14Å; M311-A315 VanDerWaalsContact O-CB 3.23Å; M311-A315 WeakPolarHBondContact O-CB 3.28Å; M311-A315 PolarHBondContact O-N 2.78Å
312A93.3Very high91Very high0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-68.3-35.8173.900000112.7L260 F306 T308 A309 E310 Q316L260-A312 HydrophobicContact CD2-CB 4.2Å; L260-A312 HydrophobicContact CG-CB 4.34Å; F306-A312 HydrophobicContact CB-CB 4.22Å; F306-A312 HydrophobicContact CD2-CB 3.82Å; F306-A312 HydrophobicContact CG-CB 4.24Å; T308-A312 PolarHBondContact O-N 3.06Å; A309-A312 PolarHBondContact O-N 3.21Å; E310-A312 PolarHBondContact O-N 3.17Å; A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 2.92Å
313E92.4Very high90.7Very high27 Ų2748.7 Ų48.713%0.12625%0.251CS..Hα-helixtrans-67.4-44175-176167.7146.200111.9S203 S205 K210 A309 E310 Q316 R317 F333S203-E313 WeakPolarHBondContact CB-OE1 3.37Å; S203-E313 PolarHBondContact OG-OE1 3.29Å; S205-E313 PolarHBondContact OG-OE1 2.87Å; K210-E313 WeakPolarHBondContact CE-OE2 3.27Å; K210-E313 IonicContact NZ-OE2 3.18Å; K210-E313 PolarHBondContact NZ-OE2 3.36Å; A309-E313 PolarHBondContact O-N 3.42Å; E310-E313 PolarHBondContact O-N 3.27Å; E313-Q316 PolarHBondContact O-N 3Å; E313-R317 WeakPolarHBondContact O-CB 3.45Å; E313-R317 PolarHBondContact O-N 3.48Å; E313-F333 HydrophobicContact CB-CE1 4.4Å; E313-F333 HydrophobicContact CB-CZ 4.32Å; E313-F333 HydrophobicContact CG-CZ 4.38Å
314V91.4Very high90.1Very high55 Ų5549.8 Ų49.833%0.33326%0.256SS..Hα-helixtrans-61.7-49.3174173.40000110.8E310 Q316 R317 F318E310-V314 WeakPolarHBondContact O-CG2 3.43Å; E310-V314 PolarHBondContact O-N 3.1Å; V314-Q316 VanDerWaalsContact C-N 3.33Å; V314-Q316 PolarHBondContact O-N 2.9Å; V314-R317 PolarHBondContact O-N 3.04Å; V314-F318 HydrophobicContact CG1-CD2 3.82Å; V314-F318 HydrophobicContact CG1-CE2 4.03Å; V314-F318 WeakPolarHBondContact O-CD2 3.33Å; V314-F318 PolarHBondContact O-N 3.37Å
315A91.3Very high89.2Confident1 Ų152.4 Ų52.41%0.00828%0.283CS..Hα-helixtrans-64.9-32.8179.200000113.1L260 F306 M311 G319L260-A315 HydrophobicContact CD1-CB 4.14Å; F306-A315 HydrophobicContact CD1-CB 4.45Å; F306-A315 HydrophobicContact CE1-CB 3.64Å; F306-A315 HydrophobicContact CE2-CB 4.06Å; F306-A315 HydrophobicContact CZ-CB 3.41Å; F306-A315 VanDerWaalsContact CZ-CB 3.41Å; M311-A315 VanDerWaalsContact O-CB 3.23Å; M311-A315 WeakPolarHBondContact O-CB 3.28Å; M311-A315 PolarHBondContact O-N 2.78Å; A315-G319 WeakPolarHBondContact O-CA 3.33Å; A315-G319 PolarHBondContact O-N 2.7Å
316Q92Very high88.5Confident22 Ų2253.4 Ų53.410%0.10331%0.305CS..Hα-helixtrans-69.2-46172.2-169.7-79.7-41.500111.2L260 A312 E313 V314 F318 G319 D320 V331 F333L260-Q316 HydrophobicContact CD1-CB 3.97Å; L260-Q316 HydrophobicContact CD2-CB 3.95Å; L260-Q316 HydrophobicContact CD2-CG 4.32Å; A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 2.92Å; E313-Q316 PolarHBondContact O-N 3Å; V314-Q316 VanDerWaalsContact C-N 3.33Å; V314-Q316 PolarHBondContact O-N 2.9Å; Q316-F318 PolarHBondContact O-N 3.48Å; Q316-G319 PolarHBondContact O-N 2.79Å; Q316-D320 WeakPolarHBondContact O-CB 3.49Å; Q316-D320 PolarHBondContact O-N 2.79Å; Q316-V331 HydrophobicContact CB-CG1 4.3Å; Q316-V331 HydrophobicContact CG-CB 4.35Å; Q316-V331 HydrophobicContact CG-CG1 4.02Å; Q316-V331 WeakPolarHBondContact CG-O 3.35Å; Q316-V331 PolarHBondContact NE2-O 2.9Å; Q316-F333 HydrophobicContact CB-CE1 4.12Å; Q316-F333 HydrophobicContact CB-CE2 4Å; Q316-F333 HydrophobicContact CB-CZ 3.67Å; Q316-F333 HydrophobicContact CG-CD2 4.03Å; Q316-F333 HydrophobicContact CG-CE1 4.45Å; Q316-F333 HydrophobicContact CG-CE2 3.57Å; Q316-F333 HydrophobicContact CG-CZ 3.81Å
317R88.8Confident88.1Confident157 Ų15755.1 Ų55.159%0.59232%0.316SS*.Hα-helixtrans-63-38.4-177.5-174.7175.9-177.3167.81.4113.2E313 V314E313-R317 WeakPolarHBondContact O-CB 3.45Å; E313-R317 PolarHBondContact O-N 3.48Å; V314-R317 PolarHBondContact O-N 3.04Å
318F87.2Confident87.9Confident122 Ų12258.2 Ų58.254%0.53532%0.321SS..Hα-helixtrans-91-19.4176.9-72.9-69.1000114.2T282 V314 Q316 R322T282-F318 HydrophobicContact CG2-CB 3.77Å; T282-F318 HydrophobicContact CG2-CD2 4.32Å; T282-F318 HydrophobicContact CG2-CG 4.37Å; V314-F318 HydrophobicContact CG1-CD2 3.82Å; V314-F318 HydrophobicContact CG1-CE2 4.03Å; V314-F318 WeakPolarHBondContact O-CD2 3.33Å; V314-F318 PolarHBondContact O-N 3.37Å; Q316-F318 PolarHBondContact O-N 3.48Å; F318-R322 WeakPolarHBondContact O-CD 3.49Å; F318-R322 WeakPolarHBondContact O-CG 3.29Å; F318-R322 PolarHBondContact O-NE 2.58Å
319G85.4Confident87.7Confident0 Ų056.1 Ų56.10%031%0.308CS..Hα-helixtrans-89.2-30-177.500000114.6A315 Q316 R322 V331A315-G319 WeakPolarHBondContact O-CA 3.33Å; A315-G319 PolarHBondContact O-N 2.7Å; Q316-G319 PolarHBondContact O-N 2.79Å; G319-R322 WeakPolarHBondContact O-CB 3.48Å; G319-R322 PolarHBondContact O-N 2.63Å; G319-V331 VanDerWaalsContact C-CG2 3.43Å; G319-V331 WeakPolarHBondContact O-CG2 3.44Å
320D89Confident87.6Confident41 Ų4156 Ų5622%0.21930%0.304CS..THydrogen-bonded Turntrans-65.7134.3178.5-165.454.6000111.6R178 Q316 R322 R330 V331R178-D320 IonicContact CZ-OD2 2.63Å; R178-D320 IonicContact NH1-OD1 3.05Å; R178-D320 IonicContact NH1-OD2 2.59Å; R178-D320 PolarHBondContact NH1-OD2 3Å; R178-D320 IonicContact NH2-OD2 3.48Å; R178-D320 PolarHBondContact NH2-OD2 3.25Å; Q316-D320 WeakPolarHBondContact O-CB 3.49Å; Q316-D320 PolarHBondContact O-N 2.79Å; D320-R322 VanDerWaalsContact C-N 3.25Å; D320-R322 PolarHBondContact O-N 2.83Å; D320-R330 VanDerWaalsContact OD1-CA 3.29Å; D320-R330 WeakPolarHBondContact OD1-CA 3.48Å; D320-V331 HydrophobicContact CB-CB 4.18Å; D320-V331 PolarHBondContact OD1-N 3.45Å
321G86.1Confident87.6Confident38 Ų3849 Ų4939%0.39227%0.271SS..THydrogen-bonded Turntrans77.3-3.1-176.300000115.2L323 H328 I329G321-L323 PolarHBondContact O-N 3.4Å; G321-H328 PolarHBondContact O-CD2 3.07Å; G321-H328 VanDerWaalsContact O-CD2 3.3Å; G321-I329 VanDerWaalsContact CA-O 3.31Å; G321-I329 WeakPolarHBondContact CA-O 3.46Å; G321-I329 PolarHBondContact N-O 3.19Å
322R84.8Confident87.6Confident71 Ų7146.6 Ų46.627%0.26826%0.261SS..  trans-59.9138.8178.8-78.4-167.7170.5-133.6-12.9112.1A278 D281 F318 G319 D320 L324 H328 I329A278-R322 PolarHBondContact O-NH1 2.95Å; D281-R322 IonicContact OD2-CZ 2.82Å; D281-R322 IonicContact OD2-NH1 3.87Å; D281-R322 PolarHBondContact OD2-NH1 2.88Å; D281-R322 IonicContact OD2-NH2 2.72Å; D281-R322 PolarHBondContact OD2-NH2 3.22Å; F318-R322 WeakPolarHBondContact O-CD 3.49Å; F318-R322 WeakPolarHBondContact O-CG 3.29Å; F318-R322 PolarHBondContact O-NE 2.58Å; G319-R322 WeakPolarHBondContact O-CB 3.48Å; G319-R322 PolarHBondContact O-N 2.63Å; D320-R322 VanDerWaalsContact C-N 3.25Å; D320-R322 PolarHBondContact O-N 2.83Å; R322-L324 PolarHBondContact O-N 3.25Å; R322-H328 WeakPolarHBondContact O-CA 3.25Å; R322-I329 HydrophobicContact CB-CD1 4.38Å; R322-I329 HydrophobicContact CB-CG1 4.06Å; R322-I329 VanDerWaalsContact O-CG1 3.26Å; R322-I329 WeakPolarHBondContact O-CG1 3.11Å; R322-I329 PolarHBondContact O-N 3.02Å
323L84.3Confident87.7Confident113 Ų11347.2 Ų47.259%0.59226%0.263SS*.EExtended strand (participates in β ladder)trans-79120.8175.5-169.971.8000110.5G321G321-L323 PolarHBondContact O-N 3.4Å
324L82Confident87.9Confident23 Ų2346.2 Ų46.212%0.1226%0.259CS..EExtended strand (participates in β ladder)trans-135.2122177.5-99.4179.6000109.7L269 L275 A278 R322 G326 T327 I329L269-L324 HydrophobicContact CD1-CB 4.02Å; L269-L324 HydrophobicContact CD1-CD1 4Å; L269-L324 HydrophobicContact CD1-CD2 4.04Å; L269-L324 HydrophobicContact CD1-CG 4.26Å; L275-L324 HydrophobicContact CD1-CD1 4.02Å; A278-L324 HydrophobicContact CB-CD1 3.66Å; A278-L324 HydrophobicContact CB-CD2 3.69Å; A278-L324 HydrophobicContact CB-CG 3.87Å; R322-L324 PolarHBondContact O-N 3.25Å; L324-G326 PolarHBondContact O-N 3.14Å; L324-G326 VanDerWaalsContact O-N 3.14Å; L324-T327 PolarHBondContact N-O 2.95Å; L324-T327 PolarHBondContact O-N 3.26Å; L324-T327 PolarHBondContact O-OG1 3.4Å; L324-I329 HydrophobicContact CB-CG2 3.96Å; L324-I329 HydrophobicContact CD1-CD1 4.03Å; L324-I329 HydrophobicContact CD1-CG1 4.33Å; L324-I329 HydrophobicContact CD1-CG2 3.99Å
325G73.9Confident88Confident55 Ų5543.6 Ų43.657%0.56724%0.244SC*.THydrogen-bonded Turntrans56.728.7178.400000114.6
326G79.9Confident88.1Confident64 Ų6443.7 Ų43.766%0.6624%0.244SC*.THydrogen-bonded Turntrans83.9-0.4-175.100000115.4L324L324-G326 PolarHBondContact O-N 3.14Å; L324-G326 VanDerWaalsContact O-N 3.14Å
327T85.3Confident87.9Confident40 Ų4046 Ų4625%0.24527%0.274CS..EExtended strand (participates in β ladder)trans-113.8141.1174.654.20000111.7P266 L324 I329P266-T327 HydrophobicContact CB-CG2 3.89Å; P266-T327 VanDerWaalsContact CB-OG1 3.3Å; P266-T327 WeakPolarHBondContact CB-OG1 3.21Å; P266-T327 WeakPolarHBondContact CD-OG1 3.43Å; P266-T327 WeakPolarHBondContact CG-OG1 3.47Å; L324-T327 PolarHBondContact N-O 2.95Å; L324-T327 PolarHBondContact O-N 3.26Å; L324-T327 PolarHBondContact O-OG1 3.4Å; T327-I329 PolarHBondContact O-N 3.45Å
328H87.6Confident88.1Confident120 Ų12039.5 Ų39.556%0.55625%0.252SS*.EExtended strand (participates in β ladder)trans-77.5115.8170.3-61.274.8000108G321 R322G321-H328 PolarHBondContact O-CD2 3.07Å; G321-H328 VanDerWaalsContact O-CD2 3.3Å; R322-H328 WeakPolarHBondContact O-CA 3.25Å
329I89.6Confident88.4Confident2 Ų236.9 Ų36.91%0.0125%0.247CC..  trans-75.1151.6175.456.1151.7000110.6V262 L265 L275 G321 R322 L324 T327 V331V262-I329 HydrophobicContact CG1-CB 4.01Å; V262-I329 HydrophobicContact CG1-CD1 3.81Å; V262-I329 HydrophobicContact CG1-CG2 4.36Å; L265-I329 HydrophobicContact CD2-CG2 3.84Å; L275-I329 HydrophobicContact CD1-CD1 4.37Å; G321-I329 VanDerWaalsContact CA-O 3.31Å; G321-I329 WeakPolarHBondContact CA-O 3.46Å; G321-I329 PolarHBondContact N-O 3.19Å; R322-I329 HydrophobicContact CB-CD1 4.38Å; R322-I329 HydrophobicContact CB-CG1 4.06Å; R322-I329 VanDerWaalsContact O-CG1 3.26Å; R322-I329 WeakPolarHBondContact O-CG1 3.11Å; R322-I329 PolarHBondContact O-N 3.02Å; L324-I329 HydrophobicContact CB-CG2 3.96Å; L324-I329 HydrophobicContact CD1-CD1 4.03Å; L324-I329 HydrophobicContact CD1-CG1 4.33Å; L324-I329 HydrophobicContact CD1-CG2 3.99Å; T327-I329 PolarHBondContact O-N 3.45Å; I329-V331 HydrophobicContact CD1-CG2 3.87Å
330R90Very high88.7Confident15 Ų1536.9 Ų36.96%0.05725%0.247CC..EExtended strand (participates in β ladder)trans-114132.6173.2175.1170.166.1179.56.4109.2D70 S237 V262 D263 D320D70-R330 IonicContact OD2-NH1 2.63Å; D70-R330 PolarHBondContact OD2-NH1 3.39Å; S237-R330 PolarHBondContact O-NH2 2.87Å; S237-R330 PolarHBondContact OG-NH1 2.9Å; V262-R330 CarbonylContact C-O 3.56Å; V262-R330 VanDerWaalsContact CA-O 3.31Å; V262-R330 WeakPolarHBondContact CA-O 3.32Å; D263-R330 PolarHBondContact N-O 2.78Å; D263-R330 PolarHBondContact O-N 3.31Å; D263-R330 VanDerWaalsContact O-N 3.09Å; D263-R330 VanDerWaalsContact OD1-CB 3.29Å; D263-R330 WeakPolarHBondContact OD1-CB 3.5Å; D263-R330 WeakPolarHBondContact OD1-CG 3.3Å; D263-R330 IonicContact OD1-CZ 3.95Å; D263-R330 IonicContact OD1-NE 3.67Å; D263-R330 PolarHBondContact OD1-NE 3.14Å; D263-R330 IonicContact OD1-NH2 3.01Å; D263-R330 IonicContact OD2-CZ 2.73Å; D263-R330 IonicContact OD2-NE 3.56Å; D263-R330 PolarHBondContact OD2-NE 2.77Å; D263-R330 IonicContact OD2-NH2 3.53Å; D263-R330 PolarHBondContact OD2-NH2 3.47Å; D320-R330 VanDerWaalsContact OD1-CA 3.29Å; D320-R330 WeakPolarHBondContact OD1-CA 3.48Å
331V92.1Very high88.9Confident1 Ų144.1 Ų44.11%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-120.1119.5-176.1-170.20000108.8L260 V262 Q316 G319 D320 I329L260-V331 HydrophobicContact CB-CG1 4.16Å; L260-V331 HydrophobicContact CD1-CG1 3.79Å; L260-V331 HydrophobicContact CG-CG1 4.46Å; V262-V331 HydrophobicContact CG1-CG2 4.32Å; V262-V331 HydrophobicContact CG2-CG1 4.23Å; V262-V331 HydrophobicContact CG2-CG2 4.12Å; Q316-V331 HydrophobicContact CB-CG1 4.3Å; Q316-V331 HydrophobicContact CG-CB 4.35Å; Q316-V331 HydrophobicContact CG-CG1 4.02Å; Q316-V331 WeakPolarHBondContact CG-O 3.35Å; Q316-V331 PolarHBondContact NE2-O 2.9Å; G319-V331 VanDerWaalsContact C-CG2 3.43Å; G319-V331 WeakPolarHBondContact O-CG2 3.44Å; D320-V331 HydrophobicContact CB-CB 4.18Å; D320-V331 PolarHBondContact OD1-N 3.45Å; I329-V331 HydrophobicContact CD1-CG2 3.87Å
332S93.7Very high89.3Confident12 Ų1245.2 Ų45.28%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-124.9155.9-17562.80000110.5L260 C261L260-S332 CarbonylContact C-O 3.52Å; L260-S332 VanDerWaalsContact CA-O 3.3Å; L260-S332 WeakPolarHBondContact CA-O 3.43Å; C261-S332 PolarHBondContact N-O 3.27Å; C261-S332 PolarHBondContact O-N 2.63Å; C261-S332 PolarHBondContact O-OG 3.3Å
333F95.4Very high89.8Confident12 Ų1241.9 Ų41.95%0.05326%0.26CS..EExtended strand (participates in β ladder)trans-83.5135.5174.7-62.8-92.7000110.9K210 Y212 L260 E313 Q316K210-F333 HydrophobicContact CB-CD2 3.69Å; K210-F333 HydrophobicContact CB-CE2 3.96Å; K210-F333 HydrophobicContact CB-CG 4.17Å; K210-F333 HydrophobicContact CD-CE1 4.33Å; K210-F333 HydrophobicContact CD-CE2 4.33Å; K210-F333 HydrophobicContact CD-CZ 4.21Å; K210-F333 HydrophobicContact CG-CD2 4.23Å; K210-F333 HydrophobicContact CG-CE2 4Å; K210-F333 HydrophobicContact CG-CZ 4.33Å; K210-F333 VanDerWaalsContact O-CD2 3.26Å; K210-F333 WeakPolarHBondContact O-CD2 3.49Å; Y212-F333 HydrophobicContact CD1-CB 3.76Å; Y212-F333 HydrophobicContact CE1-CB 3.41Å; Y212-F333 VanDerWaalsContact CE1-CB 3.41Å; Y212-F333 AromaticContact CE1-CG 3.99Å; Y212-F333 HydrophobicContact CE1-CG 3.99Å; L260-F333 HydrophobicContact CD2-CD1 3.46Å; L260-F333 VanDerWaalsContact CD2-CD1 3.46Å; L260-F333 HydrophobicContact CD2-CE1 3.81Å; L260-F333 HydrophobicContact CD2-CG 4.02Å; E313-F333 HydrophobicContact CB-CE1 4.4Å; E313-F333 HydrophobicContact CB-CZ 4.32Å; E313-F333 HydrophobicContact CG-CZ 4.38Å; Q316-F333 HydrophobicContact CB-CE1 4.12Å; Q316-F333 HydrophobicContact CB-CE2 4Å; Q316-F333 HydrophobicContact CB-CZ 3.67Å; Q316-F333 HydrophobicContact CG-CD2 4.03Å; Q316-F333 HydrophobicContact CG-CE1 4.45Å; Q316-F333 HydrophobicContact CG-CE2 3.57Å; Q316-F333 HydrophobicContact CG-CZ 3.81Å
334C95.3Very high90.2Very high7 Ų736.9 Ų36.95%0.04723%0.234CC..PPolyproline II helixtrans-73160.2167.8-66.50000110.8S257 C259 L260 M343S257-C334 WeakPolarHBondContact CB-O 3.42Å; S257-C334 PolarHBondContact OG-O 3.26Å; C259-C334 HydrophobicContact CB-CB 3.66Å; C259-C334 WeakPolarHBondContact O-CB 3.31Å; C259-C334 PolarHBondContact O-N 3.11Å; L260-C334 VanDerWaalsContact C-SG 3.5Å; C334-M343 HydrophobicContact CB-CE 4.12Å; C334-M343 HydrophobicContact CB-CG 3.72Å; C334-M343 HydrophobicContact CB-SD 3.89Å
335A94.5Very high90.7Very high0 Ų038.7 Ų38.70%025%0.253CS..PPolyproline II helixtrans-56.8132.5168.400000110.5C172 A174 Y241 H243 M343C172-A335 HydrophobicContact CB-CB 4.19Å; A174-A335 HydrophobicContact CB-CB 4.07Å; Y241-A335 HydrophobicContact CD1-CB 4.25Å; Y241-A335 HydrophobicContact CE1-CB 4.1Å; H243-A335 HydrophobicContact CB-CB 4.43Å; A335-M343 HydrophobicContact CB-CE 4.26Å; A335-M343 WeakPolarHBondContact O-CE 3.42Å
336P93Very high91.5Very high2 Ų237.4 Ų37.41%0.01324%0.237CC..SBendtrans-68.4159.917930.6-38.3000112.2Y212 F214 Q254 P338Y212-P336 HydrophobicContact CD2-CG 4.47Å; Y212-P336 HydrophobicContact CE2-CG 3.99Å; F214-P336 HydrophobicContact CE2-CG 4.12Å; F214-P336 HydrophobicContact CZ-CG 3.62Å; Q254-P336 WeakPolarHBondContact O-CB 3.39Å; P336-P338 VanDerWaalsContact C-CD 3.49Å; P336-P338 VanDerWaalsContact O-CD 3.25Å; P336-P338 WeakPolarHBondContact O-CD 3.27Å
337G88.8Confident92.1Very high71 Ų7135.6 Ų35.673%0.73221%0.212SC*.SBendtrans113-72.7178.300000112.8
338P91.9Very high92.3Very high21 Ų2135.3 Ų35.314%0.13621%0.209CC..SBendtrans-69.4141.9-177.3-17.831.1000113H243 P336 M343H243-P338 VanDerWaalsContact NE2-CG 3.31Å; H243-P338 WeakPolarHBondContact NE2-CG 3.44Å; P336-P338 VanDerWaalsContact C-CD 3.49Å; P336-P338 VanDerWaalsContact O-CD 3.25Å; P336-P338 WeakPolarHBondContact O-CD 3.27Å; P338-M343 HydrophobicContact CB-CE 4.05Å; P338-M343 HydrophobicContact CG-CE 3.86Å
339P93.4Very high92.4Very high67 Ų6732.2 Ų32.244%0.43520%0.203SC..  trans-69.8162.6172.530.6-36000111.6E305 R341 S342 M343E305-P339 WeakPolarHBondContact OE1-CA 3.29Å; E305-P339 WeakPolarHBondContact OE1-CB 3.34Å; P339-R341 VanDerWaalsContact C-N 3.31Å; P339-R341 PolarHBondContact O-N 3.07Å; P339-R341 VanDerWaalsContact O-N 3.15Å; P339-S342 WeakPolarHBondContact O-CA 3.31Å; P339-S342 WeakPolarHBondContact O-CB 3.44Å; P339-S342 PolarHBondContact O-N 2.63Å; P339-M343 PolarHBondContact O-N 3.31Å
340G92.4Very high92.4Very high0 Ų032.7 Ų32.70%021%0.208CC..Hα-helixtrans-56.8-37.5-168.300000114.2E305 S342 M343 L344E305-G340 VanDerWaalsContact CD-N 3.32Å; E305-G340 PolarHBondContact OE2-N 3.49Å; G340-S342 PolarHBondContact O-N 3.45Å; G340-M343 PolarHBondContact O-N 2.89Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.23Å; G340-L344 PolarHBondContact O-N 3.47Å
341R93.5Very high92.1Very high192 Ų19235.2 Ų35.273%0.72522%0.22SC*.Hα-helixtrans-61.4-42.2173.6-71.7-175.7178.7-1460.8112.9F287 P339 A345F287-R341 HydrophobicContact CD2-CG 3.87Å; F287-R341 HydrophobicContact CE1-CG 4.42Å; F287-R341 HydrophobicContact CE2-CG 3.4Å; F287-R341 HydrophobicContact CZ-CB 4.41Å; F287-R341 HydrophobicContact CZ-CG 3.7Å; P339-R341 VanDerWaalsContact C-N 3.31Å; P339-R341 PolarHBondContact O-N 3.07Å; P339-R341 VanDerWaalsContact O-N 3.15Å; R341-A345 PolarHBondContact O-N 3.17Å
342S94.3Very high91.7Very high61 Ų6137.4 Ų37.443%0.42723%0.234SC..Hα-helixtrans-72.4-42.6179-172.50000110.8P339 G340 L344 A345 A346P339-S342 WeakPolarHBondContact O-CA 3.31Å; P339-S342 WeakPolarHBondContact O-CB 3.44Å; P339-S342 PolarHBondContact O-N 2.63Å; G340-S342 PolarHBondContact O-N 3.45Å; S342-L344 PolarHBondContact O-N 3.34Å; S342-A345 PolarHBondContact O-N 3.08Å; S342-A346 WeakPolarHBondContact O-CB 3.18Å; S342-A346 PolarHBondContact O-N 3.03Å
343M94.5Very high91Very high1 Ų140.8 Ų40.81%0.00525%0.254CS..Hα-helixtrans-59.9-45175.4-173.457.658.300112.1Y241 V303 C334 A335 P338 P339 G340 A346 L347Y241-M343 HydrophobicContact CE1-CE 4.4Å; Y241-M343 HydrophobicContact CE1-SD 3.81Å; V303-M343 HydrophobicContact CG1-CB 4.31Å; V303-M343 HydrophobicContact CG1-CG 4.32Å; C334-M343 HydrophobicContact CB-CE 4.12Å; C334-M343 HydrophobicContact CB-CG 3.72Å; C334-M343 HydrophobicContact CB-SD 3.89Å; A335-M343 HydrophobicContact CB-CE 4.26Å; A335-M343 WeakPolarHBondContact O-CE 3.42Å; P338-M343 HydrophobicContact CB-CE 4.05Å; P338-M343 HydrophobicContact CG-CE 3.86Å; P339-M343 PolarHBondContact O-N 3.31Å; G340-M343 PolarHBondContact O-N 2.89Å; M343-A346 PolarHBondContact O-N 3.32Å; M343-L347 HydrophobicContact CG-CD1 3.92Å; M343-L347 HydrophobicContact CG-CG 4.4Å; M343-L347 WeakPolarHBondContact O-CB 3.18Å; M343-L347 VanDerWaalsContact O-CG 3.32Å; M343-L347 WeakPolarHBondContact O-CG 3.15Å; M343-L347 PolarHBondContact O-N 3.12Å; M343-L347 HydrophobicContact SD-CD1 4.14Å; M343-L347 HydrophobicContact SD-CG 4.13Å
344L92.7Very high90.2Very high8 Ų841.1 Ų41.14%0.04226%0.259CS..Hα-helixtrans-58.3-49.9176.7-177.964.5000111.8F287 Q289 A291 F301 V303 G340 S342 A346 L347 I348F287-L344 HydrophobicContact CE1-CD2 4.47Å; F287-L344 HydrophobicContact CZ-CD2 4.07Å; Q289-L344 HydrophobicContact CB-CD2 3.89Å; Q289-L344 HydrophobicContact CG-CD2 3.68Å; A291-L344 HydrophobicContact CB-CD1 3.83Å; F301-L344 HydrophobicContact CE2-CD1 4.17Å; V303-L344 HydrophobicContact CB-CB 4.1Å; V303-L344 HydrophobicContact CB-CD1 4.04Å; V303-L344 HydrophobicContact CG2-CB 4.06Å; V303-L344 HydrophobicContact CG2-CD1 3.72Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.23Å; G340-L344 PolarHBondContact O-N 3.47Å; S342-L344 PolarHBondContact O-N 3.34Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 2.7Å; L344-L347 PolarHBondContact O-N 3.01Å; L344-I348 HydrophobicContact CD1-CD1 4.07Å; L344-I348 HydrophobicContact CG-CD1 3.96Å; L344-I348 VanDerWaalsContact O-CG1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 2.88Å
345A92.5Very high89.1Confident61 Ų6145.4 Ų45.450%0.50429%0.285SS..Hα-helixtrans-61.5-42.3177.800000112R341 S342 I348 A349R341-A345 PolarHBondContact O-N 3.17Å; S342-A345 PolarHBondContact O-N 3.08Å; A345-I348 PolarHBondContact O-N 2.81Å; A345-A349 WeakPolarHBondContact O-CB 3.45Å; A345-A349 PolarHBondContact O-N 3.48Å
346A92.4Very high88Confident29 Ų2949 Ų4924%0.2430%0.304CS..Hα-helixtrans-67.2-37.7178.800000113Y241 S342 M343 L344 A349 A350Y241-A346 WeakPolarHBondContact OH-CB 3.43Å; S342-A346 WeakPolarHBondContact O-CB 3.18Å; S342-A346 PolarHBondContact O-N 3.03Å; M343-A346 PolarHBondContact O-N 3.32Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 2.7Å; A346-A349 PolarHBondContact O-N 3.39Å; A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.34Å; A346-A350 PolarHBondContact O-N 3.11Å
347L91.9Very high86.8Confident26 Ų2654.4 Ų54.414%0.13632%0.324CS..Hα-helixtrans-69.1-40.4174.7-72.8171000112.1Y241 F301 V303 M343 L344 A349 A350 Q351Y241-L347 HydrophobicContact CD1-CD2 4.09Å; Y241-L347 HydrophobicContact CD2-CD2 3.72Å; Y241-L347 HydrophobicContact CE1-CD2 4.47Å; Y241-L347 HydrophobicContact CE2-CD2 4.16Å; Y241-L347 HydrophobicContact CG-CD2 3.69Å; F301-L347 HydrophobicContact CE2-CB 3.71Å; F301-L347 HydrophobicContact CE2-CD1 4.2Å; F301-L347 HydrophobicContact CZ-CB 3.86Å; V303-L347 HydrophobicContact CG2-CD1 3.77Å; M343-L347 HydrophobicContact CG-CD1 3.92Å; M343-L347 HydrophobicContact CG-CG 4.4Å; M343-L347 WeakPolarHBondContact O-CB 3.18Å; M343-L347 VanDerWaalsContact O-CG 3.32Å; M343-L347 WeakPolarHBondContact O-CG 3.15Å; M343-L347 PolarHBondContact O-N 3.12Å; M343-L347 HydrophobicContact SD-CD1 4.14Å; M343-L347 HydrophobicContact SD-CG 4.13Å; L344-L347 PolarHBondContact O-N 3.01Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 3.07Å; L347-A350 PolarHBondContact O-N 2.74Å; L347-Q351 WeakPolarHBondContact O-CB 3.41Å; L347-Q351 PolarHBondContact O-N 3.2Å
348I90.1Very high85.4Confident34 Ų3455.3 Ų55.317%0.17433%0.334CS..Hα-helixtrans-62.5-41.8174.1-67.9164.5000110.6A291 F301 L344 A345 T352A291-I348 HydrophobicContact CB-CD1 4.19Å; A291-I348 HydrophobicContact CB-CG1 4.07Å; F301-I348 HydrophobicContact CZ-CG1 3.84Å; L344-I348 HydrophobicContact CD1-CD1 4.07Å; L344-I348 HydrophobicContact CG-CD1 3.96Å; L344-I348 VanDerWaalsContact O-CG1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 2.88Å; A345-I348 PolarHBondContact O-N 2.81Å; I348-T352 WeakPolarHBondContact O-CB 3.31Å; I348-T352 PolarHBondContact O-N 2.57Å; I348-T352 PolarHBondContact O-OG1 3Å
349A89.2Confident84Confident54 Ų5458.9 Ų58.945%0.44635%0.347SS..Hα-helixtrans-65.8-44174.900000112.5A345 A346 L347 T352 T353A345-A349 WeakPolarHBondContact O-CB 3.45Å; A345-A349 PolarHBondContact O-N 3.48Å; A346-A349 PolarHBondContact O-N 3.39Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 3.07Å; A349-T352 PolarHBondContact O-N 3.14Å; A349-T353 WeakPolarHBondContact O-CB 3.48Å; A349-T353 WeakPolarHBondContact O-CG2 3.46Å; A349-T353 PolarHBondContact O-N 3.07Å; A349-T353 PolarHBondContact O-OG1 3.28Å
350A88.1Confident82.1Confident13 Ų1358.4 Ų58.411%0.10735%0.354CS..Hα-helixtrans-61.8-44.5176.200000112.5L231 Y241 A346 L347 T353 A354L231-A350 HydrophobicContact CD1-CB 3.97Å; Y241-A350 HydrophobicContact CD2-CB 3.83Å; Y241-A350 HydrophobicContact CE2-CB 3.99Å; A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.34Å; A346-A350 PolarHBondContact O-N 3.11Å; L347-A350 PolarHBondContact O-N 2.74Å; A350-T353 WeakPolarHBondContact CA-OG1 3.1Å; A350-T353 PolarHBondContact O-OG1 3.36Å; A350-T353 VanDerWaalsContact O-OG1 3.08Å; A350-A354 VanDerWaalsContact O-CB 3.27Å; A350-A354 WeakPolarHBondContact O-CB 3.31Å; A350-A354 PolarHBondContact O-N 3.3Å
351Q85.4Confident80.4Confident68 Ų6867.7 Ų67.732%0.31840%0.402SS..Hα-helixtrans-65.1-42.6176.6-168.8-165.550.800111.4L347 A354 V355L347-Q351 WeakPolarHBondContact O-CB 3.41Å; L347-Q351 PolarHBondContact O-N 3.2Å; Q351-A354 PolarHBondContact O-N 3.07Å; Q351-V355 WeakPolarHBondContact O-CG2 3.21Å; Q351-V355 PolarHBondContact O-N 2.64Å
352T82.8Confident78.6Confident46 Ų4665.4 Ų65.428%0.28240%0.404SS..Hα-helixtrans-64.7-43.3178.3-55.10000111.9R299 I348 A349 N356R299-T352 VanDerWaalsContact CZ-OG1 3.27Å; R299-T352 PolarHBondContact NH1-OG1 2.59Å; R299-T352 PolarHBondContact NH2-OG1 3.1Å; I348-T352 WeakPolarHBondContact O-CB 3.31Å; I348-T352 PolarHBondContact O-N 2.57Å; I348-T352 PolarHBondContact O-OG1 3Å; A349-T352 PolarHBondContact O-N 3.14Å; T352-N356 WeakPolarHBondContact O-CB 3.47Å; T352-N356 PolarHBondContact O-N 3.49Å; T352-N356 PolarHBondContact O-ND2 3.29Å
353T79.6Confident76.8Confident83 Ų8367.6 Ų67.651%0.50942%0.416SS..Hα-helixtrans-68.1-35176460000112.4A349 A350 N356 R357A349-T353 WeakPolarHBondContact O-CB 3.48Å; A349-T353 WeakPolarHBondContact O-CG2 3.46Å; A349-T353 PolarHBondContact O-N 3.07Å; A349-T353 PolarHBondContact O-OG1 3.28Å; A350-T353 WeakPolarHBondContact CA-OG1 3.1Å; A350-T353 PolarHBondContact O-OG1 3.36Å; A350-T353 VanDerWaalsContact O-OG1 3.08Å; T353-N356 PolarHBondContact O-N 3.37Å; T353-R357 PolarHBondContact O-N 2.97Å
354A77.7Confident74.8Confident19 Ų1972.2 Ų72.216%0.15744%0.441CS..Hα-helixtrans-66-46174.800000112.7M239 A350 Q351 N356 R357M239-A354 HydrophobicContact CE-CB 4.25Å; A350-A354 VanDerWaalsContact O-CB 3.27Å; A350-A354 WeakPolarHBondContact O-CB 3.31Å; A350-A354 PolarHBondContact O-N 3.3Å; Q351-A354 PolarHBondContact O-N 3.07Å; A354-N356 PolarHBondContact O-N 3.07Å; A354-R357 WeakPolarHBondContact O-CB 3.27Å; A354-R357 PolarHBondContact O-N 3.05Å
355V73.4Confident73Confident98 Ų9875.2 Ų75.259%0.59446%0.461SS*.Hα-helixtrans-63.8-28.8177.61700000112.4Q351Q351-V355 WeakPolarHBondContact O-CG2 3.21Å; Q351-V355 PolarHBondContact O-N 2.64Å
356N70.9Confident71.8Confident75 Ų7576.6 Ų76.640%0.40146%0.464SS..THydrogen-bonded Turntrans-93.17.5178.2-66.7-19.1000114T352 T353 A354 G358 K359T352-N356 WeakPolarHBondContact O-CB 3.47Å; T352-N356 PolarHBondContact O-N 3.49Å; T352-N356 PolarHBondContact O-ND2 3.29Å; T353-N356 PolarHBondContact O-N 3.37Å; A354-N356 PolarHBondContact O-N 3.07Å; N356-G358 PolarHBondContact O-N 3.16Å; N356-K359 WeakPolarHBondContact O-CB 3.14Å; N356-K359 PolarHBondContact O-N 3.27Å; N356-K359 VanDerWaalsContact O-N 3.11Å
357R66.9Low70.1Confident116 Ų11679.2 Ų79.244%0.43848%0.477SS..THydrogen-bonded Turntrans-64.4131174-84.8-177.9165.8158.9-3.6111.3S228 L231 G232 T353 A354 K359S228-R357 PolarHBondContact O-NH2 3.04Å; L231-R357 PolarHBondContact O-NH1 3.17Å; L231-R357 PolarHBondContact O-NH2 2.98Å; G232-R357 PolarHBondContact O-NH1 2.88Å; T353-R357 PolarHBondContact O-N 2.97Å; A354-R357 WeakPolarHBondContact O-CB 3.27Å; A354-R357 PolarHBondContact O-N 3.05Å; R357-K359 PolarHBondContact O-N 2.93Å
358G59.7Low68.4Low90 Ų9084.3 Ų84.393%0.92850%0.501SS*.THydrogen-bonded Turntrans79.4-12-175.200000114.1N356N356-G358 PolarHBondContact O-N 3.16Å
359K62.4Low67.1Low96 Ų9688.2 Ų88.242%0.41752%0.519SS..SBendtrans-80.2158.5162.9-56.9-169.1174.1-168.30109.6N356 R357 D364N356-K359 WeakPolarHBondContact O-CB 3.14Å; N356-K359 PolarHBondContact O-N 3.27Å; N356-K359 VanDerWaalsContact O-N 3.11Å; R357-K359 PolarHBondContact O-N 2.93Å; K359-D364 WeakPolarHBondContact CD-OD2 3.5Å; K359-D364 WeakPolarHBondContact CE-OD2 3.49Å; K359-D364 IonicContact NZ-OD2 3.17Å; K359-D364 PolarHBondContact NZ-OD2 3.23Å
360G54.8Low65.9Low56 Ų5689 Ų8958%0.57752%0.515SS*.  trans-66.6168.4179.400000113L362G360-L362 PolarHBondContact O-N 2.86Å
361L55.8Low64.6Low195 Ų19592 Ų92100%1.02153%0.529SS*.SBendtrans-69.5-8.1169.7-66.6175000113.2
362L56.1Low63.5Low145 Ų14593.5 Ų93.576%0.75954%0.543SS*.SBendtrans-89.9137167.8-73.8160.2000108.8G360G360-L362 PolarHBondContact O-N 2.86Å
363P56.4Low62.4Low106 Ų10694.5 Ų94.569%0.68855%0.551SS**  trans-59.8145.216928.5-34.5000109.7P365P363-P365 VanDerWaalsContact O-CD 3.3Å; P363-P365 WeakPolarHBondContact O-CD 3.4Å
364D52.5Low61.4Low98 Ų9891.5 Ų91.552%0.52453%0.532SS..  trans-53.5115.3173.7-66.4-31.2000108.6K359 T366K359-D364 WeakPolarHBondContact CD-OD2 3.5Å; K359-D364 WeakPolarHBondContact CE-OD2 3.49Å; K359-D364 IonicContact NZ-OD2 3.17Å; K359-D364 PolarHBondContact NZ-OD2 3.23Å; D364-T366 PolarHBondContact O-N 2.9Å
365P55.2Low60.6Low72 Ų7296.5 Ų96.547%0.46856%0.556SS.*  trans-66.7123-174.924.5-31.9000109P363 T367 Q369 I370P363-P365 VanDerWaalsContact O-CD 3.3Å; P363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-T367 PolarHBondContact O-N 3.44Å; P365-Q369 HydrophobicContact CB-CB 4.41Å; P365-I370 HydrophobicContact CB-CG1 3.94Å; P365-I370 HydrophobicContact CG-CD1 4.1Å; P365-I370 HydrophobicContact CG-CG1 3.81Å; P365-I370 WeakPolarHBondContact O-CD1 3.4Å; P365-I370 WeakPolarHBondContact O-CG1 3.33Å
366T65.9Low60.3Low90 Ų9096 Ų9655%0.55255%0.55SS**  trans-50.2142.3177.2-48.80000109.6D364 M368 Q369 I370D364-T366 PolarHBondContact O-N 2.9Å; T366-M368 CarbonylContact O-C 3.57Å; T366-M368 PolarHBondContact O-N 3.18Å; T366-Q369 WeakPolarHBondContact O-CA 3.4Å; T366-Q369 WeakPolarHBondContact O-CB 3.37Å; T366-Q369 PolarHBondContact O-N 3.01Å; T366-I370 PolarHBondContact O-N 3.29Å; T366-I370 VanDerWaalsContact O-N 3.1Å
367T56.7Low59.9Low83 Ų8396.5 Ų96.551%0.50956%0.558SS.*Hα-helixtrans-51.2-32.9-176-37.70000113.1P365 I370 L371P365-T367 PolarHBondContact O-N 3.44Å; T367-I370 PolarHBondContact O-N 2.85Å; T367-L371 HydrophobicContact CG2-CD1 4.4Å; T367-L371 WeakPolarHBondContact O-CB 3.49Å; T367-L371 WeakPolarHBondContact O-CG 3.35Å; T367-L371 PolarHBondContact O-N 2.8Å
368M56.7Low59.7Low134 Ų13493.9 Ų93.966%0.6656%0.56SS**Hα-helixtrans-64.1-38.2172.1-64.6-60.3-71.200114.1T366 T372T366-M368 CarbonylContact O-C 3.57Å; T366-M368 PolarHBondContact O-N 3.18Å; M368-T372 VanDerWaalsContact O-CB 3.28Å; M368-T372 WeakPolarHBondContact O-CB 3.4Å; M368-T372 PolarHBondContact O-N 3.31Å; M368-T372 PolarHBondContact O-OG1 2.85Å
369Q62Low59.8Low115 Ų11591.1 Ų91.154%0.53753%0.529SS..Hα-helixtrans-71.8-35.1174.7-66.4178.4-15.800111.6P365 T366 T372 S373P365-Q369 HydrophobicContact CB-CB 4.41Å; T366-Q369 WeakPolarHBondContact O-CA 3.4Å; T366-Q369 WeakPolarHBondContact O-CB 3.37Å; T366-Q369 PolarHBondContact O-N 3.01Å; Q369-T372 PolarHBondContact O-N 3.04Å; Q369-S373 WeakPolarHBondContact O-CB 3.16Å; Q369-S373 PolarHBondContact O-N 3.01Å; Q369-S373 PolarHBondContact O-OG 2.87Å
370I64.2Low59.6Low72 Ų7288.7 Ų88.737%0.36952%0.52SS..Hα-helixtrans-62.2-52.3170.5-55.6177.7000109.6P365 T366 T367 T372 S373 L374P365-I370 HydrophobicContact CB-CG1 3.94Å; P365-I370 HydrophobicContact CG-CD1 4.1Å; P365-I370 HydrophobicContact CG-CG1 3.81Å; P365-I370 WeakPolarHBondContact O-CD1 3.4Å; P365-I370 WeakPolarHBondContact O-CG1 3.33Å; T366-I370 PolarHBondContact O-N 3.29Å; T366-I370 VanDerWaalsContact O-N 3.1Å; T367-I370 PolarHBondContact O-N 2.85Å; I370-T372 VanDerWaalsContact C-N 3.32Å; I370-T372 PolarHBondContact O-N 3.24Å; I370-S373 PolarHBondContact O-N 2.81Å; I370-S373 PolarHBondContact O-OG 2.86Å; I370-L374 HydrophobicContact CG2-CD1 4.09Å; I370-L374 HydrophobicContact CG2-CG 4.43Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 VanDerWaalsContact O-CG 3.3Å; I370-L374 WeakPolarHBondContact O-CG 3.23Å; I370-L374 PolarHBondContact O-N 3.27Å
371L62.3Low59.7Low76 Ų7693.6 Ų93.640%0.39853%0.526SS..Hα-helixtrans-61.2-38.4178.1-71.7166.6000112.6T367 L374 N375 L410T367-L371 HydrophobicContact CG2-CD1 4.4Å; T367-L371 WeakPolarHBondContact O-CB 3.49Å; T367-L371 WeakPolarHBondContact O-CG 3.35Å; T367-L371 PolarHBondContact O-N 2.8Å; L371-L374 PolarHBondContact O-N 2.77Å; L371-N375 PolarHBondContact O-N 3.25Å; L371-L410 HydrophobicContact CD2-CD2 4.11Å
372T62.2Low59.8Low99 Ų9991.4 Ų91.461%0.60751%0.512SS*.Hα-helixtrans-68.4-38.2176.6-56.50000112.1M368 Q369 I370 N375M368-T372 VanDerWaalsContact O-CB 3.28Å; M368-T372 WeakPolarHBondContact O-CB 3.4Å; M368-T372 PolarHBondContact O-N 3.31Å; M368-T372 PolarHBondContact O-OG1 2.85Å; Q369-T372 PolarHBondContact O-N 3.04Å; I370-T372 VanDerWaalsContact C-N 3.32Å; I370-T372 PolarHBondContact O-N 3.24Å; T372-N375 VanDerWaalsContact O-CB 3.25Å; T372-N375 WeakPolarHBondContact O-CB 3.34Å; T372-N375 PolarHBondContact O-N 2.82Å
373S58.3Low59.8Low66 Ų6689.3 Ų89.346%0.46250%0.501SS..Hα-helixtrans-75-29.9177.152.40000112.9Q369 I370 N375 N376Q369-S373 WeakPolarHBondContact O-CB 3.16Å; Q369-S373 PolarHBondContact O-N 3.01Å; Q369-S373 PolarHBondContact O-OG 2.87Å; I370-S373 PolarHBondContact O-N 2.81Å; I370-S373 PolarHBondContact O-OG 2.86Å; S373-N375 PolarHBondContact O-N 2.96Å; S373-N376 WeakPolarHBondContact O-CB 3.38Å; S373-N376 PolarHBondContact O-N 3.22Å; S373-N376 VanDerWaalsContact O-N 3.07Å
374L58.8Low59.7Low20 Ų2088.7 Ų88.711%0.10549%0.492CS..Hα-helixtrans-64.6-17.8168.1-71.6174.2000113.4I370 L371 N376 L380 L383 L414I370-L374 HydrophobicContact CG2-CD1 4.09Å; I370-L374 HydrophobicContact CG2-CG 4.43Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 VanDerWaalsContact O-CG 3.3Å; I370-L374 WeakPolarHBondContact O-CG 3.23Å; I370-L374 PolarHBondContact O-N 3.27Å; L371-L374 PolarHBondContact O-N 2.77Å; L374-N376 PolarHBondContact O-N 2.95Å; L374-L380 HydrophobicContact CD2-CD2 3.87Å; L374-L380 HydrophobicContact CD2-CG 4.46Å; L374-L380 WeakPolarHBondContact O-CD1 3.4Å; L374-L380 WeakPolarHBondContact O-CG 3.36Å; L374-L383 HydrophobicContact CD2-CD1 3.69Å; L374-L414 HydrophobicContact CD1-CD1 4.47Å; L374-L414 HydrophobicContact CD1-CD2 4.22Å; L374-L414 HydrophobicContact CD1-CG 4.44Å; L374-L414 HydrophobicContact CD2-CD2 4.21Å
375N60.6Low59.7Low125 Ų12588.4 Ų88.467%0.66849%0.49SS*.THydrogen-bonded Turntrans-73.3-6.1171.9-156.722.8000112.9L371 T372 S373L371-N375 PolarHBondContact O-N 3.25Å; T372-N375 VanDerWaalsContact O-CB 3.25Å; T372-N375 WeakPolarHBondContact O-CB 3.34Å; T372-N375 PolarHBondContact O-N 2.82Å; S373-N375 PolarHBondContact O-N 2.96Å
376N68.1Low59.1Low87 Ų8790.6 Ų90.647%0.46550%0.502SS..SBendtrans-92.3117.1172.3-175.3-23.7000110.6S373 L374 A378 A379 L380S373-N376 WeakPolarHBondContact O-CB 3.38Å; S373-N376 PolarHBondContact O-N 3.22Å; S373-N376 VanDerWaalsContact O-N 3.07Å; L374-N376 PolarHBondContact O-N 2.95Å; N376-A378 PolarHBondContact O-N 3.17Å; N376-A378 VanDerWaalsContact O-N 3.12Å; N376-A378 WeakPolarHBondContact OD1-CB 3.37Å; N376-A378 PolarHBondContact OD1-N 2.85Å; N376-A379 HydrophobicContact CB-CB 4.25Å; N376-A379 PolarHBondContact O-N 2.95Å; N376-L380 PolarHBondContact O-N 2.8Å
377P62.8Low58.1Low86 Ų8692.9 Ų92.956%0.55851%0.51SS*.Hα-helixtrans-64.6-19.1-176.826.4-35000114.1K381P377-K381 WeakPolarHBondContact O-CG 2.96Å; P377-K381 PolarHBondContact O-N 3.05Å
378A62.9Low57.5Low60 Ų6092.6 Ų92.650%0.49651%0.511SS..Hα-helixtrans-74.2-38.9172.900000112.3N376 K381 M382N376-A378 PolarHBondContact O-N 3.17Å; N376-A378 VanDerWaalsContact O-N 3.12Å; N376-A378 WeakPolarHBondContact OD1-CB 3.37Å; N376-A378 PolarHBondContact OD1-N 2.85Å; A378-K381 PolarHBondContact O-N 3.45Å; A378-M382 PolarHBondContact O-N 3.44Å; A378-M382 VanDerWaalsContact O-N 3.11Å
379A60.3Low56.8Low33 Ų3393.6 Ų93.627%0.27352%0.515SS..Hα-helixtrans-68-41.8177.900000111.4N376 K381 M382 L383N376-A379 HydrophobicContact CB-CB 4.25Å; N376-A379 PolarHBondContact O-N 2.95Å; A379-K381 VanDerWaalsContact C-N 3.34Å; A379-K381 PolarHBondContact O-N 2.92Å; A379-M382 PolarHBondContact O-N 2.94Å; A379-L383 PolarHBondContact O-N 2.84Å
380L59.7Low56Low44 Ų4491 Ų9123%0.2352%0.518CS..Hα-helixtrans-55.3-46.3170.8-83.2169.6000112L374 N376 M382 L383 L384 L414 L417L374-L380 HydrophobicContact CD2-CD2 3.87Å; L374-L380 HydrophobicContact CD2-CG 4.46Å; L374-L380 WeakPolarHBondContact O-CD1 3.4Å; L374-L380 WeakPolarHBondContact O-CG 3.36Å; N376-L380 PolarHBondContact O-N 2.8Å; L380-M382 PolarHBondContact O-N 3.13Å; L380-L383 PolarHBondContact O-N 3.11Å; L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.07Å; L380-L414 HydrophobicContact CD2-CD2 3.55Å; L380-L417 HydrophobicContact CD1-CD2 4.4Å
381K55.5Low54.9Low159 Ų15996 Ų9669%0.69154%0.54SS*.Hα-helixtrans-63.1-37.2177.9-78.6-177176.5-174.40113.1P377 A378 A379 N385P377-K381 WeakPolarHBondContact O-CG 2.96Å; P377-K381 PolarHBondContact O-N 3.05Å; A378-K381 PolarHBondContact O-N 3.45Å; A379-K381 VanDerWaalsContact C-N 3.34Å; A379-K381 PolarHBondContact O-N 2.92Å; K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-N 3.3Å
382M58.8Low53.9Low149 Ų149102.3 Ų102.373%0.73456%0.564SS**Hα-helixtrans-65.5-47.2174.9-80.5-170.965.500112.4A378 A379 L380 L384 N385 V386A378-M382 PolarHBondContact O-N 3.44Å; A378-M382 VanDerWaalsContact O-N 3.11Å; A379-M382 PolarHBondContact O-N 2.94Å; L380-M382 PolarHBondContact O-N 3.13Å; M382-L384 VanDerWaalsContact C-N 3.35Å; M382-L384 PolarHBondContact O-N 3.14Å; M382-N385 PolarHBondContact O-N 3.36Å; M382-V386 PolarHBondContact O-N 3.36Å
383L56.1Low52.8Low102 Ų102107.1 Ų107.153%0.53458%0.58SS.*Hα-helixtrans-62.4-41.4176.8-84.4163000112.1L374 A379 L380 N385 V386 L387L374-L383 HydrophobicContact CD2-CD1 3.69Å; A379-L383 PolarHBondContact O-N 2.84Å; L380-L383 PolarHBondContact O-N 3.11Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3Å; L383-V386 PolarHBondContact O-N 3.36Å; L383-L387 PolarHBondContact O-N 2.97Å
384L54.8Low51.8Low92 Ų92107.3 Ų107.348%0.48259%0.592SS.*Hα-helixtrans-64.9-35.4177.2-161.474000112L380 M382 V386 L387 S388L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.07Å; M382-L384 VanDerWaalsContact C-N 3.35Å; M382-L384 PolarHBondContact O-N 3.14Å; L384-V386 VanDerWaalsContact C-N 3.32Å; L384-V386 PolarHBondContact O-N 3.46Å; L384-L387 PolarHBondContact O-N 2.73Å; L384-S388 WeakPolarHBondContact O-CB 3.23Å; L384-S388 PolarHBondContact O-N 2.73Å; L384-S388 PolarHBondContact O-OG 3.27Å
385N51.9Low51Low93 Ų93114.7 Ų114.750%0.49763%0.631SS.*Hα-helixtrans-65.3-33.5178.1-163.129.1000112.4K381 M382 L383 S388 Q389K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-N 3.3Å; M382-N385 PolarHBondContact O-N 3.36Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3Å; N385-S388 PolarHBondContact O-N 3.49Å; N385-Q389 PolarHBondContact O-N 3.33Å
386V42.5Very low49.9Very low118 Ų118117 Ų11772%0.71564%0.642SS**Hα-helixtrans-65.8-43.2172.8178.30000111M382 L383 L384 S388M382-V386 PolarHBondContact O-N 3.36Å; L383-V386 PolarHBondContact O-N 3.36Å; L384-V386 VanDerWaalsContact C-N 3.32Å; L384-V386 PolarHBondContact O-N 3.46Å; V386-S388 VanDerWaalsContact C-N 3.3Å; V386-S388 PolarHBondContact O-N 2.7Å
387L45.6Very low48.4Very low138 Ų138116.4 Ų116.472%0.72366%0.657SS**Hα-helixtrans-66.6-29.8174.4-66.3168.8000112.7L383 L384L383-L387 PolarHBondContact O-N 2.97Å; L384-L387 PolarHBondContact O-N 2.73Å
388S43.1Very low47.2Very low76 Ų76117.2 Ų117.253%0.53167%0.671SS.*Hα-helixtrans-77.8-20.2-174.8-57.30000114.4L384 N385 V386 G390L384-S388 WeakPolarHBondContact O-CB 3.23Å; L384-S388 PolarHBondContact O-N 2.73Å; L384-S388 PolarHBondContact O-OG 3.27Å; N385-S388 PolarHBondContact O-N 3.49Å; V386-S388 VanDerWaalsContact C-N 3.3Å; V386-S388 PolarHBondContact O-N 2.7Å; S388-G390 VanDerWaalsContact C-N 3.25Å; S388-G390 PolarHBondContact O-N 3.09Å
389Q43.3Very low45.7Very low156 Ų156119 Ų11973%0.72969%0.686SS**THydrogen-bonded Turntrans-83.53.5-178.8-68.5-168.97.900113.9N385 H391N385-Q389 PolarHBondContact O-N 3.33Å; Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-N 3.01Å; Q389-H391 VanDerWaalsContact O-N 3.15Å
390G45.2Very low44.5Very low60 Ų60123.2 Ų123.262%0.61971%0.71SS**  trans-81.230.4-179.800000116.2S388S388-G390 VanDerWaalsContact C-N 3.25Å; S388-G390 PolarHBondContact O-N 3.09Å
391H41.2Very low43.4Very low176 Ų176125.7 Ų125.782%0.81574%0.737SS**  trans-133.588.2179.8-93.647.9000113.2Q389Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-N 3.01Å; Q389-H391 VanDerWaalsContact O-N 3.15Å
392K40.1Very low42.8Very low209 Ų209124.7 Ų124.791%0.90974%0.738SS**  trans-130.3120.2149-72.4-170.8177.5-1770107.2G394K392-G394 PolarHBondContact O-N 3.02Å
393Q38.6Very low41.8Very low200 Ų200123.6 Ų123.694%0.93574%0.742SS**  trans-71.2120.7-173-69.5168-55.800110.8
394G37.8Very low41Very low71 Ų71125.2 Ų125.273%0.73275%0.75SS**  trans-88.2127.516600000110.1K392 L396K392-G394 PolarHBondContact O-N 3.02Å; G394-L396 PolarHBondContact O-N 3.48Å
395L43Very low40.8Very low175 Ų175125.5 Ų125.592%0.91675%0.752SS**SBendtrans-83.973.6-177.9-172.975.3000111.2
396L36.6Very low40.5Very low173 Ų173127.5 Ų127.591%0.90677%0.77SS**SBendtrans165.7126.3152.5-94.1159.3000111.8G394G394-L396 PolarHBondContact O-N 3.48Å
397G36.1Very low40.5Very low75 Ų75125.6 Ų125.677%0.77376%0.756SS**SBendtrans86.1130154.500000118.7
398A38.4Very low41.1Very low102 Ų102123.7 Ų123.784%0.84375%0.752SS**  trans29.4117.3159.700000120
399A30.8Very low41.5Very low99 Ų99122.9 Ų122.982%0.81875%0.749SS**PPolyproline II helixtrans-67.5139.1173.700000112.8
400P36Very low41.9Very low121 Ų121117.8 Ų117.879%0.78673%0.727SS**PPolyproline II helixtrans-71.3142171.630.6-34.3000110.9I402P400-I402 PolarHBondContact O-N 3.49Å
401A35.2Very low42.4Very low96 Ų96117.4 Ų117.479%0.79372%0.715SS**PPolyproline II helixtrans-64.8132.8174.900000111
402I44.6Very low43.2Very low138 Ų138111.7 Ų111.771%0.70870%0.698SS**PPolyproline II helixtrans-63133.1175.2-61173.8000108.7P400 L404P400-I402 PolarHBondContact O-N 3.49Å; I402-L404 PolarHBondContact O-N 2.91Å
403P37.7Very low44Very low126 Ų126104.1 Ų104.182%0.81867%0.674SS**  trans-70.282.5167.230.6-34000109L405P403-L405 PolarHBondContact O-N 3.33Å
404L38.9Very low45Very low136 Ų13697.2 Ų97.271%0.71264%0.644SS**  trans-56.6130.7169.5-71.5171.1000108.5I402I402-L404 PolarHBondContact O-N 2.91Å
405L49.8Very low46.3Very low97 Ų9799.7 Ų99.751%0.50864%0.639SS.*  trans-51.4133.9164.3-74.2162.4000107.8P403 N407P403-L405 PolarHBondContact O-N 3.33Å; L405-N407 PolarHBondContact O-N 3.45Å
406P45.8Very low47.3Very low136 Ų13697.5 Ų97.588%0.88362%0.624SS**SBendtrans-687.8-167.926.7-36.1000114.9
407N43.7Very low48.6Very low77 Ų7791.6 Ų91.641%0.41259%0.593SS.*  trans-130.8111.6171.7-176.6-15.8000109.6L405 A409 L410L405-N407 PolarHBondContact O-N 3.45Å; N407-A409 PolarHBondContact O-N 3.01Å; N407-A409 VanDerWaalsContact OD1-CB 3.26Å; N407-A409 WeakPolarHBondContact OD1-CB 3.41Å; N407-A409 PolarHBondContact OD1-N 2.77Å; N407-L410 HydrophobicContact CB-CD1 4.24Å; N407-L410 HydrophobicContact CB-CG 4.3Å; N407-L410 PolarHBondContact O-N 3.5Å; N407-L410 VanDerWaalsContact O-N 3.13Å
408P57.4Low49.8Very low99 Ų9992.2 Ų92.264%0.64358%0.579SS**Hα-helixtrans-66.9-17.5-178.428-35.2000113.7L410 S411 A412P408-L410 PolarHBondContact O-N 2.95Å; P408-S411 PolarHBondContact O-N 2.92Å; P408-S411 PolarHBondContact O-OG 2.81Å; P408-A412 WeakPolarHBondContact O-CB 3.41Å; P408-A412 PolarHBondContact O-N 3.33Å; P408-A412 VanDerWaalsContact O-N 3.1Å
409A50.6Low51Low58 Ų5892.8 Ų92.848%0.47957%0.567SS.*Hα-helixtrans-65.5-29.2173.700000112.1N407 A413N407-A409 PolarHBondContact O-N 3.01Å; N407-A409 VanDerWaalsContact OD1-CB 3.26Å; N407-A409 WeakPolarHBondContact OD1-CB 3.41Å; N407-A409 PolarHBondContact OD1-N 2.77Å; A409-A413 VanDerWaalsContact O-CB 3.26Å; A409-A413 WeakPolarHBondContact O-CB 3.42Å; A409-A413 PolarHBondContact O-N 2.78Å
410L52.9Low52.2Low50 Ų5093.8 Ų93.826%0.26256%0.555SS.*Hα-helixtrans-75.1-36.8179-64.8178000112.3L371 N407 P408 L414L371-L410 HydrophobicContact CD2-CD2 4.11Å; N407-L410 HydrophobicContact CB-CD1 4.24Å; N407-L410 HydrophobicContact CB-CG 4.3Å; N407-L410 PolarHBondContact O-N 3.5Å; N407-L410 VanDerWaalsContact O-N 3.13Å; P408-L410 PolarHBondContact O-N 2.95Å; L410-L414 WeakPolarHBondContact O-CB 3.46Å; L410-L414 PolarHBondContact O-N 2.76Å
411S54.2Low53.2Low51 Ų5191.7 Ų91.736%0.35754%0.537SS..Hα-helixtrans-70.1-39.6173.854.30000111.5P408 L414 L415P408-S411 PolarHBondContact O-N 2.92Å; P408-S411 PolarHBondContact O-OG 2.81Å; S411-L414 PolarHBondContact O-N 2.92Å; S411-L415 PolarHBondContact O-N 3.05Å
412A58.4Low54.1Low56 Ų5693.1 Ų93.146%0.46353%0.527SS..Hα-helixtrans-61.2-46.2172.200000112.2P408 L414 L415 Q416P408-A412 WeakPolarHBondContact O-CB 3.41Å; P408-A412 PolarHBondContact O-N 3.33Å; P408-A412 VanDerWaalsContact O-N 3.1Å; A412-L414 PolarHBondContact O-N 2.78Å; A412-L415 PolarHBondContact O-N 3.45Å; A412-Q416 WeakPolarHBondContact O-CB 3.45Å; A412-Q416 PolarHBondContact O-N 3.05Å
413A57.3Low54.4Low50 Ų5089.2 Ų89.241%0.41352%0.516SS..Hα-helixtrans-62.4-39.4177.800000112.9A409 Q416 L417A409-A413 VanDerWaalsContact O-CB 3.26Å; A409-A413 WeakPolarHBondContact O-CB 3.42Å; A409-A413 PolarHBondContact O-N 2.78Å; A413-Q416 PolarHBondContact O-N 2.86Å; A413-L417 WeakPolarHBondContact O-CB 3.45Å; A413-L417 PolarHBondContact O-N 3.01Å
414L60.8Low54.9Low56 Ų5689.9 Ų89.929%0.29351%0.506SS..Hα-helixtrans-61.6-42.6173.1-92.7162.2000112.3L374 L380 L410 S411 A412 L417 L418L374-L414 HydrophobicContact CD1-CD1 4.47Å; L374-L414 HydrophobicContact CD1-CD2 4.22Å; L374-L414 HydrophobicContact CD1-CG 4.44Å; L374-L414 HydrophobicContact CD2-CD2 4.21Å; L380-L414 HydrophobicContact CD2-CD2 3.55Å; L410-L414 WeakPolarHBondContact O-CB 3.46Å; L410-L414 PolarHBondContact O-N 2.76Å; S411-L414 PolarHBondContact O-N 2.92Å; A412-L414 PolarHBondContact O-N 2.78Å; L414-L417 PolarHBondContact O-N 3.11Å; L414-L418 WeakPolarHBondContact O-CB 3.06Å; L414-L418 PolarHBondContact O-N 2.98Å
415L64Low55.3Low122 Ų12286.6 Ų86.664%0.63950%0.498SS*.Hα-helixtrans-67.8-40.6178-160.473.7000111.8S411 A412 L418 L419S411-L415 PolarHBondContact O-N 3.05Å; A412-L415 PolarHBondContact O-N 3.45Å; L415-L418 WeakPolarHBondContact O-CB 3.1Å; L415-L418 PolarHBondContact O-N 2.9Å; L415-L419 PolarHBondContact O-N 3.35Å; L415-L419 VanDerWaalsContact O-N 3.08Å
416Q65.2Low55.2Low129 Ų12989 Ų8960%0.60351%0.506SS*.Hα-helixtrans-61.4-44175.2-159.676.217.500111.5A412 A413 L419 Q420A412-Q416 WeakPolarHBondContact O-CB 3.45Å; A412-Q416 PolarHBondContact O-N 3.05Å; A413-Q416 PolarHBondContact O-N 2.86Å; Q416-L419 PolarHBondContact O-N 3.35Å; Q416-Q420 WeakPolarHBondContact O-CB 3.49Å; Q416-Q420 PolarHBondContact O-N 3.38Å
417L63.6Low55.3Low49 Ų4989.7 Ų89.726%0.25750%0.498SS..Hα-helixtrans-70-30.8179.7-17165.3000112.6L380 A413 L414 N421L380-L417 HydrophobicContact CD1-CD2 4.4Å; A413-L417 WeakPolarHBondContact O-CB 3.45Å; A413-L417 PolarHBondContact O-N 3.01Å; L414-L417 PolarHBondContact O-N 3.11Å; L417-N421 PolarHBondContact O-N 2.56Å; L417-N421 VanDerWaalsContact O-N 3.16Å; L417-N421 PolarHBondContact O-ND2 2.96Å
418L60.2Low55.3Low89 Ų8994.1 Ų94.147%0.46652%0.516SS..Hα-helixtrans-64.5-50.6171.3-178.568.9000110.9L414 L415 Q420 N421 Q422L414-L418 WeakPolarHBondContact O-CB 3.06Å; L414-L418 PolarHBondContact O-N 2.98Å; L415-L418 WeakPolarHBondContact O-CB 3.1Å; L415-L418 PolarHBondContact O-N 2.9Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; L418-Q420 PolarHBondContact O-N 3.37Å; L418-N421 PolarHBondContact O-N 3.24Å; L418-Q422 PolarHBondContact O-N 2.69Å; L418-Q422 VanDerWaalsContact O-N 3.16Å
419L64.5Low54.8Low113 Ų11392.4 Ų92.459%0.59251%0.511SS*.Hα-helixtrans-60.1-43.9178.5-171.167.6000111.5L415 Q416 N421 Q422 A423L415-L419 PolarHBondContact O-N 3.35Å; L415-L419 VanDerWaalsContact O-N 3.08Å; Q416-L419 PolarHBondContact O-N 3.35Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 2.88Å; L419-Q422 PolarHBondContact O-N 2.81Å; L419-A423 PolarHBondContact O-N 2.85Å
420Q55.5Low54.4Low121 Ų12198.4 Ų98.457%0.56553%0.526SS*.Hα-helixtrans-68.9-26.7-179.5-162.8172.626.600113.4Q416 L418Q416-Q420 WeakPolarHBondContact O-CB 3.49Å; Q416-Q420 PolarHBondContact O-N 3.38Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; L418-Q420 PolarHBondContact O-N 3.37Å
421N56.4Low54.2Low77 Ų77103.7 Ų103.741%0.41255%0.554SS.*Hα-helixtrans-77.6-34.7172.6-86.5-67.9000113L417 L418 L419 K424 A425L417-N421 PolarHBondContact O-N 2.56Å; L417-N421 VanDerWaalsContact O-N 3.16Å; L417-N421 PolarHBondContact O-ND2 2.96Å; L418-N421 PolarHBondContact O-N 3.24Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 2.88Å; N421-K424 PolarHBondContact O-N 3.01Å; N421-A425 PolarHBondContact O-N 2.97Å
422Q54.7Low53.5Low126 Ų126104.1 Ų104.159%0.58957%0.566SS**Hα-helixtrans-62.6-42.5173.1-73.5-166.7-8.900111.8L418 L419 K424 A425 Q426L418-Q422 PolarHBondContact O-N 2.69Å; L418-Q422 VanDerWaalsContact O-N 3.16Å; L419-Q422 PolarHBondContact O-N 2.81Å; Q422-K424 VanDerWaalsContact C-N 3.28Å; Q422-K424 PolarHBondContact O-N 2.79Å; Q422-A425 PolarHBondContact O-N 3.04Å; Q422-A425 VanDerWaalsContact O-N 3.12Å; Q422-Q426 PolarHBondContact O-N 3.32Å; Q422-Q426 VanDerWaalsContact O-N 3.11Å
423A51.5Low52.8Low56 Ų56108 Ų10846%0.46358%0.579SS.*Hα-helixtrans-56.4-38.7177.500000113.3L419 Q426 Q427L419-A423 PolarHBondContact O-N 2.85Å; A423-Q426 PolarHBondContact O-N 3.03Å; A423-Q427 PolarHBondContact O-N 3.39Å
424K47.7Very low51.6Low140 Ų140114.6 Ų114.661%0.60960%0.601SS**Hα-helixtrans-68.3-38.4176.8-74-175.9175.9179.90113.1N421 Q422 Q426N421-K424 PolarHBondContact O-N 3.01Å; Q422-K424 VanDerWaalsContact C-N 3.28Å; Q422-K424 PolarHBondContact O-N 2.79Å; K424-Q426 VanDerWaalsContact C-N 3.31Å; K424-Q426 PolarHBondContact O-N 3.23Å
425A47.8Very low50.7Low66 Ų66119.8 Ų119.855%0.54563%0.628SS.*Hα-helixtrans-64.6-37.3175.700000111.8N421 Q422 Q428 A429N421-A425 PolarHBondContact O-N 2.97Å; Q422-A425 PolarHBondContact O-N 3.04Å; Q422-A425 VanDerWaalsContact O-N 3.12Å; A425-Q428 PolarHBondContact O-N 3.43Å; A425-A429 PolarHBondContact O-N 3.05Å
426Q48Very low49.6Very low148 Ų148121 Ų12169%0.69264%0.635SS**Hα-helixtrans-71.2-30.9-178.2-162.1167.5-5.600113.2Q422 A423 K424 A429Q422-Q426 PolarHBondContact O-N 3.32Å; Q422-Q426 VanDerWaalsContact O-N 3.11Å; A423-Q426 PolarHBondContact O-N 3.03Å; K424-Q426 VanDerWaalsContact C-N 3.31Å; K424-Q426 PolarHBondContact O-N 3.23Å; Q426-A429 PolarHBondContact O-N 3.31Å
427Q47.3Very low48.1Very low151 Ų151126.4 Ų126.471%0.70665%0.649SS**Hα-helixtrans-66.2-35.2172.2-88.3-174.7-26.800113.2A423 A429 F430A423-Q427 PolarHBondContact O-N 3.39Å; Q427-A429 VanDerWaalsContact C-N 3.3Å; Q427-A429 PolarHBondContact O-N 2.87Å; Q427-F430 PolarHBondContact O-N 2.86Å
428Q44.4Very low46.6Very low169 Ų169128.7 Ų128.779%0.7968%0.675SS**Hα-helixtrans-70.2-25.3177.2-106.6-179.7-24.900113.3A425A425-Q428 PolarHBondContact O-N 3.43Å
429A45.3Very low45.1Very low64 Ų64133.2 Ų133.253%0.52969%0.694SS.*Hα-helixtrans-73-28.1174.800000113.2A425 Q426 Q427 L431 G432A425-A429 PolarHBondContact O-N 3.05Å; Q426-A429 PolarHBondContact O-N 3.31Å; Q427-A429 VanDerWaalsContact C-N 3.3Å; Q427-A429 PolarHBondContact O-N 2.87Å; A429-L431 VanDerWaalsContact C-N 3.35Å; A429-L431 PolarHBondContact O-N 2.79Å; A429-G432 PolarHBondContact O-N 3.33Å
430F42.8Very low43.5Very low183 Ų183132.5 Ų132.580%0.80371%0.705SS**Hα-helixtrans-72.8-23.8-171.5-160.9-101000114.1Q427Q427-F430 PolarHBondContact O-N 2.86Å
431L48.7Very low42.1Very low161 Ų161130.1 Ų130.184%0.84371%0.713SS**THydrogen-bonded Turntrans-90.9-7.7178-67.5173.1000114A429A429-L431 VanDerWaalsContact C-N 3.35Å; A429-L431 PolarHBondContact O-N 2.79Å
432G39.9Very low40.9Very low60 Ų60134.7 Ų134.762%0.61974%0.736SS**THydrogen-bonded Turntrans-91.5-21.3-172.100000116.5A429A429-G432 PolarHBondContact O-N 3.33Å
433N43.6Very low39.6Very low137 Ų137136.2 Ų136.273%0.73375%0.747SS**  trans-109.47.8-157-9319.2000117L435N433-L435 VanDerWaalsContact C-N 3.28Å; N433-L435 PolarHBondContact O-N 3.48Å; N433-L435 VanDerWaalsContact O-N 3.09Å
434H32.7Very low38.3Very low190 Ų190136.4 Ų136.488%0.8875%0.754SS**THydrogen-bonded Turntrans-84.130.5-171.3-156.4-70.7000115.2
435L41.7Very low37.3Very low164 Ų164137.5 Ų137.586%0.85977%0.767SS**THydrogen-bonded Turntrans-140.9-2.7-172.5-88.7175000118.2N433N433-L435 VanDerWaalsContact C-N 3.28Å; N433-L435 PolarHBondContact O-N 3.48Å; N433-L435 VanDerWaalsContact O-N 3.09Å
436L40.3Very low36.4Very low148 Ų148141 Ų14178%0.77578%0.776SS**SBendtrans-129.61.5-166-83.4171.5000119.1
437W33.9Very low36.2Very low242 Ų242138.7 Ų138.792%0.91777%0.774SS**  trans-133.182171.7-84.8-73.1000113.3
438A32Very low35.2Very low97 Ų97139.4 Ų139.480%0.80278%0.782SS**  trans-137.655170.700000111.3
439Q28.4Very low34.3Very low185 Ų185136 Ų13686%0.86478%0.783SS**  trans-151.1137.6172.2-154.381.844.700111.2
440A31.6Very low33.3Very low98 Ų98137.2 Ų137.281%0.8179%0.793SS**  trans68.5113.2171.400000119.3
441G26Very low33Very low71 Ų71136.9 Ų136.973%0.73280%0.799SS**  trans-84.6-160.8148.900000110.6
442L30.1Very low32.2Very low173 Ų173134.2 Ų134.291%0.90679%0.791SS**  cis-136.8-171.711.3-68.1145.8000107.4
443I27.8Very low31.5Very low157 Ų157138.1 Ų138.181%0.80580%0.803SS**  cis-157.3145.930.2-63.5171.3000109.1
444G24.9Very low31.2Very low61 Ų61140.1 Ų140.163%0.62981%0.808SS**  trans73.2148.5151.500000118.7
445D26.3Very low31Very low163 Ų163140.7 Ų140.787%0.87281%0.811SS**  cis-153.8172-9-106.6-51000112.3
446N29.1Very low30.2Very low138 Ų138135.9 Ų135.974%0.73880%0.801SS**  trans-73.9179.3-178.6-129.1-0.7000112.5
447P44.1Very low29.6Very low100 Ų100135.4 Ų135.465%0.64980%0.804SS**  cis-139.8167-5.340.7-21.8000118.2
448L25.1Very low29.1Very low166 Ų166131.3 Ų131.387%0.86979%0.794SS**  trans33.6112.5140.6-60.9169.2000122.1
449A25.9Very low28.7Very low97 Ų97133.3 Ų133.380%0.80279%0.791SS**  trans-153.8108.5139.200000108.7
450A24.8Very low28.5Very low91 Ų91132.1 Ų132.175%0.75279%0.79SS**  71.398.190.600000115
451L35.4Very low28.1Very low176 Ų176130.7 Ų130.792%0.92178%0.784SS**  trans-66137.4142-72.7168.5000107.1
452P32.5Very low28Very low105 Ų105136.7 Ų136.768%0.68279%0.793SS**  -151.4151.9106.937.3-20.5000117
453V24.2Very low27.8Very low142 Ų142136 Ų13686%0.86179%0.789SS**  trans67.5129.2135.2173.50000120.8
454Q38.7Very low28.5Very low179 Ų179133.5 Ų133.584%0.83678%0.784SS**  trans-67.4157.2171.4-56.8156.8-54.900113.4
455Q27.8Very low28.7Very low202 Ų202139.7 Ų139.794%0.94480%0.796SS**  trans-123139.7143.3-65.1172.6-19.700106.4
456G25.6Very low28.7Very low63 Ų63135.5 Ų135.565%0.64979%0.791SS**  cis145.5158.8-2.700000110.8
457V26.4Very low28.4Very low138 Ų138132.6 Ų132.684%0.83679%0.794SS**  trans76130.6164.4-169.60000116.6
458H24.1Very low27.5Very low156 Ų156134.6 Ų134.672%0.72280%0.804SS**  cis-170.1168.1-27.1-115.5-74.9000109.1
459L24.6Very low27.5Very low138 Ų138132.8 Ų132.872%0.72380%0.8SS**  trans49.4118.8149.4-67.7157.5000119.3
460L22.9Very low28.1Very low161 Ų161133.8 Ų133.884%0.84380%0.798SS**  75.8119.671.7-171.5154.9000113.9
461G24.6Very low28.1Very low68 Ų68132.4 Ų132.470%0.70179%0.792SS**  trans176.165.3-18000000118.4
462E23.1Very low27.5Very low196 Ų196132.7 Ų132.792%0.91679%0.794SS**  trans62.3166.8150.5-58.5-128.210300123.8
463L25.9Very low27Very low158 Ų158131.3 Ų131.383%0.82779%0.791SS**  trans-105.3-173.4176.3-128.369.1000108.7
464P43.2Very low27Very low106 Ų106131.9 Ų131.969%0.68879%0.789SS**  cis-124.2-161.7-14.934.3-11.5000111
465Q28.1Very low26.2Very low191 Ų191131 Ų13189%0.89378%0.784SS**  cis-141171.39.4-57.5-179.828.200108.9
466G26.4Very low25.9Very low74 Ų74126.1 Ų126.176%0.76377%0.769SS**  cis165126.2-10.500000112.4
467G23.7Very low25.7Very low77 Ų77132.2 Ų132.279%0.79478%0.78SS**  trans85.2143.3175.600000115.4
468V25.4Very low25.5Very low142 Ų142129.8 Ų129.886%0.86178%0.775SS**  cis-141.2154.8-4.7-179.80000109.3
469V25.1Very low25.5Very low128 Ų128129.1 Ų129.178%0.77678%0.781SS**  trans-131.3158.9-171.4171.30000107.6
470P37.3Very low26.3Very low119 Ų119128.1 Ų128.177%0.77378%0.783SS**  cis-117.8-1690.520.75000112.5
471G24.5Very low26.3Very low61 Ų61126 Ų12663%0.62978%0.782SS**  cis117.7124.4-4.700000115.2
472L23.1Very low26.3Very low182 Ų182129.9 Ų129.995%0.95379%0.786SS**  trans66.5160.5168.8-54.4172.5000117.1
473A21.7Very low26.4Very low76 Ų76129.3 Ų129.363%0.62878%0.78SS**  cis-169.4159.8-34.500000110.8
474L24.5Very low27.1Very low154 Ų154127.8 Ų127.881%0.80678%0.78SS**  trans64.6133157.1-97.872.3000121.6
475Q21.8Very low26.4Very low160 Ų160126 Ų12675%0.74878%0.78SS**  trans76114.2142.4-67.6-140.677.200123.8
476T23Very low26.4Very low101 Ų101121.9 Ų121.962%0.6277%0.773SS**  75.5116.7113.7-46.70000122.1
477E20.4Very low26.6Very low190 Ų190127.1 Ų127.189%0.88878%0.782SS**  trans77.3151.8153.7-80-165.9114.200124.5
478A21.8Very low26.7Very low87 Ų87127 Ų12772%0.71978%0.782SS**  trans91.882.5144.400000125.5
479V25Very low26.9Very low142 Ų142132.8 Ų132.886%0.86179%0.788SS**  trans65.8-168.6130.8-134.10000120
480P41Very low27Very low117 Ų117129.9 Ų129.976%0.7678%0.784SS**  -124.5-178.5-11944.7-28.3000118.3
481S23.4Very low26.6Very low116 Ų116132.3 Ų132.381%0.81179%0.789SS**  trans-165.2166.2144.8-149.20000118.6
482L23.9Very low26.6Very low150 Ų150136.8 Ų136.879%0.78580%0.796SS**  trans-55.4151.7-169.7-63.3155000119.5
483K24.8Very low26.8Very low185 Ų185137 Ų13780%0.80478%0.784SS**  66.5162.563.9-95-168.6-177.8-178.80116.4
484P42Very low26.9Very low125 Ų125139 Ų13981%0.81278%0.78SS**  cis-105-139.710.345.1-36.9000113.2
485G26.9Very low27Very low68 Ų68138.8 Ų138.870%0.70178%0.775SS**  cis163.6171.2-2.700000111.4
486S29.8Very low27.1Very low106 Ų106138 Ų13874%0.74178%0.776SS**  cis178.1143.3-26.348.30000113.5
487L30Very low27.3Very low183 Ų183137.7 Ų137.796%0.95878%0.778SS**  trans74.8157.2166.9-59.2162.9000118.2
488G25.6Very low28.5Very low76 Ų76133.9 Ų133.978%0.78477%0.77SS**  cis-153-147.711.400000116.5
489R28.6Very low28.8Very low263 Ų263135.2 Ų135.299%0.99277%0.769SS**  trans-143.9148.4-153.2-171.6-166.5-160.7-152.39.5115
490G27.1Very low29Very low67 Ų67133.2 Ų133.269%0.69176%0.761SS**  trans150.9106.9149.400000124
491L29.1Very low28.4Very low169 Ų169134 Ų13489%0.88576%0.764SS**  67.1127.3124.4-72.4168000127.7
492M24.7Very low28.5Very low156 Ų156134.6 Ų134.677%0.76877%0.767SS**  trans71.3153.7138.3-114.9-175.5169.100120.9
493R27.2Very low28.5Very low186 Ų186130.7 Ų130.770%0.70276%0.763SS**  cis-164.1139.417-174.6171.7179.9-166.5-5.5116.2
494E24.2Very low28.7Very low117 Ų117131.5 Ų131.555%0.54777%0.767SS.*  trans42.1153.5150.1-66.5-172.285.100128.7
495Q27Very low29.2Very low150 Ų150130 Ų13070%0.70176%0.757SS**  trans71.8141.6148.7-77160.834.100119.6
496D23.6Very low29.3Very low143 Ų143134.6 Ų134.677%0.76576%0.76SS**  cis-148.6-179.3-5.9-141.5-38.8000111.8
497S27.8Very low29.7Very low96 Ų96135.6 Ų135.667%0.67176%0.762SS**  trans-125.5177.2-168.275.70000112.4
498P45.5Very low30.1Very low110 Ų110133.1 Ų133.171%0.71476%0.757SS**  cis-122.8-147.816.833-7.5000112
499T28.3Very low30.4Very low114 Ų114134.7 Ų134.770%0.69976%0.756SS**  cis-159.1129.513.6-16.10000113.4
500S29.6Very low31.6Very low100 Ų100127.6 Ų127.670%0.69974%0.744SS**  trans49.8149.8136.573.90000123.1
501V26.5Very low31.6Very low135 Ų135130.3 Ų130.382%0.81875%0.752SS**  cis-110.9-139.310.7-168.80000111.1
502C27.3Very low31.8Very low127 Ų127130.3 Ų130.386%0.85875%0.752SS**  trans-146.8166.6-160.8-64.50000110.2
503G24.1Very low32.4Very low69 Ų69128.5 Ų128.571%0.71175%0.752SS**  cis-170.8165.54.300000114.5
504F28Very low32.3Very low201 Ų201123 Ų12388%0.88275%0.754SS**  trans-156.9-177.4-168.2-101.6-45.3000107.1
505P51.6Low32.6Very low93 Ų93125.9 Ų125.960%0.60477%0.771SS**  cis-140.8-178.4-36.340-22.1000114.7
506Q29.6Very low32.4Very low166 Ų166123.5 Ų123.578%0.77677%0.771SS**  trans50.5125.7135.6-70.8160.620.700125.1
507T38Very low33Very low126 Ų126124.2 Ų124.277%0.77377%0.774SS**  2.7148.6128.758.10000121.3
508P39Very low33.3Very low131 Ų131125.3 Ų125.385%0.85178%0.778SS**  -146.5-174.210338.4-21.9000117
509S32.2Very low32.4Very low110 Ų110127.7 Ų127.777%0.76978%0.784SS**  trans-123.9-157.5-174.163.20000111.4
510P54.1Low32.4Very low113 Ų113130.9 Ų130.973%0.73479%0.793SS**  cis-136.6-179.7-18.840.7-23.6000115.2
511S26.6Very low32.2Very low124 Ų124130 Ų13087%0.86780%0.8SS**  trans179.7169.5144.332.30000114.9
512L32.4Very low32.1Very low169 Ų169127.2 Ų127.289%0.88580%0.799SS**  trans-115.6-173.6-173.4-66.5164.3000110.9
513P38.1Very low32.2Very low119 Ų119129.7 Ų129.777%0.77380%0.8SS**  cis-141.5168.6-0.142.7-24.6000118.5
514G24.2Very low32.3Very low71 Ų71135 Ų13573%0.73281%0.808SS**  83.5150.4121.200000125.2
515I30.4Very low32.2Very low176 Ų176128.9 Ų128.990%0.90380%0.802SS**  trans87.4154155.6-53.4177.6000118.2
516S24.2Very low31Very low101 Ų101128.5 Ų128.571%0.70681%0.807SS**  trans-130.2153-160.2-43.30000114.6
517L34.9Very low30.8Very low158 Ų158128.6 Ų128.683%0.82781%0.813SS**  trans48.4128.2151.3-78.2158.4000120.7
518P34.7Very low30.3Very low118 Ų118126.1 Ų126.177%0.76681%0.812SS**  -129.3160.888.911.311000112.3
519L26.7Very low29.7Very low160 Ų160131.7 Ų131.784%0.83882%0.816SS**  75.5131.551.4-155.985.9000115.3
520M28.3Very low29.5Very low181 Ų181133.4 Ų133.489%0.89282%0.822SS**  trans102.7123.4159.4-160.391.911300118.7
521G25.1Very low28.3Very low81 Ų81132 Ų13284%0.83582%0.82SS**  trans76.4163.9154.800000118.3
522G25.5Very low28.4Very low77 Ų77135.8 Ų135.879%0.79482%0.824SS**  cis156.5102.1-13.600000116.5
523M28.3Very low28.2Very low179 Ų179131.1 Ų131.188%0.88282%0.816SS**  trans78.4133.1148.5-157.4156.469.900121.3
524M26.8Very low27.8Very low180 Ų180132.6 Ų132.689%0.88782%0.823SS**  trans66.3130.1150.6-82-68-168.200123.8
525G24.8Very low28Very low73 Ų73134.4 Ų134.475%0.75383%0.825SS**  trans84.8162.1146.200000117.8
526A27Very low28.1Very low85 Ų85134.3 Ų134.370%0.70282%0.823SS**  cis-165.9148.2-20.600000109.4
527D25.1Very low28.3Very low169 Ų169137.3 Ų137.390%0.90483%0.83SS**  trans57.3172.9165.9-55.1-46.4000116.6
528G27.3Very low27.9Very low73 Ų73132.8 Ų132.875%0.75382%0.821SS**  cis-156.9167.2-200000112.7
529R26.2Very low27.6Very low248 Ų248134 Ų13494%0.93682%0.821SS**  trans-83.5144.6-171.6-59.1163.8164.1-174.8-6.6114.3
530T28.7Very low27.6Very low147 Ų147133.5 Ų133.590%0.90282%0.819SS**  trans-160.6171142.441.20000110.4
531A28.6Very low28.5Very low82 Ų82129.9 Ų129.968%0.67881%0.809SS**  -158.5140.9-78.800000111.6
532Q28Very low28.8Very low204 Ų204133.9 Ų133.995%0.95380%0.803SS**  trans60.8152.7164.5-63.1172.4-35.200118
533G29.2Very low29Very low71 Ų71137.3 Ų137.373%0.73280%0.799SS**  cis151.5132.5-11.700000113.5
534V28.8Very low28.9Very low151 Ų151137.1 Ų137.192%0.91580%0.798SS**  trans-145.6144.2167.2-169.70000109.2
535S30Very low28.9Very low109 Ų109134.1 Ų134.176%0.76279%0.785SS**  trans-112153.3-178.1-56.40000112.6
536M31.4Very low29Very low174 Ų174139.6 Ų139.686%0.85779%0.788SS**  trans-158.8120.1142.7-92.7-46.1-150.900112.5
537L28.4Very low29.9Very low163 Ų163140.3 Ų140.385%0.85379%0.786SS**  46.4127.7129.7-147.169.7000120.8
538G27.4Very low30.2Very low63 Ų63141.2 Ų141.265%0.64979%0.785SS**  cis173.8159.5-6.300000113.7
539D28.1Very low30.2Very low144 Ų144143.9 Ų143.977%0.7779%0.792SS**  trans50.3125.2155.9-58.6-27.1000122.2
540L27.3Very low30.3Very low149 Ų149136 Ų13678%0.7878%0.78SS**  81.8155.664.3-85.4166.6000114.5
541P46.2Very low30.3Very low106 Ų106138.3 Ų138.369%0.68878%0.778SS**  cis-143.8166.7-2.443.6-24.7000119.8
542K32.7Very low30.6Very low165 Ų165140.6 Ų140.672%0.71778%0.778SS**  trans52.6141.7131.6-71.2177.6153.4-1390128.7
543E28.3Very low30.6Very low149 Ų149137.8 Ų137.870%0.69677%0.77SS**  trans74.8135.2132.6-74.8167-148.800125.3
544M26.6Very low30.7Very low175 Ų175138.4 Ų138.486%0.86277%0.768SS**  -173.7-175.7118.2-157.137.9159.100113.3
545N26Very low30.6Very low117 Ų117136.7 Ų136.763%0.62676%0.762SS**  trans-117.1154.8-154.7-76.6-81.6000118.8
546F26.9Very low30.6Very low187 Ų187137.4 Ų137.482%0.8276%0.762SS**  trans18.3173.7136.2-73.6-66.9000124.5
547P46.2Very low30.4Very low101 Ų101139.1 Ų139.166%0.65676%0.761SS**  cis-143.3177-13.630.7-6.3000119.4
548Q31.7Very low31.4Very low188 Ų188136.3 Ų136.388%0.87975%0.752SS**  trans55.9136.8138.7-76.3175.3-22.700127.3
549S26.8Very low31.5Very low128 Ų128139.1 Ų139.190%0.89576%0.762SS**  -176174.612337.50000112.3
550A28.3Very low31.6Very low84 Ų84137.1 Ų137.169%0.69477%0.765SS**  trans-153.6-166.7-162.500000116.7
551F30.3Very low31.6Very low194 Ų194135.2 Ų135.285%0.85176%0.764SS**  trans91.7149.2175.2-53-56.7000117.3
552L33.8Very low30.8Very low130 Ų130135.8 Ų135.868%0.68177%0.771SS**  cis-164.5153.5-9.9-108.2168000112.9
553N28Very low30.7Very low145 Ų145138.9 Ų138.978%0.77578%0.778SS**  trans54.9159.2150.4-72.4-7.3000123.4
554A30.9Very low31.4Very low84 Ų84136.1 Ų136.169%0.69477%0.773SS**  cis-173.1143.5-27.100000112.3
555S27Very low31.6Very low115 Ų115136 Ų13680%0.80477%0.77SS**  trans164.7158.8154.8-78.10000111.8
556V29.9Very low32.6Very low125 Ų125135.3 Ų135.376%0.75877%0.772SS**  cis89.9137.99.3-178.20000115.3
557Y28.3Very low32.9Very low210 Ų210136.5 Ų136.582%0.82477%0.772SS**  cis179.7-178-36.1-106.4-36.2000108.8
558P49.7Very low32.2Very low103 Ų103143.6 Ų143.667%0.66979%0.786SS**  cis-137.3179.6-23.138.1-19000116.9
559S28.6Very low32Very low122 Ų122144.1 Ų144.185%0.85379%0.786SS**  trans71.8155.5152.1-70.30000120.5
560A29.6Very low32.1Very low102 Ų102149 Ų14984%0.84378%0.784SS**  cis-130.6-173.79.500000114
561S28.6Very low32.4Very low109 Ų109150.9 Ų150.976%0.76279%0.79SS**  trans-140.1145.2-161.8176.90000115.1
562S29.3Very low32.2Very low118 Ų118148.1 Ų148.183%0.82579%0.789SS**  trans-155.8159.6153.9610000112.1
563R29.9Very low32.6Very low230 Ų230147.2 Ų147.287%0.86879%0.791SS**  trans-157174.7-163.7-90.9-171.5-178.7-1692.9109
564P43.3Very low32.5Very low92 Ų92145.4 Ų145.460%0.59779%0.79SS**  cis-141.6-169.1-30.536-15.5000114.9
565H31.1Very low32.2Very low171 Ų171149.3 Ų149.379%0.79280%0.799SS**  trans83.9155.6149.8-68.8-28.8000120.9
566P46.2Very low32.3Very low104 Ų104149.1 Ų149.168%0.67579%0.793SS**  -139.1-177.4-5537.3-19000115.9
567Y32.6Very low32.2Very low211 Ų211148.2 Ų148.283%0.82779%0.792SS**  trans88.181.8166.9-85.7-94.1000121.3
568R31.3Very low32.3Very low251 Ų251144.4 Ų144.495%0.94779%0.786SS**  trans-151.3128.1134.6-155171.1-171.7166.53.8110.1
569K29.1Very low31.2Very low199 Ų199146.6 Ų146.687%0.86579%0.787SS**  trans-87.7130.7179.1-74.3-173.1176.3-177.60111.8
570R28Very low31.1Very low229 Ų229148.2 Ų148.286%0.86478%0.781SS**  trans-151.9131.5157.8-178.8-171-74.7-163.8-2.4107.7
571P33.8Very low30.9Very low124 Ų124149.6 Ų149.681%0.80578%0.779SS**  trans-74.8148.1171.9-1530.8000112.7
572T27.9Very low30.8Very low137 Ų137152.8 Ų152.884%0.8478%0.781SS**  trans-102.9164.7170.722.20000111.7
573P41.3Very low30.8Very low110 Ų110156.4 Ų156.471%0.71479%0.785SS**  trans-102.1-175-172.941.1-37.1000114.3
574S26.1Very low30.6Very low108 Ų108152.1 Ų152.176%0.75578%0.779SS**  trans83.7136.1154.476.40000120.2
575N24.4Very low29.8Very low165 Ų165156.1 Ų156.188%0.88279%0.792SS**  trans-152.6151.5133.9-147.1-8.5000109.1
576V29.6Very low29.6Very low112 Ų112155.5 Ų155.568%0.67979%0.789SS**  trans-150.7141-162.6-170.90000114.1
577S27.4Very low29Very low105 Ų105156.7 Ų156.773%0.73480%0.797SS**  trans-167.2128149.1-84.60000108.9
578N29.5Very low28.7Very low131 Ų131153 Ų15370%0.70179%0.792SS**  77.9133.965.9-76.7-17.8000112.8
579Q27.3Very low28.6Very low148 Ų148151.8 Ų151.869%0.69279%0.789SS**  cis-159.315914.8-126.9178.6108.400113.7
580H26.8Very low28.4Very low156 Ų156149.2 Ų149.272%0.72278%0.784SS**  trans68152.9167.5-69.440.4000116.6
581T25.3Very low28.6Very low132 Ų132146.3 Ų146.381%0.8179%0.785SS**  cis-130.7177.513.6-26.40000112.5
582H27.5Very low28.4Very low175 Ų175151.4 Ų151.481%0.8179%0.788SS**  trans-65.1134.1-178.8-78.1-126.7000114.7
583H27.9Very low28.4Very low195 Ų195155.3 Ų155.390%0.90379%0.789SS**  -163.1179.1113-118.2-46.2000112.9
584N26Very low27.7Very low140 Ų140158 Ų15875%0.74979%0.792SS**  trans-130126-170.3166.232.7000109.1
585M27.1Very low27.7Very low175 Ų175159.9 Ų159.986%0.86279%0.794SS**  trans-159.9160158.7-124.1-170.5-178.900115
586Q27.7Very low27.8Very low158 Ų158157 Ų15774%0.73879%0.787SS**  trans-89.8158.3179.4-60.3155.1-68.500111.2N588Q586-N588 PolarHBondContact O-N 3.42Å
587P33.1Very low27.7Very low129 Ų129163.2 Ų163.284%0.83880%0.8SS**  trans-69.8122166.129.8-32.9000110
588N26.4Very low27.7Very low134 Ų134163.8 Ų163.872%0.71780%0.804SS**  trans-122.8127.8179.9-164.51.3000109.5Q586Q586-N588 PolarHBondContact O-N 3.42Å
589Y27.8Very low28.4Very low225 Ų225162.8 Ų162.888%0.88280%0.804SS**  trans-94.1122.1176.4-83.5-82.3000109.5
590N26.1Very low28.2Very low145 Ų145165 Ų16578%0.77582%0.815SS**  trans-140.4121.3179.8-140.1-22.8000109.9
591L31.7Very low28.3Very low169 Ų169168.1 Ų168.189%0.88582%0.822SS**PPolyproline II helixtrans-101.7128.7175.2-86.8164.3000108.5
592R28.8Very low29.4Very low230 Ų230166.8 Ų166.887%0.86882%0.816SS**PPolyproline II helixtrans-79.4131.4-177.8-75.3-171.7172.6-160.9-2.4111.8
593Y28.5Very low30.2Very low220 Ų220163.9 Ų163.986%0.86381%0.812SS**PPolyproline II helixtrans-80.3156.9142.1-95.6-104.4000109.4
594Q27.3Very low31.2Very low165 Ų165159.5 Ų159.577%0.77180%0.801SS**  trans-145.5106.6177.1-170.11702.800109.4
595D26.2Very low31.3Very low148 Ų148159.9 Ų159.979%0.79180%0.802SS**  trans-74.9157.9175.9-66.5-71.9000112.1
596S25.9Very low31.3Very low105 Ų105158.6 Ų158.673%0.73479%0.794SS**  trans-160.1101.3169.3-74.70000111.6
597Y28Very low31.4Very low242 Ų242158.1 Ų158.195%0.94979%0.792SS**  trans-151.4153152.3-106.3-77.6000109.4
598S27.7Very low31Very low118 Ų118158.2 Ų158.283%0.82579%0.785SS**  trans-114.4164-169.2-69.90000112.8
599P44.1Very low31Very low109 Ų109155.4 Ų155.471%0.70878%0.781SS**  trans-109.2167.7-156.240.9-35.4000115.8
600E22.8Very low31Very low196 Ų196153 Ų15392%0.91678%0.782SS**  trans-140.9167.7157.5-104.5177.3158.900110.6
601Y28.4Very low31.1Very low220 Ų220150.8 Ų150.886%0.86378%0.784SS**  trans-113.3166.7-158.8-109-121000115.4
602P48.9Very low31Very low105 Ų105153.9 Ų153.968%0.68279%0.786SS**  trans-99.1-152.8-167.344.2-37.9000111.9
603P44.4Very low30.9Very low113 Ų113148.2 Ų148.273%0.73478%0.782SS**  cis-142.4-143.60.244.6-22.1000113.4
604P49.1Very low30.8Very low104 Ų104148.8 Ų148.868%0.67578%0.784SS**  cis-124.4173.4-40.130.3-12.2000114.4
605L27.3Very low30.8Very low148 Ų148149.9 Ų149.978%0.77579%0.789SS**  173.7108.4118.2-91.9173.1000115.4
606Q27.3Very low30.7Very low147 Ų147151.4 Ų151.469%0.68779%0.791SS**  64.6104.9128.6-157.8161.74.300124.5
607Q28.6Very low30.7Very low149 Ų149153.9 Ų153.970%0.69679%0.791SS**  trans61.9148.8135.5-65.7-175.2-80.200121.8
608D25.7Very low30.7Very low130 Ų130150.4 Ų150.470%0.69578%0.784SS**  cis-159.8169.5-9.1-127.7-44.7000113.7
609A26.9Very low30.8Very low75 Ų75150.9 Ų150.962%0.6278%0.777SS**  trans59.3121149.100000125.4
610L27.9Very low30.1Very low175 Ų175153.5 Ų153.592%0.91678%0.784SS**  trans68121.3136.1-62.2172.4000123.8
611A28Very low30.3Very low99 Ų99149.7 Ų149.782%0.81878%0.778SS**  -167.4132.1128.300000112.6
612Y29Very low30.3Very low233 Ų233146.5 Ų146.591%0.91478%0.781SS**  trans-151.5160.3167.2-119.9-88.1000108.3
613S26Very low29.2Very low112 Ų112144.7 Ų144.778%0.78378%0.782SS**  trans90.6135.9171.4-48.40000118.5
614Y26.7Very low28.4Very low232 Ų232143.8 Ų143.891%0.9178%0.784SS**  trans-149.8165.4156-124.6-93.2000107.9
615E28Very low27.4Very low188 Ų188146.8 Ų146.888%0.87979%0.793SS**  trans82.652.2-176-60.5-161.279.900118.5
616Q24.5Very low27.6Very low179 Ų179144.7 Ų144.784%0.83680%0.797SS**  trans-147.2147.2134.3-117.6173.4-10.400105.9
617Q26.4Very low27.6Very low158 Ų158140.6 Ų140.674%0.73879%0.794SS**  cis-160.7157.721.8178.5158.9-21.500110.8
618E27.4Very low27.7Very low168 Ų168144 Ų14479%0.78581%0.807SS**  trans-102.3155.2161.4-86.7-156.9130.700112.3
619N28.8Very low27.8Very low128 Ų128141.1 Ų141.168%0.68481%0.808SS**  trans79.9116.5162.1-77.1-62.8000121.1
620L31.1Very low28.1Very low165 Ų165145.4 Ų145.486%0.86482%0.816SS**  trans101.5141.7141.4-69.5163.2000120.1
621C25.6Very low28.3Very low116 Ų116143.4 Ų143.478%0.78480%0.801SS**  trans-105.1160.9-156.8-49.60000113.3
622V28.7Very low28.2Very low153 Ų153147 Ų14793%0.92780%0.799SS**  177.3145.9127.3145.30000109.2
623G26.5Very low28.1Very low67 Ų67140.6 Ų140.669%0.69179%0.788SS**  trans11073.1151.900000120.1
624A27Very low28.2Very low94 Ų94145.2 Ų145.278%0.77779%0.789SS**  trans53.7137.2130.200000124.6
625L29Very low28.2Very low166 Ų166141.5 Ų141.587%0.86978%0.78SS**  trans81.2113.1140.9-76.4164.1000123
626A30.6Very low29Very low104 Ų104137.4 Ų137.486%0.8677%0.769SS**  trans64148.4141.700000120.4
627G28Very low29.4Very low61 Ų61134 Ų13463%0.62976%0.757SS**  cis169.7166.7-5.500000112.9
628F29.3Very low29.7Very low221 Ų221136.5 Ų136.597%0.96976%0.761SS**  trans65.9151.5-174.1-59.4-92.1000114.4
629G28.1Very low29.8Very low70 Ų70132.9 Ų132.972%0.72275%0.754SS**  cis117.113411.900000109.5
630Q34.5Very low29.9Very low165 Ų165133.2 Ų133.277%0.77175%0.751SS**  cis-158.7158.316.2-127.3177.32.100110.3
631Q31.4Very low29.7Very low132 Ų132135.2 Ų135.262%0.61775%0.747SS**  trans34.3153.1136.5-71.7168.9-13.200121.6
632F26.4Very low29.7Very low175 Ų175137.3 Ų137.377%0.76874%0.743SS**  cis-164.1173.63.5-114.5-34.7000106.4
633S27Very low30.5Very low99 Ų99136.2 Ų136.269%0.69274%0.74SS**  cis-157.3-155.6-2.746.60000106
634R26.8Very low30.6Very low209 Ų209139.5 Ų139.579%0.78974%0.737SS**  cis-162.6174.36.5-152.6-157.6146.21163109.2
635Q27.6Very low30.8Very low154 Ų154146.1 Ų146.172%0.7274%0.743SS**  trans-124.1-176.7158.9-65.9178.4-70.400110.1
636P45.2Very low30.7Very low102 Ų102142.6 Ų142.666%0.66274%0.738SS**  -133.2177.898.138.2-30.8000112.3
637D31.6Very low30.8Very low108 Ų108144.6 Ų144.658%0.57873%0.734SS**  cis-164.9-177.1-35.1-77.7-31.7000103.2
638Y33Very low31.6Very low210 Ų210147.4 Ų147.482%0.82474%0.741SS**  cis-145.5-159.310.9-108.9-77.6000105.3
639S29.3Very low31.6Very low91 Ų91142.2 Ų142.264%0.63673%0.733SS**  cis-160178.16.9-142.60000112.7
640E31.1Very low31.9Very low135 Ų135143.8 Ų143.863%0.63173%0.733SS**  trans32.5132.1156.4-62.8-149.9-178.800122.5
641R26.5Very low33.1Very low207 Ų207141.4 Ų141.478%0.78173%0.732SS**  cis-158.5169.9-4.1-133.4179.8-171.5121.911.7114.2
642F26.2Very low34.1Very low160 Ų160140 Ų14070%0.70273%0.733SS**  trans-90.3169.7-171.6-88.9-68.1000115.1H644F642-H644 AromaticContact CD1-CD2 3.89Å; F642-H644 AromaticContact CD1-CE1 3.51Å; F642-H644 AromaticContact CD1-NE2 3.33Å; F642-H644 VanDerWaalsContact CD1-NE2 3.33Å; F642-H644 WeakPolarHBondContact CD1-NE2 3.47Å; F642-H644 AromaticContact CE1-CE1 3.24Å; F642-H644 WeakPolarHBondContact CE1-CE1 3.24Å; F642-H644 AromaticContact CE1-NE2 3.47Å; F642-H644 WeakPolarHBondContact CE1-NE2 3.33Å; F642-H644 AromaticContact CG-NE2 3.77Å; F642-H644 AromaticContact CZ-CE1 3.89Å; F642-H644 AromaticContact CZ-NE2 3.99Å
643P46.5Very low34.2Very low130 Ų130139.3 Ų139.384%0.84474%0.737SS**  -142.9-17572.434.9-12000118
644H28.7Very low34.3Very low136 Ų136139.2 Ų139.263%0.6374%0.737SS**  trans-127.7174.1-161.1-57.9-96.9000115.7F642F642-H644 AromaticContact CD1-CD2 3.89Å; F642-H644 AromaticContact CD1-CE1 3.51Å; F642-H644 AromaticContact CD1-NE2 3.33Å; F642-H644 VanDerWaalsContact CD1-NE2 3.33Å; F642-H644 WeakPolarHBondContact CD1-NE2 3.47Å; F642-H644 AromaticContact CE1-CE1 3.24Å; F642-H644 WeakPolarHBondContact CE1-CE1 3.24Å; F642-H644 AromaticContact CE1-NE2 3.47Å; F642-H644 WeakPolarHBondContact CE1-NE2 3.33Å; F642-H644 AromaticContact CG-NE2 3.77Å; F642-H644 AromaticContact CZ-CE1 3.89Å; F642-H644 AromaticContact CZ-NE2 3.99Å
645Y30Very low34.4Very low234 Ų234133.4 Ų133.492%0.91873%0.728SS**  trans141.5144.7138.7-84.8-68000111.1
646A27.7Very low34.6Very low92 Ų92136.8 Ų136.876%0.7674%0.736SS**  cis-153.3172.3-500000110.8
647D31.2Very low33.9Very low145 Ų145141 Ų14178%0.77574%0.744SS**  trans-106.7164.3175.3-16225.3000110.8
648P46.5Very low33.7Very low120 Ų120140 Ų14078%0.77975%0.745SS**  -157-176.410841.5-21.9000118.1
649S28Very low33.5Very low113 Ų113135.3 Ų135.379%0.7974%0.744SS**  trans-91.1175.7-166.359.70000119.1
650S34.5Very low33.6Very low103 Ų103134.2 Ų134.272%0.7275%0.746SS**  trans-76.1-170.1170.761.80000113.8
651P61Low34.4Very low115 Ų115134 Ų13475%0.74776%0.757SS**  cis-125.1-124.4-6.436.7-13.8000110.6
652P52.1Low34.5Very low101 Ų101133 Ų13366%0.65676%0.761SS**  cis-129-177.4-41.434.6-15.2000114.7
653L28.7Very low34.5Very low162 Ų162130.4 Ų130.485%0.84877%0.769SS**  162.1124.6128.2-87.6165.1000118.5
654S28.4Very low33.7Very low97 Ų97129.1 Ų129.168%0.67876%0.763SS**  trans54.6113.2132.7-139.40000126.3
655S29.3Very low33.7Very low87 Ų87127.8 Ų127.861%0.60877%0.769SS**  58.6127.3125.968.10000124
656Y30.9Very low35.2Very low225 Ų225121.9 Ų121.988%0.88276%0.76SS**  -155.5165105.1-109.3-75.1000112.7
657F30.2Very low36.3Very low189 Ų189123.1 Ų123.183%0.82976%0.76SS**  trans-74.2164.8-174.1-93.9-129.3000114.2
658S28.1Very low36.3Very low87 Ų87120.2 Ų120.261%0.60876%0.756SS**  cis-169.1177.2-13.3-1230000112.5
659S29Very low35.5Very low113 Ų113119.9 Ų119.979%0.7975%0.752SS**  trans62.9123.215057.40000121.9
660G31.4Very low35.9Very low67 Ų67122.2 Ų122.269%0.69175%0.75SS**  trans-81.3-169.2144.700000111.5
661P47.9Very low35.9Very low131 Ų131123.9 Ų123.985%0.85175%0.75SS**  -147.4-136.864.443.7-23.8000114.3
662E27.7Very low34.6Very low185 Ų185125.3 Ų125.386%0.86475%0.751SS**  trans-66.5-177.6-166.9-53.7171.896.900117.7
663A26.1Very low33.7Very low106 Ų106129.9 Ų129.988%0.87676%0.761SS**  trans105.3158.4147.100000117.8
664S30.1Very low33.9Very low104 Ų104126.8 Ų126.873%0.72776%0.759SS**  trans-125.6158.8-166.655.70000111.9
665S28.2Very low34.1Very low107 Ų107129.4 Ų129.475%0.74877%0.77SS**  trans68.6-178.8164.785.60000115.6
666P63Low34.1Very low111 Ų111127.9 Ų127.972%0.72177%0.768SS**  cis-126.1-136.9-47.632-10.2000107.7
667P50.8Low34.4Very low118 Ų118125.6 Ų125.677%0.76677%0.768SS**  cis-132.3-149.1-20.340.6-20000113.5
668A30.6Very low35.7Very low83 Ų83121.5 Ų121.569%0.68676%0.76SS**  trans80.987.8172.800000116.6
669T30.6Very low36.7Very low114 Ų114123.6 Ų123.670%0.69977%0.772SS**  77.2114.268.563.50000116.2
670H34.5Very low36.8Very low161 Ų161121.4 Ų121.475%0.74577%0.766SS**  177.7127.7104.1-97.1-79.8000114.7
671L36.2Very low36.7Very low139 Ų139124.8 Ų124.873%0.72877%0.774SS**  trans62.691.3141.7-59.4171000123.7
672N32Very low36Very low145 Ų145127.8 Ų127.878%0.77578%0.776SS**  52.9136.7106.7-75.8-39.7000125.3
673K33Very low36Very low196 Ų196124.6 Ų124.685%0.85277%0.774SS**  trans79.897.1140.7-82.9-174172.1-178.60122.4
674A34.2Very low36.2Very low97 Ų97123.9 Ų123.980%0.80277%0.768SS**  33.3112.9118.500000121.7
675V32.9Very low37.1Very low153 Ų153125 Ų12593%0.92777%0.773SS**  trans-144.2153.6143.5173.80000107.7
676G28.6Very low37.2Very low54 Ų54130.6 Ų130.656%0.55778%0.779SS**  trans-154.7158.9164.900000111.3
677M37.3Very low37.2Very low178 Ų178130.4 Ų130.488%0.87778%0.778SS**  trans-160.4158.3168.7-93.2-55.5100.500111.7
678P57.3Low37.5Very low102 Ų102130.6 Ų130.666%0.66278%0.779SS**  trans-96.9-166.1175.343.2-35.6000111.1
679P49.7Very low37.3Very low132 Ų132133.6 Ų133.686%0.85778%0.784SS**  -135.7170.97333.9-16000113.7
680G30.4Very low37.2Very low66 Ų66134.5 Ų134.568%0.6879%0.789SS**  cis179172.4-2.400000111.3
681T29.5Very low37Very low139 Ų139130.5 Ų130.585%0.85379%0.791SS**  trans-136.9140.1-173.538.30000114.1
682H32.4Very low36.8Very low194 Ų194131.6 Ų131.690%0.89880%0.798SS**  trans-136.1138152.3-65.3-90.1000105.9
683S28.1Very low36.8Very low118 Ų118130.8 Ų130.883%0.82580%0.798SS**  cis-153.4158.9-3.449.10000110.6
684A31.5Very low37Very low90 Ų90129.6 Ų129.674%0.74480%0.797SS**  trans-83.6-174.3177.900000111.6
685P47.5Very low36.9Very low127 Ų127134.7 Ų134.783%0.82580%0.801SS**  cis-141.9-144.515.144.7-22000116.9
686Y30.3Very low37Very low226 Ų226133.8 Ų133.889%0.88680%0.796SS**  trans-88.7172.9-156.4-95.5-109.2000116.5
687P63.8Low37.7Very low107 Ų107137.1 Ų137.170%0.69581%0.808SS**  trans-85.2-171.8-176.441.5-38.3000111.9
688P56.2Low37.4Very low121 Ų121136.5 Ų136.579%0.78681%0.805SS**  cis-149.9-165.82542.9-18.9000119.1
689D26.5Very low36Very low147 Ų147137.8 Ų137.879%0.78681%0.806SS**  trans103.9154.4144.6-147.624000121
690V30.3Very low35Very low132 Ų132136.4 Ų136.480%0.880%0.799SS**  trans21.8127.9171174.60000120.2
691G28.8Very low35.2Very low77 Ų77140.7 Ų140.779%0.79480%0.802SS**  trans-176.3123158.200000115.5
692N33.4Very low35.4Very low163 Ų163141.8 Ų141.887%0.87280%0.795SS**  trans-107.2177.2176.6-144.5-15.1000110.7
693V31.2Very low35.6Very low128 Ų128142.7 Ų142.778%0.77679%0.79SS**  trans100.4124.4163.7-171.80000119
694M36.3Very low35.6Very low170 Ų170143.6 Ų143.684%0.83779%0.791SS**  trans-52.2160.1175-61.2133144.800117.8
695K32.8Very low35.9Very low205 Ų205148.4 Ų148.489%0.89180%0.795SS**  -163.4130.9124.4-100.2141.9-171.5172.90113.8
696T35.9Very low35.4Very low134 Ų134147 Ų14782%0.82279%0.788SS**  trans-93.2153.1156.242.50000109.2
697P43.4Very low35.7Very low123 Ų123147.7 Ų147.780%0.79979%0.789SS**  -137.9163.388.121.80.7000112.5
698M30.3Very low34.5Very low166 Ų166149.4 Ų149.482%0.81879%0.792SS**  cis104.1112.130.9-142.7-165.8101.900114.7
699N27Very low33.5Very low129 Ų129151.6 Ų151.669%0.6980%0.795SS**  trans100.2152.7139.9-146.411.4000122.9
700S30Very low33.9Very low102 Ų102150.4 Ų150.471%0.71380%0.795SS**  trans67.6136.5171.465.80000118.3
701Q33.9Very low34.4Very low157 Ų157149.5 Ų149.573%0.73480%0.795SS**  cis109.2105.813.8-84.6-158.35.600115
702K33.9Very low34.9Very low161 Ų161152 Ų15270%0.780%0.797SS**  159.3132116.8-91.9158.1-174.3169.10116.9
703R36.1Very low35.4Very low214 Ų214153.2 Ų153.281%0.80880%0.798SS**  trans68.2162.8146.8-61.1174.2179.7177.1-2.4116.1
704V29.5Very low36Very low137 Ų137152.8 Ų152.883%0.8380%0.797SS**  cis-136.3168.824.4-177.10000112.9
705F36.6Very low36Very low190 Ų190150.1 Ų150.183%0.83380%0.796SS**  trans-129.2168.7-171.7-81.2-71000111.3
706S37.1Very low36.5Very low97 Ų97146.2 Ų146.268%0.67879%0.791SS**  cis-168.1160.2-8.343.80000110.7
707R36.5Very low36.8Very low241 Ų241149.6 Ų149.691%0.90980%0.798SS**  trans-157.1150157.6-78.9-155.8-178.9-166.90.6111.7
708L37.9Very low36.4Very low143 Ų143147.5 Ų147.575%0.74980%0.798SS**  cis-174.2112.5-36.4-122.7177.3000110.6
709I35.4Very low36.9Very low168 Ų168143.7 Ų143.786%0.86280%0.801SS**  trans-156.3168.1152.315.8177.9000109.2
710P36.2Very low37.2Very low121 Ų121148.1 Ų148.179%0.78681%0.81SS**  trans-105.9178.8-131.341.5-37.4000116.7
711S39.3Very low37.9Very low114 Ų114149.5 Ų149.580%0.79781%0.814SS**PPolyproline II helixtrans-96.6156.6-179.8-54.10000113.1
712P40.7Very low37.9Very low129 Ų129145.2 Ų145.284%0.83881%0.812SS**PPolyproline II helixtrans-78.1154.8177.732.8-36.1000113.4
713E42.4Very low38.6Very low189 Ų189146.2 Ų146.288%0.88382%0.819SS**PPolyproline II helixtrans-79157.6175.9-74.4-173.212200113.6
714P44.1Very low38.6Very low118 Ų118144.8 Ų144.877%0.76682%0.821SS**PPolyproline II helixtrans-81.2150.3178.533.6-35.7000113.4
715S37.5Very low39.1Very low115 Ų115144.3 Ų144.380%0.80482%0.824SS**PPolyproline II helixtrans-67138.8173.8-540000112.5
716P43.5Very low39.3Very low123 Ų123144.7 Ų144.780%0.79983%0.828SS**PPolyproline II helixtrans-80.9142.3172.532.3-34000112.4
717E41.3Very low39Very low205 Ų205143.7 Ų143.796%0.95883%0.833SS**PPolyproline II helixtrans-87121.5164.3-63.8179.9123.500109.4
718G36.2Very low39.2Very low78 Ų78141 Ų14180%0.80484%0.835SS**  trans163.2126.7178.600000112.3
719G40.9Very low38.9Very low86 Ų86138.1 Ų138.189%0.88784%0.841SS**  trans-84.8139.2-173.900000114
720Y32.7Very low39Very low222 Ų222133.7 Ų133.787%0.87184%0.836SS**  trans-135.8144.9163-163.3-98000110.1
721V43.8Very low39.3Very low132 Ų132136.3 Ų136.380%0.884%0.838SS**  trans-99.9124.3-172.6178.50000110.4
722G35.2Very low39.2Very low66 Ų66142.3 Ų142.368%0.6885%0.845SS**  trans-137127.2174.500000111.4
723Q47Very low39.1Very low182 Ų182140.8 Ų140.885%0.8584%0.843SS**  trans-89.1105.4-175-68.9-179.6-17.300112.2
724H36.7Very low38.9Very low185 Ų185139.3 Ų139.386%0.85684%0.841SS**  trans-135.6134.8160.8-67.3-66.3000110.9
725S39.3Very low38.7Very low127 Ų127138.9 Ų138.989%0.88884%0.841SS**  trans-76.9122.8-169.641.40000112.9
726Q41.3Very low38.7Very low198 Ų198144.2 Ų144.293%0.92585%0.845SS**  trans-81.6145.5170.2-65-177.1-2.500111.1
727G31.7Very low38.6Very low76 Ų76146.9 Ų146.978%0.78485%0.852SS**  trans-158.134.8-174.100000114.9
728L39.6Very low38.6Very low183 Ų183147 Ų14796%0.95885%0.849SS**  trans-137.9138177.2-74.4172.6000110.4
729G32.9Very low39Very low84 Ų84154.7 Ų154.787%0.86685%0.854SS**  trans171.913.3178.800000118.2H731G729-H731 PolarHBondContact O-N 3.38Å
730G36.3Very low38.9Very low74 Ų74160.7 Ų160.776%0.76386%0.856SS**  trans-97.752.7-168.900000116.9
731H43.3Very low39.2Very low177 Ų177161.6 Ų161.682%0.81986%0.857SS**  trans-145.677.8179.7-83.2-59.4000115.1G729G729-H731 PolarHBondContact O-N 3.38Å
732Y37.6Very low39.1Very low239 Ų239162.5 Ų162.594%0.93786%0.857SS**  trans-150.675164.7-96.9-72.7000112.4
733A39Very low39.4Very low98 Ų98172.8 Ų172.881%0.8188%0.883SS**SBendtrans-148.9-2.9179.300000117.9
734D37.9Very low39Very low157 Ų157172.4 Ų172.484%0.8489%0.885SS**SBendtrans-117.5-10.4-171.2-97.3-53.9000116.6Y736D734-Y736 VanDerWaalsContact C-N 3.27Å; D734-Y736 PolarHBondContact O-N 3.23Å
735S38.6Very low39.2Very low110 Ų110171.7 Ų171.777%0.76989%0.886SS**THydrogen-bonded Turntrans-77.7-1.8-170.9-50.90000115.6
736Y38.4Very low39.2Very low227 Ų227174.2 Ų174.289%0.8989%0.886SS**THydrogen-bonded Turntrans-103-5-164.1-112-87.4000117.2D734D734-Y736 VanDerWaalsContact C-N 3.27Å; D734-Y736 PolarHBondContact O-N 3.23Å
737L41.1Very low39Very low178 Ų178172.8 Ų172.893%0.93288%0.884SS**SBendtrans-104.94-177.6-83.1170.7000115.7
738K40.7Very low39.5Very low209 Ų209178.8 Ų178.891%0.90989%0.89SS**SBendtrans-117.535.7-172.2-140.9171.5-172.2175.80115.8
739R44.7Very low39.5Very low238 Ų238178.5 Ų178.590%0.89889%0.885SS**  trans-143.169172.4-162.9-174.8-66.3-177.90.8114.1
740K38.4Very low39.9Very low213 Ų213185.3 Ų185.393%0.92689%0.887SS**  trans-163.478.6157.6-118.2172.7-1751790114.2
741R40.3Very low40.2Very low240 Ų240193.8 Ų193.891%0.90690%0.896SS**  trans-159.4155.8151.9-149.8171.6-68.6-178.3-0.3108
742I42.1Very low40Very low152 Ų152195.3 Ų195.378%0.77990%0.903SS**  trans74.678.4-161.6-47166.5000111.4
743F41.2Very low40.2Very low282 Ų282191.3 Ų191.3100%1.23790%0.9SS**  -131.7098.5-85.3-80.3000107.5

Retrieved 743 of 743 residues in 317.5 ms (Link to these results)