A0A087Y2Q0_POEFO Loading...

Fibulin 5

AlphaFold DB , UniProt , Accession A0A087Y2Q0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 485 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
1M28.6Very low26.7Very low239 Ų239174.1 Ų174.1100%1.17788%0.881SS**  0132.60-74.6178.6174.800107.6
2P34Very low27.1Very low120 Ų120168.5 Ų168.578%0.77987%0.87SS**  trans-88.7151.1-150.734.7-34.4000113.3
3L26.6Very low27.5Very low170 Ų170163.9 Ų163.989%0.8986%0.862SS**  trans-115.396162.4-96.8146.9000106.2T5L3-T5 PolarHBondContact O-N 3.38Å
4E27.6Very low27.8Very low188 Ų188163.6 Ų163.688%0.87986%0.86SS**  trans-74119.7169.1-84.2-174.9151.800109.3
5T28.9Very low28Very low137 Ų137168.5 Ų168.584%0.8486%0.862SS**  trans-107124.5165.732.40000108L3L3-T5 PolarHBondContact O-N 3.38Å
6R26.7Very low28.1Very low250 Ų250168.4 Ų168.494%0.94386%0.863SS**  trans-80.5136179.3-84.3176.8164.9-178.5-4.4111.9
7A24.7Very low28Very low89 Ų89165.8 Ų165.874%0.73686%0.861SS**  trans172.5139.1146.100000106.9
8L25.9Very low28Very low156 Ų156167.9 Ų167.982%0.81786%0.863SS**  cis-171.7157.519-107.2156.1000108.4
9R22Very low27.9Very low236 Ų236165.2 Ų165.289%0.89186%0.859SS**  trans132.9144.9139.5-68.2-164-178.5-177.70.2117.2
10F25Very low28.3Very low206 Ų206163.1 Ų163.190%0.90486%0.856SS**  trans-70.9151.6-165.2-90-110000116.8
11C23.8Very low28.5Very low124 Ų124159.6 Ų159.684%0.83885%0.851SS**  179.8159.2115.1-1070000114.1
12S31.2Very low28.6Very low107 Ų107153.8 Ų153.875%0.74883%0.834SS**  trans-61.8177.2-175.259.90000115.3
13S32Very low28.2Very low109 Ų109154.3 Ų154.376%0.76284%0.839SS**  cis-164.6154.522.3-20.80000110.1
14L31.5Very low28.3Very low160 Ų160151.8 Ų151.884%0.83883%0.833SS**  trans-69146.9-175.7-9373.4000115.6
15R31.5Very low29.2Very low236 Ų236148.7 Ų148.789%0.89183%0.829SS**  trans-68143.6153.5-65.6174.7174.4-171.1-3.5110.2
16L29.5Very low29.2Very low167 Ų167151.6 Ų151.687%0.87483%0.833SS**  trans-131.7126.4163-92.6159.2000110.8
17C27.1Very low29.4Very low124 Ų124143 Ų14384%0.83882%0.823SS**  trans-85.8159.7175.9-67.10000111.6
18F27.5Very low29.5Very low204 Ų204148.8 Ų148.890%0.89583%0.831SS**  trans-67.1160.9173.2-97.5-96.3000115.5
19C26.5Very low29.7Very low116 Ų116147.4 Ų147.478%0.78483%0.829SS**  trans131.7161.3140.9-80.30000114.2
20P34.8Very low30.5Very low123 Ų123145.5 Ų145.580%0.79983%0.828SS**  -133.9-169.3-55.437.3-18.3000111.5
21A33.5Very low30.7Very low90 Ų90142.7 Ų142.774%0.74482%0.821SS**  trans-60.6162.8-175.900000117.2
22S30.3Very low31.4Very low117 Ų117146.6 Ų146.682%0.81882%0.824SS**  trans105.8112.4158.768.60000119.5
23C25.3Very low31.5Very low131 Ų131148.9 Ų148.989%0.88582%0.821SS**  trans-159.9150.5144.3-102.20000112.4
24P29.9Very low32Very low118 Ų118149.5 Ų149.577%0.76682%0.822SS**  trans-100.6179.1-159.739.1-28.5000113.9
25P44.6Very low32.3Very low122 Ų122149 Ų14979%0.79281%0.813SS**  trans-96.8133.5-160.335.4-28.5000112.8
26Q29.5Very low32.5Very low198 Ų198143.3 Ų143.393%0.92581%0.809SS**  trans-147.8138.1152.2-73.4-158.80.800110.6
27G30.2Very low33Very low71 Ų71146.5 Ų146.573%0.73281%0.809SS**  trans-74.9153-162.900000115.8
28F28.1Very low33.6Very low209 Ų209147.3 Ų147.392%0.91780%0.802SS**  trans-129.8121.5148.2-97.7-88.8000108.8
29T30.9Very low34.1Very low127 Ų127143.5 Ų143.578%0.77979%0.791SS**  trans-68.8140.7172.739.60000112.1
30K37.3Very low34.8Very low196 Ų196141.2 Ų141.285%0.85278%0.78SS**  trans56.397.6152.4-69.3-178177.5176.80117.5
31L28.8Very low35.1Very low147 Ų147138 Ų13877%0.7776%0.764SS**  trans-143123.6134.1-118.3101.6000108.8F33L31-F33 HydrophobicContact CB-CD2 4.36Å; L31-F33 HydrophobicContact CB-CE2 4.5Å; L31-F33 HydrophobicContact CD2-CD2 4.16Å; L31-F33 HydrophobicContact CD2-CE2 3.53Å; L31-F33 HydrophobicContact CD2-CZ 4.41Å
32K40.2Very low35.3Very low207 Ų207138.6 Ų138.690%0.975%0.754SS**  trans-69.2129.6173.1-76.3178.9172.5-177.10109
33F33.2Very low36Very low154 Ų154137.1 Ų137.168%0.67574%0.74SS**  trans-146117.1172.9-97.4-77.3000111.4L31 F35L31-F33 HydrophobicContact CB-CD2 4.36Å; L31-F33 HydrophobicContact CB-CE2 4.5Å; L31-F33 HydrophobicContact CD2-CD2 4.16Å; L31-F33 HydrophobicContact CD2-CE2 3.53Å; L31-F33 HydrophobicContact CD2-CZ 4.41Å; F33-F35 HydrophobicContact CD1-CB 3.71Å; F33-F35 HydrophobicContact CE1-CB 4.16Å
34P41.9Very low36.6Very low122 Ų122139.2 Ų139.279%0.79274%0.735SS**  trans-102.771.8148.535.5-22.2000107.3
35F37.3Very low37.1Very low149 Ų149138.1 Ų138.165%0.65473%0.726SS**  trans-146.321.9175.4-119.1-82.6000113.1F33F33-F35 HydrophobicContact CD1-CB 3.71Å; F33-F35 HydrophobicContact CE1-CB 4.16Å
36C35.8Very low36.8Very low118 Ų118138.9 Ų138.980%0.79772%0.723SS**SBendtrans-108.97.1175.4-135.60000113.8
37R40.6Very low37.2Very low234 Ų234136.1 Ų136.188%0.88371%0.713SS**SBendtrans-105.3-12.3176-77.2-169.7168.5-172-3.3115.1
38M38.8Very low37.4Very low140 Ų140138 Ų13869%0.6971%0.714SS**SBendtrans-92.4-18.7177.3-99.4-164.2176.900115
39L38.9Very low37.9Very low125 Ų125135.1 Ų135.165%0.65471%0.707SS**Hα-helixtrans-85.9-13-179.9-103.9149.3000114V43L39-V43 WeakPolarHBondContact O-CG2 3.3Å
40A40.6Very low38.1Very low68 Ų68137.8 Ų137.856%0.56271%0.71SS**Hα-helixtrans-82.1-29.7170.800000112.6
41A41.4Very low37.8Very low56 Ų56133.6 Ų133.646%0.46371%0.706SS.*Hα-helixtrans-82-28.5-179.400000113.4T45A41-T45 WeakPolarHBondContact O-CG2 3.34Å; A41-T45 PolarHBondContact O-N 3.28Å; A41-T45 PolarHBondContact O-OG1 2.92Å
42L38.5Very low38.1Very low101 Ų101131.3 Ų131.353%0.52971%0.708SS.*Hα-helixtrans-82.1-20.2177.5-100.6156000113.8L46L42-L46 HydrophobicContact CD2-CD1 4.1Å
43V43Very low38.2Very low87 Ų87130.6 Ų130.653%0.52771%0.707SS.*Hα-helixtrans-85.3-24.3173.1178.20000111.7L39L39-V43 WeakPolarHBondContact O-CG2 3.3Å
44F39.2Very low39.2Very low175 Ų175127 Ų12777%0.76871%0.713SS**Hα-helixtrans-83.6-24175.9-112.5-90.1000114.1
45T40.1Very low39.9Very low94 Ų94129.9 Ų129.958%0.57772%0.716SS**Hα-helixtrans-92-15-177.947.40000114A41A41-T45 WeakPolarHBondContact O-CG2 3.34Å; A41-T45 PolarHBondContact O-N 3.28Å; A41-T45 PolarHBondContact O-OG1 2.92Å
46L38.8Very low41.3Very low139 Ų139128.4 Ų128.473%0.72872%0.722SS**SBendtrans-982.7177.1-91.9151.6000114.8L42L42-L46 HydrophobicContact CD2-CD1 4.1Å
47L38.1Very low43Very low139 Ų139124.2 Ų124.273%0.72869%0.693SS**SBendtrans-109.16.2174.4-87.1163.1000114.7
48C34.3Very low44.4Very low112 Ų112117 Ų11776%0.75768%0.677SS**SBendtrans-116.632.4176.2-86.30000113.8
49I38Very low45.9Very low148 Ų148121.5 Ų121.576%0.75969%0.688SS**SBendtrans-129.264.9163.4-48.1177.3000108.5
50Q34.6Very low47.2Very low183 Ų183116.4 Ų116.486%0.85567%0.665SS**SBendtrans-177.4133.9149.4-101.6164.736.500109.1
51S31Very low49Very low108 Ų108116.1 Ų116.176%0.75565%0.652SS**  trans97.359.2173.4-44.50000116.6H53S51-H53 PolarHBondContact O-N 2.95Å
52A34.8Very low50.8Low98 Ų98119.9 Ų119.981%0.8166%0.659SS**  trans-67.777.514100000108.5
53H43.1Very low52.7Low193 Ų193121.2 Ų121.289%0.89466%0.659SS**SBendtrans-179.6101.2158.2-95.3-52.7000109S51S51-H53 PolarHBondContact O-N 2.95Å
54G54.1Low54.3Low77 Ų77119.4 Ų119.479%0.79465%0.646SS**  trans114.329.115600000118.4
55Q55.9Low55.9Low183 Ų183121.7 Ų121.786%0.85565%0.649SS**PPolyproline II helixtrans-73126.6161.6-79.8-173.3-70.200109.9
56P66.9Low57.5Low119 Ų119124.6 Ų124.677%0.77366%0.661SS**PPolyproline II helixtrans-69.8146.3174.728.4-32.2000110.6
57C72.8Confident59Low29 Ų29123.3 Ų123.320%0.19665%0.654CS.*PPolyproline II helixtrans-63.3151.2177.7-68.60000112F61 Y63 C70C57-F61 HydrophobicContact CB-CB 4.17Å; C57-F61 VanDerWaalsContact CB-O 3.26Å; C57-F61 WeakPolarHBondContact CB-O 3.38Å; C57-Y63 VanDerWaalsContact SG-CA 3.5Å; C57-Y63 VanDerWaalsContact SG-CB 3.54Å; C57-Y63 PolarHBondContact SG-N 3.14Å; C57-Y63 VanDerWaalsContact SG-N 3.41Å; C57-C70 WeakPolarHBondContact CA-SG 2.98Å; C57-C70 HydrophobicContact CB-CB 3.76Å; C57-C70 WeakPolarHBondContact CB-SG 3.32Å; C57-C70 VanDerWaalsContact SG-CA 3.6Å; C57-C70 WeakPolarHBondContact SG-CB 3.07Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 3.47Å
58P68.8Low60.7Low83 Ų83119 Ų11954%0.53964%0.643SS.*PPolyproline II helixtrans-56.7154.8172.5-20.831.9000112.1G60 F61P58-G60 PolarHBondContact O-N 3.01Å; P58-F61 HydrophobicContact CB-CD2 4.22Å; P58-F61 PolarHBondContact O-N 3.12Å
59Y70.8Confident62.8Low234 Ų234119.2 Ų119.292%0.91863%0.633SS**THydrogen-bonded Turntrans-55133.8174.2-78.9-81.7000110.8
60G67.1Low64.8Low18 Ų18114.6 Ų114.619%0.18661%0.613CS.*THydrogen-bonded Turntrans90.5-0.5-172.600000114.7P58 V73P58-G60 PolarHBondContact O-N 3.01Å; G60-V73 PolarHBondContact O-N 3.18Å
61F77.1Confident66.9Low63 Ų63107.8 Ų107.828%0.27659%0.586SS.*EExtended strand (participates in β ladder)trans-131.8142.6-179.2-60.6-99.6000112.3C57 P58 C70 S71 D72 I92 G93C57-F61 HydrophobicContact CB-CB 4.17Å; C57-F61 VanDerWaalsContact CB-O 3.26Å; C57-F61 WeakPolarHBondContact CB-O 3.38Å; P58-F61 HydrophobicContact CB-CD2 4.22Å; P58-F61 PolarHBondContact O-N 3.12Å; F61-C70 HydrophobicContact CB-CB 4.05Å; F61-S71 CarbonylContact C-O 3.49Å; F61-S71 VanDerWaalsContact CA-O 3.25Å; F61-S71 WeakPolarHBondContact CA-O 3.35Å; F61-D72 HydrophobicContact CD1-CB 4.29Å; F61-D72 HydrophobicContact CE1-CB 4.14Å; F61-I92 HydrophobicContact CE1-CG2 3.94Å; F61-I92 HydrophobicContact CZ-CG2 3.65Å; F61-G93 VanDerWaalsContact CE2-CA 3.4Å
62E79.5Confident69.2Low134 Ų134105 Ų10563%0.62656%0.563SS**EExtended strand (participates in β ladder)trans-117.4142177.1-174.9172.5-163.300110.7N64 S71 V73E62-N64 PolarHBondContact O-N 3.06Å; E62-S71 PolarHBondContact N-O 2.85Å; E62-S71 PolarHBondContact O-N 2.89Å; E62-S71 PolarHBondContact O-OG 3.24Å; E62-V73 HydrophobicContact CB-CG2 3.58Å
63Y78.8Confident71.5Confident130 Ų130101.8 Ų101.851%0.5153%0.533SS..EExtended strand (participates in β ladder)trans-73.7111.4-177.2-171.8-100.8000111.4C57 R65 G68C57-Y63 VanDerWaalsContact SG-CA 3.5Å; C57-Y63 VanDerWaalsContact SG-CB 3.54Å; C57-Y63 PolarHBondContact SG-N 3.14Å; C57-Y63 VanDerWaalsContact SG-N 3.41Å; Y63-R65 HydrophobicContact CD1-CG 4.04Å; Y63-R65 HydrophobicContact CE1-CG 4.18Å; Y63-R65 PolarHBondContact O-N 2.81Å; Y63-G68 WeakPolarHBondContact OH-CA 3.34Å; Y63-G68 PolarHBondContact OH-O 3.21Å
64N77Confident73.3Confident48 Ų4896.2 Ų96.226%0.25751%0.51SS..EExtended strand (participates in β ladder)trans-84.6105176.7-167.4-40.6000110.3E62 N66 L67 G68 Q69E62-N64 PolarHBondContact O-N 3.06Å; N64-N66 PolarHBondContact O-N 2.72Å; N64-N66 VanDerWaalsContact O-N 3.15Å; N64-N66 WeakPolarHBondContact OD1-CB 3.14Å; N64-N66 PolarHBondContact OD1-N 3.44Å; N64-L67 HydrophobicContact CB-CB 4.35Å; N64-L67 PolarHBondContact O-N 2.02Å; N64-L67 PolarHBondContact OD1-N 3.2Å; N64-G68 PolarHBondContact O-N 2.03Å; N64-Q69 PolarHBondContact N-O 2.83Å
65R71.9Confident74.7Confident224 Ų22493.1 Ų93.185%0.84548%0.475SS*.THydrogen-bonded Turntrans-61.7-22.5-178.6-67.1-175.3-172.9-171.62.6114.2Y63Y63-R65 HydrophobicContact CD1-CG 4.04Å; Y63-R65 HydrophobicContact CE1-CG 4.18Å; Y63-R65 PolarHBondContact O-N 2.81Å
66N74.6Confident75.9Confident155 Ų15586 Ų8683%0.82945%0.445SS*.THydrogen-bonded Turntrans-82.3-29.7179.8-62.7-26.2000112.2N64N64-N66 PolarHBondContact O-N 2.72Å; N64-N66 VanDerWaalsContact O-N 3.15Å; N64-N66 WeakPolarHBondContact OD1-CB 3.14Å; N64-N66 PolarHBondContact OD1-N 3.44Å
67L70.9Confident76.6Confident111 Ų11184.6 Ų84.658%0.58144%0.438SS*.THydrogen-bonded Turntrans-100.5-9.4-178.6-63.5173.1000113.1N64 Q69N64-L67 HydrophobicContact CB-CB 4.35Å; N64-L67 PolarHBondContact O-N 2.02Å; N64-L67 PolarHBondContact OD1-N 3.2Å; L67-Q69 HydrophobicContact CB-CG 3.88Å; L67-Q69 PolarHBondContact O-N 3.5Å
68G73.8Confident77Confident48 Ų4890 Ų9050%0.49545%0.454SS..THydrogen-bonded Turntrans6717.6-179.700000114Y63 N64Y63-G68 WeakPolarHBondContact OH-CA 3.34Å; Y63-G68 PolarHBondContact OH-O 3.21Å; N64-G68 PolarHBondContact O-N 2.03Å
69Q77.9Confident76.9Confident118 Ų11892.2 Ų92.255%0.55147%0.469SS*.EExtended strand (participates in β ladder)trans-143.7160.9-17566.5-174.81.100111.6N64 L67N64-Q69 PolarHBondContact N-O 2.83Å; L67-Q69 HydrophobicContact CB-CG 3.88Å; L67-Q69 PolarHBondContact O-N 3.5Å
70C78.6Confident76.7Confident50 Ų5089.8 Ų89.834%0.33847%0.466SS..EExtended strand (participates in β ladder)trans-73129174.2-60.90000110.2C57 F61C57-C70 WeakPolarHBondContact CA-SG 2.98Å; C57-C70 HydrophobicContact CB-CB 3.76Å; C57-C70 WeakPolarHBondContact CB-SG 3.32Å; C57-C70 VanDerWaalsContact SG-CA 3.6Å; C57-C70 WeakPolarHBondContact SG-CB 3.07Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 3.47Å; F61-C70 HydrophobicContact CB-CB 4.05Å
71S78.9Confident76.9Confident41 Ų4190.4 Ų90.429%0.28747%0.467SS..EExtended strand (participates in β ladder)trans-113.2147175.855.90000110.7F61 E62F61-S71 CarbonylContact C-O 3.49Å; F61-S71 VanDerWaalsContact CA-O 3.25Å; F61-S71 WeakPolarHBondContact CA-O 3.35Å; E62-S71 PolarHBondContact N-O 2.85Å; E62-S71 PolarHBondContact O-N 2.89Å; E62-S71 PolarHBondContact O-OG 3.24Å
72D81.1Confident76.8Confident50 Ų5088.1 Ų88.127%0.26746%0.458SS..EExtended strand (participates in β ladder)trans-54.3135.8176.4-176.162.5000112.1F61 N90 I92 G93F61-D72 HydrophobicContact CD1-CB 4.29Å; F61-D72 HydrophobicContact CE1-CB 4.14Å; D72-N90 PolarHBondContact OD2-ND2 2.79Å; D72-I92 WeakPolarHBondContact OD1-CA 3.43Å; D72-G93 PolarHBondContact OD1-N 3.22Å
73V82.3Confident76.4Confident30 Ų3089.7 Ų89.718%0.18247%0.465CS..  trans-90.1129.1174.9175.90000108.2G60 E62 E75 W78 N90G60-V73 PolarHBondContact O-N 3.18Å; E62-V73 HydrophobicContact CB-CG2 3.58Å; V73-E75 HydrophobicContact CG1-CG 4.28Å; V73-E75 PolarHBondContact O-N 3.23Å; V73-W78 HydrophobicContact CG1-CZ2 4.03Å; V73-N90 PolarHBondContact O-OD1 2.98Å
74N79.9Confident76Confident75 Ų7587.2 Ų87.240%0.40148%0.479SS..  trans-8589.8175-174.9-10.6000111.1C76 S77 N90N74-C76 PolarHBondContact O-N 3Å; N74-C76 WeakPolarHBondContact OD1-CB 3.06Å; N74-C76 PolarHBondContact OD1-N 2.97Å; N74-S77 WeakPolarHBondContact O-CB 3.08Å; N74-S77 PolarHBondContact O-N 3.11Å; N74-S77 VanDerWaalsContact O-N 3.15Å; N74-S77 PolarHBondContact O-OG 2.83Å; N74-N90 WeakPolarHBondContact CA-OD1 3.34Å; N74-N90 PolarHBondContact OD1-OD1 3.44Å
75E84.8Confident75.6Confident12 Ų1293.2 Ų93.26%0.05651%0.506CS..G310 helixtrans-69.5-17.6-177.4-5990.6175.200113.3V73 S77 W78 N90 G94 Y95V73-E75 HydrophobicContact CG1-CG 4.28Å; V73-E75 PolarHBondContact O-N 3.23Å; E75-S77 PolarHBondContact O-N 3.32Å; E75-S77 VanDerWaalsContact O-N 3.13Å; E75-W78 HydrophobicContact CB-CD2 4.16Å; E75-W78 HydrophobicContact CB-CE3 3.98Å; E75-W78 HydrophobicContact CB-CH2 4.21Å; E75-W78 HydrophobicContact CB-CZ2 4.38Å; E75-W78 HydrophobicContact CB-CZ3 4Å; E75-W78 HydrophobicContact CG-CD2 4.48Å; E75-W78 HydrophobicContact CG-CE3 4.23Å; E75-W78 HydrophobicContact CG-CH2 3.54Å; E75-W78 HydrophobicContact CG-CZ2 3.82Å; E75-W78 HydrophobicContact CG-CZ3 3.76Å; E75-W78 WeakPolarHBondContact O-CB 3.43Å; E75-W78 PolarHBondContact O-N 3.49Å; E75-W78 VanDerWaalsContact O-N 3.09Å; E75-N90 PolarHBondContact N-OD1 2.74Å; E75-N90 PolarHBondContact OE2-OD1 2.85Å; E75-G94 VanDerWaalsContact OE2-C 3.23Å; E75-G94 WeakPolarHBondContact OE2-CA 3.06Å; E75-Y95 HydrophobicContact CB-CD1 3.32Å; E75-Y95 HydrophobicContact CB-CE1 3.88Å; E75-Y95 HydrophobicContact CB-CG 3.97Å; E75-Y95 HydrophobicContact CG-CD1 3.88Å; E75-Y95 HydrophobicContact CG-CE1 4.37Å
76C80.8Confident75.7Confident34 Ų3486.5 Ų86.523%0.2349%0.485CS..G310 helixtrans-67.3-9172.6-63.70000113.6N74 W78 C88 V89 N90N74-C76 PolarHBondContact O-N 3Å; N74-C76 WeakPolarHBondContact OD1-CB 3.06Å; N74-C76 PolarHBondContact OD1-N 2.97Å; C76-W78 VanDerWaalsContact C-N 3.33Å; C76-C88 WeakPolarHBondContact CA-SG 3.29Å; C76-C88 HydrophobicContact CB-CB 3.78Å; C76-C88 WeakPolarHBondContact CB-SG 3.33Å; C76-C88 WeakPolarHBondContact SG-CB 3.47Å; C76-C88 CovalentContact SG-SG 2.04Å; C76-C88 PolarHBondContact SG-SG 3.38Å; C76-V89 VanDerWaalsContact SG-C 3.52Å; C76-V89 PolarHBondContact SG-N 2.04Å; C76-N90 PolarHBondContact SG-N 3.42Å
77S82.1Confident75.9Confident89 Ų8984.3 Ų84.362%0.62247%0.472SS*.G310 helixtrans-85.3-5.6173.9-53.10000113.1N74 E75N74-S77 WeakPolarHBondContact O-CB 3.08Å; N74-S77 PolarHBondContact O-N 3.11Å; N74-S77 VanDerWaalsContact O-N 3.15Å; N74-S77 PolarHBondContact O-OG 2.83Å; E75-S77 PolarHBondContact O-N 3.32Å; E75-S77 VanDerWaalsContact O-N 3.13Å
78W81.3Confident76.4Confident142 Ų14280.4 Ų80.454%0.53845%0.454SS..SBendtrans-78.9153.1177.8-62.6-10.5000111.7V73 E75 C76 Q80 P81V73-W78 HydrophobicContact CG1-CZ2 4.03Å; E75-W78 HydrophobicContact CB-CD2 4.16Å; E75-W78 HydrophobicContact CB-CE3 3.98Å; E75-W78 HydrophobicContact CB-CH2 4.21Å; E75-W78 HydrophobicContact CB-CZ2 4.38Å; E75-W78 HydrophobicContact CB-CZ3 4Å; E75-W78 HydrophobicContact CG-CD2 4.48Å; E75-W78 HydrophobicContact CG-CE3 4.23Å; E75-W78 HydrophobicContact CG-CH2 3.54Å; E75-W78 HydrophobicContact CG-CZ2 3.82Å; E75-W78 HydrophobicContact CG-CZ3 3.76Å; E75-W78 WeakPolarHBondContact O-CB 3.43Å; E75-W78 PolarHBondContact O-N 3.49Å; E75-W78 VanDerWaalsContact O-N 3.09Å; C76-W78 VanDerWaalsContact C-N 3.33Å; W78-Q80 PolarHBondContact O-N 2.77Å; W78-P81 VanDerWaalsContact O-CD 3.31Å; W78-P81 WeakPolarHBondContact O-CD 3.28Å
79P64.9Low76.8Confident130 Ų13080.8 Ų80.884%0.84445%0.447SS*.SBendtrans-68.2118.7176.424.4-29.9000110.7
80Q67.9Low76.7Confident184 Ų18477.6 Ų77.686%0.8643%0.434SS*.SBendtrans57.366.2-176.7-59.6-164.3-40.400114.5W78 C82W78-Q80 PolarHBondContact O-N 2.77Å; Q80-C82 VanDerWaalsContact C-N 3.32Å; Q80-C82 PolarHBondContact O-N 3.02Å
81P71.9Confident76.7Confident31 Ų3182.4 Ų82.420%0.20144%0.444CS..  trans-72.6-27.8179.830.7-29.7000111.8W78 C88 Y95W78-P81 VanDerWaalsContact O-CD 3.31Å; W78-P81 WeakPolarHBondContact O-CD 3.28Å; P81-C88 HydrophobicContact CG-CB 3.92Å; P81-Y95 HydrophobicContact CB-CD2 4.48Å; P81-Y95 HydrophobicContact CB-CE2 4.21Å; P81-Y95 WeakPolarHBondContact O-CE2 3.4Å; P81-Y95 PolarHBondContact O-OH 3.23Å
82C74.4Confident76.4Confident14 Ų1487.5 Ų87.510%0.09547%0.467CS..SBendtrans-121148.3176.7-61.10000110.6Q80 M86 C97Q80-C82 VanDerWaalsContact C-N 3.32Å; Q80-C82 PolarHBondContact O-N 3.02Å; C82-M86 HydrophobicContact CB-CB 3.92Å; C82-C97 VanDerWaalsContact CA-SG 3.57Å; C82-C97 HydrophobicContact CB-CB 3.75Å; C82-C97 WeakPolarHBondContact CB-SG 3.38Å; C82-C97 VanDerWaalsContact SG-CA 3.56Å; C82-C97 WeakPolarHBondContact SG-CB 3.49Å; C82-C97 CovalentContact SG-SG 2.02Å; C82-C97 PolarHBondContact SG-SG 3.03Å
83Q70.8Confident75.9Confident168 Ų16886.7 Ų86.779%0.78547%0.471SS*.SBendtrans-79.1137.4177.3-65.3-173.6-10.700111.3M86Q83-M86 HydrophobicContact CB-CE 4.05Å; Q83-M86 WeakPolarHBondContact O-CE 3.22Å; Q83-M86 WeakPolarHBondContact O-CG 3.44Å
84G69.4Low75.7Confident77 Ų7786.3 Ų86.379%0.79447%0.472SS*.THydrogen-bonded Turntrans71.8-148.4176.300000114.4M86G84-M86 PolarHBondContact O-N 3.44Å
85E69.1Low75.9Confident175 Ų17587.4 Ų87.482%0.81847%0.472SS*.THydrogen-bonded Turntrans-86.224.3-179.5-61.2-168.1163.100113.6
86M73.8Confident75.5Confident82 Ų8290.3 Ų90.340%0.40449%0.485SS..PPolyproline II helixtrans-77.7135.6179.7-66.7-166.7-74.100111.9C82 Q83 G84 C97 L98C82-M86 HydrophobicContact CB-CB 3.92Å; Q83-M86 HydrophobicContact CB-CE 4.05Å; Q83-M86 WeakPolarHBondContact O-CE 3.22Å; Q83-M86 WeakPolarHBondContact O-CG 3.44Å; G84-M86 PolarHBondContact O-N 3.44Å; M86-C97 HydrophobicContact CB-CB 4.19Å; M86-C97 HydrophobicContact CE-CB 4.28Å; M86-C97 HydrophobicContact SD-CB 4.09Å; M86-L98 CarbonylContact C-O 3.54Å; M86-L98 WeakPolarHBondContact CA-O 3.33Å
87L79.2Confident75.4Confident109 Ų10990.8 Ų90.857%0.57149%0.488SS*.EExtended strand (participates in β ladder)trans-80.9126.1177.6-172.574000110.5C97 L98L87-C97 CarbonylContact O-C 3.55Å; L87-C97 WeakPolarHBondContact O-CA 3.3Å; L87-L98 PolarHBondContact N-O 3.4Å; L87-L98 PolarHBondContact O-N 2.97Å
88C81Confident75Confident30 Ų3089.6 Ų89.620%0.20348%0.475CS..EExtended strand (participates in β ladder)trans-85.9130.8175.9-169.30000111.4C76 P81 Y95C76-C88 WeakPolarHBondContact CA-SG 3.29Å; C76-C88 HydrophobicContact CB-CB 3.78Å; C76-C88 WeakPolarHBondContact CB-SG 3.33Å; C76-C88 WeakPolarHBondContact SG-CB 3.47Å; C76-C88 CovalentContact SG-SG 2.04Å; C76-C88 PolarHBondContact SG-SG 3.38Å; P81-C88 HydrophobicContact CG-CB 3.92Å; C88-Y95 VanDerWaalsContact SG-CD2 3.51Å
89V83Confident74.3Confident55 Ų5586.2 Ų86.233%0.33347%0.473SS..EExtended strand (participates in β ladder)trans-121.8120.7174.4-176.80000109.4C76 Y95 Q96 L98C76-V89 VanDerWaalsContact SG-C 3.52Å; C76-V89 PolarHBondContact SG-N 2.04Å; V89-Y95 WeakPolarHBondContact O-CA 3.5Å; V89-Q96 PolarHBondContact N-O 3.43Å; V89-Q96 PolarHBondContact O-N 2.9Å; V89-L98 HydrophobicContact CG2-CD1 3.7Å; V89-L98 HydrophobicContact CG2-CG 4.31Å
90N75.7Confident74.1Confident52 Ų5283.1 Ų83.128%0.27845%0.454SS..EExtended strand (participates in β ladder)trans-73.9133.6177.7-163.758.3000111D72 V73 N74 E75 C76D72-N90 PolarHBondContact OD2-ND2 2.79Å; V73-N90 PolarHBondContact O-OD1 2.98Å; N74-N90 WeakPolarHBondContact CA-OD1 3.34Å; N74-N90 PolarHBondContact OD1-OD1 3.44Å; E75-N90 PolarHBondContact N-OD1 2.74Å; E75-N90 PolarHBondContact OE2-OD1 2.85Å; C76-N90 PolarHBondContact SG-N 3.42Å
91R78.3Confident73.5Confident150 Ų15081.4 Ų81.457%0.56645%0.451SS*.EExtended strand (participates in β ladder)trans-124.8163.3174-68-170.7176.1-126.62.1109.2G93 G94R91-G93 PolarHBondContact O-N 3.27Å; R91-G93 VanDerWaalsContact O-N 3.15Å; R91-G94 CarbonylContact C-O 3.58Å; R91-G94 WeakPolarHBondContact CA-O 3.2Å; R91-G94 WeakPolarHBondContact CB-O 3.05Å; R91-G94 PolarHBondContact N-O 3.47Å; R91-G94 PolarHBondContact O-N 2.89Å
92I73.3Confident72.5Confident149 Ų14989.2 Ų89.276%0.76448%0.478SS*.THydrogen-bonded Turntrans-67.8116.1177.9-63.2172.1000108.7F61 D72F61-I92 HydrophobicContact CE1-CG2 3.94Å; F61-I92 HydrophobicContact CZ-CG2 3.65Å; D72-I92 WeakPolarHBondContact OD1-CA 3.43Å
93G70.9Confident70.7Confident33 Ų3397.4 Ų97.434%0.3451%0.508SS..THydrogen-bonded Turntrans86.812.3-178.100000115.4F61 D72 R91F61-G93 VanDerWaalsContact CE2-CA 3.4Å; D72-G93 PolarHBondContact OD1-N 3.22Å; R91-G93 PolarHBondContact O-N 3.27Å; R91-G93 VanDerWaalsContact O-N 3.15Å
94G78.1Confident69.1Low21 Ų2197.1 Ų97.122%0.21651%0.512CS..EExtended strand (participates in β ladder)trans158.7-173.117500000114.3E75 R91E75-G94 VanDerWaalsContact OE2-C 3.23Å; E75-G94 WeakPolarHBondContact OE2-CA 3.06Å; R91-G94 CarbonylContact C-O 3.58Å; R91-G94 WeakPolarHBondContact CA-O 3.2Å; R91-G94 WeakPolarHBondContact CB-O 3.05Å; R91-G94 PolarHBondContact N-O 3.47Å; R91-G94 PolarHBondContact O-N 2.89Å
95Y83.4Confident67.7Low99 Ų99104.5 Ų104.539%0.38852%0.516SS..EExtended strand (participates in β ladder)trans-123.5160.2-177.668.9-76.9000113E75 P81 C88 V89E75-Y95 HydrophobicContact CB-CD1 3.32Å; E75-Y95 HydrophobicContact CB-CE1 3.88Å; E75-Y95 HydrophobicContact CB-CG 3.97Å; E75-Y95 HydrophobicContact CG-CD1 3.88Å; E75-Y95 HydrophobicContact CG-CE1 4.37Å; P81-Y95 HydrophobicContact CB-CD2 4.48Å; P81-Y95 HydrophobicContact CB-CE2 4.21Å; P81-Y95 WeakPolarHBondContact O-CE2 3.4Å; P81-Y95 PolarHBondContact O-OH 3.23Å; C88-Y95 VanDerWaalsContact SG-CD2 3.51Å; V89-Y95 WeakPolarHBondContact O-CA 3.5Å
96Q77.4Confident66.2Low73 Ų73102 Ų10234%0.34152%0.515SS..EExtended strand (participates in β ladder)trans-125.8137.1176.6-171.9178.78.800110.7V89 L98V89-Q96 PolarHBondContact N-O 3.43Å; V89-Q96 PolarHBondContact O-N 2.9Å; Q96-L98 HydrophobicContact CG-CD2 4.15Å
97C77.8Confident64.1Low43 Ų43109.3 Ų109.329%0.29154%0.539SS..EExtended strand (participates in β ladder)trans-98.8129.1174.2-56.20000110.3C82 M86 L87C82-C97 VanDerWaalsContact CA-SG 3.57Å; C82-C97 HydrophobicContact CB-CB 3.75Å; C82-C97 WeakPolarHBondContact CB-SG 3.38Å; C82-C97 VanDerWaalsContact SG-CA 3.56Å; C82-C97 WeakPolarHBondContact SG-CB 3.49Å; C82-C97 CovalentContact SG-SG 2.02Å; C82-C97 PolarHBondContact SG-SG 3.03Å; M86-C97 HydrophobicContact CB-CB 4.19Å; M86-C97 HydrophobicContact CE-CB 4.28Å; M86-C97 HydrophobicContact SD-CB 4.09Å; L87-C97 CarbonylContact O-C 3.55Å; L87-C97 WeakPolarHBondContact O-CA 3.3Å
98L74.6Confident61.8Low64 Ų64115.6 Ų115.634%0.33556%0.556SS.*EExtended strand (participates in β ladder)trans-117.3143.6-180-59.8177.5000110.4M86 L87 V89 Q96M86-L98 CarbonylContact C-O 3.54Å; M86-L98 WeakPolarHBondContact CA-O 3.33Å; L87-L98 PolarHBondContact N-O 3.4Å; L87-L98 PolarHBondContact O-N 2.97Å; V89-L98 HydrophobicContact CG2-CD1 3.7Å; V89-L98 HydrophobicContact CG2-CG 4.31Å; Q96-L98 HydrophobicContact CG-CD2 4.15Å
99S66.3Low59.5Low71 Ų71126 Ų12650%0.49759%0.591SS.*  trans-69.3139.3174-1730000110.8D101S99-D101 PolarHBondContact O-N 2.87Å
100S59Low57Low66 Ų66129.9 Ų129.946%0.46261%0.614SS.*G310 helixtrans-68.6-14.1-178.671.40000113.7Y102S100-Y102 PolarHBondContact O-N 2.96Å; S100-Y102 VanDerWaalsContact O-N 3.08Å
101D56.9Low54.8Low148 Ų148132.5 Ų132.579%0.79164%0.637SS**G310 helixtrans-70.9-0.3-178.8-65.7-39.8000114.9S99S99-D101 PolarHBondContact O-N 2.87Å
102Y49.6Very low53.2Low194 Ų194131.2 Ų131.276%0.76165%0.647SS**G310 helixtrans-104.52.5-173-161.6-103.2000115.6S100S100-Y102 PolarHBondContact O-N 2.96Å; S100-Y102 VanDerWaalsContact O-N 3.08Å
103Y38Very low51.3Low187 Ų187128.2 Ų128.273%0.73365%0.645SS**  trans-130.214.9-175.6-94.3-77000117.7R105Y103-R105 PolarHBondContact O-N 3.19Å
104D37.1Very low49.5Very low161 Ų161135.4 Ų135.486%0.86167%0.67SS**  trans-95.658.8172-116.7-6000112.7
105R39.2Very low47.3Very low232 Ų232139.7 Ų139.788%0.87569%0.694SS**  trans-142.6106.1157.7-76.6-163.6176.1-165.80.2111.2Y103Y103-R105 PolarHBondContact O-N 3.19Å
106P38.1Very low44.8Very low123 Ų123143.9 Ų143.980%0.79972%0.717SS**PPolyproline II helixtrans-77.4136175.128.8-30000111.5R108P106-R108 PolarHBondContact O-N 3.43Å
107Y29.5Very low42.7Very low235 Ų235145.7 Ų145.792%0.92274%0.735SS**PPolyproline II helixtrans-52.6121.5168.6-83.8-96.8000111.6
108R31.6Very low40.7Very low241 Ų241149.1 Ų149.191%0.90976%0.759SS**PPolyproline II helixtrans-100.6127.7171.6-144.3179.4-161.3-170.75109.9P106P106-R108 PolarHBondContact O-N 3.43Å
109R31.6Very low39Very low250 Ų250156.4 Ų156.494%0.94378%0.784SS**PPolyproline II helixtrans-56.5144.4175.2-66.8-179.3-163.8-156.91.8112
110V31.1Very low37.6Very low135 Ų135158.4 Ų158.482%0.81880%0.795SS**PPolyproline II helixtrans-97.1129.1171.2177.70000110.4
111S28.8Very low36.6Very low108 Ų108160.5 Ų160.576%0.75580%0.801SS**  trans161.8157.7137.2-71.10000110.6
112P45.1Very low36Very low122 Ų122159.9 Ų159.979%0.79281%0.806SS**  -127.6170.5-59.134.5-17.3000112.6
113A33Very low35.8Very low87 Ų87154.4 Ų154.472%0.71980%0.796SS**  trans72.193.8159.600000119.8
114Q32.5Very low35.7Very low183 Ų183152.3 Ų152.386%0.85580%0.797SS**  trans-160.2152.1137.9-86-52.1-95.800108.7
115P32.6Very low36Very low112 Ų112155.8 Ų155.873%0.72780%0.798SS**  trans-73.4152.5-155.328.5-34000114.6
116E31.8Very low35.9Very low187 Ų187152.1 Ų152.187%0.87479%0.794SS**  trans-54133.2179.7-65.4180148.400112.8
117P32.5Very low35.9Very low110 Ų110150.4 Ų150.471%0.71478%0.783SS**  trans-80.3114.8154.128.8-22.3000108.3Y119P117-Y119 PolarHBondContact O-N 2.76Å
118S36Very low36.3Very low115 Ų115146.5 Ų146.580%0.80478%0.778SS**PPolyproline II helixtrans-50.5117.1167.9510000110.9
119Y38.8Very low36.7Very low218 Ų218140.2 Ų140.286%0.85577%0.767SS**PPolyproline II helixtrans-80.5134.9161.9-90.1-92.1000109P117P117-Y119 PolarHBondContact O-N 2.76Å
120P35.8Very low36.9Very low113 Ų113137.4 Ų137.473%0.73476%0.762SS**PPolyproline II helixtrans-72.8147.5173.529.2-31000111.6
121D39.6Very low36.9Very low109 Ų109135 Ų13558%0.58376%0.756SS**PPolyproline II helixtrans-51.7136.4176.2179.513000114S123D121-S123 VanDerWaalsContact CG-OG 3.25Å; D121-S123 PolarHBondContact O-N 2.79Å; D121-S123 PolarHBondContact OD1-N 2.9Å; D121-S123 PolarHBondContact OD2-OG 2.72Å
122P42.7Very low37.4Very low136 Ų136141 Ų14188%0.88376%0.762SS**THydrogen-bonded Turntrans-80.444.2173.935.1-35.2000112.9
123S47.1Very low37.1Very low79 Ų79141 Ų14155%0.55276%0.76SS**THydrogen-bonded Turntrans-116.76.9171.277.50000114.3D121 R125D121-S123 VanDerWaalsContact CG-OG 3.25Å; D121-S123 PolarHBondContact O-N 2.79Å; D121-S123 PolarHBondContact OD1-N 2.9Å; D121-S123 PolarHBondContact OD2-OG 2.72Å; S123-R125 PolarHBondContact O-N 2.86Å
124D34.7Very low37.6Very low142 Ų142142.2 Ų142.276%0.75976%0.76SS**  trans-86.193.1169.7-80.8-31.9000111.3I126D124-I126 PolarHBondContact O-N 2.83Å; D124-I126 VanDerWaalsContact O-N 3.16Å
125R43.6Very low37.9Very low235 Ų235139.2 Ų139.289%0.88776%0.756SS**  trans-52.3115.7156.2-71.3179.2-175.6-170.8-0.2108.6S123 P127S123-R125 PolarHBondContact O-N 2.86Å; R125-P127 VanDerWaalsContact O-CD 3.31Å; R125-P127 WeakPolarHBondContact O-CD 3.32Å
126I36.3Very low37.9Very low155 Ų155144.7 Ų144.780%0.79576%0.763SS**  trans-69.4118.1154.6-58.2178.1000105.6D124 D128D124-I126 PolarHBondContact O-N 2.83Å; D124-I126 VanDerWaalsContact O-N 3.16Å; I126-D128 PolarHBondContact O-N 2.83Å
127P38.7Very low38.1Very low86 Ų86140.1 Ų140.156%0.55876%0.757SS**  trans-68128.9165-016.5000106.5R125 T129R125-P127 VanDerWaalsContact O-CD 3.31Å; R125-P127 WeakPolarHBondContact O-CD 3.32Å; P127-T129 HydrophobicContact CB-CG2 4.15Å; P127-T129 PolarHBondContact O-N 3.45Å
128D37.4Very low38.4Very low154 Ų154140.2 Ų140.282%0.82476%0.755SS**  trans-66.665.3155.5-93.1-30.6000108.8I126 F130I126-D128 PolarHBondContact O-N 2.83Å; D128-F130 VanDerWaalsContact C-N 3.34Å; D128-F130 PolarHBondContact O-N 2.83Å
129T39.9Very low38.4Very low109 Ų109142.7 Ų142.767%0.66975%0.754SS**  trans-88.287.2154.446.30000105.6P127 A131P127-T129 HydrophobicContact CB-CG2 4.15Å; P127-T129 PolarHBondContact O-N 3.45Å; T129-A131 PolarHBondContact O-N 2.8Å
130F36.2Very low38.3Very low191 Ų191136.2 Ų136.284%0.83874%0.739SS**  trans-55.391.2147-98.9-94.5000106.2D128 R132D128-F130 VanDerWaalsContact C-N 3.34Å; D128-F130 PolarHBondContact O-N 2.83Å; F130-R132 VanDerWaalsContact C-N 3.3Å; F130-R132 PolarHBondContact O-N 2.81Å
131A32.2Very low38.6Very low84 Ų84136.1 Ų136.169%0.69474%0.741SS**  trans-58.2104.516400000105.2T129 T133T129-A131 PolarHBondContact O-N 2.8Å; A131-T133 VanDerWaalsContact C-N 3.32Å; A131-T133 PolarHBondContact O-N 2.64Å
132R38.9Very low39.2Very low235 Ų235139.6 Ų139.689%0.88775%0.747SS**  trans-49.2107161.6-70.8-179.7-180-151.7-0.9105.2F130F130-R132 VanDerWaalsContact C-N 3.3Å; F130-R132 PolarHBondContact O-N 2.81Å
133T38.3Very low39.2Very low121 Ų121138 Ų13874%0.74274%0.736SS**  trans-45.7127.7156.329.30000105.8A131 P135A131-T133 VanDerWaalsContact C-N 3.32Å; A131-T133 PolarHBondContact O-N 2.64Å; T133-P135 VanDerWaalsContact O-N 3.11Å
134P43.5Very low39Very low112 Ų112141.9 Ų141.973%0.72775%0.75SS**  trans-55.7129.2172.922.7-29.1000105.4R136P134-R136 PolarHBondContact O-N 2.84Å
135P38.6Very low39.4Very low120 Ų120140 Ų14078%0.77974%0.743SS**  trans-54120.8172.822.2-29.7000105.2T133 A137T133-P135 VanDerWaalsContact O-N 3.11Å; P135-A137 PolarHBondContact O-N 2.91Å
136R33.2Very low39.5Very low227 Ų227136.4 Ų136.486%0.85774%0.741SS**  trans-45.6113.8164.5-175.8179.5-174.4-165.51.3104.5P134 V138P134-R136 PolarHBondContact O-N 2.84Å; R136-V138 PolarHBondContact O-N 2.92Å
137A35.7Very low40.2Very low92 Ų92134.8 Ų134.876%0.7673%0.734SS**  trans-62.786.1173.700000106.3P135 E139P135-A137 PolarHBondContact O-N 2.91Å; A137-E139 PolarHBondContact O-N 3.24Å
138V39.2Very low40.7Very low111 Ų111136.2 Ų136.267%0.67374%0.744SS**  trans-7298.2155.1178.70000101.9R136 P140R136-V138 PolarHBondContact O-N 2.92Å; V138-P140 WeakPolarHBondContact O-CD 3.35Å; V138-P140 VanDerWaalsContact O-N 3.09Å
139E35.8Very low41.6Very low168 Ų168132 Ų13279%0.78573%0.731SS**  trans-51.6116.5163-71.4-170.9160.500106.9A137 S141A137-E139 PolarHBondContact O-N 3.24Å; E139-S141 PolarHBondContact O-N 3.13Å; E139-S141 VanDerWaalsContact O-N 3.13Å
140P37.7Very low42.8Very low81 Ų81135 Ų13553%0.52674%0.742SS.*  trans-76.5101.616221.7-8.5000105.2V138 Y142V138-P140 WeakPolarHBondContact O-CD 3.35Å; V138-P140 VanDerWaalsContact O-N 3.09Å; P140-Y142 HydrophobicContact CB-CD2 4.02Å; P140-Y142 HydrophobicContact CB-CE1 4.35Å; P140-Y142 HydrophobicContact CB-CE2 3.46Å; P140-Y142 VanDerWaalsContact CB-CE2 3.46Å; P140-Y142 HydrophobicContact CG-CD2 4.29Å; P140-Y142 HydrophobicContact CG-CE2 3.58Å; P140-Y142 WeakPolarHBondContact O-CD2 3.07Å; P140-Y142 PolarHBondContact O-N 3.48Å
141S41.3Very low44.2Very low112 Ų112127.5 Ų127.578%0.78371%0.712SS**  trans-65.686.1165.857.90000108.2E139E139-S141 PolarHBondContact O-N 3.13Å; E139-S141 VanDerWaalsContact O-N 3.13Å
142Y53.2Low46.3Very low182 Ų182128.2 Ų128.271%0.71471%0.708SS**  trans-76.9128.8162.6-58.4-71.8000107.7P140 I144P140-Y142 HydrophobicContact CB-CD2 4.02Å; P140-Y142 HydrophobicContact CB-CE1 4.35Å; P140-Y142 HydrophobicContact CB-CE2 3.46Å; P140-Y142 VanDerWaalsContact CB-CE2 3.46Å; P140-Y142 HydrophobicContact CG-CD2 4.29Å; P140-Y142 HydrophobicContact CG-CE2 3.58Å; P140-Y142 WeakPolarHBondContact O-CD2 3.07Å; P140-Y142 PolarHBondContact O-N 3.48Å; Y142-I144 PolarHBondContact O-N 2.81Å
143P40.9Very low48.1Very low101 Ų101125.5 Ų125.566%0.65671%0.71SS**  trans-62134.5171.625.2-29.7000108.5V145P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 HydrophobicContact CB-CG2 4.34Å; P143-V145 HydrophobicContact CG-CG2 4.11Å; P143-V145 PolarHBondContact O-N 2.94Å
144I44.7Very low49.8Very low162 Ų162120.3 Ų120.383%0.83168%0.681SS**  trans-63.399.3166.8-58.3172.8000106.3Y142Y142-I144 PolarHBondContact O-N 2.81Å
145V43.3Very low51.7Low102 Ų102117.9 Ų117.962%0.61866%0.657SS**  trans-93.4108173.9-175.90000107.5P143 N147P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 HydrophobicContact CB-CG2 4.34Å; P143-V145 HydrophobicContact CG-CG2 4.11Å; P143-V145 PolarHBondContact O-N 2.94Å; V145-N147 HydrophobicContact CG1-CB 4.24Å; V145-N147 PolarHBondContact O-N 2.79Å
146N45.3Very low53.7Low160 Ų160114.4 Ų114.486%0.85664%0.639SS**  trans-68.777.7164.6-82.7-25.8000109.4
147N50.5Low56Low120 Ų120108.7 Ų108.764%0.64263%0.625SS**SBendtrans-165.6132.1162.2-144.111.5000110.8V145 A149V145-N147 HydrophobicContact CG1-CB 4.24Å; V145-N147 PolarHBondContact O-N 2.79Å; N147-A149 PolarHBondContact O-N 2.84Å
148P48.2Very low57.9Low117 Ų117105.5 Ų105.576%0.7660%0.598SS**SBendtrans-80.937.5-168.633.6-34.1000114.7
149A57.8Low59.6Low66 Ų66106 Ų10655%0.54561%0.614SS.*  trans-148.3115171.400000108.4N147N147-A149 PolarHBondContact O-N 2.84Å
150L64.9Low61.5Low172 Ų172103.6 Ų103.690%0.90161%0.607SS**  trans147.559.6154.4-77.5152.3000111.3
151C66.1Low63.2Low33 Ų33102.4 Ų102.422%0.22361%0.609CS.*PPolyproline II helixtrans-70.4139.1146.2-67.30000107.2Y155 C163C151-Y155 VanDerWaalsContact CB-O 3.27Å; C151-Y155 WeakPolarHBondContact CB-O 3.35Å; C151-C163 WeakPolarHBondContact CA-SG 3.25Å; C151-C163 HydrophobicContact CB-CB 3.9Å; C151-C163 WeakPolarHBondContact CB-SG 3.28Å; C151-C163 WeakPolarHBondContact SG-CB 3.26Å; C151-C163 CovalentContact SG-SG 2.05Å; C151-C163 PolarHBondContact SG-SG 2.83Å
152T75.4Confident65Low99 Ų99100 Ų10061%0.60759%0.59SS**PPolyproline II helixtrans-59.5150173.536.60000110.1G154 Y155T152-G154 PolarHBondContact O-N 2.87Å; T152-Y155 WeakPolarHBondContact O-CB 3.46Å; T152-Y155 PolarHBondContact O-N 2.89Å; T152-Y155 WeakPolarHBondContact OG1-CD2 3.5Å
153L76.9Confident66.4Low178 Ų17894.1 Ų94.193%0.93257%0.574SS**THydrogen-bonded Turntrans-51.3131.1178.6-169.171.1000109.8
154G73.8Confident68.5Low12 Ų1293.5 Ų93.512%0.12457%0.566CS.*THydrogen-bonded Turntrans95.5-1.4-172.200000115.2T152 I166T152-G154 PolarHBondContact O-N 2.87Å; G154-I166 WeakPolarHBondContact O-CB 3.17Å; G154-I166 PolarHBondContact O-N 3.29Å
155Y83.1Confident70.5Confident60 Ų6088.4 Ų88.424%0.23554%0.54CS..EExtended strand (participates in β ladder)trans-125.4140.9178.1-64-102.1000112.3C151 T152 N164 D165 A186 G187C151-Y155 VanDerWaalsContact CB-O 3.27Å; C151-Y155 WeakPolarHBondContact CB-O 3.35Å; T152-Y155 WeakPolarHBondContact O-CB 3.46Å; T152-Y155 PolarHBondContact O-N 2.89Å; T152-Y155 WeakPolarHBondContact OG1-CD2 3.5Å; Y155-N164 CarbonylContact C-O 3.59Å; Y155-N164 VanDerWaalsContact CA-O 3.24Å; Y155-N164 WeakPolarHBondContact CA-O 3.45Å; Y155-D165 HydrophobicContact CD1-CB 4.28Å; Y155-D165 HydrophobicContact CE1-CB 4.11Å; Y155-A186 PolarHBondContact OH-O 3.39Å; Y155-G187 PolarHBondContact OH-N 3.45Å; Y155-G187 VanDerWaalsContact OH-N 3.14Å
156A81.9Confident72.6Confident48 Ų4886.1 Ų86.140%0.39752%0.524SS..EExtended strand (participates in β ladder)trans-108.9141.6176.800000111.8A158 N164 I166A156-A158 PolarHBondContact O-N 2.82Å; A156-N164 PolarHBondContact N-O 3.47Å; A156-N164 PolarHBondContact O-N 3.01Å; A156-I166 HydrophobicContact CB-CD1 4.01Å; A156-I166 HydrophobicContact CB-CG1 3.67Å
157L79.7Confident74.6Confident107 Ų10780.6 Ų80.656%0.5650%0.495SS*.EExtended strand (participates in β ladder)trans-75.7116.2179.6-169.772.4000110.5
158A76.3Confident76.6Confident24 Ų2475.8 Ų75.820%0.19847%0.468CS..  trans-78.4161.7174.400000111.8A156 D160 G161 T162 N164A156-A158 PolarHBondContact O-N 2.82Å; A158-D160 WeakPolarHBondContact CB-OD1 3.43Å; A158-D160 PolarHBondContact O-N 2.9Å; A158-D160 VanDerWaalsContact O-N 3.11Å; A158-G161 PolarHBondContact O-N 3.3Å; A158-T162 WeakPolarHBondContact CB-O 3.42Å; A158-T162 PolarHBondContact N-O 2.04Å; A158-N164 WeakPolarHBondContact CB-ND2 3.31Å
159A74.8Confident78.6Confident122 Ų12271.8 Ų71.8100%1.00844%0.443SS*.THydrogen-bonded Turntrans-63.9-17.2-174.900000114.4
160D77Confident80Confident118 Ų11876.6 Ų76.663%0.63145%0.454SS*.THydrogen-bonded Turntrans-91.42.9175.663.7-1.8000113.4A158 T162A158-D160 WeakPolarHBondContact CB-OD1 3.43Å; A158-D160 PolarHBondContact O-N 2.9Å; A158-D160 VanDerWaalsContact O-N 3.11Å; D160-T162 WeakPolarHBondContact OD1-CB 3.32Å; D160-T162 PolarHBondContact OD1-N 3.03Å; D160-T162 PolarHBondContact OD1-OG1 3.32Å; D160-T162 PolarHBondContact OD2-OG1 3.4Å
161G72.3Confident81Confident55 Ų5572.3 Ų72.357%0.56744%0.435SS*.SBendtrans84.25.4-17900000114.6A158A158-G161 PolarHBondContact O-N 3.3Å
162T80Confident81.8Confident62 Ų6276.8 Ų76.838%0.3846%0.457SS..  trans-84.6150173.864.60000111.5A158 D160A158-T162 WeakPolarHBondContact CB-O 3.42Å; A158-T162 PolarHBondContact N-O 2.04Å; D160-T162 WeakPolarHBondContact OD1-CB 3.32Å; D160-T162 PolarHBondContact OD1-N 3.03Å; D160-T162 PolarHBondContact OD1-OG1 3.32Å; D160-T162 PolarHBondContact OD2-OG1 3.4Å
163C82.3Confident82.3Confident58 Ų5875 Ų7539%0.39245%0.448SS..EExtended strand (participates in β ladder)trans-95108.5173.8-69.10000108.9C151C151-C163 WeakPolarHBondContact CA-SG 3.25Å; C151-C163 HydrophobicContact CB-CB 3.9Å; C151-C163 WeakPolarHBondContact CB-SG 3.28Å; C151-C163 WeakPolarHBondContact SG-CB 3.26Å; C151-C163 CovalentContact SG-SG 2.05Å; C151-C163 PolarHBondContact SG-SG 2.83Å
164N85.3Confident82.6Confident89 Ų8968.7 Ų68.748%0.47641%0.414SS..EExtended strand (participates in β ladder)trans-91.9144.1176.4-70.4-16.5000110Y155 A156 A158 I166Y155-N164 CarbonylContact C-O 3.59Å; Y155-N164 VanDerWaalsContact CA-O 3.24Å; Y155-N164 WeakPolarHBondContact CA-O 3.45Å; A156-N164 PolarHBondContact N-O 3.47Å; A156-N164 PolarHBondContact O-N 3.01Å; A158-N164 WeakPolarHBondContact CB-ND2 3.31Å; N164-I166 PolarHBondContact O-N 3.38Å
165D86.5Confident83.3Confident54 Ų5476.1 Ų76.129%0.28945%0.445SS..EExtended strand (participates in β ladder)trans-57.8134.6173.9-172.959.1000110.6Y155 N184 G187Y155-D165 HydrophobicContact CD1-CB 4.28Å; Y155-D165 HydrophobicContact CE1-CB 4.11Å; D165-N184 PolarHBondContact OD2-ND2 2.78Å; D165-N184 PolarHBondContact OD2-OD1 3.33Å; D165-G187 PolarHBondContact OD1-N 3.1Å
166I87.6Confident83.4Confident55 Ų5574 Ų7428%0.28244%0.439SS..  trans-84.3114.9173.5-63172000106.6G154 A156 N164 E168G154-I166 WeakPolarHBondContact O-CB 3.17Å; G154-I166 PolarHBondContact O-N 3.29Å; A156-I166 HydrophobicContact CB-CD1 4.01Å; A156-I166 HydrophobicContact CB-CG1 3.67Å; N164-I166 PolarHBondContact O-N 3.38Å; I166-E168 HydrophobicContact CG2-CG 4.31Å; I166-E168 PolarHBondContact O-N 3.48Å; I166-E168 VanDerWaalsContact O-OE2 3.11Å
167D87.5Confident83.5Confident44 Ų4473.5 Ų73.524%0.23543%0.429CS..  trans-74.195.6171.5-163.3-45.4000109.8C169 E170 T171 N184D167-C169 PolarHBondContact O-N 3.5Å; D167-C169 WeakPolarHBondContact OD1-CA 3.32Å; D167-C169 WeakPolarHBondContact OD1-CB 3.37Å; D167-C169 PolarHBondContact OD1-N 3.38Å; D167-E170 HydrophobicContact CB-CB 4.08Å; D167-E170 HydrophobicContact CB-CG 4.2Å; D167-E170 PolarHBondContact O-N 2.81Å; D167-E170 PolarHBondContact OD1-N 2.93Å; D167-T171 WeakPolarHBondContact O-CB 3.49Å; D167-T171 WeakPolarHBondContact O-CG2 3.5Å; D167-T171 PolarHBondContact O-N 3.03Å; D167-T171 PolarHBondContact O-OG1 3.25Å; D167-N184 PolarHBondContact OD2-ND2 3.35Å
168E91Very high83.5Confident19 Ų1974.9 Ų74.99%0.08944%0.444CS..THydrogen-bonded Turntrans-66.5-20.8178.8-62.194.5172.600112.7I166 T171 N172 S173 H174 N184 G188 Y189I166-E168 HydrophobicContact CG2-CG 4.31Å; I166-E168 PolarHBondContact O-N 3.48Å; I166-E168 VanDerWaalsContact O-OE2 3.11Å; E168-T171 VanDerWaalsContact CA-OG1 3.32Å; E168-T171 WeakPolarHBondContact CA-OG1 3.49Å; E168-N172 PolarHBondContact O-N 2.87Å; E168-N172 VanDerWaalsContact O-N 3.14Å; E168-S173 PolarHBondContact O-N 2.98Å; E168-H174 HydrophobicContact CB-CB 4.44Å; E168-H174 PolarHBondContact O-CD2 3.42Å; E168-N184 PolarHBondContact OE2-OD1 3.44Å; E168-G188 WeakPolarHBondContact OE1-CA 3.07Å; E168-G188 WeakPolarHBondContact OE2-CA 3.45Å; E168-Y189 HydrophobicContact CB-CD1 3.56Å; E168-Y189 HydrophobicContact CB-CE1 4.28Å; E168-Y189 HydrophobicContact CB-CG 4.14Å; E168-Y189 HydrophobicContact CG-CD1 3.8Å; E168-Y189 HydrophobicContact CG-CE1 4.39Å; E168-Y189 PolarHBondContact OE2-N 3.2Å
169C89.9Confident83.6Confident33 Ų3376.9 Ų76.922%0.22345%0.454CS..THydrogen-bonded Turntrans-75.8-41.9176.8-51.80000111.9D167 C182 I183 N184D167-C169 PolarHBondContact O-N 3.5Å; D167-C169 WeakPolarHBondContact OD1-CA 3.32Å; D167-C169 WeakPolarHBondContact OD1-CB 3.37Å; D167-C169 PolarHBondContact OD1-N 3.38Å; C169-C182 WeakPolarHBondContact CA-SG 3.48Å; C169-C182 HydrophobicContact CB-CB 3.76Å; C169-C182 WeakPolarHBondContact CB-SG 3.41Å; C169-C182 WeakPolarHBondContact SG-CB 3.48Å; C169-C182 PolarHBondContact SG-O 3.06Å; C169-C182 CovalentContact SG-SG 2.04Å; C169-C182 PolarHBondContact SG-SG 3.06Å; C169-I183 VanDerWaalsContact SG-C 3.59Å; C169-N184 PolarHBondContact SG-N 2.78Å
170E88.5Confident84.2Confident167 Ų16772.5 Ų72.578%0.7841%0.413SS*.THydrogen-bonded Turntrans-72.9-37174-71-166.3162.500112.4D167 N172D167-E170 HydrophobicContact CB-CB 4.08Å; D167-E170 HydrophobicContact CB-CG 4.2Å; D167-E170 PolarHBondContact O-N 2.81Å; D167-E170 PolarHBondContact OD1-N 2.93Å; E170-N172 PolarHBondContact O-N 2.81Å
171T86.4Confident84.8Confident82 Ų8270 Ų7050%0.50340%0.402SS..THydrogen-bonded Turntrans-80.5-2.8179.559.90000113.4D167 E168 S173D167-T171 WeakPolarHBondContact O-CB 3.49Å; D167-T171 WeakPolarHBondContact O-CG2 3.5Å; D167-T171 PolarHBondContact O-N 3.03Å; D167-T171 PolarHBondContact O-OG1 3.25Å; E168-T171 VanDerWaalsContact CA-OG1 3.32Å; E168-T171 WeakPolarHBondContact CA-OG1 3.49Å; T171-S173 PolarHBondContact O-N 2.9Å; T171-S173 PolarHBondContact OG1-OG 2.92Å
172N82.9Confident85.6Confident127 Ų12768.6 Ų68.668%0.67938%0.383SS*.THydrogen-bonded Turntrans5334.3-179-156.245.3000113E168 E170 H174E168-N172 PolarHBondContact O-N 2.87Å; E168-N172 VanDerWaalsContact O-N 3.14Å; E170-N172 PolarHBondContact O-N 2.81Å; N172-H174 PolarHBondContact OD1-NE2 2.9Å
173S84.6Confident86.1Confident61 Ų6169.3 Ų69.343%0.42738%0.384SS..  trans-101.88-178.361.30000112.9E168 T171E168-S173 PolarHBondContact O-N 2.98Å; T171-S173 PolarHBondContact O-N 2.9Å; T171-S173 PolarHBondContact OG1-OG 2.92Å
174H84.2Confident86.5Confident45 Ų4568.8 Ų68.821%0.20838%0.377CS..  trans-81.5156.3176.165.180000113.6E168 N172 C176 C182 Y189E168-H174 HydrophobicContact CB-CB 4.44Å; E168-H174 PolarHBondContact O-CD2 3.42Å; N172-H174 PolarHBondContact OD1-NE2 2.9Å; H174-C176 PolarHBondContact ND1-N 2.91Å; H174-C182 VanDerWaalsContact CD2-SG 3.54Å; H174-C182 VanDerWaalsContact CG-SG 3.57Å; H174-Y189 HydrophobicContact CB-CD1 4.12Å; H174-Y189 HydrophobicContact CB-CD2 3.63Å; H174-Y189 HydrophobicContact CB-CE1 4.07Å; H174-Y189 HydrophobicContact CB-CE2 3.58Å; H174-Y189 HydrophobicContact CB-CG 3.91Å
175H86.9Confident86.7Confident169 Ų16967.6 Ų67.678%0.78237%0.373SS*.  trans-107.525177.5-62.5175.9000113.3Y189H175-Y189 WeakPolarHBondContact CB-OH 3.44Å; H175-Y189 PolarHBondContact N-OH 2.96Å
176C85.2Confident86.7Confident16 Ų1669.1 Ų69.111%0.10839%0.393CS..  trans-61.4144.9172.8-54.30000112.1H174 Q180 C191H174-C176 PolarHBondContact ND1-N 2.91Å; C176-Q180 HydrophobicContact CB-CB 4.26Å; C176-C191 WeakPolarHBondContact CA-SG 3.29Å; C176-C191 HydrophobicContact CB-CB 3.71Å; C176-C191 WeakPolarHBondContact CB-SG 3.48Å; C176-C191 WeakPolarHBondContact SG-CB 3.46Å; C176-C191 CovalentContact SG-SG 2.03Å; C176-C191 PolarHBondContact SG-SG 2.77Å
177N84.1Confident86.5Confident37 Ų3767.9 Ų67.920%0.19839%0.394CS..  trans-62.9144171.4-179.3-32.5000109.4T179 Q180 G202 Q203N177-T179 PolarHBondContact O-N 2.89Å; N177-T179 PolarHBondContact OD1-N 3.1Å; N177-T179 VanDerWaalsContact OD1-N 3.09Å; N177-T179 PolarHBondContact OD1-OG1 3.44Å; N177-Q180 HydrophobicContact CB-CG 4.09Å; N177-Q180 WeakPolarHBondContact O-CB 3.31Å; N177-Q180 PolarHBondContact O-N 2.95Å; N177-G202 PolarHBondContact ND2-O 3.4Å; N177-Q203 VanDerWaalsContact ND2-CD 3.28Å; N177-Q203 PolarHBondContact ND2-NE2 2.82Å; N177-Q203 PolarHBondContact ND2-OE1 2.97Å
178P80.8Confident86.6Confident135 Ų13566.5 Ų66.588%0.87739%0.391SS*.THydrogen-bonded Turntrans-48.9-23.6173.9-30.833.9000116.4
179T78.3Confident86.5Confident66 Ų6669.3 Ų69.341%0.40540%0.401SS..THydrogen-bonded Turntrans-86.9-0.3176.768.50000114.1N177 C204N177-T179 PolarHBondContact O-N 2.89Å; N177-T179 PolarHBondContact OD1-N 3.1Å; N177-T179 VanDerWaalsContact OD1-N 3.09Å; N177-T179 PolarHBondContact OD1-OG1 3.44Å; T179-C204 PolarHBondContact O-SG 3.36Å
180Q87.4Confident86.5Confident30 Ų3071.1 Ų71.114%0.1441%0.411CS..SBendtrans-110.4152.1-178-67.2165.3-7.700110.6C176 N177 C191 S192 G202 C204C176-Q180 HydrophobicContact CB-CB 4.26Å; N177-Q180 HydrophobicContact CB-CG 4.09Å; N177-Q180 WeakPolarHBondContact O-CB 3.31Å; N177-Q180 PolarHBondContact O-N 2.95Å; Q180-C191 HydrophobicContact CB-CB 4.3Å; Q180-S192 WeakPolarHBondContact CA-O 3.13Å; Q180-G202 PolarHBondContact NE2-O 3.47Å; Q180-C204 VanDerWaalsContact CG-SG 3.59Å
181V89Confident86.5Confident67 Ų6764.7 Ų64.741%0.40638%0.384SS..EExtended strand (participates in β ladder)trans-94.5129.8172.3-177.30000108.7S192 T194V181-S192 PolarHBondContact N-O 2.87Å; V181-S192 PolarHBondContact O-N 2.82Å; V181-T194 HydrophobicContact CG2-CG2 3.62Å
182C90.2Very high86.6Confident24 Ų2462.7 Ų62.716%0.16237%0.374CS..EExtended strand (participates in β ladder)trans-77.9127.1171.1-1760000109.1C169 H174C169-C182 WeakPolarHBondContact CA-SG 3.48Å; C169-C182 HydrophobicContact CB-CB 3.76Å; C169-C182 WeakPolarHBondContact CB-SG 3.41Å; C169-C182 WeakPolarHBondContact SG-CB 3.48Å; C169-C182 PolarHBondContact SG-O 3.06Å; C169-C182 CovalentContact SG-SG 2.04Å; C169-C182 PolarHBondContact SG-SG 3.06Å; H174-C182 VanDerWaalsContact CD2-SG 3.54Å; H174-C182 VanDerWaalsContact CG-SG 3.57Å
183I90.4Very high86.9Confident77 Ų7757.6 Ų57.640%0.39535%0.347SS..EExtended strand (participates in β ladder)trans-117116.7173.2-58.9175.5000107.3C169 T190 S192C169-I183 VanDerWaalsContact SG-C 3.59Å; I183-T190 HydrophobicContact CB-CG2 3.81Å; I183-T190 HydrophobicContact CG2-CG2 4.27Å; I183-T190 PolarHBondContact N-O 3.15Å; I183-T190 PolarHBondContact O-N 2.79Å; I183-S192 WeakPolarHBondContact CD1-OG 3.27Å
184N89.9Confident87Confident47 Ų4757.9 Ų57.925%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-70.6137.2176.7-174.833.6000110.6D165 D167 E168 C169 G188D165-N184 PolarHBondContact OD2-ND2 2.78Å; D165-N184 PolarHBondContact OD2-OD1 3.33Å; D167-N184 PolarHBondContact OD2-ND2 3.35Å; E168-N184 PolarHBondContact OE2-OD1 3.44Å; C169-N184 PolarHBondContact SG-N 2.78Å; N184-G188 PolarHBondContact OD1-O 3.08Å
185T88.9Confident87.1Confident64 Ų6464.7 Ų64.739%0.39338%0.379SS..EExtended strand (participates in β ladder)trans-133.1155.8-179.759.60000109.7G187 G188 T190T185-G187 PolarHBondContact O-N 3.29Å; T185-G188 CarbonylContact C-O 3.59Å; T185-G188 VanDerWaalsContact C-O 3.24Å; T185-G188 VanDerWaalsContact CA-O 3.26Å; T185-G188 WeakPolarHBondContact CA-O 3.04Å; T185-G188 WeakPolarHBondContact CB-O 3.29Å; T185-G188 PolarHBondContact N-O 3.11Å; T185-G188 CarbonylContact O-C 3.45Å; T185-G188 PolarHBondContact O-N 2.98Å; T185-G188 PolarHBondContact OG1-O 3.5Å; T185-T190 HydrophobicContact CG2-CG2 3.95Å
186A87.7Confident87Confident86 Ų8657.5 Ų57.571%0.71135%0.35SS*.THydrogen-bonded Turntrans-62.1110-17700000111.6Y155Y155-A186 PolarHBondContact OH-O 3.39Å
187G83.5Confident87.3Confident30 Ų3059.7 Ų59.731%0.30936%0.356SS..THydrogen-bonded Turntrans90.214.3-178.500000115.8Y155 D165 T185Y155-G187 PolarHBondContact OH-N 3.45Å; Y155-G187 VanDerWaalsContact OH-N 3.14Å; D165-G187 PolarHBondContact OD1-N 3.1Å; T185-G187 PolarHBondContact O-N 3.29Å
188G88.9Confident87.4Confident15 Ų1563.2 Ų63.216%0.15537%0.367CS..EExtended strand (participates in β ladder)trans162.3-168.3173.700000113.3E168 N184 T185E168-G188 WeakPolarHBondContact OE1-CA 3.07Å; E168-G188 WeakPolarHBondContact OE2-CA 3.45Å; N184-G188 PolarHBondContact OD1-O 3.08Å; T185-G188 CarbonylContact C-O 3.59Å; T185-G188 VanDerWaalsContact C-O 3.24Å; T185-G188 VanDerWaalsContact CA-O 3.26Å; T185-G188 WeakPolarHBondContact CA-O 3.04Å; T185-G188 WeakPolarHBondContact CB-O 3.29Å; T185-G188 PolarHBondContact N-O 3.11Å; T185-G188 CarbonylContact O-C 3.45Å; T185-G188 PolarHBondContact O-N 2.98Å; T185-G188 PolarHBondContact OG1-O 3.5Å
189Y89.6Confident87.6Confident77 Ų7761.1 Ų61.130%0.30235%0.348SS..EExtended strand (participates in β ladder)trans-120.4156.7-179.764.7-82.4000112.5E168 H174 H175E168-Y189 HydrophobicContact CB-CD1 3.56Å; E168-Y189 HydrophobicContact CB-CE1 4.28Å; E168-Y189 HydrophobicContact CB-CG 4.14Å; E168-Y189 HydrophobicContact CG-CD1 3.8Å; E168-Y189 HydrophobicContact CG-CE1 4.39Å; E168-Y189 PolarHBondContact OE2-N 3.2Å; H174-Y189 HydrophobicContact CB-CD1 4.12Å; H174-Y189 HydrophobicContact CB-CD2 3.63Å; H174-Y189 HydrophobicContact CB-CE1 4.07Å; H174-Y189 HydrophobicContact CB-CE2 3.58Å; H174-Y189 HydrophobicContact CB-CG 3.91Å; H175-Y189 WeakPolarHBondContact CB-OH 3.44Å; H175-Y189 PolarHBondContact N-OH 2.96Å
190T88.6Confident87.9Confident71 Ų7162 Ų6244%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-120.1146.6166.8-169.50000110.4I183 T185I183-T190 HydrophobicContact CB-CG2 3.81Å; I183-T190 HydrophobicContact CG2-CG2 4.27Å; I183-T190 PolarHBondContact N-O 3.15Å; I183-T190 PolarHBondContact O-N 2.79Å; T185-T190 HydrophobicContact CG2-CG2 3.95Å
191C88.4Confident87.6Confident33 Ų3365.6 Ų65.622%0.22338%0.384CS..EExtended strand (participates in β ladder)trans-106.9120.4177-500000108.6C176 Q180C176-C191 WeakPolarHBondContact CA-SG 3.29Å; C176-C191 HydrophobicContact CB-CB 3.71Å; C176-C191 WeakPolarHBondContact CB-SG 3.48Å; C176-C191 WeakPolarHBondContact SG-CB 3.46Å; C176-C191 CovalentContact SG-SG 2.03Å; C176-C191 PolarHBondContact SG-SG 2.77Å; Q180-C191 HydrophobicContact CB-CB 4.3Å
192S88.6Confident87Confident40 Ų4064.1 Ų64.128%0.2838%0.383SS..EExtended strand (participates in β ladder)trans-120.2157.8175.271.80000110.8Q180 V181 I183Q180-S192 WeakPolarHBondContact CA-O 3.13Å; V181-S192 PolarHBondContact N-O 2.87Å; V181-S192 PolarHBondContact O-N 2.82Å; I183-S192 WeakPolarHBondContact CD1-OG 3.27Å
193C89.4Confident86.7Confident19 Ų1968 Ų6813%0.12840%0.398CS..PPolyproline II helixtrans-76159.1166.6-62.40000110.2C204C193-C204 WeakPolarHBondContact CA-SG 3.37Å; C193-C204 HydrophobicContact CB-CB 3.78Å; C193-C204 WeakPolarHBondContact CB-SG 3.43Å; C193-C204 WeakPolarHBondContact SG-CA 3.43Å; C193-C204 WeakPolarHBondContact SG-CB 3.27Å; C193-C204 CovalentContact SG-SG 2.04Å; C193-C204 PolarHBondContact SG-SG 3Å
194T87.8Confident86.6Confident67 Ų6765.5 Ų65.541%0.41139%0.387SS..PPolyproline II helixtrans-61.5158.2168.346.90000110.5V181 G196 Y197V181-T194 HydrophobicContact CG2-CG2 3.62Å; T194-G196 PolarHBondContact O-N 2.83Å; T194-Y197 PolarHBondContact O-N 3.26Å; T194-Y197 VanDerWaalsContact OG1-CD2 3.26Å; T194-Y197 WeakPolarHBondContact OG1-CD2 3.48Å
195E85.7Confident86.6Confident189 Ų18968.8 Ų68.888%0.88340%0.401SS*.THydrogen-bonded Turntrans-52.6140.2173.7-67.2-169.515800110.6
196G85.6Confident86.8Confident17 Ų1767.7 Ų67.718%0.17539%0.393CS..THydrogen-bonded Turntrans87.74-174.300000115.5T194 I207T194-G196 PolarHBondContact O-N 2.83Å; G196-I207 WeakPolarHBondContact O-CB 3.35Å; G196-I207 VanDerWaalsContact O-CG1 3.31Å; G196-I207 WeakPolarHBondContact O-CG1 3.42Å; G196-I207 PolarHBondContact O-N 3.35Å
197Y90.6Very high87Confident63 Ų6364.8 Ų64.825%0.24737%0.365CS..EExtended strand (participates in β ladder)trans-130.8140.9-179.4-66.2-99.8000113.1T194 C204 Q205 D206 A223 G224T194-Y197 PolarHBondContact O-N 3.26Å; T194-Y197 VanDerWaalsContact OG1-CD2 3.26Å; T194-Y197 WeakPolarHBondContact OG1-CD2 3.48Å; Y197-C204 HydrophobicContact CD1-CB 4.3Å; Y197-C204 HydrophobicContact CG-CB 4.48Å; Y197-Q205 CarbonylContact C-O 3.58Å; Y197-Q205 VanDerWaalsContact CA-O 3.28Å; Y197-Q205 WeakPolarHBondContact CA-O 3.43Å; Y197-Q205 VanDerWaalsContact CD1-C 3.49Å; Y197-D206 VanDerWaalsContact CD1-CA 3.48Å; Y197-D206 HydrophobicContact CD1-CB 4.16Å; Y197-D206 VanDerWaalsContact CD1-N 3.3Å; Y197-D206 HydrophobicContact CE1-CB 3.86Å; Y197-A223 VanDerWaalsContact OH-C 3.3Å; Y197-A223 WeakPolarHBondContact OH-CB 3.49Å; Y197-G224 PolarHBondContact OH-N 3.1Å
198W86.6Confident87.4Confident111 Ų11166.5 Ų66.542%0.4237%0.368SS..EExtended strand (participates in β ladder)trans-99.5143.4169.7-71-34000112.6I200 Q205 I207 Y212W198-I200 HydrophobicContact CB-CD1 4.4Å; W198-I200 HydrophobicContact CB-CG1 4.23Å; W198-I200 PolarHBondContact O-N 2.75Å; W198-Q205 PolarHBondContact N-O 2.79Å; W198-Q205 PolarHBondContact O-N 2.96Å; W198-I207 HydrophobicContact CD2-CD1 4.07Å; W198-I207 HydrophobicContact CD2-CG1 3.59Å; W198-I207 HydrophobicContact CE3-CG1 4Å; W198-I207 HydrophobicContact CG-CD1 4.13Å; W198-I207 HydrophobicContact CG-CG1 3.84Å; W198-I207 HydrophobicContact CH2-CB 4.48Å; W198-I207 HydrophobicContact CH2-CG1 4.33Å; W198-I207 HydrophobicContact CH2-CG2 3.64Å; W198-I207 HydrophobicContact CZ2-CB 4.48Å; W198-I207 HydrophobicContact CZ2-CD1 4.03Å; W198-I207 HydrophobicContact CZ2-CG1 3.98Å; W198-I207 HydrophobicContact CZ2-CG2 3.76Å; W198-I207 HydrophobicContact CZ3-CG1 4.35Å; W198-I207 HydrophobicContact CZ3-CG2 4.09Å; W198-Y212 HydrophobicContact CH2-CD2 4.33Å; W198-Y212 HydrophobicContact CH2-CE1 4.36Å; W198-Y212 AromaticContact CH2-CE2 3.39Å; W198-Y212 HydrophobicContact CH2-CE2 3.39Å; W198-Y212 AromaticContact CH2-CZ 3.4Å; W198-Y212 WeakPolarHBondContact CH2-OH 3.26Å; W198-Y212 AromaticContact CZ3-CE2 3.89Å; W198-Y212 HydrophobicContact CZ3-CE2 3.89Å; W198-Y212 AromaticContact CZ3-CZ 3.93Å; W198-Y212 VanDerWaalsContact CZ3-OH 3.3Å; W198-Y212 WeakPolarHBondContact CZ3-OH 3.44Å
199L84.9Confident87.6Confident90 Ų9066.5 Ų66.547%0.47136%0.363SS..EExtended strand (participates in β ladder)trans-82.3103.4173-177.160.2000110.1
200I84.9Confident87.8Confident85 Ų8564.6 Ų64.644%0.43636%0.361SS..EExtended strand (participates in β ladder)trans-120.3120.2178-57.7178.5000108.3W198 G202 Q203 Q205W198-I200 HydrophobicContact CB-CD1 4.4Å; W198-I200 HydrophobicContact CB-CG1 4.23Å; W198-I200 PolarHBondContact O-N 2.75Å; I200-G202 PolarHBondContact O-N 2.81Å; I200-G202 VanDerWaalsContact O-N 3.17Å; I200-Q203 PolarHBondContact N-O 2.74Å; I200-Q203 PolarHBondContact O-N 3.22Å; I200-Q205 HydrophobicContact CD1-CB 4.49Å
201A80.8Confident87.9Confident105 Ų10570.8 Ų70.887%0.86838%0.377SS*.THydrogen-bonded Turntrans5237.3179.200000114.6Q203A201-Q203 VanDerWaalsContact C-N 3.32Å; A201-Q203 PolarHBondContact O-N 3.14Å
202G76.8Confident87.9Confident37 Ų3775.4 Ų75.438%0.38139%0.39SS..THydrogen-bonded Turntrans806.9178.400000115.1N177 Q180 I200N177-G202 PolarHBondContact ND2-O 3.4Å; Q180-G202 PolarHBondContact NE2-O 3.47Å; I200-G202 PolarHBondContact O-N 2.81Å; I200-G202 VanDerWaalsContact O-N 3.17Å
203Q83.8Confident87.9Confident104 Ų10476.3 Ų76.349%0.48641%0.406SS..EExtended strand (participates in β ladder)trans-120.3145.9176.1-62.1-67.9-21.600110.2N177 I200 A201 Q205N177-Q203 VanDerWaalsContact ND2-CD 3.28Å; N177-Q203 PolarHBondContact ND2-NE2 2.82Å; N177-Q203 PolarHBondContact ND2-OE1 2.97Å; I200-Q203 PolarHBondContact N-O 2.74Å; I200-Q203 PolarHBondContact O-N 3.22Å; A201-Q203 VanDerWaalsContact C-N 3.32Å; A201-Q203 PolarHBondContact O-N 3.14Å; Q203-Q205 PolarHBondContact O-N 2.84Å
204C88.6Confident87.9Confident25 Ų2580.1 Ų80.117%0.16942%0.418CS..EExtended strand (participates in β ladder)trans-85.1112.5174.1-65.10000109.1T179 Q180 C193 Y197T179-C204 PolarHBondContact O-SG 3.36Å; Q180-C204 VanDerWaalsContact CG-SG 3.59Å; C193-C204 WeakPolarHBondContact CA-SG 3.37Å; C193-C204 HydrophobicContact CB-CB 3.78Å; C193-C204 WeakPolarHBondContact CB-SG 3.43Å; C193-C204 WeakPolarHBondContact SG-CA 3.43Å; C193-C204 WeakPolarHBondContact SG-CB 3.27Å; C193-C204 CovalentContact SG-SG 2.04Å; C193-C204 PolarHBondContact SG-SG 3Å; Y197-C204 HydrophobicContact CD1-CB 4.3Å; Y197-C204 HydrophobicContact CG-CB 4.48Å
205Q89.9Confident88.2Confident117 Ų11777.7 Ų77.755%0.54740%0.403SS..EExtended strand (participates in β ladder)trans-105.3134.7175.6-174.5167.917.200109.5Y197 W198 I200 Q203Y197-Q205 CarbonylContact C-O 3.58Å; Y197-Q205 VanDerWaalsContact CA-O 3.28Å; Y197-Q205 WeakPolarHBondContact CA-O 3.43Å; Y197-Q205 VanDerWaalsContact CD1-C 3.49Å; W198-Q205 PolarHBondContact N-O 2.79Å; W198-Q205 PolarHBondContact O-N 2.96Å; I200-Q205 HydrophobicContact CD1-CB 4.49Å; Q203-Q205 PolarHBondContact O-N 2.84Å
206D91.9Very high88.5Confident40 Ų4073.3 Ų73.321%0.21438%0.383CS..EExtended strand (participates in β ladder)trans-54.7135.9176.5-17356000111.2Y197 D208 N221 A223 G224Y197-D206 VanDerWaalsContact CD1-CA 3.48Å; Y197-D206 HydrophobicContact CD1-CB 4.16Å; Y197-D206 VanDerWaalsContact CD1-N 3.3Å; Y197-D206 HydrophobicContact CE1-CB 3.86Å; D206-D208 PolarHBondContact O-N 3.1Å; D206-N221 PolarHBondContact OD2-ND2 3.28Å; D206-A223 WeakPolarHBondContact OD1-CA 3.34Å; D206-G224 PolarHBondContact OD1-N 3.41Å
207I92Very high88.9Confident26 Ų2674.5 Ų74.513%0.13338%0.384CS..  trans-77121.2173-63.3173.8000106.6G196 W198 E209 N221G196-I207 WeakPolarHBondContact O-CB 3.35Å; G196-I207 VanDerWaalsContact O-CG1 3.31Å; G196-I207 WeakPolarHBondContact O-CG1 3.42Å; G196-I207 PolarHBondContact O-N 3.35Å; W198-I207 HydrophobicContact CD2-CD1 4.07Å; W198-I207 HydrophobicContact CD2-CG1 3.59Å; W198-I207 HydrophobicContact CE3-CG1 4Å; W198-I207 HydrophobicContact CG-CD1 4.13Å; W198-I207 HydrophobicContact CG-CG1 3.84Å; W198-I207 HydrophobicContact CH2-CB 4.48Å; W198-I207 HydrophobicContact CH2-CG1 4.33Å; W198-I207 HydrophobicContact CH2-CG2 3.64Å; W198-I207 HydrophobicContact CZ2-CB 4.48Å; W198-I207 HydrophobicContact CZ2-CD1 4.03Å; W198-I207 HydrophobicContact CZ2-CG1 3.98Å; W198-I207 HydrophobicContact CZ2-CG2 3.76Å; W198-I207 HydrophobicContact CZ3-CG1 4.35Å; W198-I207 HydrophobicContact CZ3-CG2 4.09Å; I207-E209 HydrophobicContact CG2-CG 4.08Å; I207-E209 VanDerWaalsContact O-CD 3.27Å; I207-E209 PolarHBondContact O-N 3.49Å; I207-E209 VanDerWaalsContact O-N 3.15Å; I207-N221 PolarHBondContact O-OD1 2.97Å
208D92Very high89.1Confident66 Ų6675 Ų7535%0.35339%0.391SS..  trans-8387.7172.7-179.4-7.8000109.4D206 C210 R211 Y212D206-D208 PolarHBondContact O-N 3.1Å; D208-C210 PolarHBondContact O-N 2.87Å; D208-C210 VanDerWaalsContact OD1-CB 3.3Å; D208-C210 WeakPolarHBondContact OD1-CB 3.25Å; D208-C210 PolarHBondContact OD1-N 2.74Å; D208-R211 HydrophobicContact CB-CB 4.3Å; D208-R211 WeakPolarHBondContact O-CB 3.4Å; D208-R211 PolarHBondContact O-N 2.84Å; D208-R211 VanDerWaalsContact O-N 3.1Å; D208-R211 PolarHBondContact OD1-N 2.82Å; D208-Y212 WeakPolarHBondContact O-CD2 3.39Å
209E93.1Very high89.6Confident14 Ų1471.9 Ų71.97%0.06539%0.385CS..G310 helixtrans-64.4-23-178.3-60.490.7163.300112.6I207 R211 Y212 G213 Y214 N221 Y226I207-E209 HydrophobicContact CG2-CG 4.08Å; I207-E209 VanDerWaalsContact O-CD 3.27Å; I207-E209 PolarHBondContact O-N 3.49Å; I207-E209 VanDerWaalsContact O-N 3.15Å; E209-R211 PolarHBondContact O-N 2.77Å; E209-Y212 PolarHBondContact O-N 2.85Å; E209-G213 PolarHBondContact O-N 3.04Å; E209-Y214 HydrophobicContact CB-CD1 4.33Å; E209-Y214 HydrophobicContact CB-CD2 3.97Å; E209-Y214 HydrophobicContact CB-CG 3.86Å; E209-Y214 HydrophobicContact CG-CD1 4.48Å; E209-Y214 HydrophobicContact CG-CG 4.46Å; E209-Y214 WeakPolarHBondContact O-CD2 3.44Å; E209-Y214 PolarHBondContact O-N 3.47Å; E209-N221 PolarHBondContact OE2-OD1 3.1Å; E209-N221 VanDerWaalsContact OE2-OD1 3.12Å; E209-Y226 HydrophobicContact CB-CD1 3.63Å; E209-Y226 HydrophobicContact CB-CE1 4.32Å; E209-Y226 HydrophobicContact CB-CG 3.81Å; E209-Y226 HydrophobicContact CG-CD1 3.5Å; E209-Y226 HydrophobicContact CG-CE1 4.1Å; E209-Y226 HydrophobicContact CG-CG 4.18Å
210C93.1Very high90.1Very high38 Ų3870 Ų7026%0.25738%0.382SS..G310 helixtrans-65-32175.4-58.60000111.9D208 Y212 G213 C219 A220 N221D208-C210 PolarHBondContact O-N 2.87Å; D208-C210 VanDerWaalsContact OD1-CB 3.3Å; D208-C210 WeakPolarHBondContact OD1-CB 3.25Å; D208-C210 PolarHBondContact OD1-N 2.74Å; C210-Y212 PolarHBondContact O-N 3.44Å; C210-G213 PolarHBondContact O-N 3.01Å; C210-C219 WeakPolarHBondContact CA-SG 3.44Å; C210-C219 HydrophobicContact CB-CB 3.68Å; C210-C219 WeakPolarHBondContact CB-SG 3.46Å; C210-C219 WeakPolarHBondContact SG-CB 3.07Å; C210-C219 CovalentContact SG-SG 2.03Å; C210-C219 PolarHBondContact SG-SG 2.8Å; C210-A220 VanDerWaalsContact SG-C 3.54Å; C210-N221 PolarHBondContact SG-N 2.98Å
211R91.6Very high90.5Very high201 Ų20169 Ų6976%0.75838%0.378SS*.G310 helixtrans-66.6-21.1174-171.2171.8177.3173.2-1113.3D208 E209D208-R211 HydrophobicContact CB-CB 4.3Å; D208-R211 WeakPolarHBondContact O-CB 3.4Å; D208-R211 PolarHBondContact O-N 2.84Å; D208-R211 VanDerWaalsContact O-N 3.1Å; D208-R211 PolarHBondContact OD1-N 2.82Å; E209-R211 PolarHBondContact O-N 2.77Å
212Y88.8Confident91.2Very high129 Ų12967.5 Ų67.551%0.50636%0.358SS..G310 helixtrans-102.34-178.1-63.4-83.5000113.7W198 D208 E209 C210 Y214W198-Y212 HydrophobicContact CH2-CD2 4.33Å; W198-Y212 HydrophobicContact CH2-CE1 4.36Å; W198-Y212 AromaticContact CH2-CE2 3.39Å; W198-Y212 HydrophobicContact CH2-CE2 3.39Å; W198-Y212 AromaticContact CH2-CZ 3.4Å; W198-Y212 WeakPolarHBondContact CH2-OH 3.26Å; W198-Y212 AromaticContact CZ3-CE2 3.89Å; W198-Y212 HydrophobicContact CZ3-CE2 3.89Å; W198-Y212 AromaticContact CZ3-CZ 3.93Å; W198-Y212 VanDerWaalsContact CZ3-OH 3.3Å; W198-Y212 WeakPolarHBondContact CZ3-OH 3.44Å; D208-Y212 WeakPolarHBondContact O-CD2 3.39Å; E209-Y212 PolarHBondContact O-N 2.85Å; C210-Y212 PolarHBondContact O-N 3.44Å; Y212-Y214 HydrophobicContact CG-CE2 4.45Å
213G87.6Confident91.8Very high59 Ų5969.4 Ų69.461%0.60837%0.37SS*.THydrogen-bonded Turntrans72.535.6174.800000114E209 C210 C215E209-G213 PolarHBondContact O-N 3.04Å; C210-G213 PolarHBondContact O-N 3.01Å; G213-C215 PolarHBondContact O-N 3.02Å
214Y89.1Confident92.1Very high100 Ų10065.6 Ų65.639%0.39236%0.359SS..  trans-69.5-17.9-180-86.7-116.1000114.2E209 Y212 Y226E209-Y214 HydrophobicContact CB-CD1 4.33Å; E209-Y214 HydrophobicContact CB-CD2 3.97Å; E209-Y214 HydrophobicContact CB-CG 3.86Å; E209-Y214 HydrophobicContact CG-CD1 4.48Å; E209-Y214 HydrophobicContact CG-CG 4.46Å; E209-Y214 WeakPolarHBondContact O-CD2 3.44Å; E209-Y214 PolarHBondContact O-N 3.47Å; Y212-Y214 HydrophobicContact CG-CE2 4.45Å; Y214-Y226 AromaticContact CD1-CE1 3.96Å; Y214-Y226 HydrophobicContact CD1-CE1 3.96Å; Y214-Y226 AromaticContact CD1-CZ 3.91Å
215C93.8Very high92.2Very high15 Ų1567.3 Ų67.310%0.10137%0.371CS..SBendtrans-111.2145.1174.8-55.70000110.7G213 C219 C228G213-C215 PolarHBondContact O-N 3.02Å; C215-C219 HydrophobicContact CB-CB 3.85Å; C215-C219 VanDerWaalsContact SG-CB 3.57Å; C215-C219 PolarHBondContact SG-SG 3.49Å; C215-C228 VanDerWaalsContact CA-SG 3.5Å; C215-C228 HydrophobicContact CB-CB 3.71Å; C215-C228 WeakPolarHBondContact CB-SG 3.26Å; C215-C228 WeakPolarHBondContact SG-CA 3.41Å; C215-C228 WeakPolarHBondContact SG-CB 3.37Å; C215-C228 CovalentContact SG-SG 2.03Å; C215-C228 PolarHBondContact SG-SG 2.74Å
216Q93.6Very high92.4Very high97 Ų9764 Ų6445%0.45335%0.354SS..SBendtrans-69.2-37.9177-176.8-179-13.300113R241 T242Q216-R241 PolarHBondContact N-O 2.85Å; Q216-T242 VanDerWaalsContact OE1-CA 3.26Å; Q216-T242 VanDerWaalsContact OE1-CB 3.29Å
217Q93.4Very high92.6Very high42 Ų4265.2 Ų65.220%0.19637%0.366CS..SBendtrans-122.9-93.9-175.6-63.4-175.6-3.100111.7N231 C243 Y262Q217-N231 PolarHBondContact OE1-ND2 2.92Å; Q217-C243 HydrophobicContact CG-CB 4.16Å; Q217-Y262 PolarHBondContact NE2-OH 3.5Å
218L94.8Very high92.8Very high75 Ų7564.6 Ų64.639%0.39336%0.363SS..EExtended strand (participates in β ladder)trans-94131.5-175.5-57.7172.6000110.3C228 S229 N231L218-C228 WeakPolarHBondContact O-CA 3.35Å; L218-S229 WeakPolarHBondContact CB-O 3.39Å; L218-S229 WeakPolarHBondContact CB-OG 3.4Å; L218-S229 PolarHBondContact N-O 2.95Å; L218-S229 PolarHBondContact O-N 2.73Å; L218-N231 WeakPolarHBondContact CG-OD1 3.43Å
219C96.2Very high92.9Very high45 Ų4564 Ų6430%0.30437%0.365SS..EExtended strand (participates in β ladder)trans-125.6134.4178.6-173.10000110.7C210 C215C210-C219 WeakPolarHBondContact CA-SG 3.44Å; C210-C219 HydrophobicContact CB-CB 3.68Å; C210-C219 WeakPolarHBondContact CB-SG 3.46Å; C210-C219 WeakPolarHBondContact SG-CB 3.07Å; C210-C219 CovalentContact SG-SG 2.03Å; C210-C219 PolarHBondContact SG-SG 2.8Å; C215-C219 HydrophobicContact CB-CB 3.85Å; C215-C219 VanDerWaalsContact SG-CB 3.57Å; C215-C219 PolarHBondContact SG-SG 3.49Å
220A95.8Very high93.1Very high49 Ų4964.6 Ų64.641%0.40537%0.369SS..EExtended strand (participates in β ladder)trans-119.7119.1169.100000109.2C210 Y226 S227C210-A220 VanDerWaalsContact SG-C 3.54Å; A220-Y226 WeakPolarHBondContact O-CA 3.34Å; A220-S227 PolarHBondContact N-O 2.04Å; A220-S227 PolarHBondContact O-N 2.89Å
221N94.5Very high93.2Very high64 Ų6465.9 Ų65.934%0.34237%0.374SS..EExtended strand (participates in β ladder)trans-74.2132.7174.9-171.947.7000109.8D206 I207 E209 C210D206-N221 PolarHBondContact OD2-ND2 3.28Å; I207-N221 PolarHBondContact O-OD1 2.97Å; E209-N221 PolarHBondContact OE2-OD1 3.1Å; E209-N221 VanDerWaalsContact OE2-OD1 3.12Å; C210-N221 PolarHBondContact SG-N 2.98Å
222V93.8Very high93.3Very high75 Ų7562 Ų6246%0.45538%0.375SS..EExtended strand (participates in β ladder)trans-128.7142.9-178.2-179.80000107.9G224 S225V222-G224 PolarHBondContact O-N 3Å; V222-S225 CarbonylContact C-O 3.24Å; V222-S225 WeakPolarHBondContact CA-O 3.44Å; V222-S225 PolarHBondContact N-O 3.29Å; V222-S225 CarbonylContact O-C 3.44Å; V222-S225 PolarHBondContact O-N 2.98Å
223A91.2Very high93.5Very high77 Ų7756.8 Ų56.864%0.63636%0.36SS*.THydrogen-bonded Turntrans-55114.318000000111.8Y197 D206Y197-A223 VanDerWaalsContact OH-C 3.3Å; Y197-A223 WeakPolarHBondContact OH-CB 3.49Å; D206-A223 WeakPolarHBondContact OD1-CA 3.34Å
224G88.4Confident93.9Very high24 Ų2455.1 Ų55.125%0.24734%0.336CS..THydrogen-bonded Turntrans84.13.5-178.800000115.8Y197 D206 V222Y197-G224 PolarHBondContact OH-N 3.1Å; D206-G224 PolarHBondContact OD1-N 3.41Å; V222-G224 PolarHBondContact O-N 3Å
225S92.2Very high94.2Very high61 Ų6155.8 Ų55.843%0.42735%0.346SS..EExtended strand (participates in β ladder)trans-168.1-166.1-179.3-1590000112.5V222V222-S225 CarbonylContact C-O 3.24Å; V222-S225 WeakPolarHBondContact CA-O 3.44Å; V222-S225 PolarHBondContact N-O 3.29Å; V222-S225 CarbonylContact O-C 3.44Å; V222-S225 PolarHBondContact O-N 2.98Å
226Y93.9Very high94.3Very high48 Ų4858.9 Ų58.919%0.18836%0.361CS..EExtended strand (participates in β ladder)trans-147.9159.7174.963.8-78.2000110.3E209 Y214 A220 C228 R241E209-Y226 HydrophobicContact CB-CD1 3.63Å; E209-Y226 HydrophobicContact CB-CE1 4.32Å; E209-Y226 HydrophobicContact CB-CG 3.81Å; E209-Y226 HydrophobicContact CG-CD1 3.5Å; E209-Y226 HydrophobicContact CG-CE1 4.1Å; E209-Y226 HydrophobicContact CG-CG 4.18Å; Y214-Y226 AromaticContact CD1-CE1 3.96Å; Y214-Y226 HydrophobicContact CD1-CE1 3.96Å; Y214-Y226 AromaticContact CD1-CZ 3.91Å; A220-Y226 WeakPolarHBondContact O-CA 3.34Å; Y226-C228 VanDerWaalsContact CE2-SG 3.54Å; Y226-R241 PolarHBondContact OH-NE 3.09Å; Y226-R241 PolarHBondContact OH-NH2 3.3Å
227S94.7Very high94.4Very high65 Ų6556.2 Ų56.246%0.45535%0.35SS..EExtended strand (participates in β ladder)trans-123.1124.7174.6-176.80000109.7A220A220-S227 PolarHBondContact N-O 2.04Å; A220-S227 PolarHBondContact O-N 2.89Å
228C96.3Very high94.5Very high12 Ų1261 Ų618%0.08138%0.384CS..EExtended strand (participates in β ladder)trans-91.4148169.6-54.80000111C215 L218 Y226 L236 G240C215-C228 VanDerWaalsContact CA-SG 3.5Å; C215-C228 HydrophobicContact CB-CB 3.71Å; C215-C228 WeakPolarHBondContact CB-SG 3.26Å; C215-C228 WeakPolarHBondContact SG-CA 3.41Å; C215-C228 WeakPolarHBondContact SG-CB 3.37Å; C215-C228 CovalentContact SG-SG 2.03Å; C215-C228 PolarHBondContact SG-SG 2.74Å; L218-C228 WeakPolarHBondContact O-CA 3.35Å; Y226-C228 VanDerWaalsContact CE2-SG 3.54Å; C228-L236 HydrophobicContact CB-CD1 4.25Å; C228-G240 VanDerWaalsContact CB-O 3.26Å; C228-G240 WeakPolarHBondContact CB-O 3.39Å; C228-G240 PolarHBondContact SG-O 2.75Å; C228-G240 VanDerWaalsContact SG-O 3.41Å
229S95.9Very high94.4Very high55 Ų5561.3 Ų61.339%0.38539%0.387SS..EExtended strand (participates in β ladder)trans-144166.3168.253.60000109.6L218L218-S229 WeakPolarHBondContact CB-O 3.39Å; L218-S229 WeakPolarHBondContact CB-OG 3.4Å; L218-S229 PolarHBondContact N-O 2.95Å; L218-S229 PolarHBondContact O-N 2.73Å
230C96.5Very high94.2Very high25 Ų2560.6 Ų60.617%0.16939%0.387CS..  trans-110.2153.1-178.6-55.30000110.9F234 L236 C243C230-F234 HydrophobicContact CB-CB 3.59Å; C230-L236 VanDerWaalsContact SG-CA 3.55Å; C230-C243 VanDerWaalsContact CA-SG 3.52Å; C230-C243 HydrophobicContact CB-CB 3.81Å; C230-C243 WeakPolarHBondContact CB-SG 3.38Å; C230-C243 VanDerWaalsContact SG-CA 3.55Å; C230-C243 WeakPolarHBondContact SG-CB 3.22Å; C230-C243 CovalentContact SG-SG 2.03Å; C230-C243 PolarHBondContact SG-SG 3.45Å
231N95.3Very high94.1Very high65 Ų6563.3 Ų63.335%0.34839%0.387SS..  trans-60.7159.5168.8-68.4-37000110.1Q217 L218 F234Q217-N231 PolarHBondContact OE1-ND2 2.92Å; L218-N231 WeakPolarHBondContact CG-OD1 3.43Å; N231-F234 HydrophobicContact CB-CD2 4.01Å; N231-F234 HydrophobicContact CB-CE2 4.41Å; N231-F234 WeakPolarHBondContact O-CB 3.33Å; N231-F234 PolarHBondContact O-N 3.08Å
232P93.9Very high94.1Very high121 Ų12162.5 Ų62.579%0.78639%0.385SS*.THydrogen-bonded Turntrans-52143.6169.3-24.134.4000111.4F234P232-F234 WeakPolarHBondContact O-CD2 3.38Å
233G92.1Very high94.2Very high19 Ų1959.4 Ų59.420%0.19637%0.366CS..THydrogen-bonded Turntrans85.65.1-173.900000114.4V246G233-V246 WeakPolarHBondContact O-CB 3.17Å; G233-V246 PolarHBondContact O-N 2.61Å
234F96.2Very high94.4Very high24 Ų2461.5 Ų61.511%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-133.3149.5-179.8-63.1-87.2000112.4C230 N231 P232 C243 Q244 D245 Y262 G263C230-F234 HydrophobicContact CB-CB 3.59Å; N231-F234 HydrophobicContact CB-CD2 4.01Å; N231-F234 HydrophobicContact CB-CE2 4.41Å; N231-F234 WeakPolarHBondContact O-CB 3.33Å; N231-F234 PolarHBondContact O-N 3.08Å; P232-F234 WeakPolarHBondContact O-CD2 3.38Å; F234-C243 HydrophobicContact CB-CB 4.13Å; F234-C243 HydrophobicContact CD1-CB 4.36Å; F234-C243 HydrophobicContact CG-CB 4.46Å; F234-Q244 CarbonylContact C-O 3.51Å; F234-Q244 VanDerWaalsContact CA-O 3.26Å; F234-Q244 WeakPolarHBondContact CA-O 3.34Å; F234-D245 HydrophobicContact CD1-CB 4.19Å; F234-D245 HydrophobicContact CE1-CB 3.92Å; F234-D245 WeakPolarHBondContact CE1-OD1 3.29Å; F234-Y262 HydrophobicContact CE1-CD1 4.23Å; F234-Y262 AromaticContact CE1-CD2 3.91Å; F234-Y262 HydrophobicContact CE1-CD2 3.91Å; F234-Y262 AromaticContact CE1-CE1 3.79Å; F234-Y262 HydrophobicContact CE1-CE1 3.79Å; F234-Y262 AromaticContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CE2 3.42Å; F234-Y262 VanDerWaalsContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CG 4.29Å; F234-Y262 AromaticContact CE1-CZ 3.34Å; F234-Y262 HydrophobicContact CE2-CE1 4.39Å; F234-Y262 AromaticContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD2 4.09Å; F234-Y262 AromaticContact CZ-CE1 3.37Å; F234-Y262 HydrophobicContact CZ-CE1 3.37Å; F234-Y262 AromaticContact CZ-CE2 3.86Å; F234-Y262 HydrophobicContact CZ-CE2 3.86Å; F234-Y262 AromaticContact CZ-CG 3.99Å; F234-Y262 HydrophobicContact CZ-CG 3.99Å; F234-Y262 AromaticContact CZ-CZ 3.47Å; F234-Y262 VanDerWaalsContact CZ-CZ 3.47Å; F234-G263 VanDerWaalsContact CZ-N 3.35Å
235L95.8Very high94.8Very high114 Ų11462.2 Ų62.260%0.59736%0.361SS*.EExtended strand (participates in β ladder)trans-112138.6172.9-69.2170.5000110.8N237 C243 Q244 V246L235-N237 PolarHBondContact O-N 3.27Å; L235-C243 CarbonylContact O-C 3.57Å; L235-C243 WeakPolarHBondContact O-CA 3.35Å; L235-Q244 PolarHBondContact N-O 3.49Å; L235-Q244 PolarHBondContact O-N 3.4Å; L235-V246 HydrophobicContact CB-CG2 4.42Å; L235-V246 HydrophobicContact CD1-CG2 3.85Å; L235-V246 HydrophobicContact CG-CG2 3.56Å
236L96.3Very high95Very high79 Ų7961.4 Ų61.441%0.41435%0.353SS..EExtended strand (participates in β ladder)trans-72.4125.2175.2-17464.2000109.5C228 C230C228-L236 HydrophobicContact CB-CD1 4.25Å; C230-L236 VanDerWaalsContact SG-CA 3.55Å
237N95.6Very high95.1Very high42 Ų4262.3 Ų62.323%0.22536%0.361CS..  trans-69.4163.2178.5-78.4-33.9000112.1L235 D239 G240 T242 Q244L235-N237 PolarHBondContact O-N 3.27Å; N237-D239 WeakPolarHBondContact CB-OD1 3.21Å; N237-D239 PolarHBondContact O-N 3.44Å; N237-G240 PolarHBondContact O-N 2.04Å; N237-T242 WeakPolarHBondContact CB-O 3.49Å; N237-T242 WeakPolarHBondContact CB-OG1 3.35Å; N237-T242 PolarHBondContact N-O 3.4Å; N237-T242 PolarHBondContact ND2-OG1 2.72Å; N237-Q244 WeakPolarHBondContact OD1-CB 3.38Å
238P95.3Very high95.1Very high141 Ų14161.1 Ų61.192%0.91635%0.349SS*.THydrogen-bonded Turntrans-60.3-16.8178.3-24.634.8000114.8G240P238-G240 PolarHBondContact O-N 3.11Å
239D92.5Very high95.1Very high82 Ų8261.7 Ų61.744%0.43935%0.352SS..THydrogen-bonded Turntrans-71.7-9.8173.469.8-1.7000113.2N237 R241 T242N237-D239 WeakPolarHBondContact CB-OD1 3.21Å; N237-D239 PolarHBondContact O-N 3.44Å; D239-R241 PolarHBondContact O-N 2.85Å; D239-R241 PolarHBondContact OD1-N 3.39Å; D239-T242 PolarHBondContact OD1-N 2.82Å; D239-T242 PolarHBondContact OD1-OG1 2.94Å; D239-T242 WeakPolarHBondContact OD2-CB 3.49Å; D239-T242 VanDerWaalsContact OD2-CG2 3.22Å; D239-T242 WeakPolarHBondContact OD2-CG2 3.42Å; D239-T242 PolarHBondContact OD2-N 2.02Å; D239-T242 PolarHBondContact OD2-OG1 3.43Å
240G92.6Very high95.1Very high31 Ų3166.3 Ų66.332%0.3237%0.368SS..SBendtrans66.615.6-179.200000114C228 N237 P238C228-G240 VanDerWaalsContact CB-O 3.26Å; C228-G240 WeakPolarHBondContact CB-O 3.39Å; C228-G240 PolarHBondContact SG-O 2.75Å; C228-G240 VanDerWaalsContact SG-O 3.41Å; N237-G240 PolarHBondContact O-N 2.04Å; P238-G240 PolarHBondContact O-N 3.11Å
241R92.9Very high94.9Very high105 Ų10573.2 Ų73.240%0.39640%0.397SS..SBendtrans-135-36.8-173.1-64.5-178.2-172.4-151.7-4.1114.1Q216 Y226 D239Q216-R241 PolarHBondContact N-O 2.85Å; Y226-R241 PolarHBondContact OH-NE 3.09Å; Y226-R241 PolarHBondContact OH-NH2 3.3Å; D239-R241 PolarHBondContact O-N 2.85Å; D239-R241 PolarHBondContact OD1-N 3.39Å
242T94.6Very high94.8Very high48 Ų4878 Ų7829%0.29442%0.418SS..  trans-99.9152.8-176.8600000111.8Q216 N237 D239Q216-T242 VanDerWaalsContact OE1-CA 3.26Å; Q216-T242 VanDerWaalsContact OE1-CB 3.29Å; N237-T242 WeakPolarHBondContact CB-O 3.49Å; N237-T242 WeakPolarHBondContact CB-OG1 3.35Å; N237-T242 PolarHBondContact N-O 3.4Å; N237-T242 PolarHBondContact ND2-OG1 2.72Å; D239-T242 PolarHBondContact OD1-N 2.82Å; D239-T242 PolarHBondContact OD1-OG1 2.94Å; D239-T242 WeakPolarHBondContact OD2-CB 3.49Å; D239-T242 VanDerWaalsContact OD2-CG2 3.22Å; D239-T242 WeakPolarHBondContact OD2-CG2 3.42Å; D239-T242 PolarHBondContact OD2-N 2.02Å; D239-T242 PolarHBondContact OD2-OG1 3.43Å
243C95.9Very high94.7Very high9 Ų974.5 Ų74.56%0.06140%0.395CS..EExtended strand (participates in β ladder)trans-115.4123-176.7-650000109.2Q217 C230 F234 L235Q217-C243 HydrophobicContact CG-CB 4.16Å; C230-C243 VanDerWaalsContact CA-SG 3.52Å; C230-C243 HydrophobicContact CB-CB 3.81Å; C230-C243 WeakPolarHBondContact CB-SG 3.38Å; C230-C243 VanDerWaalsContact SG-CA 3.55Å; C230-C243 WeakPolarHBondContact SG-CB 3.22Å; C230-C243 CovalentContact SG-SG 2.03Å; C230-C243 PolarHBondContact SG-SG 3.45Å; F234-C243 HydrophobicContact CB-CB 4.13Å; F234-C243 HydrophobicContact CD1-CB 4.36Å; F234-C243 HydrophobicContact CG-CB 4.46Å; L235-C243 CarbonylContact O-C 3.57Å; L235-C243 WeakPolarHBondContact O-CA 3.35Å
244Q95.6Very high94.8Very high121 Ų12174.3 Ų74.357%0.56539%0.391SS*.EExtended strand (participates in β ladder)trans-93.7133.7171.9-177.3175.38.500109.5F234 L235 N237F234-Q244 CarbonylContact C-O 3.51Å; F234-Q244 VanDerWaalsContact CA-O 3.26Å; F234-Q244 WeakPolarHBondContact CA-O 3.34Å; L235-Q244 PolarHBondContact N-O 3.49Å; L235-Q244 PolarHBondContact O-N 3.4Å; N237-Q244 WeakPolarHBondContact OD1-CB 3.38Å
245D97.1Very high94.7Very high39 Ų3976.4 Ų76.421%0.20941%0.408CS..EExtended strand (participates in β ladder)trans-61.2134.3173.3-16964.6000110.8F234 N260 G263F234-D245 HydrophobicContact CD1-CB 4.19Å; F234-D245 HydrophobicContact CE1-CB 3.92Å; F234-D245 WeakPolarHBondContact CE1-OD1 3.29Å; D245-N260 PolarHBondContact OD2-ND2 3.25Å; D245-G263 WeakPolarHBondContact OD1-CA 3.1Å; D245-G263 PolarHBondContact OD1-N 3.19Å
246V96.4Very high94.6Very high45 Ų4574 Ų7427%0.27339%0.394SS..PPolyproline II helixtrans-85.1121.5174.1177.70000107.8G233 L235 E248G233-V246 WeakPolarHBondContact O-CB 3.17Å; G233-V246 PolarHBondContact O-N 2.61Å; L235-V246 HydrophobicContact CB-CG2 4.42Å; L235-V246 HydrophobicContact CD1-CG2 3.85Å; L235-V246 HydrophobicContact CG-CG2 3.56Å; V246-E248 HydrophobicContact CG1-CG 4.26Å; V246-E248 VanDerWaalsContact O-CD 3.27Å; V246-E248 PolarHBondContact O-N 2.82Å; V246-E248 VanDerWaalsContact O-N 3.12Å
247D95.9Very high94.5Very high66 Ų6671.3 Ų71.335%0.35339%0.386SS..  trans-79.595.2171.7-164.3-30.6000109.7C249 E250 N260D247-C249 PolarHBondContact O-N 2.93Å; D247-C249 WeakPolarHBondContact OD1-CA 3.48Å; D247-C249 WeakPolarHBondContact OD1-CB 3.14Å; D247-C249 PolarHBondContact OD1-N 3.15Å; D247-E250 HydrophobicContact CB-CG 4.22Å; D247-N260 WeakPolarHBondContact OD1-CB 3.3Å
248E95.3Very high94.6Very high41 Ų4171 Ų7119%0.19239%0.386CS..G310 helixtrans-70.5-13.1178.4-59.39717300112.9V246 E250 E251 P253 N260 S264 F265V246-E248 HydrophobicContact CG1-CG 4.26Å; V246-E248 VanDerWaalsContact O-CD 3.27Å; V246-E248 PolarHBondContact O-N 2.82Å; V246-E248 VanDerWaalsContact O-N 3.12Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 PolarHBondContact O-N 3.24Å; E248-E251 PolarHBondContact O-N 2.91Å; E248-P253 WeakPolarHBondContact O-CD 3.42Å; E248-P253 WeakPolarHBondContact O-CG 3.5Å; E248-N260 PolarHBondContact OE2-OD1 2.82Å; E248-S264 WeakPolarHBondContact OE2-CA 3.26Å; E248-F265 HydrophobicContact CB-CB 4.2Å; E248-F265 HydrophobicContact CB-CD1 3.5Å; E248-F265 VanDerWaalsContact CB-CD1 3.5Å; E248-F265 HydrophobicContact CB-CE1 4.16Å; E248-F265 HydrophobicContact CB-CG 4.02Å; E248-F265 HydrophobicContact CG-CD1 3.95Å; E248-F265 PolarHBondContact OE2-N 3.41Å
249C95.4Very high94.6Very high23 Ų2370.3 Ų70.316%0.15537%0.369CS..G310 helixtrans-72.8-19179.3-65.60000113.6D247 E251 Q252 C258 F259 N260D247-C249 PolarHBondContact O-N 2.93Å; D247-C249 WeakPolarHBondContact OD1-CA 3.48Å; D247-C249 WeakPolarHBondContact OD1-CB 3.14Å; D247-C249 PolarHBondContact OD1-N 3.15Å; C249-E251 PolarHBondContact O-N 3.1Å; C249-Q252 PolarHBondContact O-N 2.68Å; C249-C258 WeakPolarHBondContact CA-SG 3.39Å; C249-C258 HydrophobicContact CB-CB 3.72Å; C249-C258 WeakPolarHBondContact CB-SG 3.44Å; C249-C258 WeakPolarHBondContact SG-CB 3.1Å; C249-C258 CovalentContact SG-SG 2.04Å; C249-C258 PolarHBondContact SG-SG 3.16Å; C249-F259 PolarHBondContact SG-N 3.03Å; C249-N260 PolarHBondContact SG-N 2.61Å
250E94.8Very high94.7Very high152 Ų15269 Ų6971%0.7136%0.362SS*.G310 helixtrans-60.9-28.6174.9-69.6-66144.200112.3D247 E248 Q252D247-E250 HydrophobicContact CB-CG 4.22Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 PolarHBondContact O-N 3.24Å; E250-Q252 VanDerWaalsContact C-N 3.33Å
251E93.1Very high94.9Very high170 Ų17070 Ų7079%0.79436%0.362SS*.G310 helixtrans-88.32.9177.2-64.7-67.3155.500113.4E248 C249E248-E251 PolarHBondContact O-N 2.91Å; C249-E251 PolarHBondContact O-N 3.1Å
252Q92.8Very high94.9Very high167 Ų16772.4 Ų72.478%0.7837%0.372SS*.  trans49.556.6-179.7-57.8-179-1.600114.1C249 E250 C254C249-Q252 PolarHBondContact O-N 2.68Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-C254 PolarHBondContact O-N 2.99Å
253P92.8Very high94.8Very high47 Ų4771 Ų7131%0.30537%0.368SS..  trans-71.8-18.1-176.830.4-36.7000113.6E248 F265E248-P253 WeakPolarHBondContact O-CD 3.42Å; E248-P253 WeakPolarHBondContact O-CG 3.5Å; P253-F265 HydrophobicContact CB-CE2 3.81Å; P253-F265 HydrophobicContact CB-CZ 3.84Å; P253-F265 HydrophobicContact CG-CD2 3.74Å; P253-F265 HydrophobicContact CG-CE1 4.39Å; P253-F265 HydrophobicContact CG-CE2 3.45Å; P253-F265 VanDerWaalsContact CG-CE2 3.45Å; P253-F265 HydrophobicContact CG-CG 4.32Å; P253-F265 HydrophobicContact CG-CZ 3.82Å
254C94.8Very high94.8Very high15 Ų1573.3 Ų73.310%0.10138%0.384CS..SBendtrans-92.3148.3-177.1-55.60000111.7Q252 H256 C258 C267Q252-C254 PolarHBondContact O-N 2.99Å; C254-H256 VanDerWaalsContact C-N 3.34Å; C254-C258 HydrophobicContact CB-CB 4.12Å; C254-C258 WeakPolarHBondContact SG-CB 3.38Å; C254-C267 VanDerWaalsContact CA-SG 3.57Å; C254-C267 HydrophobicContact CB-CB 3.68Å; C254-C267 WeakPolarHBondContact CB-SG 3.31Å; C254-C267 WeakPolarHBondContact SG-CA 3.46Å; C254-C267 WeakPolarHBondContact SG-CB 3.39Å; C254-C267 CovalentContact SG-SG 2.02Å; C254-C267 PolarHBondContact SG-SG 3.49Å
255S94.3Very high94.7Very high68 Ų6870.2 Ų70.248%0.47637%0.368SS..SBendtrans-68-32.5173.6-620000113.4T280 T281S255-T280 PolarHBondContact N-O 3.36Å; S255-T280 PolarHBondContact OG-O 2.72Å; S255-T281 WeakPolarHBondContact OG-CA 3.4Å
256H93.4Very high94.6Very high62 Ų6274.1 Ų74.129%0.28739%0.387SS..SBendtrans-121.5-117.6178.4-62.6159.1000110.5C254 N268 D270 Y273 C282C254-H256 VanDerWaalsContact C-N 3.34Å; H256-N268 WeakPolarHBondContact CB-O 3.21Å; H256-D270 IonicContact CD2-OD2 3.97Å; H256-D270 IonicContact CG-OD2 3.8Å; H256-D270 PolarHBondContact ND1-N 3.41Å; H256-Y273 AromaticContact CE1-CD1 3.66Å; H256-Y273 AromaticContact CE1-CD2 3.7Å; H256-Y273 AromaticContact CE1-CG 3.52Å; H256-C282 WeakPolarHBondContact CE1-CB 3.4Å; H256-C282 WeakPolarHBondContact ND1-CB 3.02Å; H256-C282 PolarHBondContact ND1-SG 2.89Å; H256-C282 VanDerWaalsContact ND1-SG 3.36Å
257G94.4Very high94.6Very high24 Ų2472.7 Ų72.725%0.24738%0.379CS..EExtended strand (participates in β ladder)trans-78.1141.6-178.700000112.9C267 N268G257-C267 CarbonylContact O-C 3.58Å; G257-C267 WeakPolarHBondContact O-CA 3.31Å; G257-N268 PolarHBondContact N-O 2.72Å; G257-N268 PolarHBondContact O-N 2.99Å
258C96.6Very high94.5Very high35 Ų3573.8 Ų73.824%0.23639%0.385CS..EExtended strand (participates in β ladder)trans-120.5137.4172.1-170.80000110C249 C254C249-C258 WeakPolarHBondContact CA-SG 3.39Å; C249-C258 HydrophobicContact CB-CB 3.72Å; C249-C258 WeakPolarHBondContact CB-SG 3.44Å; C249-C258 WeakPolarHBondContact SG-CB 3.1Å; C249-C258 CovalentContact SG-SG 2.04Å; C249-C258 PolarHBondContact SG-SG 3.16Å; C254-C258 HydrophobicContact CB-CB 4.12Å; C254-C258 WeakPolarHBondContact SG-CB 3.38Å
259F95.2Very high94.6Very high127 Ų12772.7 Ų72.756%0.55738%0.381SS*.EExtended strand (participates in β ladder)trans-125.5117.3172.8-66.5-78.8000109.1C249 F265 M266 N268C249-F259 PolarHBondContact SG-N 3.03Å; F259-F265 WeakPolarHBondContact O-CA 3.5Å; F259-M266 PolarHBondContact N-O 3.03Å; F259-M266 PolarHBondContact O-N 3.2Å; F259-N268 HydrophobicContact CD2-CB 4.07Å; F259-N268 HydrophobicContact CE2-CB 3.71Å
260N95.9Very high94.6Very high55 Ų5575.9 Ų75.929%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-69.2136.2174.1-171.535.4000110D245 D247 E248 C249 S264D245-N260 PolarHBondContact OD2-ND2 3.25Å; D247-N260 WeakPolarHBondContact OD1-CB 3.3Å; E248-N260 PolarHBondContact OE2-OD1 2.82Å; C249-N260 PolarHBondContact SG-N 2.61Å; N260-S264 PolarHBondContact OD1-O 3.2Å
261T95.1Very high94.5Very high50 Ų5077.6 Ų77.631%0.30741%0.405SS..EExtended strand (participates in β ladder)trans-125.8165.3178.265.80000109.2G263 S264 M266T261-G263 PolarHBondContact O-N 3.23Å; T261-S264 CarbonylContact C-O 3.58Å; T261-S264 WeakPolarHBondContact CA-O 3.25Å; T261-S264 WeakPolarHBondContact CB-O 3.4Å; T261-S264 PolarHBondContact N-O 3.2Å; T261-S264 PolarHBondContact O-N 3.45Å; T261-S264 VanDerWaalsContact OG1-C 3.25Å; T261-S264 PolarHBondContact OG1-O 3.37Å; T261-M266 HydrophobicContact CG2-CB 4.37Å; T261-M266 HydrophobicContact CG2-CG 3.93Å; T261-M266 HydrophobicContact CG2-SD 4.18Å
262Y94.4Very high94.5Very high156 Ų15670.1 Ų70.161%0.61237%0.373SS*.THydrogen-bonded Turntrans-68.6109.6-178.2-169.4-101.3000111.2Q217 F234Q217-Y262 PolarHBondContact NE2-OH 3.5Å; F234-Y262 HydrophobicContact CE1-CD1 4.23Å; F234-Y262 AromaticContact CE1-CD2 3.91Å; F234-Y262 HydrophobicContact CE1-CD2 3.91Å; F234-Y262 AromaticContact CE1-CE1 3.79Å; F234-Y262 HydrophobicContact CE1-CE1 3.79Å; F234-Y262 AromaticContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CE2 3.42Å; F234-Y262 VanDerWaalsContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CG 4.29Å; F234-Y262 AromaticContact CE1-CZ 3.34Å; F234-Y262 HydrophobicContact CE2-CE1 4.39Å; F234-Y262 AromaticContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD2 4.09Å; F234-Y262 AromaticContact CZ-CE1 3.37Å; F234-Y262 HydrophobicContact CZ-CE1 3.37Å; F234-Y262 AromaticContact CZ-CE2 3.86Å; F234-Y262 HydrophobicContact CZ-CE2 3.86Å; F234-Y262 AromaticContact CZ-CG 3.99Å; F234-Y262 HydrophobicContact CZ-CG 3.99Å; F234-Y262 AromaticContact CZ-CZ 3.47Å; F234-Y262 VanDerWaalsContact CZ-CZ 3.47Å
263G92.6Very high94.6Very high20 Ų2064.9 Ų64.921%0.20635%0.347CS..THydrogen-bonded Turntrans85.39.4178.500000115.8F234 D245 T261F234-G263 VanDerWaalsContact CZ-N 3.35Å; D245-G263 WeakPolarHBondContact OD1-CA 3.1Å; D245-G263 PolarHBondContact OD1-N 3.19Å; T261-G263 PolarHBondContact O-N 3.23Å
264S94.4Very high94.7Very high57 Ų5767 Ų6740%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-172.5178.7-179.5-173.90000109.9E248 N260 T261E248-S264 WeakPolarHBondContact OE2-CA 3.26Å; N260-S264 PolarHBondContact OD1-O 3.2Å; T261-S264 CarbonylContact C-O 3.58Å; T261-S264 WeakPolarHBondContact CA-O 3.25Å; T261-S264 WeakPolarHBondContact CB-O 3.4Å; T261-S264 PolarHBondContact N-O 3.2Å; T261-S264 PolarHBondContact O-N 3.45Å; T261-S264 VanDerWaalsContact OG1-C 3.25Å; T261-S264 PolarHBondContact OG1-O 3.37Å
265F95.1Very high94.7Very high55 Ų5569.9 Ų69.924%0.24137%0.366CS..EExtended strand (participates in β ladder)trans-119.7166.7168.267.4-75.7000111.9E248 P253 F259 T280E248-F265 HydrophobicContact CB-CB 4.2Å; E248-F265 HydrophobicContact CB-CD1 3.5Å; E248-F265 VanDerWaalsContact CB-CD1 3.5Å; E248-F265 HydrophobicContact CB-CE1 4.16Å; E248-F265 HydrophobicContact CB-CG 4.02Å; E248-F265 HydrophobicContact CG-CD1 3.95Å; E248-F265 PolarHBondContact OE2-N 3.41Å; P253-F265 HydrophobicContact CB-CE2 3.81Å; P253-F265 HydrophobicContact CB-CZ 3.84Å; P253-F265 HydrophobicContact CG-CD2 3.74Å; P253-F265 HydrophobicContact CG-CE1 4.39Å; P253-F265 HydrophobicContact CG-CE2 3.45Å; P253-F265 VanDerWaalsContact CG-CE2 3.45Å; P253-F265 HydrophobicContact CG-CG 4.32Å; P253-F265 HydrophobicContact CG-CZ 3.82Å; F259-F265 WeakPolarHBondContact O-CA 3.5Å; F265-T280 HydrophobicContact CE2-CG2 4.09Å; F265-T280 HydrophobicContact CZ-CG2 4.14Å
266M94.4Very high94.7Very high122 Ų12267.5 Ų67.560%0.60135%0.351SS*.EExtended strand (participates in β ladder)trans-130.1135.7170.6-69.3-173.964.900110.5F259 T261F259-M266 PolarHBondContact N-O 3.03Å; F259-M266 PolarHBondContact O-N 3.2Å; T261-M266 HydrophobicContact CG2-CB 4.37Å; T261-M266 HydrophobicContact CG2-CG 3.93Å; T261-M266 HydrophobicContact CG2-SD 4.18Å
267C96.4Very high94.8Very high15 Ų1571 Ų7110%0.10138%0.383CS..EExtended strand (participates in β ladder)trans-91.6144.9172.8-57.90000111.4C254 G257 L275 G279C254-C267 VanDerWaalsContact CA-SG 3.57Å; C254-C267 HydrophobicContact CB-CB 3.68Å; C254-C267 WeakPolarHBondContact CB-SG 3.31Å; C254-C267 WeakPolarHBondContact SG-CA 3.46Å; C254-C267 WeakPolarHBondContact SG-CB 3.39Å; C254-C267 CovalentContact SG-SG 2.02Å; C254-C267 PolarHBondContact SG-SG 3.49Å; G257-C267 CarbonylContact O-C 3.58Å; G257-C267 WeakPolarHBondContact O-CA 3.31Å; C267-L275 HydrophobicContact CB-CD1 3.83Å; C267-G279 WeakPolarHBondContact CB-O 3.47Å; C267-G279 PolarHBondContact SG-O 3.43Å; C267-G279 VanDerWaalsContact SG-O 3.37Å
268N94.4Very high94.7Very high89 Ų8974 Ų7448%0.47639%0.392SS..EExtended strand (participates in β ladder)trans-125.8139.7171.7-176.466000110H256 G257 F259H256-N268 WeakPolarHBondContact CB-O 3.21Å; G257-N268 PolarHBondContact N-O 2.72Å; G257-N268 PolarHBondContact O-N 2.99Å; F259-N268 HydrophobicContact CD2-CB 4.07Å; F259-N268 HydrophobicContact CE2-CB 3.71Å
269C96.3Very high94.5Very high17 Ų1773.8 Ų73.812%0.11540%0.396CS..PPolyproline II helixtrans-95145.8178-59.30000111.3E274 L275 C282C269-E274 VanDerWaalsContact SG-C 3.57Å; C269-L275 VanDerWaalsContact SG-CA 3.59Å; C269-C282 WeakPolarHBondContact CA-SG 3.16Å; C269-C282 HydrophobicContact CB-CB 3.79Å; C269-C282 WeakPolarHBondContact CB-SG 3.16Å; C269-C282 VanDerWaalsContact SG-CA 3.53Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.04Å; C269-C282 PolarHBondContact SG-SG 2.98Å
270D95.3Very high94.5Very high91 Ų9169.5 Ų69.549%0.48738%0.381SS..PPolyproline II helixtrans-63.3164.9170.6-64.5-23000111.4H256 G272 Y273H256-D270 IonicContact CD2-OD2 3.97Å; H256-D270 IonicContact CG-OD2 3.8Å; H256-D270 PolarHBondContact ND1-N 3.41Å; D270-G272 PolarHBondContact O-N 3.26Å; D270-Y273 HydrophobicContact CB-CD2 4.44Å; D270-Y273 PolarHBondContact O-N 3.2Å; D270-Y273 VanDerWaalsContact O-N 3.16Å
271E93.4Very high94.4Very high188 Ų18869.3 Ų69.388%0.87938%0.382SS*.THydrogen-bonded Turntrans-56.2136.7176.8-169.1175.5-177.800110.9
272G92.8Very high94.5Very high12 Ų1267.7 Ų67.712%0.12437%0.372CS..THydrogen-bonded Turntrans85.16.5-175.200000114.9D270 L285D270-G272 PolarHBondContact O-N 3.26Å; G272-L285 WeakPolarHBondContact O-CB 3.32Å; G272-L285 PolarHBondContact O-N 2.9Å
273Y95.7Very high94.5Very high58 Ų5863.9 Ų63.923%0.22736%0.362CS..EExtended strand (participates in β ladder)trans-129.4152.7176.7-64.6-99.6000112.1H256 D270 C282 I283 D284 P303 G304H256-Y273 AromaticContact CE1-CD1 3.66Å; H256-Y273 AromaticContact CE1-CD2 3.7Å; H256-Y273 AromaticContact CE1-CG 3.52Å; D270-Y273 HydrophobicContact CB-CD2 4.44Å; D270-Y273 PolarHBondContact O-N 3.2Å; D270-Y273 VanDerWaalsContact O-N 3.16Å; Y273-C282 HydrophobicContact CD1-CB 4.49Å; Y273-I283 CarbonylContact C-O 3.57Å; Y273-I283 VanDerWaalsContact CA-O 3.23Å; Y273-I283 WeakPolarHBondContact CA-O 3.24Å; Y273-I283 WeakPolarHBondContact CB-O 3.41Å; Y273-D284 HydrophobicContact CD1-CB 4.19Å; Y273-D284 HydrophobicContact CE1-CB 3.99Å; Y273-P303 WeakPolarHBondContact OH-CB 3.45Å; Y273-G304 PolarHBondContact OH-N 2.68Å
274E94Very high94.7Very high91 Ų9165.3 Ų65.343%0.42537%0.365SS..EExtended strand (participates in β ladder)trans-119.1151.5171.864.4177-174.200112C269 A276 C282 I283 L285C269-E274 VanDerWaalsContact SG-C 3.57Å; E274-A276 PolarHBondContact O-N 3.04Å; E274-C282 CarbonylContact O-C 3.38Å; E274-C282 WeakPolarHBondContact O-CA 3.37Å; E274-I283 HydrophobicContact CG-CD1 3.89Å; E274-I283 HydrophobicContact CG-CG1 3.49Å; E274-I283 VanDerWaalsContact CG-CG1 3.49Å; E274-I283 PolarHBondContact N-O 2.81Å; E274-I283 WeakPolarHBondContact O-CG1 3.41Å; E274-I283 PolarHBondContact O-N 3.4Å; E274-I283 WeakPolarHBondContact OE1-CD1 3.07Å; E274-L285 HydrophobicContact CB-CD1 4.47Å; E274-L285 HydrophobicContact CB-CD2 3.72Å; E274-L285 HydrophobicContact CB-CG 4.06Å; E274-L285 HydrophobicContact CG-CD2 3.6Å; E274-L285 HydrophobicContact CG-CG 4.18Å; E274-L285 WeakPolarHBondContact OE2-CD2 3.08Å
275L95.4Very high94.7Very high75 Ų7564.7 Ų64.739%0.39336%0.357SS..EExtended strand (participates in β ladder)trans-76.6124.2178.7-166.468.7000109.7C267 C269C267-L275 HydrophobicContact CB-CD1 3.83Å; C269-L275 VanDerWaalsContact SG-CA 3.59Å
276A94.6Very high94.7Very high18 Ų1864.6 Ų64.615%0.14936%0.359CS..  trans-68.2169.9177.800000111.9E274 D278 G279 T281 I283E274-A276 PolarHBondContact O-N 3.04Å; A276-D278 PolarHBondContact O-N 3.48Å; A276-D278 VanDerWaalsContact O-N 3.09Å; A276-G279 PolarHBondContact O-N 2.81Å; A276-T281 VanDerWaalsContact CB-O 3.31Å; A276-T281 WeakPolarHBondContact CB-O 3.48Å; A276-T281 WeakPolarHBondContact CB-OG1 3.42Å; A276-T281 PolarHBondContact N-O 3.28Å; A276-I283 HydrophobicContact CB-CG2 4.21Å
277S93.6Very high94.6Very high137 Ų13760.5 Ų60.596%0.95834%0.338SS*.THydrogen-bonded Turntrans-64.1-15.4-178.7570000114.8G279S277-G279 VanDerWaalsContact C-N 3.26Å
278D93.2Very high94.5Very high85 Ų8561.3 Ų61.346%0.45534%0.343SS..THydrogen-bonded Turntrans-80.2-7.8174.563.614.2000113.1A276 T280 T281A276-D278 PolarHBondContact O-N 3.48Å; A276-D278 VanDerWaalsContact O-N 3.09Å; D278-T280 PolarHBondContact O-N 2.84Å; D278-T280 PolarHBondContact OD1-N 3.35Å; D278-T280 PolarHBondContact OD1-OG1 3.16Å; D278-T281 PolarHBondContact OD1-N 3.45Å; D278-T281 PolarHBondContact OD1-OG1 3.09Å; D278-T281 VanDerWaalsContact OD1-OG1 3.04Å; D278-T281 WeakPolarHBondContact OD2-CB 3.02Å; D278-T281 VanDerWaalsContact OD2-CG2 3.23Å; D278-T281 WeakPolarHBondContact OD2-CG2 3.5Å; D278-T281 PolarHBondContact OD2-OG1 2.88Å
279G92.5Very high94.4Very high31 Ų3161.6 Ų61.632%0.3235%0.352SS..SBendtrans71.27.3179.800000114.9C267 A276 S277C267-G279 WeakPolarHBondContact CB-O 3.47Å; C267-G279 PolarHBondContact SG-O 3.43Å; C267-G279 VanDerWaalsContact SG-O 3.37Å; A276-G279 PolarHBondContact O-N 2.81Å; S277-G279 VanDerWaalsContact C-N 3.26Å
280T94.3Very high93.8Very high38 Ų3868 Ų6823%0.23338%0.379CS..SBendtrans-132.2-28-174.155.60000114.2S255 F265 D278S255-T280 PolarHBondContact N-O 3.36Å; S255-T280 PolarHBondContact OG-O 2.72Å; F265-T280 HydrophobicContact CE2-CG2 4.09Å; F265-T280 HydrophobicContact CZ-CG2 4.14Å; D278-T280 PolarHBondContact O-N 2.84Å; D278-T280 PolarHBondContact OD1-N 3.35Å; D278-T280 PolarHBondContact OD1-OG1 3.16Å
281T95.6Very high93.3Very high50 Ų5065.9 Ų65.931%0.30737%0.371SS..  trans-94.6137.6178.659.80000111.6S255 A276 D278S255-T281 WeakPolarHBondContact OG-CA 3.4Å; A276-T281 VanDerWaalsContact CB-O 3.31Å; A276-T281 WeakPolarHBondContact CB-O 3.48Å; A276-T281 WeakPolarHBondContact CB-OG1 3.42Å; A276-T281 PolarHBondContact N-O 3.28Å; D278-T281 PolarHBondContact OD1-N 3.45Å; D278-T281 PolarHBondContact OD1-OG1 3.09Å; D278-T281 VanDerWaalsContact OD1-OG1 3.04Å; D278-T281 WeakPolarHBondContact OD2-CB 3.02Å; D278-T281 VanDerWaalsContact OD2-CG2 3.23Å; D278-T281 WeakPolarHBondContact OD2-CG2 3.5Å; D278-T281 PolarHBondContact OD2-OG1 2.88Å
282C96.1Very high92.6Very high17 Ų1765.5 Ų65.512%0.11537%0.369CS..EExtended strand (participates in β ladder)trans-102.4121.3175.3-68.50000108.8H256 C269 Y273 E274H256-C282 WeakPolarHBondContact CE1-CB 3.4Å; H256-C282 WeakPolarHBondContact ND1-CB 3.02Å; H256-C282 PolarHBondContact ND1-SG 2.89Å; H256-C282 VanDerWaalsContact ND1-SG 3.36Å; C269-C282 WeakPolarHBondContact CA-SG 3.16Å; C269-C282 HydrophobicContact CB-CB 3.79Å; C269-C282 WeakPolarHBondContact CB-SG 3.16Å; C269-C282 VanDerWaalsContact SG-CA 3.53Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.04Å; C269-C282 PolarHBondContact SG-SG 2.98Å; Y273-C282 HydrophobicContact CD1-CB 4.49Å; E274-C282 CarbonylContact O-C 3.38Å; E274-C282 WeakPolarHBondContact O-CA 3.37Å
283I95.1Very high92.2Very high76 Ų7673.6 Ų73.639%0.3940%0.401SS..EExtended strand (participates in β ladder)trans-105.5141.2179.259.4173.5000109.6Y273 E274 A276 L285Y273-I283 CarbonylContact C-O 3.57Å; Y273-I283 VanDerWaalsContact CA-O 3.23Å; Y273-I283 WeakPolarHBondContact CA-O 3.24Å; Y273-I283 WeakPolarHBondContact CB-O 3.41Å; E274-I283 HydrophobicContact CG-CD1 3.89Å; E274-I283 HydrophobicContact CG-CG1 3.49Å; E274-I283 VanDerWaalsContact CG-CG1 3.49Å; E274-I283 PolarHBondContact N-O 2.81Å; E274-I283 WeakPolarHBondContact O-CG1 3.41Å; E274-I283 PolarHBondContact O-N 3.4Å; E274-I283 WeakPolarHBondContact OE1-CD1 3.07Å; A276-I283 HydrophobicContact CB-CG2 4.21Å; I283-L285 PolarHBondContact O-N 2.88Å
284D96.5Very high92Very high49 Ų4972 Ų7226%0.26240%0.397SS..EExtended strand (participates in β ladder)trans-61.1132.2179.5-179.257.2000110.9Y273 D286 N301 P303 G304Y273-D284 HydrophobicContact CD1-CB 4.19Å; Y273-D284 HydrophobicContact CE1-CB 3.99Å; D284-D286 PolarHBondContact O-N 3.31Å; D284-N301 PolarHBondContact OD2-ND2 3.26Å; D284-P303 WeakPolarHBondContact OD1-CA 3.12Å; D284-G304 PolarHBondContact OD1-N 3.12Å
285L94.1Very high91.9Very high45 Ų4568.4 Ų68.424%0.23638%0.381CS..  trans-81.7109.8175.2-77.8171.3000109.1G272 E274 I283 E287 F290G272-L285 WeakPolarHBondContact O-CB 3.32Å; G272-L285 PolarHBondContact O-N 2.9Å; E274-L285 HydrophobicContact CB-CD1 4.47Å; E274-L285 HydrophobicContact CB-CD2 3.72Å; E274-L285 HydrophobicContact CB-CG 4.06Å; E274-L285 HydrophobicContact CG-CD2 3.6Å; E274-L285 HydrophobicContact CG-CG 4.18Å; E274-L285 WeakPolarHBondContact OE2-CD2 3.08Å; I283-L285 PolarHBondContact O-N 2.88Å; L285-E287 PolarHBondContact O-N 3.47Å; L285-E287 VanDerWaalsContact O-OE2 3.05Å; L285-F290 HydrophobicContact CD2-CE2 4.18Å
286D94.1Very high91.7Very high53 Ų5368.5 Ų68.528%0.28338%0.379SS..  trans-7487.3176.6-178.8-2.8000111.5D284 C288 S289 F290 N301D284-D286 PolarHBondContact O-N 3.31Å; D286-C288 PolarHBondContact O-N 2.97Å; D286-C288 WeakPolarHBondContact OD1-CB 3.42Å; D286-C288 PolarHBondContact OD1-N 2.02Å; D286-S289 VanDerWaalsContact CG-OG 3.28Å; D286-S289 WeakPolarHBondContact O-CB 3.38Å; D286-S289 PolarHBondContact O-N 3.27Å; D286-S289 PolarHBondContact OD1-N 3.42Å; D286-S289 VanDerWaalsContact OD1-N 3.16Å; D286-S289 WeakPolarHBondContact OD2-CB 3.01Å; D286-S289 PolarHBondContact OD2-OG 2.77Å; D286-F290 WeakPolarHBondContact O-CD2 3.45Å; D286-F290 PolarHBondContact O-N 3.36Å; D286-N301 WeakPolarHBondContact OD1-CB 3.3Å
287E93.5Very high91.5Very high36 Ų3671.8 Ų71.817%0.16839%0.391CS..Hα-helixtrans-62.1-31.9-177.1-54.293.315900111.5L285 S289 F290 S291 L294 N301 S305 F306L285-E287 PolarHBondContact O-N 3.47Å; L285-E287 VanDerWaalsContact O-OE2 3.05Å; E287-S289 PolarHBondContact O-N 2.95Å; E287-F290 PolarHBondContact O-N 3.37Å; E287-S291 PolarHBondContact O-N 2.83Å; E287-L294 VanDerWaalsContact C-CD1 3.44Å; E287-L294 HydrophobicContact CB-CD1 3.78Å; E287-L294 WeakPolarHBondContact O-CD1 3.06Å; E287-N301 PolarHBondContact OE2-OD1 2.85Å; E287-S305 WeakPolarHBondContact OE1-CA 2.92Å; E287-S305 VanDerWaalsContact OE2-C 3.24Å; E287-F306 HydrophobicContact CB-CB 4.47Å; E287-F306 HydrophobicContact CB-CD1 3.91Å; E287-F306 HydrophobicContact CB-CG 4.34Å; E287-F306 HydrophobicContact CG-CD1 4.04Å
288C93.8Very high91.5Very high31 Ų3172.5 Ų72.521%0.20937%0.372CS..Hα-helixtrans-62-28.5177.2-57.30000112.7D286 C299 V300 N301D286-C288 PolarHBondContact O-N 2.97Å; D286-C288 WeakPolarHBondContact OD1-CB 3.42Å; D286-C288 PolarHBondContact OD1-N 2.02Å; C288-C299 WeakPolarHBondContact CA-SG 3.48Å; C288-C299 HydrophobicContact CB-CB 3.71Å; C288-C299 WeakPolarHBondContact CB-SG 3.37Å; C288-C299 WeakPolarHBondContact SG-CB 3.5Å; C288-C299 CovalentContact SG-SG 2.04Å; C288-C299 PolarHBondContact SG-SG 2.04Å; C288-V300 PolarHBondContact SG-N 3.03Å; C288-V300 VanDerWaalsContact SG-N 3.4Å; C288-N301 PolarHBondContact SG-N 3.45Å
289S91.9Very high91.6Very high95 Ų9570 Ų7066%0.66436%0.361SS*.Hα-helixtrans-80.1-20.5174.4-74.90000113.4D286 E287D286-S289 VanDerWaalsContact CG-OG 3.28Å; D286-S289 WeakPolarHBondContact O-CB 3.38Å; D286-S289 PolarHBondContact O-N 3.27Å; D286-S289 PolarHBondContact OD1-N 3.42Å; D286-S289 VanDerWaalsContact OD1-N 3.16Å; D286-S289 WeakPolarHBondContact OD2-CB 3.01Å; D286-S289 PolarHBondContact OD2-OG 2.77Å; E287-S289 PolarHBondContact O-N 2.95Å
290F84.8Confident91.7Very high152 Ų15271 Ų7167%0.66736%0.361SS*.Hα-helixtrans-88.6-31.6-178.5-76-75.8000114L285 D286 E287L285-F290 HydrophobicContact CD2-CE2 4.18Å; D286-F290 WeakPolarHBondContact O-CD2 3.45Å; D286-F290 PolarHBondContact O-N 3.36Å; E287-F290 PolarHBondContact O-N 3.37Å
291S83.3Confident91.7Very high47 Ų4771.6 Ų71.633%0.32936%0.363SS..  trans-143.4116.5-178.1175.30000113.3E287 F293 L294E287-S291 PolarHBondContact O-N 2.83Å; S291-F293 PolarHBondContact O-N 2.83Å; S291-F293 PolarHBondContact OG-N 3.3Å; S291-L294 WeakPolarHBondContact O-CD1 3.39Å; S291-L294 PolarHBondContact O-N 3.42Å
292E80Confident91.7Very high179 Ų17971.3 Ų71.384%0.83636%0.361SS*.THydrogen-bonded Turntrans-68.7-12175.4-63-174168.500113.4
293F84.8Confident91.6Very high183 Ų18375.7 Ų75.780%0.80339%0.389SS*.THydrogen-bonded Turntrans-105.411.6-176.9-54.5-72.5000113.6S291S291-F293 PolarHBondContact O-N 2.83Å; S291-F293 PolarHBondContact OG-N 3.3Å
294L89.9Confident91.5Very high25 Ų2573 Ų7313%0.13138%0.381CS..SBendtrans-63.9-40.8179-90.7154.7000113.1E287 S291 F306 R321E287-L294 VanDerWaalsContact C-CD1 3.44Å; E287-L294 HydrophobicContact CB-CD1 3.78Å; E287-L294 WeakPolarHBondContact O-CD1 3.06Å; S291-L294 WeakPolarHBondContact O-CD1 3.39Å; S291-L294 PolarHBondContact O-N 3.42Å; L294-F306 HydrophobicContact CB-CE2 4.28Å; L294-F306 HydrophobicContact CD2-CD1 4.46Å; L294-F306 HydrophobicContact CD2-CE1 3.78Å; L294-F306 HydrophobicContact CD2-CE2 3.92Å; L294-F306 HydrophobicContact CD2-CZ 3.48Å; L294-F306 VanDerWaalsContact CD2-CZ 3.48Å; L294-R321 WeakPolarHBondContact O-CG 3.49Å
295C92.3Very high91.4Very high14 Ų1473.4 Ų73.410%0.09539%0.387CS..SBendtrans-120.1147.2-179.1-600000109.9F297 C299 C308C295-F297 VanDerWaalsContact C-N 3.32Å; C295-F297 PolarHBondContact O-N 3.48Å; C295-C299 HydrophobicContact CB-CB 4.24Å; C295-C299 VanDerWaalsContact SG-CA 3.51Å; C295-C299 VanDerWaalsContact SG-CB 3.53Å; C295-C308 WeakPolarHBondContact CA-SG 3.48Å; C295-C308 HydrophobicContact CB-CB 3.66Å; C295-C308 WeakPolarHBondContact CB-SG 3.23Å; C295-C308 WeakPolarHBondContact SG-CA 3.44Å; C295-C308 WeakPolarHBondContact SG-CB 3.35Å; C295-C308 CovalentContact SG-SG 2.02Å; C295-C308 PolarHBondContact SG-SG 3.32Å
296Q91.3Very high91.4Very high77 Ų7773.1 Ų73.136%0.3638%0.384SS..SBendtrans-66.7-33.1177.4-173.31744.600112.6R321 S322 C323 F485Q296-R321 WeakPolarHBondContact CB-O 3.4Å; Q296-R321 PolarHBondContact N-O 2.03Å; Q296-S322 VanDerWaalsContact OE1-CA 3.29Å; Q296-C323 PolarHBondContact OE1-O 2.95Å; Q296-F485 HydrophobicContact CG-CD1 3.63Å; Q296-F485 HydrophobicContact CG-CE1 3.98Å; Q296-F485 WeakPolarHBondContact O-CE1 3.45Å
297F91.6Very high91.4Very high88 Ų8872.9 Ų72.939%0.38639%0.386SS..SBendtrans-116.5-73.7178.8-177.4-122.7000114C295 I309 P311 H483 F485C295-F297 VanDerWaalsContact C-N 3.32Å; C295-F297 PolarHBondContact O-N 3.48Å; F297-I309 WeakPolarHBondContact CD1-O 3.46Å; F297-P311 HydrophobicContact CD1-CB 4.12Å; F297-P311 HydrophobicContact CD1-CG 4.02Å; F297-P311 HydrophobicContact CD2-CG 4.28Å; F297-P311 HydrophobicContact CE1-CB 3.78Å; F297-P311 HydrophobicContact CE1-CG 4.14Å; F297-P311 HydrophobicContact CE2-CB 4.46Å; F297-P311 HydrophobicContact CE2-CG 4.38Å; F297-P311 HydrophobicContact CG-CG 4.07Å; F297-P311 HydrophobicContact CZ-CB 3.95Å; F297-P311 HydrophobicContact CZ-CG 4.31Å; F297-H483 AromaticContact CE2-CE1 3.76Å; F297-H483 AromaticContact CE2-ND1 3.75Å; F297-H483 AromaticContact CZ-CE1 3.89Å; F297-F485 HydrophobicContact CB-CE1 3.88Å; F297-F485 HydrophobicContact CB-CZ 3.64Å; F297-F485 HydrophobicContact CD2-CE1 4.02Å; F297-F485 AromaticContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CD2-CZ 3.47Å; F297-F485 VanDerWaalsContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CE2-CZ 4.33Å; F297-F485 HydrophobicContact CG-CE1 4.38Å; F297-F485 AromaticContact CG-CZ 3.8Å; F297-F485 HydrophobicContact CG-CZ 3.8Å
298R92.1Very high91.5Very high152 Ų15271.6 Ų71.657%0.57438%0.381SS*.EExtended strand (participates in β ladder)trans-139128.8-175172.1173.7174-167.9-0.1111.2C308 I309R298-C308 WeakPolarHBondContact O-CA 3.43Å; R298-I309 HydrophobicContact CB-CD1 4.22Å; R298-I309 HydrophobicContact CB-CG1 3.82Å; R298-I309 HydrophobicContact CG-CD1 3.76Å; R298-I309 HydrophobicContact CG-CG1 3.78Å; R298-I309 PolarHBondContact N-O 2.04Å; R298-I309 WeakPolarHBondContact O-CG1 3.48Å; R298-I309 PolarHBondContact O-N 2.98Å
299C95.1Very high91.6Very high33 Ų3373.4 Ų73.422%0.22339%0.388CS..EExtended strand (participates in β ladder)trans-91141.6174.1-169.90000110.4C288 C295C288-C299 WeakPolarHBondContact CA-SG 3.48Å; C288-C299 HydrophobicContact CB-CB 3.71Å; C288-C299 WeakPolarHBondContact CB-SG 3.37Å; C288-C299 WeakPolarHBondContact SG-CB 3.5Å; C288-C299 CovalentContact SG-SG 2.04Å; C288-C299 PolarHBondContact SG-SG 2.04Å; C295-C299 HydrophobicContact CB-CB 4.24Å; C295-C299 VanDerWaalsContact SG-CA 3.51Å; C295-C299 VanDerWaalsContact SG-CB 3.53Å
300V95Very high91.7Very high51 Ų5170.3 Ų70.331%0.30937%0.366SS..EExtended strand (participates in β ladder)trans-130.5116.6172.1179.30000108C288 S307 I309C288-V300 PolarHBondContact SG-N 3.03Å; C288-V300 VanDerWaalsContact SG-N 3.4Å; V300-S307 PolarHBondContact N-O 3.3Å; V300-S307 PolarHBondContact O-N 2.82Å; V300-S307 PolarHBondContact O-OG 2.89Å; V300-I309 HydrophobicContact CG2-CD1 3.73Å; V300-I309 HydrophobicContact CG2-CG1 4Å
301N95.3Very high92.2Very high50 Ų5063.3 Ų63.327%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-68.9141.3178.1-172.738.6000110.9D284 D286 E287 C288 S305D284-N301 PolarHBondContact OD2-ND2 3.26Å; D286-N301 WeakPolarHBondContact OD1-CB 3.3Å; E287-N301 PolarHBondContact OE2-OD1 2.85Å; C288-N301 PolarHBondContact SG-N 3.45Å; N301-S305 PolarHBondContact OD1-O 2.62Å
302T95Very high92.6Very high45 Ų4566.6 Ų66.628%0.27636%0.356SS..EExtended strand (participates in β ladder)trans-137.5154.8-178.753.90000110.1G304 S305 F306T302-G304 PolarHBondContact O-N 2.99Å; T302-S305 CarbonylContact C-O 3.39Å; T302-S305 WeakPolarHBondContact CA-O 3.48Å; T302-S305 PolarHBondContact N-O 2.77Å; T302-S305 CarbonylContact O-C 3.57Å; T302-S305 PolarHBondContact O-N 3.25Å; T302-S305 PolarHBondContact OG1-O 3.29Å; T302-F306 WeakPolarHBondContact OG1-CA 3.46Å; T302-F306 PolarHBondContact OG1-N 2.81Å
303P94.6Very high93.2Very high109 Ų10959 Ų5971%0.70833%0.326SS*.THydrogen-bonded Turntrans-58.7114.8179.9-2534.9000112.7Y273 D284Y273-P303 WeakPolarHBondContact OH-CB 3.45Å; D284-P303 WeakPolarHBondContact OD1-CA 3.12Å
304G93Very high93.7Very high20 Ų2051.4 Ų51.421%0.20629%0.292CS..THydrogen-bonded Turntrans81.16.2-179.900000115.3Y273 D284 T302Y273-G304 PolarHBondContact OH-N 2.68Å; D284-G304 PolarHBondContact OD1-N 3.12Å; T302-G304 PolarHBondContact O-N 2.99Å
305S93.9Very high93.9Very high56 Ų5655.6 Ų55.639%0.39231%0.307SS..EExtended strand (participates in β ladder)trans-170.6-167.5-179-153.50000112.8E287 N301 T302E287-S305 WeakPolarHBondContact OE1-CA 2.92Å; E287-S305 VanDerWaalsContact OE2-C 3.24Å; N301-S305 PolarHBondContact OD1-O 2.62Å; T302-S305 CarbonylContact C-O 3.39Å; T302-S305 WeakPolarHBondContact CA-O 3.48Å; T302-S305 PolarHBondContact N-O 2.77Å; T302-S305 CarbonylContact O-C 3.57Å; T302-S305 PolarHBondContact O-N 3.25Å; T302-S305 PolarHBondContact OG1-O 3.29Å
306F94.6Very high94Very high39 Ų3958.1 Ų58.117%0.17132%0.319CS..EExtended strand (participates in β ladder)trans-135.8163.8169.567.6-77.3000111.2E287 L294 T302E287-F306 HydrophobicContact CB-CB 4.47Å; E287-F306 HydrophobicContact CB-CD1 3.91Å; E287-F306 HydrophobicContact CB-CG 4.34Å; E287-F306 HydrophobicContact CG-CD1 4.04Å; L294-F306 HydrophobicContact CB-CE2 4.28Å; L294-F306 HydrophobicContact CD2-CD1 4.46Å; L294-F306 HydrophobicContact CD2-CE1 3.78Å; L294-F306 HydrophobicContact CD2-CE2 3.92Å; L294-F306 HydrophobicContact CD2-CZ 3.48Å; L294-F306 VanDerWaalsContact CD2-CZ 3.48Å; T302-F306 WeakPolarHBondContact OG1-CA 3.46Å; T302-F306 PolarHBondContact OG1-N 2.81Å
307S94.4Very high94.2Very high48 Ų4859.1 Ų59.134%0.33632%0.32SS..EExtended strand (participates in β ladder)trans-128.4139.6172.660.60000110.9V300V300-S307 PolarHBondContact N-O 3.3Å; V300-S307 PolarHBondContact O-N 2.82Å; V300-S307 PolarHBondContact O-OG 2.89Å
308C95.8Very high94.3Very high9 Ų963.2 Ų63.26%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-95.6137.5173.4-60.30000110C295 R298 L316 S320C295-C308 WeakPolarHBondContact CA-SG 3.48Å; C295-C308 HydrophobicContact CB-CB 3.66Å; C295-C308 WeakPolarHBondContact CB-SG 3.23Å; C295-C308 WeakPolarHBondContact SG-CA 3.44Å; C295-C308 WeakPolarHBondContact SG-CB 3.35Å; C295-C308 CovalentContact SG-SG 2.02Å; C295-C308 PolarHBondContact SG-SG 3.32Å; R298-C308 WeakPolarHBondContact O-CA 3.43Å; C308-L316 HydrophobicContact CB-CD1 3.78Å; C308-S320 WeakPolarHBondContact CB-O 3.48Å; C308-S320 PolarHBondContact SG-O 2.71Å; C308-S320 VanDerWaalsContact SG-O 3.4Å
309I94.6Very high94.3Very high69 Ų6959.3 Ų59.335%0.35433%0.331SS..EExtended strand (participates in β ladder)trans-118.6137.3175.150.2169000110F297 R298 V300F297-I309 WeakPolarHBondContact CD1-O 3.46Å; R298-I309 HydrophobicContact CB-CD1 4.22Å; R298-I309 HydrophobicContact CB-CG1 3.82Å; R298-I309 HydrophobicContact CG-CD1 3.76Å; R298-I309 HydrophobicContact CG-CG1 3.78Å; R298-I309 PolarHBondContact N-O 2.04Å; R298-I309 WeakPolarHBondContact O-CG1 3.48Å; R298-I309 PolarHBondContact O-N 2.98Å; V300-I309 HydrophobicContact CG2-CD1 3.73Å; V300-I309 HydrophobicContact CG2-CG1 4Å
310C95.1Very high94.2Very high31 Ų3161.1 Ų61.121%0.20935%0.345CS..PPolyproline II helixtrans-96.9152.9177.6-650000111.1C323C310-C323 WeakPolarHBondContact CA-SG 3.4Å; C310-C323 HydrophobicContact CB-CB 3.83Å; C310-C323 WeakPolarHBondContact CB-SG 3.16Å; C310-C323 WeakPolarHBondContact SG-CA 3.47Å; C310-C323 WeakPolarHBondContact SG-CB 3.42Å; C310-C323 CovalentContact SG-SG 2.04Å; C310-C323 PolarHBondContact SG-SG 2.84Å
311P94.6Very high94.1Very high4 Ų464 Ų643%0.02635%0.35CS..PPolyproline II helixtrans-71.6167.6175.524.7-22.9000111.7F297 Y314 H483 F485F297-P311 HydrophobicContact CD1-CB 4.12Å; F297-P311 HydrophobicContact CD1-CG 4.02Å; F297-P311 HydrophobicContact CD2-CG 4.28Å; F297-P311 HydrophobicContact CE1-CB 3.78Å; F297-P311 HydrophobicContact CE1-CG 4.14Å; F297-P311 HydrophobicContact CE2-CB 4.46Å; F297-P311 HydrophobicContact CE2-CG 4.38Å; F297-P311 HydrophobicContact CG-CG 4.07Å; F297-P311 HydrophobicContact CZ-CB 3.95Å; F297-P311 HydrophobicContact CZ-CG 4.31Å; P311-Y314 HydrophobicContact CB-CD2 4.44Å; P311-Y314 HydrophobicContact CG-CD2 3.7Å; P311-Y314 HydrophobicContact CG-CE2 4.17Å; P311-Y314 HydrophobicContact CG-CG 4.3Å; P311-Y314 WeakPolarHBondContact O-CB 3.43Å; P311-Y314 PolarHBondContact O-N 3.46Å; P311-Y314 VanDerWaalsContact O-N 3.14Å; P311-H483 VanDerWaalsContact CB-CD2 3.43Å; P311-H483 WeakPolarHBondContact CB-CD2 3.08Å; P311-H483 WeakPolarHBondContact CB-NE2 3.37Å; P311-H483 WeakPolarHBondContact CG-CD2 3.42Å; P311-F485 HydrophobicContact CG-CE2 3.5Å; P311-F485 HydrophobicContact CG-CZ 3.77Å
312P92.2Very high94Very high117 Ų11763.5 Ų63.576%0.7635%0.35SS*.THydrogen-bonded Turntrans-55141.8174.5-23.234.2000112Y314P312-Y314 VanDerWaalsContact C-N 3.29Å; P312-Y314 WeakPolarHBondContact O-CD2 3.47Å
313G92Very high94Very high20 Ų2061.8 Ų61.821%0.20634%0.34CS..THydrogen-bonded Turntrans83.91.2-17400000114V326G313-V326 WeakPolarHBondContact O-CB 3.23Å; G313-V326 WeakPolarHBondContact O-CG2 3.46Å; G313-V326 PolarHBondContact O-N 3.25Å
314Y94.8Very high94Very high23 Ų2359.9 Ų59.99%0.0932%0.322CS..EExtended strand (participates in β ladder)trans-128.9153.4177.2-61.6-99000111.5P311 P312 C323 E324 D325 Q346 G347 F485P311-Y314 HydrophobicContact CB-CD2 4.44Å; P311-Y314 HydrophobicContact CG-CD2 3.7Å; P311-Y314 HydrophobicContact CG-CE2 4.17Å; P311-Y314 HydrophobicContact CG-CG 4.3Å; P311-Y314 WeakPolarHBondContact O-CB 3.43Å; P311-Y314 PolarHBondContact O-N 3.46Å; P311-Y314 VanDerWaalsContact O-N 3.14Å; P312-Y314 VanDerWaalsContact C-N 3.29Å; P312-Y314 WeakPolarHBondContact O-CD2 3.47Å; Y314-C323 HydrophobicContact CD1-CB 4.35Å; Y314-E324 CarbonylContact C-O 3.52Å; Y314-E324 WeakPolarHBondContact CA-O 3.5Å; Y314-E324 WeakPolarHBondContact CB-O 3.04Å; Y314-D325 HydrophobicContact CD1-CB 4.33Å; Y314-D325 HydrophobicContact CE1-CB 4.16Å; Y314-Q346 VanDerWaalsContact OH-C 3.31Å; Y314-G347 PolarHBondContact OH-N 2.82Å; Y314-F485 HydrophobicContact CD1-CD2 4.41Å; Y314-F485 AromaticContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CE2 4.4Å; Y314-F485 HydrophobicContact CE2-CD2 4.35Å; Y314-F485 HydrophobicContact CE2-CE2 4.26Å; Y314-F485 AromaticContact CZ-CD2 3.81Å
315Y93.9Very high94.1Very high113 Ų11360.9 Ų60.944%0.44332%0.322SS..EExtended strand (participates in β ladder)trans-121.8155.7171.367.2-87.9000111.1C323 E324 V326Y315-C323 WeakPolarHBondContact O-CA 3.37Å; Y315-E324 HydrophobicContact CD1-CB 4.39Å; Y315-E324 WeakPolarHBondContact CD1-O 3.42Å; Y315-E324 HydrophobicContact CE1-CB 3.84Å; Y315-E324 HydrophobicContact CE2-CB 3.96Å; Y315-E324 PolarHBondContact N-O 2.85Å; Y315-E324 PolarHBondContact O-N 2.67Å; Y315-E324 PolarHBondContact OH-OE2 2.86Å; Y315-V326 HydrophobicContact CD1-CG2 3.76Å
316L95.4Very high94.1Very high67 Ų6759.9 Ų59.935%0.35131%0.314SS..EExtended strand (participates in β ladder)trans-75.7125.1178.3-166.171.2000109.6C308C308-L316 HydrophobicContact CB-CD1 3.78Å
317Y94.4Very high94.2Very high97 Ų9760.3 Ų60.338%0.3832%0.318SS..  trans-71.2170.9179.9-170.1-118.4000112.1D319 S320 S322 E324Y317-D319 HydrophobicContact CD1-CB 4.28Å; Y317-D319 PolarHBondContact O-N 3.02Å; Y317-D319 VanDerWaalsContact O-N 3.1Å; Y317-S320 PolarHBondContact O-N 2.9Å; Y317-S322 WeakPolarHBondContact CB-O 3.14Å; Y317-S322 PolarHBondContact N-O 3.35Å; Y317-E324 HydrophobicContact CD2-CG 3.87Å; Y317-E324 VanDerWaalsContact CD2-OE1 3.24Å; Y317-E324 WeakPolarHBondContact CD2-OE1 3.02Å; Y317-E324 WeakPolarHBondContact CD2-OE2 3.35Å; Y317-E324 VanDerWaalsContact CE2-CD 3.45Å; Y317-E324 WeakPolarHBondContact CE2-OE1 3.03Å; Y317-E324 WeakPolarHBondContact CE2-OE2 3.45Å; Y317-E324 HydrophobicContact CG-CG 4.23Å
318E94.5Very high94.2Very high175 Ų17558.8 Ų58.882%0.81831%0.306SS*.THydrogen-bonded Turntrans-58.3-25.9-177.4-63.4-169.3164.600113.6S320E318-S320 PolarHBondContact O-N 3.47Å
319D93Very high94.2Very high69 Ų6960 Ų6037%0.36931%0.313SS..THydrogen-bonded Turntrans-72.8-4.4175.772.8-10.8000114Y317 R321 S322Y317-D319 HydrophobicContact CD1-CB 4.28Å; Y317-D319 PolarHBondContact O-N 3.02Å; Y317-D319 VanDerWaalsContact O-N 3.1Å; D319-R321 WeakPolarHBondContact O-CG 3.2Å; D319-R321 PolarHBondContact O-N 2.03Å; D319-R321 VanDerWaalsContact O-N 3.15Å; D319-R321 PolarHBondContact OD1-N 3.44Å; D319-S322 WeakPolarHBondContact OD1-CB 3.02Å; D319-S322 PolarHBondContact OD1-N 3.49Å; D319-S322 VanDerWaalsContact OD2-CB 3.3Å; D319-S322 WeakPolarHBondContact OD2-CB 3.31Å; D319-S322 PolarHBondContact OD2-N 3.05Å; D319-S322 PolarHBondContact OD2-OG 2.92Å
320S92.7Very high94.2Very high72 Ų7263 Ų6350%0.50333%0.331SS..SBendtrans57.220.9-176.2-56.30000114.4C308 Y317 E318C308-S320 WeakPolarHBondContact CB-O 3.48Å; C308-S320 PolarHBondContact SG-O 2.71Å; C308-S320 VanDerWaalsContact SG-O 3.4Å; Y317-S320 PolarHBondContact O-N 2.9Å; E318-S320 PolarHBondContact O-N 3.47Å
321R93Very high94Very high110 Ų11066 Ų6642%0.41535%0.348SS..SBendtrans-135.6-34.4-175.1-67.3175.2-175.7-128.12113.6L294 Q296 D319L294-R321 WeakPolarHBondContact O-CG 3.49Å; Q296-R321 WeakPolarHBondContact CB-O 3.4Å; Q296-R321 PolarHBondContact N-O 2.03Å; D319-R321 WeakPolarHBondContact O-CG 3.2Å; D319-R321 PolarHBondContact O-N 2.03Å; D319-R321 VanDerWaalsContact O-N 3.15Å; D319-R321 PolarHBondContact OD1-N 3.44Å
322S93.4Very high93.6Very high40 Ų4068.3 Ų68.328%0.2837%0.372SS..  trans-92.2149.7-178.6-58.60000111.1Q296 Y317 D319Q296-S322 VanDerWaalsContact OE1-CA 3.29Å; Y317-S322 WeakPolarHBondContact CB-O 3.14Å; Y317-S322 PolarHBondContact N-O 3.35Å; D319-S322 WeakPolarHBondContact OD1-CB 3.02Å; D319-S322 PolarHBondContact OD1-N 3.49Å; D319-S322 VanDerWaalsContact OD2-CB 3.3Å; D319-S322 WeakPolarHBondContact OD2-CB 3.31Å; D319-S322 PolarHBondContact OD2-N 3.05Å; D319-S322 PolarHBondContact OD2-OG 2.92Å
323C94.5Very high93.6Very high10 Ų1068.5 Ų68.57%0.06837%0.367CS..EExtended strand (participates in β ladder)trans-110.4120.5178.2-64.60000109.2Q296 C310 Y314 Y315Q296-C323 PolarHBondContact OE1-O 2.95Å; C310-C323 WeakPolarHBondContact CA-SG 3.4Å; C310-C323 HydrophobicContact CB-CB 3.83Å; C310-C323 WeakPolarHBondContact CB-SG 3.16Å; C310-C323 WeakPolarHBondContact SG-CA 3.47Å; C310-C323 WeakPolarHBondContact SG-CB 3.42Å; C310-C323 CovalentContact SG-SG 2.04Å; C310-C323 PolarHBondContact SG-SG 2.84Å; Y314-C323 HydrophobicContact CD1-CB 4.35Å; Y315-C323 WeakPolarHBondContact O-CA 3.37Å
324E93.6Very high93.6Very high68 Ų6869.5 Ų69.532%0.31837%0.368SS..EExtended strand (participates in β ladder)trans-104.6144.4174.3-73.5-168.1158.700110.8Y314 Y315 Y317Y314-E324 CarbonylContact C-O 3.52Å; Y314-E324 WeakPolarHBondContact CA-O 3.5Å; Y314-E324 WeakPolarHBondContact CB-O 3.04Å; Y315-E324 HydrophobicContact CD1-CB 4.39Å; Y315-E324 WeakPolarHBondContact CD1-O 3.42Å; Y315-E324 HydrophobicContact CE1-CB 3.84Å; Y315-E324 HydrophobicContact CE2-CB 3.96Å; Y315-E324 PolarHBondContact N-O 2.85Å; Y315-E324 PolarHBondContact O-N 2.67Å; Y315-E324 PolarHBondContact OH-OE2 2.86Å; Y317-E324 HydrophobicContact CD2-CG 3.87Å; Y317-E324 VanDerWaalsContact CD2-OE1 3.24Å; Y317-E324 WeakPolarHBondContact CD2-OE1 3.02Å; Y317-E324 WeakPolarHBondContact CD2-OE2 3.35Å; Y317-E324 VanDerWaalsContact CE2-CD 3.45Å; Y317-E324 WeakPolarHBondContact CE2-OE1 3.03Å; Y317-E324 WeakPolarHBondContact CE2-OE2 3.45Å; Y317-E324 HydrophobicContact CG-CG 4.23Å
325D94.9Very high93.6Very high41 Ų4174 Ų7422%0.21940%0.397CS..EExtended strand (participates in β ladder)trans-66.3133179.3-177.465.2000110.9Y314 N327 N344 Q346 G347Y314-D325 HydrophobicContact CD1-CB 4.33Å; Y314-D325 HydrophobicContact CE1-CB 4.16Å; D325-N327 PolarHBondContact O-N 2.98Å; D325-N344 PolarHBondContact OD2-ND2 2.97Å; D325-Q346 WeakPolarHBondContact OD1-CA 3.4Å; D325-G347 PolarHBondContact OD1-N 3.18Å
326V95.1Very high93.6Very high36 Ų3669.8 Ų69.822%0.21838%0.384CS..  trans-78115.5172.2176.80000107.6G313 Y315 E328 N344G313-V326 WeakPolarHBondContact O-CB 3.23Å; G313-V326 WeakPolarHBondContact O-CG2 3.46Å; G313-V326 PolarHBondContact O-N 3.25Å; Y315-V326 HydrophobicContact CD1-CG2 3.76Å; V326-E328 HydrophobicContact CG1-CG 4.27Å; V326-E328 PolarHBondContact O-N 2.88Å; V326-E328 VanDerWaalsContact O-OE2 3.07Å; V326-N344 PolarHBondContact O-OD1 2.91Å
327N95.6Very high93.5Very high47 Ų4770.3 Ų70.325%0.25139%0.391SS..  trans-77.396.4171.9-171.2-17000110.8D325 C329 D330 T331 N344D325-N327 PolarHBondContact O-N 2.98Å; N327-C329 PolarHBondContact O-N 3.05Å; N327-C329 WeakPolarHBondContact OD1-CA 3.41Å; N327-C329 VanDerWaalsContact OD1-CB 3.29Å; N327-C329 WeakPolarHBondContact OD1-CB 3.34Å; N327-C329 PolarHBondContact OD1-N 3.4Å; N327-D330 HydrophobicContact CB-CB 4.13Å; N327-D330 PolarHBondContact ND2-OD1 2.99Å; N327-D330 PolarHBondContact ND2-OD2 3.22Å; N327-D330 PolarHBondContact O-N 3.45Å; N327-D330 PolarHBondContact OD1-N 2.88Å; N327-D330 VanDerWaalsContact OD1-N 3.15Å; N327-T331 WeakPolarHBondContact O-CG2 3.39Å; N327-T331 PolarHBondContact O-N 3.21Å; N327-T331 VanDerWaalsContact O-N 3.08Å; N327-T331 PolarHBondContact O-OG1 3.43Å; N327-N344 WeakPolarHBondContact CA-OD1 3.41Å
328E95.1Very high93.3Very high17 Ų1772.9 Ų72.98%0.07942%0.416CS..Hα-helixtrans-69.1-21.4179.7-61.694.9165.600113.2V326 T331 G332 N333 N334 N344 G348 Y349V326-E328 HydrophobicContact CG1-CG 4.27Å; V326-E328 PolarHBondContact O-N 2.88Å; V326-E328 VanDerWaalsContact O-OE2 3.07Å; E328-T331 WeakPolarHBondContact CA-OG1 3.44Å; E328-G332 PolarHBondContact O-N 3.41Å; E328-N333 PolarHBondContact O-N 2.03Å; E328-N334 HydrophobicContact CB-CB 4.4Å; E328-N334 PolarHBondContact O-ND2 3.16Å; E328-N344 PolarHBondContact N-OD1 2.78Å; E328-N344 PolarHBondContact OE2-OD1 3.06Å; E328-N344 VanDerWaalsContact OE2-OD1 3.1Å; E328-G348 VanDerWaalsContact OE2-C 3.28Å; E328-Y349 HydrophobicContact CB-CD1 3.34Å; E328-Y349 HydrophobicContact CB-CE1 3.84Å; E328-Y349 HydrophobicContact CB-CG 3.83Å; E328-Y349 HydrophobicContact CG-CD1 3.48Å; E328-Y349 VanDerWaalsContact CG-CD1 3.48Å; E328-Y349 HydrophobicContact CG-CE1 3.86Å; E328-Y349 HydrophobicContact CG-CG 4.4Å; E328-Y349 WeakPolarHBondContact OE2-CD1 3.44Å
329C95Very high93.1Very high33 Ų3371.8 Ų71.822%0.22341%0.411CS..Hα-helixtrans-72.2-36.8175.4-56.70000111.9N327 C342 N344N327-C329 PolarHBondContact O-N 3.05Å; N327-C329 WeakPolarHBondContact OD1-CA 3.41Å; N327-C329 VanDerWaalsContact OD1-CB 3.29Å; N327-C329 WeakPolarHBondContact OD1-CB 3.34Å; N327-C329 PolarHBondContact OD1-N 3.4Å; C329-C342 WeakPolarHBondContact CA-SG 3.47Å; C329-C342 HydrophobicContact CB-CB 3.71Å; C329-C342 WeakPolarHBondContact CB-SG 3.08Å; C329-C342 WeakPolarHBondContact SG-CB 3.42Å; C329-C342 CovalentContact SG-SG 2.04Å; C329-C342 PolarHBondContact SG-SG 3.15Å; C329-N344 PolarHBondContact SG-N 2.73Å; C329-N344 VanDerWaalsContact SG-N 3.44Å
330D95.4Very high93.1Very high134 Ų13470.8 Ų70.872%0.71740%0.404SS*.Hα-helixtrans-81.4-37.9179.4-72.3-4.8000112.2N327 G332N327-D330 HydrophobicContact CB-CB 4.13Å; N327-D330 PolarHBondContact ND2-OD1 2.99Å; N327-D330 PolarHBondContact ND2-OD2 3.22Å; N327-D330 PolarHBondContact O-N 3.45Å; N327-D330 PolarHBondContact OD1-N 2.88Å; N327-D330 VanDerWaalsContact OD1-N 3.15Å; D330-G332 PolarHBondContact O-N 3.41Å
331T90.9Very high93.1Very high92 Ų9272 Ų7256%0.56441%0.409SS*.Hα-helixtrans-74.6-14.5-179.955.80000113.1N327 E328 N333N327-T331 WeakPolarHBondContact O-CG2 3.39Å; N327-T331 PolarHBondContact O-N 3.21Å; N327-T331 VanDerWaalsContact O-N 3.08Å; N327-T331 PolarHBondContact O-OG1 3.43Å; E328-T331 WeakPolarHBondContact CA-OG1 3.44Å; T331-N333 PolarHBondContact O-N 3.27Å
332G86.7Confident93.2Very high53 Ų5368.4 Ų68.455%0.54640%0.4SS..SBendtrans71.76-174.400000113.8E328 D330 N334E328-G332 PolarHBondContact O-N 3.41Å; D330-G332 PolarHBondContact O-N 3.41Å; G332-N334 PolarHBondContact O-N 2.88Å
333N91.1Very high93.3Very high122 Ų12268.6 Ų68.665%0.65240%0.396SS*.  trans-82.550.4175-171.629000111.3E328 T331E328-N333 PolarHBondContact O-N 2.03Å; T331-N333 PolarHBondContact O-N 3.27Å
334N92.5Very high93.4Very high41 Ų4170 Ų7022%0.21940%0.403CS..SBendtrans-124.1154.5178.66373.7000111.1E328 G332 C336 Y349E328-N334 HydrophobicContact CB-CB 4.4Å; E328-N334 PolarHBondContact O-ND2 3.16Å; G332-N334 PolarHBondContact O-N 2.88Å; N334-C336 VanDerWaalsContact C-N 3.26Å; N334-C336 PolarHBondContact O-N 2.63Å; N334-C336 WeakPolarHBondContact OD1-CB 3.22Å; N334-C336 PolarHBondContact OD1-N 3.49Å; N334-Y349 WeakPolarHBondContact CA-OH 3.47Å; N334-Y349 HydrophobicContact CB-CD2 3.72Å; N334-Y349 HydrophobicContact CB-CE1 4.35Å; N334-Y349 HydrophobicContact CB-CE2 3.42Å; N334-Y349 VanDerWaalsContact CB-CE2 3.42Å; N334-Y349 HydrophobicContact CB-CG 4.33Å
335T94.6Very high93.4Very high116 Ų11668.6 Ų68.671%0.71240%0.396SS*.  trans-90.417.5177.360.90000112.9Y349T335-Y349 PolarHBondContact N-OH 2.83Å; T335-Y349 PolarHBondContact OG1-OH 3.05Å
336C94.3Very high93.3Very high25 Ų2568.9 Ų68.917%0.16940%0.396CS..  trans-75.9139.9-175.4-55.50000111N334 Q340 C351N334-C336 VanDerWaalsContact C-N 3.26Å; N334-C336 PolarHBondContact O-N 2.63Å; N334-C336 WeakPolarHBondContact OD1-CB 3.22Å; N334-C336 PolarHBondContact OD1-N 3.49Å; C336-Q340 HydrophobicContact CB-CB 4.28Å; C336-C351 WeakPolarHBondContact CA-SG 3.32Å; C336-C351 HydrophobicContact CB-CB 3.79Å; C336-C351 WeakPolarHBondContact CB-SG 3.38Å; C336-C351 PolarHBondContact N-SG 2.9Å; C336-C351 VanDerWaalsContact N-SG 3.42Å; C336-C351 WeakPolarHBondContact SG-CA 3.26Å; C336-C351 WeakPolarHBondContact SG-CB 3.48Å; C336-C351 CovalentContact SG-SG 2.04Å; C336-C351 PolarHBondContact SG-SG 2.92Å
337T93.8Very high93.1Very high79 Ų7968.6 Ų68.649%0.48540%0.4SS..  trans-74.3162.3171.163.40000110.7E339 Q340T337-E339 PolarHBondContact O-N 2.92Å; T337-E339 VanDerWaalsContact O-N 3.11Å; T337-Q340 PolarHBondContact O-N 2.76Å; T337-Q340 VanDerWaalsContact OG1-CD 3.3Å; T337-Q340 VanDerWaalsContact OG1-CG 3.28Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.49Å; T337-Q340 PolarHBondContact OG1-OE1 3.2Å
338T88.8Confident93Very high150 Ų15066.8 Ų66.892%0.9239%0.392SS*.THydrogen-bonded Turntrans-62.6-18178.152.40000114.1
339E90.2Very high93Very high152 Ų15268.9 Ų68.971%0.7140%0.4SS*.THydrogen-bonded Turntrans-90.4-13.1176.7-61.8-177.5179.800112.6T337 P354T337-E339 PolarHBondContact O-N 2.92Å; T337-E339 VanDerWaalsContact O-N 3.11Å; E339-P354 WeakPolarHBondContact O-CD 3.34Å; E339-P354 WeakPolarHBondContact O-CG 3.35Å
340Q93.9Very high93.1Very high48 Ų4869.1 Ų69.122%0.22440%0.4CS..SBendtrans-93.7148.4-179.7-74.1169.1-41.300111.3C336 T337 C351 L352 N353C336-Q340 HydrophobicContact CB-CB 4.28Å; T337-Q340 PolarHBondContact O-N 2.76Å; T337-Q340 VanDerWaalsContact OG1-CD 3.3Å; T337-Q340 VanDerWaalsContact OG1-CG 3.28Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.49Å; T337-Q340 PolarHBondContact OG1-OE1 3.2Å; Q340-C351 HydrophobicContact CB-CB 4.15Å; Q340-C351 HydrophobicContact CG-CB 4.39Å; Q340-L352 WeakPolarHBondContact CA-O 3.05Å; Q340-N353 PolarHBondContact NE2-OD1 3.47Å
341V92.9Very high93.1Very high98 Ų9864 Ų6459%0.59438%0.375SS*.EExtended strand (participates in β ladder)trans-95.1123172.2-179.60000108.5L352V341-L352 HydrophobicContact CB-CB 4.45Å; V341-L352 PolarHBondContact N-O 3.3Å; V341-L352 WeakPolarHBondContact O-CB 3.42Å; V341-L352 PolarHBondContact O-N 2.95Å
342C95.4Very high93.2Very high35 Ų3561.2 Ų61.224%0.23636%0.356CS..EExtended strand (participates in β ladder)trans-75.5131.4174.9-171.70000110.2C329C329-C342 WeakPolarHBondContact CA-SG 3.47Å; C329-C342 HydrophobicContact CB-CB 3.71Å; C329-C342 WeakPolarHBondContact CB-SG 3.08Å; C329-C342 WeakPolarHBondContact SG-CB 3.42Å; C329-C342 CovalentContact SG-SG 2.04Å; C329-C342 PolarHBondContact SG-SG 3.15Å
343F95.3Very high93.5Very high44 Ų4464.3 Ų64.319%0.19336%0.36CS..EExtended strand (participates in β ladder)trans-119.8114.9172.5178.3-97.3000109.3F345 Y349 T350 L352 H389 Y479F343-F345 HydrophobicContact CD1-CD1 4.05Å; F343-F345 HydrophobicContact CE1-CB 3.98Å; F343-F345 HydrophobicContact CE1-CD1 4.2Å; F343-Y349 CarbonylContact O-C 3.49Å; F343-Y349 VanDerWaalsContact O-CA 3.31Å; F343-Y349 WeakPolarHBondContact O-CA 3.41Å; F343-T350 HydrophobicContact CB-CG2 3.97Å; F343-T350 HydrophobicContact CD1-CG2 4Å; F343-T350 HydrophobicContact CG-CG2 4.47Å; F343-T350 PolarHBondContact N-O 3.34Å; F343-T350 PolarHBondContact O-N 3.16Å; F343-L352 HydrophobicContact CB-CD1 3.76Å; F343-L352 HydrophobicContact CB-CG 4.03Å; F343-L352 HydrophobicContact CG-CD1 4.38Å; F343-H389 HydrophobicContact CD1-CB 4.41Å; F343-H389 HydrophobicContact CD2-CB 4Å; F343-H389 HydrophobicContact CE1-CB 4.2Å; F343-H389 HydrophobicContact CE2-CB 3.77Å; F343-H389 HydrophobicContact CG-CB 4.33Å; F343-H389 HydrophobicContact CZ-CB 3.89Å; F343-Y479 AromaticContact CD1-CD2 3.86Å; F343-Y479 HydrophobicContact CD1-CD2 3.86Å; F343-Y479 AromaticContact CD1-CE2 3.71Å; F343-Y479 HydrophobicContact CD1-CE2 3.71Å; F343-Y479 AromaticContact CE1-CD2 3.39Å; F343-Y479 HydrophobicContact CE1-CD2 3.39Å; F343-Y479 AromaticContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CG 4.3Å; F343-Y479 HydrophobicContact CZ-CD2 4.36Å
344N95.4Very high93.6Very high39 Ų3961.9 Ų61.921%0.20935%0.351CS..EExtended strand (participates in β ladder)trans-84.1140.5176.2-166.768.4000110.5D325 V326 N327 E328 C329D325-N344 PolarHBondContact OD2-ND2 2.97Å; V326-N344 PolarHBondContact O-OD1 2.91Å; N327-N344 WeakPolarHBondContact CA-OD1 3.41Å; E328-N344 PolarHBondContact N-OD1 2.78Å; E328-N344 PolarHBondContact OE2-OD1 3.06Å; E328-N344 VanDerWaalsContact OE2-OD1 3.1Å; C329-N344 PolarHBondContact SG-N 2.73Å; C329-N344 VanDerWaalsContact SG-N 3.44Å
345F94.3Very high93.6Very high39 Ų3962 Ų6217%0.17135%0.352CS..EExtended strand (participates in β ladder)trans-144.6165.717258.5-95.4000110F343 G347 G348 T350 D391 Y479F343-F345 HydrophobicContact CD1-CD1 4.05Å; F343-F345 HydrophobicContact CE1-CB 3.98Å; F343-F345 HydrophobicContact CE1-CD1 4.2Å; F345-G347 PolarHBondContact O-N 3.31Å; F345-G348 CarbonylContact C-O 3.52Å; F345-G348 WeakPolarHBondContact CD1-O 3.49Å; F345-G348 WeakPolarHBondContact CG-O 3.48Å; F345-G348 PolarHBondContact N-O 3.15Å; F345-G348 CarbonylContact O-C 3.57Å; F345-G348 PolarHBondContact O-N 3.17Å; F345-T350 HydrophobicContact CD1-CG2 4.46Å; F345-T350 HydrophobicContact CE1-CG2 4.14Å; F345-D391 HydrophobicContact CB-CB 3.74Å; F345-Y479 HydrophobicContact CD1-CD1 4.13Å; F345-Y479 HydrophobicContact CD1-CD2 4.43Å; F345-Y479 AromaticContact CD1-CG 3.93Å; F345-Y479 HydrophobicContact CD1-CG 3.93Å; F345-Y479 AromaticContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CG 4.2Å; F345-Y479 HydrophobicContact CG-CG 4.23Å; F345-Y479 HydrophobicContact CZ-CD1 4.38Å
346Q93.4Very high93.5Very high47 Ų4764.6 Ų64.622%0.2236%0.356CS..THydrogen-bonded Turntrans-56.1114.9-178.7-71.3-168.9-1800112.9Y314 D325 S393 S481Y314-Q346 VanDerWaalsContact OH-C 3.31Å; D325-Q346 WeakPolarHBondContact OD1-CA 3.4Å; Q346-S393 PolarHBondContact OE1-OG 3.23Å; Q346-S481 WeakPolarHBondContact O-CB 3.2Å
347G91.5Very high93.5Very high30 Ų3064.7 Ų64.731%0.30936%0.356SS..THydrogen-bonded Turntrans87.89.7179.100000114.8Y314 D325 F345Y314-G347 PolarHBondContact OH-N 2.82Å; D325-G347 PolarHBondContact OD1-N 3.18Å; F345-G347 PolarHBondContact O-N 3.31Å
348G93.1Very high93.5Very high8 Ų868.4 Ų68.48%0.08237%0.368CS..EExtended strand (participates in β ladder)trans162.9-161.8169.900000115.5E328 F345E328-G348 VanDerWaalsContact OE2-C 3.28Å; F345-G348 CarbonylContact C-O 3.52Å; F345-G348 WeakPolarHBondContact CD1-O 3.49Å; F345-G348 WeakPolarHBondContact CG-O 3.48Å; F345-G348 PolarHBondContact N-O 3.15Å; F345-G348 CarbonylContact O-C 3.57Å; F345-G348 PolarHBondContact O-N 3.17Å
349Y95.3Very high93.7Very high62 Ų6267.2 Ų67.224%0.24336%0.363CS..EExtended strand (participates in β ladder)trans-139.5167.5-174.869.4-79.8000112.3E328 N334 T335 F343E328-Y349 HydrophobicContact CB-CD1 3.34Å; E328-Y349 HydrophobicContact CB-CE1 3.84Å; E328-Y349 HydrophobicContact CB-CG 3.83Å; E328-Y349 HydrophobicContact CG-CD1 3.48Å; E328-Y349 VanDerWaalsContact CG-CD1 3.48Å; E328-Y349 HydrophobicContact CG-CE1 3.86Å; E328-Y349 HydrophobicContact CG-CG 4.4Å; E328-Y349 WeakPolarHBondContact OE2-CD1 3.44Å; N334-Y349 WeakPolarHBondContact CA-OH 3.47Å; N334-Y349 HydrophobicContact CB-CD2 3.72Å; N334-Y349 HydrophobicContact CB-CE1 4.35Å; N334-Y349 HydrophobicContact CB-CE2 3.42Å; N334-Y349 VanDerWaalsContact CB-CE2 3.42Å; N334-Y349 HydrophobicContact CB-CG 4.33Å; T335-Y349 PolarHBondContact N-OH 2.83Å; T335-Y349 PolarHBondContact OG1-OH 3.05Å; F343-Y349 CarbonylContact O-C 3.49Å; F343-Y349 VanDerWaalsContact O-CA 3.31Å; F343-Y349 WeakPolarHBondContact O-CA 3.41Å
350T95.3Very high93.8Very high38 Ų3861.7 Ų61.723%0.23334%0.34CS..EExtended strand (participates in β ladder)trans-141.4148.2170.8-175.10000111.1F343 F345 L352 Y479F343-T350 HydrophobicContact CB-CG2 3.97Å; F343-T350 HydrophobicContact CD1-CG2 4Å; F343-T350 HydrophobicContact CG-CG2 4.47Å; F343-T350 PolarHBondContact N-O 3.34Å; F343-T350 PolarHBondContact O-N 3.16Å; F345-T350 HydrophobicContact CD1-CG2 4.46Å; F345-T350 HydrophobicContact CE1-CG2 4.14Å; T350-L352 HydrophobicContact CG2-CD2 3.95Å; T350-L352 HydrophobicContact CG2-CG 4.5Å; T350-Y479 HydrophobicContact CG2-CE1 3.81Å; T350-Y479 HydrophobicContact CG2-CE2 4.24Å
351C95.8Very high93.9Very high27 Ų2760.9 Ų60.918%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-95.9111.8177.1-51.70000109.4C336 Q340C336-C351 WeakPolarHBondContact CA-SG 3.32Å; C336-C351 HydrophobicContact CB-CB 3.79Å; C336-C351 WeakPolarHBondContact CB-SG 3.38Å; C336-C351 PolarHBondContact N-SG 2.9Å; C336-C351 VanDerWaalsContact N-SG 3.42Å; C336-C351 WeakPolarHBondContact SG-CA 3.26Å; C336-C351 WeakPolarHBondContact SG-CB 3.48Å; C336-C351 CovalentContact SG-SG 2.04Å; C336-C351 PolarHBondContact SG-SG 2.92Å; Q340-C351 HydrophobicContact CB-CB 4.15Å; Q340-C351 HydrophobicContact CG-CB 4.39Å
352L94.6Very high94Very high33 Ų3362 Ų6217%0.17334%0.338CS..EExtended strand (participates in β ladder)trans-86.2123.5178.6-55.8179.7000109.4Q340 V341 F343 T350Q340-L352 WeakPolarHBondContact CA-O 3.05Å; V341-L352 HydrophobicContact CB-CB 4.45Å; V341-L352 PolarHBondContact N-O 3.3Å; V341-L352 WeakPolarHBondContact O-CB 3.42Å; V341-L352 PolarHBondContact O-N 2.95Å; F343-L352 HydrophobicContact CB-CD1 3.76Å; F343-L352 HydrophobicContact CB-CG 4.03Å; F343-L352 HydrophobicContact CG-CD1 4.38Å; T350-L352 HydrophobicContact CG2-CD2 3.95Å; T350-L352 HydrophobicContact CG2-CG 4.5Å
353N93Very high93.9Very high117 Ų11763.5 Ų63.563%0.62635%0.352SS*.PPolyproline II helixtrans-68.8152.1173.2-65.3-40.6000110.7Q340 L355Q340-N353 PolarHBondContact NE2-OD1 3.47Å; N353-L355 PolarHBondContact O-N 2.03Å
354P91.9Very high93.9Very high72 Ų7265.1 Ų65.147%0.46837%0.365SS..PPolyproline II helixtrans-49.5138.6168.6-27.534.8000111.6E339 Q356E339-P354 WeakPolarHBondContact O-CD 3.34Å; E339-P354 WeakPolarHBondContact O-CG 3.35Å; P354-Q356 PolarHBondContact O-N 2.84Å
355L93.1Very high93.7Very high44 Ų4465.3 Ų65.323%0.2337%0.37CS..PPolyproline II helixtrans-61.4122-176.217765.1000111.3N353 D366 Y387N353-L355 PolarHBondContact O-N 2.03Å; L355-D366 VanDerWaalsContact CB-O 3.3Å; L355-D366 WeakPolarHBondContact CB-O 3.46Å; L355-Y387 HydrophobicContact CD1-CD1 4.35Å; L355-Y387 HydrophobicContact CD1-CD2 3.61Å; L355-Y387 HydrophobicContact CD1-CE1 4.25Å; L355-Y387 HydrophobicContact CD1-CE2 3.53Å; L355-Y387 HydrophobicContact CD1-CG 4.05Å; L355-Y387 HydrophobicContact CD2-CD2 4.19Å; L355-Y387 HydrophobicContact CD2-CE2 4.4Å
356Q92.6Very high93.5Very high169 Ų16970.9 Ų70.979%0.7940%0.401SS*.  trans-110.6106.8172.1-66-175.8-2.400109.9P354P354-Q356 PolarHBondContact O-N 2.84Å
357C94.3Very high93.6Very high27 Ų2771 Ų7118%0.18240%0.403CS..PPolyproline II helixtrans-76.4129.1175.5-59.20000110.5A363 C369C357-A363 WeakPolarHBondContact SG-CA 3.01Å; C357-A363 PolarHBondContact SG-N 2.84Å; C357-C369 VanDerWaalsContact CA-SG 3.57Å; C357-C369 HydrophobicContact CB-CB 3.95Å; C357-C369 WeakPolarHBondContact CB-SG 3.38Å; C357-C369 VanDerWaalsContact SG-CA 3.56Å; C357-C369 WeakPolarHBondContact SG-CB 3.01Å; C357-C369 CovalentContact SG-SG 2.03Å; C357-C369 PolarHBondContact SG-SG 3.36Å
358Q93.2Very high93.8Very high158 Ų15872.4 Ų72.474%0.73840%0.402SS*.PPolyproline II helixtrans-73.1136.8173.7-68.1-170.3-30.500110.4Y361Q358-Y361 VanDerWaalsContact O-CB 3.3Å; Q358-Y361 WeakPolarHBondContact O-CB 3.01Å; Q358-Y361 PolarHBondContact O-N 3.35Å
359P92.3Very high93.9Very high124 Ų12472.1 Ų72.181%0.80540%0.399SS*.THydrogen-bonded Turntrans-53.1136.9172.4-24.733.7000111
360P94.3Very high93.9Very high36 Ų3673.1 Ų73.123%0.23441%0.407CS..THydrogen-bonded Turncis-91.512.611.436.3-36.4000115.7A377 L381P360-A377 HydrophobicContact CB-CB 4.02Å; P360-A377 HydrophobicContact CG-CB 4.03Å; P360-L381 HydrophobicContact CG-CD1 3.54Å
361Y95.4Very high93.9Very high31 Ų3171.5 Ų71.512%0.12240%0.397CS..  trans-75.1143.4-179.7-70-89.7000112.6Q358 C369 C371 L381 A382 I385Q358-Y361 VanDerWaalsContact O-CB 3.3Å; Q358-Y361 WeakPolarHBondContact O-CB 3.01Å; Q358-Y361 PolarHBondContact O-N 3.35Å; Y361-C369 HydrophobicContact CD1-CB 4.08Å; Y361-C369 HydrophobicContact CG-CB 4.31Å; Y361-C371 HydrophobicContact CD1-CB 3.84Å; Y361-C371 HydrophobicContact CE1-CB 3.63Å; Y361-L381 HydrophobicContact CE2-CD1 4.24Å; Y361-A382 WeakPolarHBondContact CE1-O 3.47Å; Y361-A382 PolarHBondContact OH-N 2.87Å; Y361-A382 PolarHBondContact OH-O 2.84Å; Y361-I385 HydrophobicContact CD1-CD1 4.32Å; Y361-I385 HydrophobicContact CD1-CG1 4.49Å; Y361-I385 HydrophobicContact CD2-CD1 4.36Å; Y361-I385 HydrophobicContact CE1-CD1 3.8Å; Y361-I385 HydrophobicContact CE1-CG1 3.86Å; Y361-I385 HydrophobicContact CE2-CD1 3.85Å
362L94.4Very high93.5Very high123 Ų12372.4 Ų72.464%0.64440%0.403SS*.EExtended strand (participates in β ladder)trans-111.2140.4172.6-59.6175.6000109.7V364 C369 M370L362-V364 PolarHBondContact O-N 3.18Å; L362-C369 CarbonylContact O-C 3.59Å; L362-C369 WeakPolarHBondContact O-CA 3.02Å; L362-M370 PolarHBondContact N-O 3.32Å; L362-M370 PolarHBondContact O-N 3.45Å
363A94.4Very high93Very high66 Ų6674.8 Ų74.855%0.54543%0.428SS..EExtended strand (participates in β ladder)trans-69.9128173.800000109.8C357C357-A363 WeakPolarHBondContact SG-CA 3.01Å; C357-A363 PolarHBondContact SG-N 2.84Å
364V93.8Very high92.7Very high77 Ų7777.8 Ų77.847%0.46744%0.438SS..EExtended strand (participates in β ladder)trans-105.3-35176.3-179.50000110.8L362 Q368 M370L362-V364 PolarHBondContact O-N 3.18Å; V364-Q368 PolarHBondContact N-O 3.44Å; V364-M370 HydrophobicContact CG2-CB 3.31Å; V364-M370 HydrophobicContact CG2-CE 3.89Å; V364-M370 HydrophobicContact CG2-CG 4.35Å; V364-M370 HydrophobicContact CG2-SD 4.25Å
365S93Very high92.6Very high44 Ų4477.2 Ų77.231%0.30843%0.431SS..EExtended strand (participates in β ladder)trans-146.1178.3173.972.50000109.8N367 Q368S365-N367 PolarHBondContact O-N 2.83Å; S365-N367 PolarHBondContact OG-N 2.8Å; S365-N367 PolarHBondContact OG-OD1 3.44Å; S365-Q368 PolarHBondContact N-O 3.2Å; S365-Q368 PolarHBondContact O-N 3.47Å; S365-Q368 WeakPolarHBondContact OG-CB 3.5Å; S365-Q368 PolarHBondContact OG-N 2.04Å
366D89.9Confident92.5Very high155 Ų15580.2 Ų80.283%0.82945%0.453SS*.THydrogen-bonded Turntrans-61-14.9179.6-55.8-32.8000114.3L355L355-D366 VanDerWaalsContact CB-O 3.3Å; L355-D366 WeakPolarHBondContact CB-O 3.46Å
367N93.9Very high92.4Very high49 Ų4975 Ų7526%0.26244%0.44SS..THydrogen-bonded Turntrans-132.910.5179.967.60.7000113.7S365 L386 Y387 R388S365-N367 PolarHBondContact O-N 2.83Å; S365-N367 PolarHBondContact OG-N 2.8Å; S365-N367 PolarHBondContact OG-OD1 3.44Å; N367-L386 WeakPolarHBondContact O-CA 3.32Å; N367-Y387 PolarHBondContact O-N 3.05Å; N367-R388 PolarHBondContact ND2-NH1 3.45Å
368Q95.6Very high92.2Very high61 Ų6173.8 Ų73.829%0.28543%0.431SS..EExtended strand (participates in β ladder)trans-132.7123.9-173.7-166.5178.127.200111.9V364 S365 T384 I385 L386V364-Q368 PolarHBondContact N-O 3.44Å; S365-Q368 PolarHBondContact N-O 3.2Å; S365-Q368 PolarHBondContact O-N 3.47Å; S365-Q368 WeakPolarHBondContact OG-CB 3.5Å; S365-Q368 PolarHBondContact OG-N 2.04Å; Q368-T384 HydrophobicContact CG-CG2 3.65Å; Q368-I385 WeakPolarHBondContact CA-O 3.39Å; Q368-L386 HydrophobicContact CB-CD1 4.32Å
369C96.6Very high91.9Very high1 Ų175.9 Ų75.91%0.00743%0.432CS..EExtended strand (participates in β ladder)trans-105.1138.1168.3-63.90000109.6C357 Y361 L362 T384 I385 Y387C357-C369 VanDerWaalsContact CA-SG 3.57Å; C357-C369 HydrophobicContact CB-CB 3.95Å; C357-C369 WeakPolarHBondContact CB-SG 3.38Å; C357-C369 VanDerWaalsContact SG-CA 3.56Å; C357-C369 WeakPolarHBondContact SG-CB 3.01Å; C357-C369 CovalentContact SG-SG 2.03Å; C357-C369 PolarHBondContact SG-SG 3.36Å; Y361-C369 HydrophobicContact CD1-CB 4.08Å; Y361-C369 HydrophobicContact CG-CB 4.31Å; L362-C369 CarbonylContact O-C 3.59Å; L362-C369 WeakPolarHBondContact O-CA 3.02Å; C369-T384 CarbonylContact O-C 3.54Å; C369-T384 WeakPolarHBondContact O-CA 3.38Å; C369-I385 HydrophobicContact CB-CB 4.35Å; C369-I385 PolarHBondContact N-O 3.29Å; C369-I385 PolarHBondContact O-N 3.23Å; C369-Y387 HydrophobicContact CB-CE2 4.47Å
370M95.2Very high91.6Very high84 Ų8477.3 Ų77.341%0.41443%0.433SS..EExtended strand (participates in β ladder)trans-127.1141.1177.7-171.4174.369.400111.4L362 V364 F383L362-M370 PolarHBondContact N-O 3.32Å; L362-M370 PolarHBondContact O-N 3.45Å; V364-M370 HydrophobicContact CG2-CB 3.31Å; V364-M370 HydrophobicContact CG2-CE 3.89Å; V364-M370 HydrophobicContact CG2-CG 4.35Å; V364-M370 HydrophobicContact CG2-SD 4.25Å; M370-F383 CarbonylContact C-O 3.49Å; M370-F383 WeakPolarHBondContact CA-O 3.26Å; M370-F383 WeakPolarHBondContact CG-O 3.22Å
371C94.3Very high91.5Very high3 Ų378.9 Ų78.92%0.0244%0.439CS..  trans-104.7115.9172.1-138.50000108Y361 C378 F383Y361-C371 HydrophobicContact CD1-CB 3.84Å; Y361-C371 HydrophobicContact CE1-CB 3.63Å; C371-C378 VanDerWaalsContact CA-SG 3.5Å; C371-C378 HydrophobicContact CB-CB 3.67Å; C371-C378 WeakPolarHBondContact CB-SG 3.04Å; C371-C378 VanDerWaalsContact SG-CA 3.56Å; C371-C378 WeakPolarHBondContact SG-CB 3.41Å; C371-C378 CovalentContact SG-SG 2.02Å; C371-C378 PolarHBondContact SG-SG 2.74Å; C371-F383 PolarHBondContact N-O 3.15Å
372S88.8Confident91.4Very high46 Ų4677.6 Ų77.632%0.32244%0.435SS..  trans-66.8135.3-180178.40000110.9E374 N375 C378S372-E374 PolarHBondContact O-N 3.27Å; S372-E374 PolarHBondContact OG-N 3.42Å; S372-N375 PolarHBondContact O-N 3.08Å; S372-C378 VanDerWaalsContact O-CB 3.32Å; S372-C378 WeakPolarHBondContact O-CB 3.03Å; S372-C378 PolarHBondContact O-SG 3.12Å
373A83.8Confident91.3Very high84 Ų8474.2 Ų74.269%0.69442%0.416SS*.THydrogen-bonded Turntrans-62.1-20.7174.200000113N375 F383A373-N375 VanDerWaalsContact C-N 3.31Å; A373-F383 HydrophobicContact CB-CE1 4.17Å
374E87Confident91.3Very high179 Ų17972.3 Ų72.384%0.83640%0.397SS*.THydrogen-bonded Turntrans-75.7-21176.6-60.5178.5172.700112.5S372 P376S372-E374 PolarHBondContact O-N 3.27Å; S372-E374 PolarHBondContact OG-N 3.42Å; E374-P376 WeakPolarHBondContact O-CD 3.38Å
375N89.6Confident91.4Very high61 Ų6169.3 Ų69.333%0.32638%0.378SS..SBendtrans-84117.9179.2-174.4-18.7000109.9S372 A373 A377 C378S372-N375 PolarHBondContact O-N 3.08Å; A373-N375 VanDerWaalsContact C-N 3.31Å; N375-A377 PolarHBondContact O-N 3.31Å; N375-A377 VanDerWaalsContact O-N 3.12Å; N375-A377 WeakPolarHBondContact OD1-CB 3.37Å; N375-A377 PolarHBondContact OD1-N 3.19Å; N375-C378 HydrophobicContact CB-CB 4.43Å; N375-C378 WeakPolarHBondContact O-CB 3.38Å; N375-C378 PolarHBondContact O-N 2.73Å
376P89.9Confident91.5Very high106 Ų10668.9 Ų68.969%0.68837%0.372SS*.G310 helixtrans-58.4-28.9-179.4-22.933000113.8E374 C378 R379E374-P376 WeakPolarHBondContact O-CD 3.38Å; P376-C378 PolarHBondContact O-N 3.24Å; P376-R379 PolarHBondContact O-N 2.73Å
377A91.3Very high91.8Very high61 Ų6163.7 Ų63.750%0.50434%0.341SS..G310 helixtrans-67.4-17.5177.700000113.1P360 N375 L381P360-A377 HydrophobicContact CB-CB 4.02Å; P360-A377 HydrophobicContact CG-CB 4.03Å; N375-A377 PolarHBondContact O-N 3.31Å; N375-A377 VanDerWaalsContact O-N 3.12Å; N375-A377 WeakPolarHBondContact OD1-CB 3.37Å; N375-A377 PolarHBondContact OD1-N 3.19Å; A377-L381 WeakPolarHBondContact O-CD1 3.26Å
378C89.9Confident91.9Very high1 Ų166.8 Ų66.81%0.00735%0.349CS..G310 helixtrans-88.2-5.1-179.3-66.60000114.2C371 S372 N375 P376 D380 L381C371-C378 VanDerWaalsContact CA-SG 3.5Å; C371-C378 HydrophobicContact CB-CB 3.67Å; C371-C378 WeakPolarHBondContact CB-SG 3.04Å; C371-C378 VanDerWaalsContact SG-CA 3.56Å; C371-C378 WeakPolarHBondContact SG-CB 3.41Å; C371-C378 CovalentContact SG-SG 2.02Å; C371-C378 PolarHBondContact SG-SG 2.74Å; S372-C378 VanDerWaalsContact O-CB 3.32Å; S372-C378 WeakPolarHBondContact O-CB 3.03Å; S372-C378 PolarHBondContact O-SG 3.12Å; N375-C378 HydrophobicContact CB-CB 4.43Å; N375-C378 WeakPolarHBondContact O-CB 3.38Å; N375-C378 PolarHBondContact O-N 2.73Å; P376-C378 PolarHBondContact O-N 3.24Å; C378-D380 VanDerWaalsContact C-N 3.3Å; C378-D380 PolarHBondContact O-N 3.22Å; C378-L381 PolarHBondContact O-N 3.22Å; C378-L381 VanDerWaalsContact O-N 3.14Å
379R86.3Confident92Very high202 Ų20266.9 Ų66.976%0.76235%0.35SS*.THydrogen-bonded Turntrans-54.8-42.4-169.8-177.7179.7-69.4-174.9-1.3113.8P376P376-R379 PolarHBondContact O-N 2.73Å
380D86.8Confident91.9Very high154 Ų15468.2 Ų68.282%0.82436%0.356SS*.THydrogen-bonded Turntrans-107.19.7-176.6-58.1-45.8000112.7C378C378-D380 VanDerWaalsContact C-N 3.3Å; C378-D380 PolarHBondContact O-N 3.22Å
381L91.9Very high91.9Very high68 Ų6867.7 Ų67.736%0.35636%0.355SS..SBendtrans-98.4161.9179.9-62.7-178.1000110.9P360 Y361 A377 C378 F383P360-L381 HydrophobicContact CG-CD1 3.54Å; Y361-L381 HydrophobicContact CE2-CD1 4.24Å; A377-L381 WeakPolarHBondContact O-CD1 3.26Å; C378-L381 PolarHBondContact O-N 3.22Å; C378-L381 VanDerWaalsContact O-N 3.14Å; L381-F383 PolarHBondContact O-N 3.2Å
382A93.3Very high91.9Very high5 Ų567.9 Ų67.94%0.04136%0.356CS..  trans-65.9136.1170.400000109.5Y361 T384 S471 I473Y361-A382 WeakPolarHBondContact CE1-O 3.47Å; Y361-A382 PolarHBondContact OH-N 2.87Å; Y361-A382 PolarHBondContact OH-O 2.84Å; A382-T384 VanDerWaalsContact C-N 3.26Å; A382-T384 PolarHBondContact O-N 3.1Å; A382-S471 CarbonylContact C-O 3.52Å; A382-S471 VanDerWaalsContact CA-O 3.29Å; A382-S471 WeakPolarHBondContact CA-O 3.25Å; A382-I473 HydrophobicContact CB-CD1 3.58Å; A382-I473 HydrophobicContact CB-CG1 3.75Å
383F92.4Very high92.1Very high52 Ų5266.2 Ų66.223%0.22834%0.344CS..SBendtrans-64.7-33.2179.4-74.1-63.6000112.3M370 C371 A373 L381 F468 S471M370-F383 CarbonylContact C-O 3.49Å; M370-F383 WeakPolarHBondContact CA-O 3.26Å; M370-F383 WeakPolarHBondContact CG-O 3.22Å; C371-F383 PolarHBondContact N-O 3.15Å; A373-F383 HydrophobicContact CB-CE1 4.17Å; L381-F383 PolarHBondContact O-N 3.2Å; F383-F468 HydrophobicContact CD2-CZ 4.32Å; F383-F468 AromaticContact CE2-CE2 3.94Å; F383-F468 HydrophobicContact CE2-CE2 3.94Å; F383-F468 AromaticContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CZ-CE2 4.13Å; F383-F468 HydrophobicContact CZ-CZ 4.29Å; F383-S471 PolarHBondContact N-O 3.15Å
384T93.7Very high92.6Very high25 Ų2562.8 Ų62.815%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-141.6138-176.2-54.50000109.9Q368 C369 A382 S472 I473Q368-T384 HydrophobicContact CG-CG2 3.65Å; C369-T384 CarbonylContact O-C 3.54Å; C369-T384 WeakPolarHBondContact O-CA 3.38Å; A382-T384 VanDerWaalsContact C-N 3.26Å; A382-T384 PolarHBondContact O-N 3.1Å; T384-S472 WeakPolarHBondContact O-CA 3.33Å; T384-I473 PolarHBondContact O-N 3.49Å
385I96.2Very high92.9Very high15 Ų1556 Ų568%0.07729%0.294CS..EExtended strand (participates in β ladder)trans-118.9117.8167.3-54.4175.9000107.3Y361 Q368 C369 Y387 I473 R475Y361-I385 HydrophobicContact CD1-CD1 4.32Å; Y361-I385 HydrophobicContact CD1-CG1 4.49Å; Y361-I385 HydrophobicContact CD2-CD1 4.36Å; Y361-I385 HydrophobicContact CE1-CD1 3.8Å; Y361-I385 HydrophobicContact CE1-CG1 3.86Å; Y361-I385 HydrophobicContact CE2-CD1 3.85Å; Q368-I385 WeakPolarHBondContact CA-O 3.39Å; C369-I385 HydrophobicContact CB-CB 4.35Å; C369-I385 PolarHBondContact N-O 3.29Å; C369-I385 PolarHBondContact O-N 3.23Å; I385-Y387 HydrophobicContact CB-CE2 4.22Å; I385-Y387 HydrophobicContact CG2-CD2 4.22Å; I385-Y387 HydrophobicContact CG2-CE2 3.61Å; I385-I473 CarbonylContact C-O 3.54Å; I385-I473 WeakPolarHBondContact CA-O 3.21Å; I385-I473 HydrophobicContact CG1-CB 4.44Å; I385-R475 HydrophobicContact CG2-CB 4.32Å
386L95.9Very high93Very high34 Ų3458.5 Ų58.518%0.17830%0.298CS..EExtended strand (participates in β ladder)trans-105.4124.6176.4-178.271.5000109.4N367 Q368 R388 I473 I474 R475N367-L386 WeakPolarHBondContact O-CA 3.32Å; Q368-L386 HydrophobicContact CB-CD1 4.32Å; L386-R388 HydrophobicContact CD2-CG 4.32Å; L386-R388 HydrophobicContact CG-CG 4.33Å; L386-I473 PolarHBondContact N-O 2.91Å; L386-I474 HydrophobicContact CB-CG1 4.27Å; L386-I474 HydrophobicContact CD2-CD1 4.27Å; L386-I474 HydrophobicContact CD2-CG1 4.22Å; L386-I474 CarbonylContact O-C 3.5Å; L386-I474 VanDerWaalsContact O-CA 3.29Å; L386-I474 WeakPolarHBondContact O-CA 3.46Å; L386-R475 PolarHBondContact O-N 2.73Å
387Y96.5Very high93.2Very high47 Ų4758.3 Ų58.318%0.18430%0.299CS..EExtended strand (participates in β ladder)trans-92.8128.1179-65.9-101.4000109.5L355 N367 C369 I385 R475L355-Y387 HydrophobicContact CD1-CD1 4.35Å; L355-Y387 HydrophobicContact CD1-CD2 3.61Å; L355-Y387 HydrophobicContact CD1-CE1 4.25Å; L355-Y387 HydrophobicContact CD1-CE2 3.53Å; L355-Y387 HydrophobicContact CD1-CG 4.05Å; L355-Y387 HydrophobicContact CD2-CD2 4.19Å; L355-Y387 HydrophobicContact CD2-CE2 4.4Å; N367-Y387 PolarHBondContact O-N 3.05Å; C369-Y387 HydrophobicContact CB-CE2 4.47Å; I385-Y387 HydrophobicContact CB-CE2 4.22Å; I385-Y387 HydrophobicContact CG2-CD2 4.22Å; I385-Y387 HydrophobicContact CG2-CE2 3.61Å; Y387-R475 HydrophobicContact CD1-CB 4.16Å; Y387-R475 HydrophobicContact CD1-CG 4.23Å; Y387-R475 HydrophobicContact CE1-CB 4.35Å; Y387-R475 HydrophobicContact CE1-CG 4.31Å
388R96.1Very high93.4Very high113 Ų11358 Ų5843%0.42629%0.291SS..EExtended strand (participates in β ladder)trans-133.7145.5177.2-69-63.7-174.5-175.1-0.6110N367 L386 F403 I474 R475 L476 T477N367-R388 PolarHBondContact ND2-NH1 3.45Å; L386-R388 HydrophobicContact CD2-CG 4.32Å; L386-R388 HydrophobicContact CG-CG 4.33Å; R388-F403 HydrophobicContact CG-CZ 4.45Å; R388-I474 HydrophobicContact CB-CG2 4.29Å; R388-I474 HydrophobicContact CG-CG2 4.06Å; R388-R475 PolarHBondContact N-O 3.14Å; R388-L476 HydrophobicContact CB-CD1 3.8Å; R388-L476 CarbonylContact O-C 3.32Å; R388-L476 WeakPolarHBondContact O-CA 3.26Å; R388-T477 PolarHBondContact O-N 3.41Å
389H96.1Very high93.6Very high64 Ų6463.4 Ų63.430%0.29633%0.327SS..EExtended strand (participates in β ladder)trans-122.6140.1177.2-60.7-84.6000108F343 T477 Y479F343-H389 HydrophobicContact CD1-CB 4.41Å; F343-H389 HydrophobicContact CD2-CB 4Å; F343-H389 HydrophobicContact CE1-CB 4.2Å; F343-H389 HydrophobicContact CE2-CB 3.77Å; F343-H389 HydrophobicContact CG-CB 4.33Å; F343-H389 HydrophobicContact CZ-CB 3.89Å; H389-T477 CarbonylContact C-O 3.52Å; H389-T477 WeakPolarHBondContact CA-O 3.44Å; H389-T477 WeakPolarHBondContact ND1-CB 3.46Å; H389-Y479 HydrophobicContact CB-CE2 4.13Å; H389-Y479 AromaticContact ND1-CE2 3.71Å; H389-Y479 PolarHBondContact ND1-OH 2.68Å
390M95.3Very high94.1Very high29 Ų2954.5 Ų54.514%0.14330%0.296CS..EExtended strand (participates in β ladder)trans-148.7158.1174.766.7175.3-6900110.5I402 F403 L476 T477 I478 Y479M390-I402 HydrophobicContact CE-CB 4.26Å; M390-I402 WeakPolarHBondContact CE-O 3.43Å; M390-F403 HydrophobicContact SD-CB 4.42Å; M390-F403 HydrophobicContact SD-CD2 4.26Å; M390-L476 HydrophobicContact CG-CD1 3.91Å; M390-L476 HydrophobicContact CG-CG 4.4Å; M390-L476 HydrophobicContact SD-CD1 3.94Å; M390-L476 HydrophobicContact SD-CD2 3.83Å; M390-L476 HydrophobicContact SD-CG 4.2Å; M390-T477 PolarHBondContact N-O 2.64Å; M390-I478 HydrophobicContact CG-CB 4.25Å; M390-I478 HydrophobicContact CG-CG1 3.82Å; M390-I478 HydrophobicContact CG-CG2 4.18Å; M390-I478 WeakPolarHBondContact O-CA 3.48Å; M390-I478 HydrophobicContact SD-CD1 4.28Å; M390-I478 HydrophobicContact SD-CG1 4Å; M390-Y479 PolarHBondContact O-N 3.02Å
391D94.6Very high94.5Very high72 Ų7251.5 Ų51.539%0.38528%0.28SS..EExtended strand (participates in β ladder)trans-100154.6173.864.3-57000111.4F345 Y479F345-D391 HydrophobicContact CB-CB 3.74Å; D391-Y479 CarbonylContact C-O 3.59Å; D391-Y479 WeakPolarHBondContact CA-O 3.24Å
392L94.6Very high94.7Very high8 Ų849.4 Ų49.44%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-149.4126.2176.7-17569.4000110.9I402 L443 I447 I478 Y479 V480 S481L392-I402 HydrophobicContact CD1-CG2 4.07Å; L392-L443 HydrophobicContact CD2-CD2 4.21Å; L392-I447 HydrophobicContact CD2-CD1 4.39Å; L392-I478 HydrophobicContact CB-CG2 3.72Å; L392-I478 HydrophobicContact CD2-CG2 4.18Å; L392-Y479 PolarHBondContact N-O 3.18Å; L392-V480 HydrophobicContact CB-CG2 4.46Å; L392-V480 HydrophobicContact CD2-CG2 4.35Å; L392-V480 VanDerWaalsContact O-CA 3.27Å; L392-V480 WeakPolarHBondContact O-CA 3.42Å; L392-S481 PolarHBondContact O-N 2.84Å
393S93.5Very high94.9Very high11 Ų1151.2 Ų51.28%0.07728%0.276CS..  trans-61.3140.9175.1-41.90000112.6Q346 R396 S481 F485Q346-S393 PolarHBondContact OE1-OG 3.23Å; S393-R396 PolarHBondContact O-N 3.46Å; S393-S481 WeakPolarHBondContact CA-OG 3.15Å; S393-F485 VanDerWaalsContact CB-O 3.26Å; S393-F485 WeakPolarHBondContact CB-O 3.31Å; S393-F485 PolarHBondContact OG-O 2.89Å
394S94Very high95Very high11 Ų1154.3 Ų54.38%0.07729%0.291CS..THydrogen-bonded Turntrans-55.3139.1172.1-157.10000111.3R396 G449 S481 E482 H483 P484S394-R396 PolarHBondContact O-N 3.15Å; S394-G449 PolarHBondContact OG-N 2.87Å; S394-G449 VanDerWaalsContact OG-N 3.1Å; S394-S481 WeakPolarHBondContact CB-O 3.4Å; S394-S481 PolarHBondContact N-OG 3.13Å; S394-S481 VanDerWaalsContact N-OG 3.1Å; S394-S481 PolarHBondContact OG-O 3.38Å; S394-E482 WeakPolarHBondContact CB-O 3.27Å; S394-E482 PolarHBondContact OG-O 3.38Å; S394-E482 VanDerWaalsContact OG-O 3.11Å; S394-H483 VanDerWaalsContact CB-C 3.47Å; S394-H483 WeakPolarHBondContact CB-O 3.5Å; S394-H483 PolarHBondContact N-O 2.89Å; S394-P484 WeakPolarHBondContact O-CA 3.1Å; S394-P484 WeakPolarHBondContact O-CB 3.49Å
395G92.3Very high95Very high38 Ų3853.4 Ų53.439%0.39229%0.285SS..THydrogen-bonded Turntrans62.319.6171.700000115.3S397 I447G395-S397 PolarHBondContact O-N 3.37Å; G395-I447 PolarHBondContact N-O 3.49Å
396R93.4Very high94.8Very high112 Ų11259 Ų5942%0.42331%0.311SS..  trans-47.4138.9179.5-170.8175.5-172.487.4-1.3111.8S393 S394 L443S393-R396 PolarHBondContact O-N 3.46Å; S394-R396 PolarHBondContact O-N 3.15Å; R396-L443 HydrophobicContact CB-CD2 4.36Å
397S93.6Very high94.5Very high102 Ų10257.9 Ų57.971%0.71331%0.307SS*.  trans-59.2139.9177.5570000111.4G395 A400G395-S397 PolarHBondContact O-N 3.37Å; S397-A400 WeakPolarHBondContact O-CB 3.48Å
398V94.3Very high93.6Very high55 Ų5562.3 Ų62.333%0.33334%0.339SS..SBendtrans-123.7150.1-177.5-66.70000111.1L443V398-L443 HydrophobicContact CG1-CB 4.34Å; V398-L443 HydrophobicContact CG1-CD2 3.81Å; V398-L443 HydrophobicContact CG1-CG 3.72Å
399P95.4Very high92.5Very high115 Ų11560.5 Ų60.575%0.74734%0.34SS*.SBendcis-74.8141.70.731-34.5000113V442 L443P399-V442 HydrophobicContact CB-CG1 4.13Å; P399-L443 VanDerWaalsContact CA-O 3.31Å; P399-L443 WeakPolarHBondContact CA-O 3.28Å
400A95.9Very high91.2Very high14 Ų1466.3 Ų66.312%0.11636%0.36CS..EExtended strand (participates in β ladder)trans-130.9132.4177.600000111.8S397 I402 V442 L443S397-A400 WeakPolarHBondContact O-CB 3.48Å; A400-I402 HydrophobicContact CB-CG2 4.22Å; A400-I402 PolarHBondContact O-N 2.02Å; A400-V442 CarbonylContact O-C 3.59Å; A400-V442 WeakPolarHBondContact O-CA 3.38Å; A400-L443 HydrophobicContact CB-CB 4.38Å; A400-L443 PolarHBondContact N-O 2.83Å; A400-L443 PolarHBondContact O-N 2.96Å
401D96.4Very high90.1Very high91 Ų9170.5 Ų70.549%0.48738%0.375SS..EExtended strand (participates in β ladder)trans-79.6116.6171-69.2-8.5000108.1R432 T440 V442D401-R432 VanDerWaalsContact CG-NH2 3.28Å; D401-R432 IonicContact OD1-CZ 3.55Å; D401-R432 IonicContact OD1-NH1 3.49Å; D401-R432 PolarHBondContact OD1-NH1 3.47Å; D401-R432 IonicContact OD1-NH2 3.11Å; D401-R432 PolarHBondContact OD1-NH2 2.84Å; D401-R432 VanDerWaalsContact OD1-NH2 3.11Å; D401-R432 IonicContact OD2-CZ 3.78Å; D401-R432 IonicContact OD2-NH2 2.72Å; D401-R432 PolarHBondContact OD2-NH2 2.95Å; D401-T440 HydrophobicContact CB-CG2 3.66Å; D401-V442 WeakPolarHBondContact OD1-CG2 3.03Å
402I95.5Very high89.3Confident25 Ų2572.7 Ų72.713%0.12839%0.393CS..EExtended strand (participates in β ladder)trans-116.8-21.7-17059.2163.3000114.2M390 L392 A400 F429 L441 L443 I478M390-I402 HydrophobicContact CE-CB 4.26Å; M390-I402 WeakPolarHBondContact CE-O 3.43Å; L392-I402 HydrophobicContact CD1-CG2 4.07Å; A400-I402 HydrophobicContact CB-CG2 4.22Å; A400-I402 PolarHBondContact O-N 2.02Å; I402-F429 HydrophobicContact CD1-CD1 3.76Å; I402-F429 HydrophobicContact CD1-CE1 3.48Å; I402-F429 VanDerWaalsContact CD1-CE1 3.48Å; I402-L441 HydrophobicContact CD1-CD2 3.9Å; I402-L441 HydrophobicContact CD1-CG 4.29Å; I402-L441 HydrophobicContact CG1-CB 4.38Å; I402-L441 HydrophobicContact CG1-CD2 4.15Å; I402-L441 HydrophobicContact CG1-CG 4.23Å; I402-L441 WeakPolarHBondContact CG1-O 3.48Å; I402-L441 PolarHBondContact N-O 3.48Å; I402-L443 HydrophobicContact CD1-CB 4.31Å; I402-L443 HydrophobicContact CG2-CB 4.02Å; I402-I478 HydrophobicContact CD1-CD1 4.27Å
403F96.8Very high88.5Confident43 Ų4375 Ų7519%0.18942%0.419CS..EExtended strand (participates in β ladder)trans-154.8137.8179.2-171.2-95.1000110.7R388 M390 M405 T440 L441 L457 I474 L476R388-F403 HydrophobicContact CG-CZ 4.45Å; M390-F403 HydrophobicContact SD-CB 4.42Å; M390-F403 HydrophobicContact SD-CD2 4.26Å; F403-M405 HydrophobicContact CD1-CG 4.09Å; F403-M405 HydrophobicContact CE1-CG 3.82Å; F403-T440 CarbonylContact O-C 3.48Å; F403-T440 WeakPolarHBondContact O-CA 3.33Å; F403-L441 HydrophobicContact CB-CB 4Å; F403-L441 HydrophobicContact CB-CD2 4.26Å; F403-L441 PolarHBondContact O-N 3.34Å; F403-L457 HydrophobicContact CD1-CD1 3.85Å; F403-L457 HydrophobicContact CE1-CD1 4.11Å; F403-I474 HydrophobicContact CE1-CD1 4.08Å; F403-I474 HydrophobicContact CE1-CG2 4.25Å; F403-I474 HydrophobicContact CZ-CD1 4.29Å; F403-I474 HydrophobicContact CZ-CG2 4.11Å; F403-L476 HydrophobicContact CB-CD2 4.03Å; F403-L476 HydrophobicContact CD1-CD2 4.19Å; F403-L476 HydrophobicContact CD2-CD1 3.93Å; F403-L476 HydrophobicContact CD2-CD2 3.97Å; F403-L476 HydrophobicContact CE2-CD1 3.85Å; F403-L476 HydrophobicContact CG-CD2 3.8Å; F403-L476 HydrophobicContact CZ-CD1 4.41Å
404Q95.3Very high88.2Confident116 Ų11675.5 Ų75.554%0.54242%0.424SS..EExtended strand (participates in β ladder)trans-116.4130177.5-168.4175.435.500111.2
405M94Very high87.9Confident6 Ų679.4 Ų79.43%0.0344%0.439CS..EExtended strand (participates in β ladder)trans-100.6138.7170.6-61.4-179.176.800109.9F403 F418 M431 S438 A439 L457 M459 I474F403-M405 HydrophobicContact CD1-CG 4.09Å; F403-M405 HydrophobicContact CE1-CG 3.82Å; M405-F418 HydrophobicContact CB-CD1 4.17Å; M405-F418 HydrophobicContact CB-CE1 4.21Å; M405-F418 HydrophobicContact SD-CD1 4.44Å; M405-M431 HydrophobicContact CB-CE 4.48Å; M405-M431 HydrophobicContact CG-CE 4.24Å; M405-M431 HydrophobicContact SD-CE 4Å; M405-S438 CarbonylContact O-C 3.59Å; M405-S438 WeakPolarHBondContact O-CA 3.49Å; M405-S438 VanDerWaalsContact O-CB 3.29Å; M405-S438 WeakPolarHBondContact O-CB 3.46Å; M405-A439 PolarHBondContact N-O 3.39Å; M405-A439 PolarHBondContact O-N 2.8Å; M405-L457 HydrophobicContact CE-CB 3.82Å; M405-L457 HydrophobicContact CG-CD1 4.32Å; M405-L457 HydrophobicContact SD-CB 3.43Å; M405-L457 WeakPolarHBondContact SD-CB 3.12Å; M405-L457 HydrophobicContact SD-CD1 3.87Å; M405-L457 HydrophobicContact SD-CG 4.28Å; M405-M459 HydrophobicContact CE-CB 4.26Å; M405-I474 HydrophobicContact CE-CB 4.21Å; M405-I474 HydrophobicContact CE-CD1 3.71Å; M405-I474 HydrophobicContact CE-CG1 3.83Å; M405-I474 HydrophobicContact CG-CD1 4.08Å
406Q92.3Very high87.9Confident132 Ų13278 Ų7862%0.61742%0.422SS*.EExtended strand (participates in β ladder)trans-141.3134.8176.4-174.5172.71.200111V437Q406-V437 CarbonylContact C-O 3.49Å; Q406-V437 WeakPolarHBondContact CA-O 3.03Å
407A88.3Confident87.9Confident11 Ų1176.2 Ų76.29%0.09142%0.42CS..  trans-71126.4171.600000110Y416 V437 M459A407-Y416 HydrophobicContact CB-CD1 3.79Å; A407-Y416 HydrophobicContact CB-CD2 4.32Å; A407-Y416 HydrophobicContact CB-CE1 3.71Å; A407-Y416 HydrophobicContact CB-CE2 4.26Å; A407-Y416 HydrophobicContact CB-CG 4.11Å; A407-V437 HydrophobicContact CB-CB 4.29Å; A407-V437 PolarHBondContact N-O 3.14Å; A407-M459 HydrophobicContact CB-CE 4.49Å; A407-M459 HydrophobicContact CB-SD 3.76Å
408T78.9Confident88Confident141 Ų14172.3 Ų72.387%0.86539%0.39SS*.SBendtrans-82.4-32.3-178.551.40000112.9
409T71.8Confident88.1Confident74 Ų7473.7 Ų73.745%0.45439%0.393SS..  trans-102.7126-179.37.10000109.6Y411 Y416T409-Y411 HydrophobicContact CG2-CE2 4.13Å; T409-Y416 PolarHBondContact O-OH 2.81Å
410R70.3Confident88.2Confident186 Ų18670.1 Ų70.170%0.70237%0.367SS*.  trans-104.488177.7-158.5-178.5-151.2-156.49.2110
411Y71.7Confident88.2Confident118 Ų11874.4 Ų74.446%0.46338%0.383SS..  trans-74.3129.4172.6-64.1-76000110.6T409 G413 A414T409-Y411 HydrophobicContact CG2-CE2 4.13Å; Y411-G413 PolarHBondContact O-N 3.49Å; Y411-A414 WeakPolarHBondContact O-CB 3.28Å; Y411-A414 PolarHBondContact O-N 3.09Å; Y411-A414 VanDerWaalsContact O-N 3.1Å
412P77.1Confident88.1Confident117 Ų11772.4 Ų72.476%0.7638%0.377SS*.THydrogen-bonded Turntrans-55.8127.9171.6-22.732.7000110.4A414 N463P412-A414 VanDerWaalsContact C-N 3.3Å; P412-A414 PolarHBondContact O-N 3.13Å; P412-N463 PolarHBondContact O-ND2 3.02Å
413G78.8Confident88.1Confident58 Ų5873 Ų7360%0.59839%0.389SS*.THydrogen-bonded Turntrans78.62-179.600000115.8Y411Y411-G413 PolarHBondContact O-N 3.49Å
414A85.6Confident87.9Confident21 Ų2172.7 Ų72.717%0.17439%0.389CS..EExtended strand (participates in β ladder)trans-84.9142.8172.200000111.9Y411 P412 Y416 T461 V462 N463Y411-A414 WeakPolarHBondContact O-CB 3.28Å; Y411-A414 PolarHBondContact O-N 3.09Å; Y411-A414 VanDerWaalsContact O-N 3.1Å; P412-A414 VanDerWaalsContact C-N 3.3Å; P412-A414 PolarHBondContact O-N 3.13Å; A414-Y416 HydrophobicContact CB-CE2 4.49Å; A414-T461 HydrophobicContact CB-CG2 4.49Å; A414-V462 CarbonylContact C-O 3.52Å; A414-V462 VanDerWaalsContact CA-O 3.25Å; A414-V462 WeakPolarHBondContact CA-O 3.19Å; A414-N463 HydrophobicContact CB-CB 4.04Å
415F89.1Confident87.7Confident92 Ų9273 Ų7340%0.40440%0.404SS..EExtended strand (participates in β ladder)trans-121.9150.3169.164.3-86000110.5I417 V462F415-I417 HydrophobicContact CD2-CG1 4.28Å; F415-I417 HydrophobicContact CE2-CD1 4.07Å; F415-I417 HydrophobicContact CE2-CG1 4.29Å; F415-V462 HydrophobicContact CD1-CB 4.2Å; F415-V462 HydrophobicContact CD1-CG1 4.5Å; F415-V462 HydrophobicContact CD2-CB 4.26Å; F415-V462 HydrophobicContact CE1-CB 3.69Å; F415-V462 HydrophobicContact CE1-CG1 3.59Å; F415-V462 HydrophobicContact CE2-CB 3.77Å; F415-V462 HydrophobicContact CE2-CG1 4.23Å; F415-V462 HydrophobicContact CE2-CG2 3.97Å; F415-V462 HydrophobicContact CG-CB 4.47Å; F415-V462 HydrophobicContact CZ-CB 3.46Å; F415-V462 VanDerWaalsContact CZ-CB 3.46Å; F415-V462 HydrophobicContact CZ-CG1 3.44Å; F415-V462 VanDerWaalsContact CZ-CG1 3.44Å; F415-V462 HydrophobicContact CZ-CG2 4.02Å; F415-V462 PolarHBondContact N-O 2.87Å; F415-V462 PolarHBondContact O-N 2.96Å
416Y92.4Very high87.4Confident10 Ų1074 Ų744%0.03942%0.416CS..EExtended strand (participates in β ladder)trans-117.6131.7-173-54.2-88.2000109.6A407 T409 A414 N436 V437 M459 V460 T461A407-Y416 HydrophobicContact CB-CD1 3.79Å; A407-Y416 HydrophobicContact CB-CD2 4.32Å; A407-Y416 HydrophobicContact CB-CE1 3.71Å; A407-Y416 HydrophobicContact CB-CE2 4.26Å; A407-Y416 HydrophobicContact CB-CG 4.11Å; T409-Y416 PolarHBondContact O-OH 2.81Å; A414-Y416 HydrophobicContact CB-CE2 4.49Å; Y416-N436 VanDerWaalsContact CD2-O 3.3Å; Y416-N436 WeakPolarHBondContact CD2-O 3.04Å; Y416-V437 HydrophobicContact CD2-CG1 4.04Å; Y416-V437 HydrophobicContact CE2-CG1 3.89Å; Y416-M459 HydrophobicContact CD1-CG 4.35Å; Y416-M459 HydrophobicContact CD1-SD 4.09Å; Y416-V460 WeakPolarHBondContact CA-O 3.48Å; Y416-T461 HydrophobicContact CD1-CG2 4.12Å; Y416-T461 WeakPolarHBondContact CD1-OG1 3.34Å; Y416-T461 HydrophobicContact CE1-CG2 3.63Å
417I93.1Very high87.4Confident73 Ų7376.8 Ų76.837%0.37442%0.421SS..EExtended strand (participates in β ladder)trans-111.1128.6174.8-56.1165.4000107.3F415 M459 V460 V462F415-I417 HydrophobicContact CD2-CG1 4.28Å; F415-I417 HydrophobicContact CE2-CD1 4.07Å; F415-I417 HydrophobicContact CE2-CG1 4.29Å; I417-M459 CarbonylContact O-C 3.6Å; I417-M459 WeakPolarHBondContact O-CA 3.02Å; I417-V460 HydrophobicContact CB-CB 4.25Å; I417-V460 PolarHBondContact N-O 3.33Å; I417-V460 PolarHBondContact O-N 3.49Å; I417-V462 HydrophobicContact CD1-CG2 4.49Å
418F95.7Very high87.7Confident20 Ų2078.4 Ų78.49%0.08843%0.427CS..EExtended strand (participates in β ladder)trans-113.7129.8-179.7-58.5-90.3000109.6M405 M431 A439 E458 M459M405-F418 HydrophobicContact CB-CD1 4.17Å; M405-F418 HydrophobicContact CB-CE1 4.21Å; M405-F418 HydrophobicContact SD-CD1 4.44Å; F418-M431 HydrophobicContact CB-CE 4.39Å; F418-M431 HydrophobicContact CB-CG 4.07Å; F418-A439 HydrophobicContact CB-CB 3.46Å; F418-A439 VanDerWaalsContact CB-CB 3.46Å; F418-A439 HydrophobicContact CD1-CB 3.9Å; F418-A439 HydrophobicContact CD2-CB 3.57Å; F418-A439 HydrophobicContact CE2-CB 4.26Å; F418-A439 HydrophobicContact CG-CB 3.36Å; F418-E458 WeakPolarHBondContact CA-O 3.07Å; F418-M459 HydrophobicContact CD1-CB 4.09Å; F418-M459 HydrophobicContact CD1-CG 3.97Å; F418-M459 HydrophobicContact CE1-CB 4.09Å; F418-M459 HydrophobicContact CE1-CG 3.56Å; F418-M459 HydrophobicContact CE1-SD 3.68Å; F418-M459 HydrophobicContact CZ-CG 4.15Å; F418-M459 HydrophobicContact CZ-SD 4.12Å
419Q95.6Very high88.5Confident85 Ų8572.1 Ų72.140%0.39739%0.388SS..EExtended strand (participates in β ladder)trans-148.8158.2-179.564.2-174.4-0.300112.2E458Q419-E458 HydrophobicContact CG-CB 4.02Å; Q419-E458 PolarHBondContact N-O 3.43Å; Q419-E458 PolarHBondContact NE2-OE2 2.92Å; Q419-E458 PolarHBondContact O-N 2.78Å
420I96.9Very high89.7Confident39 Ų3975.1 Ų75.120%0.239%0.392CS..EExtended strand (participates in β ladder)trans-88.2112.3169.1-55.1165.8000107S422 N424 F429 M431 L441 L457I420-S422 WeakPolarHBondContact CG2-O 3.1Å; I420-N424 HydrophobicContact CD1-CB 4.33Å; I420-N424 WeakPolarHBondContact CD1-ND2 3.38Å; I420-N424 HydrophobicContact CG2-CB 3.7Å; I420-F429 HydrophobicContact CD1-CB 3.84Å; I420-M431 HydrophobicContact CG1-CB 4.23Å; I420-L441 HydrophobicContact CD1-CD1 3.8Å; I420-L441 HydrophobicContact CG1-CD1 4.07Å; I420-L457 HydrophobicContact CB-CD2 4.49Å; I420-L457 HydrophobicContact CG1-CD2 3.95Å; I420-L457 HydrophobicContact CG2-CD2 4.32Å
421K95.9Very high90.9Very high104 Ų10467.3 Ų67.345%0.45236%0.363SS..EExtended strand (participates in β ladder)trans-79.5-40.7-177-175.1175.3-168.5155.60112.2D456 E458 I473K421-D456 WeakPolarHBondContact CA-O 3.43Å; K421-D456 HydrophobicContact CB-CB 4.16Å; K421-D456 WeakPolarHBondContact CB-O 3.45Å; K421-D456 PolarHBondContact N-O 3.46Å; K421-E458 HydrophobicContact CB-CB 3.99Å; K421-E458 HydrophobicContact CD-CB 4.32Å; K421-E458 IonicContact NZ-OE1 2.83Å; K421-E458 PolarHBondContact NZ-OE1 3.29Å; K421-I473 HydrophobicContact CD-CD1 3.89Å; K421-I473 HydrophobicContact CD-CG1 4.44Å
422S96.3Very high92Very high50 Ų5066.4 Ų66.435%0.3536%0.359SS..EExtended strand (participates in β ladder)trans-153.9167.7-179.3790000111.2I420 D456I420-S422 WeakPolarHBondContact CG2-O 3.1Å; S422-D456 PolarHBondContact N-O 3.49Å; S422-D456 PolarHBondContact O-N 2.8Å; S422-D456 VanDerWaalsContact OG-CB 3.26Å; S422-D456 WeakPolarHBondContact OG-CB 3.33Å; S422-D456 VanDerWaalsContact OG-CG 3.27Å; S422-D456 PolarHBondContact OG-OD2 2.89Å
423G93.6Very high92.8Very high37 Ų3766.3 Ų66.338%0.38135%0.348SS..SBendtrans90.1-8.117200000116.8V454 L455G423-V454 VanDerWaalsContact CA-O 3.25Å; G423-V454 WeakPolarHBondContact CA-O 3.46Å; G423-L455 VanDerWaalsContact O-CD2 3.28Å; G423-L455 WeakPolarHBondContact O-CD2 3.38Å
424N94.4Very high93.5Very high37 Ų3766.4 Ų66.420%0.19834%0.337CS..  trans-103.451180-175.734.2000112.3I420 R427 E428 F429 L455I420-N424 HydrophobicContact CD1-CB 4.33Å; I420-N424 WeakPolarHBondContact CD1-ND2 3.38Å; I420-N424 HydrophobicContact CG2-CB 3.7Å; N424-R427 PolarHBondContact O-N 2.88Å; N424-R427 WeakPolarHBondContact OD1-CA 3.3Å; N424-R427 PolarHBondContact OD1-N 2.87Å; N424-E428 PolarHBondContact OD1-N 3.45Å; N424-F429 HydrophobicContact CB-CD2 4.45Å; N424-F429 PolarHBondContact ND2-O 3.48Å; N424-F429 WeakPolarHBondContact OD1-CD2 3.26Å; N424-F429 PolarHBondContact OD1-N 3.22Å; N424-L455 HydrophobicContact CB-CD2 4.13Å
425S89.8Confident93.8Very high121 Ų12167.4 Ų67.485%0.84634%0.343SS*.THydrogen-bonded Turntrans-67.7-34.5-177.946.30000113.2R427S425-R427 VanDerWaalsContact C-N 3.3Å; S425-R427 PolarHBondContact O-N 3.24Å
426G87.8Confident93.8Very high28 Ų2867.7 Ų67.729%0.28935%0.349SS..THydrogen-bonded Turntrans-84.9-0.3179.200000114.7E428 R445G426-E428 VanDerWaalsContact CA-CD 3.45Å; G426-E428 VanDerWaalsContact CA-OE1 3.27Å; G426-E428 WeakPolarHBondContact CA-OE1 3.31Å; G426-E428 WeakPolarHBondContact CA-OE2 3.39Å; G426-E428 PolarHBondContact N-OE2 3.09Å; G426-E428 PolarHBondContact O-N 3.32Å; G426-R445 PolarHBondContact O-NH1 3.47Å
427R91.9Very high93.8Very high190 Ų19068.2 Ų68.272%0.71735%0.353SS*.  trans58.334.1177.6-53.6179.5175.9-174.3-2112.8N424 S425 F429N424-R427 PolarHBondContact O-N 2.88Å; N424-R427 WeakPolarHBondContact OD1-CA 3.3Å; N424-R427 PolarHBondContact OD1-N 2.87Å; S425-R427 VanDerWaalsContact C-N 3.3Å; S425-R427 PolarHBondContact O-N 3.24Å; R427-F429 VanDerWaalsContact C-N 3.31Å
428E94.4Very high93.8Very high46 Ų4665.2 Ų65.222%0.21534%0.339CS..  trans-75.1-26.5175.6-56.888170.200111.3N424 G426 L443 T444 R445 I447N424-E428 PolarHBondContact OD1-N 3.45Å; G426-E428 VanDerWaalsContact CA-CD 3.45Å; G426-E428 VanDerWaalsContact CA-OE1 3.27Å; G426-E428 WeakPolarHBondContact CA-OE1 3.31Å; G426-E428 WeakPolarHBondContact CA-OE2 3.39Å; G426-E428 PolarHBondContact N-OE2 3.09Å; G426-E428 PolarHBondContact O-N 3.32Å; E428-L443 HydrophobicContact CB-CD1 4.32Å; E428-T444 PolarHBondContact O-N 3.35Å; E428-T444 PolarHBondContact O-OG1 3.21Å; E428-R445 HydrophobicContact CB-CB 4.4Å; E428-R445 HydrophobicContact CG-CB 4.35Å; E428-I447 HydrophobicContact CB-CD1 4.05Å; E428-I447 HydrophobicContact CB-CG1 4.19Å; E428-I447 HydrophobicContact CG-CD1 4.33Å; E428-I447 HydrophobicContact CG-CG1 4.09Å
429F96.8Very high93.9Very high9 Ų964.3 Ų64.34%0.03934%0.335CS..EExtended strand (participates in β ladder)trans-109.1147.6-175.1-52.3-80.3000112.7I402 I420 N424 R427 L441 V442 L443 I447 L453 L455 I478I402-F429 HydrophobicContact CD1-CD1 3.76Å; I402-F429 HydrophobicContact CD1-CE1 3.48Å; I402-F429 VanDerWaalsContact CD1-CE1 3.48Å; I420-F429 HydrophobicContact CD1-CB 3.84Å; N424-F429 HydrophobicContact CB-CD2 4.45Å; N424-F429 PolarHBondContact ND2-O 3.48Å; N424-F429 WeakPolarHBondContact OD1-CD2 3.26Å; N424-F429 PolarHBondContact OD1-N 3.22Å; R427-F429 VanDerWaalsContact C-N 3.31Å; F429-L441 HydrophobicContact CB-CD1 3.87Å; F429-L441 HydrophobicContact CB-CG 4.44Å; F429-L441 HydrophobicContact CD1-CD2 4.13Å; F429-L441 HydrophobicContact CD1-CG 4.22Å; F429-L441 HydrophobicContact CG-CD1 4.46Å; F429-V442 CarbonylContact C-O 3.15Å; F429-V442 WeakPolarHBondContact CA-O 3.18Å; F429-L443 HydrophobicContact CD1-CD1 3.97Å; F429-L443 HydrophobicContact CE1-CD1 3.62Å; F429-L443 HydrophobicContact CZ-CD1 4.24Å; F429-I447 HydrophobicContact CE1-CD1 4.05Å; F429-I447 HydrophobicContact CE2-CD1 4.11Å; F429-I447 HydrophobicContact CZ-CD1 3.46Å; F429-I447 VanDerWaalsContact CZ-CD1 3.46Å; F429-L453 HydrophobicContact CE2-CD1 3.96Å; F429-L453 HydrophobicContact CZ-CD1 3.79Å; F429-L455 HydrophobicContact CD1-CD1 4.16Å; F429-L455 HydrophobicContact CD2-CD1 3.82Å; F429-L455 HydrophobicContact CD2-CD2 3.93Å; F429-L455 HydrophobicContact CD2-CG 4.48Å; F429-L455 HydrophobicContact CE1-CD1 4.21Å; F429-L455 HydrophobicContact CE2-CD1 3.89Å; F429-L455 HydrophobicContact CE2-CD2 4.09Å; F429-L455 HydrophobicContact CE2-CG 4.43Å; F429-L455 HydrophobicContact CG-CD1 3.95Å; F429-L455 HydrophobicContact CZ-CD1 4.08Å; F429-I478 HydrophobicContact CE1-CD1 3.99Å; F429-I478 HydrophobicContact CZ-CD1 3.97Å
430Y95.9Very high94Very high137 Ų13760.7 Ų60.754%0.53732%0.318SS..EExtended strand (participates in β ladder)trans-133.6136.2172.5171.4-106000110.1R432 V442Y430-R432 HydrophobicContact CD1-CB 4.06Å; Y430-R432 HydrophobicContact CE1-CB 3.71Å; Y430-R432 HydrophobicContact CE1-CG 4.18Å; Y430-V442 PolarHBondContact N-O 2.88Å; Y430-V442 PolarHBondContact O-N 3.18Å
431M95.9Very high94Very high22 Ų2258.8 Ų58.811%0.10831%0.309CS..EExtended strand (participates in β ladder)trans-90.6111.5175.2-158.369.6-149.500109.9M405 F418 I420 A439 L441M405-M431 HydrophobicContact CB-CE 4.48Å; M405-M431 HydrophobicContact CG-CE 4.24Å; M405-M431 HydrophobicContact SD-CE 4Å; F418-M431 HydrophobicContact CB-CE 4.39Å; F418-M431 HydrophobicContact CB-CG 4.07Å; I420-M431 HydrophobicContact CG1-CB 4.23Å; M431-A439 HydrophobicContact CE-CB 3.28Å; M431-A439 WeakPolarHBondContact CE-O 3.35Å; M431-A439 HydrophobicContact CG-CB 4.33Å; M431-L441 HydrophobicContact SD-CB 4.34Å; M431-L441 HydrophobicContact SD-CD1 4.09Å
432R96.2Very high94.1Very high99 Ų9954.2 Ų54.237%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-101.7116.4177.4-171.717969.8-155.4-4.1110.1D401 Y430 T434 A439 T440 V442D401-R432 VanDerWaalsContact CG-NH2 3.28Å; D401-R432 IonicContact OD1-CZ 3.55Å; D401-R432 IonicContact OD1-NH1 3.49Å; D401-R432 PolarHBondContact OD1-NH1 3.47Å; D401-R432 IonicContact OD1-NH2 3.11Å; D401-R432 PolarHBondContact OD1-NH2 2.84Å; D401-R432 VanDerWaalsContact OD1-NH2 3.11Å; D401-R432 IonicContact OD2-CZ 3.78Å; D401-R432 IonicContact OD2-NH2 2.72Å; D401-R432 PolarHBondContact OD2-NH2 2.95Å; Y430-R432 HydrophobicContact CD1-CB 4.06Å; Y430-R432 HydrophobicContact CE1-CB 3.71Å; Y430-R432 HydrophobicContact CE1-CG 4.18Å; R432-T434 PolarHBondContact O-N 3.41Å; R432-A439 CarbonylContact O-C 3.19Å; R432-A439 VanDerWaalsContact O-CA 3.31Å; R432-A439 WeakPolarHBondContact O-CA 2.99Å; R432-A439 WeakPolarHBondContact O-CB 3.15Å; R432-T440 PolarHBondContact N-O 3.08Å; R432-T440 PolarHBondContact O-N 2.86Å; R432-V442 HydrophobicContact CB-CG2 3.79Å
433Q93.9Very high94.1Very high114 Ų11451.8 Ų51.853%0.53327%0.273SS..EExtended strand (participates in β ladder)trans-68.1121.7172-171.8161.67.200110.2S435Q433-S435 WeakPolarHBondContact CG-O 3.34Å; Q433-S435 PolarHBondContact NE2-O 3.17Å; Q433-S435 VanDerWaalsContact NE2-O 3.09Å
434T93.4Very high94.2Very high60 Ų6052.8 Ų52.837%0.36827%0.271SS..  trans-103-28-176.544.80000112.5R432 S438 A439 T440R432-T434 PolarHBondContact O-N 3.41Å; T434-S438 PolarHBondContact N-O 2.04Å; T434-S438 VanDerWaalsContact OG1-C 3.29Å; T434-S438 PolarHBondContact OG1-O 2.95Å; T434-S438 VanDerWaalsContact OG1-O 3.1Å; T434-S438 PolarHBondContact OG1-OG 3.06Å; T434-A439 WeakPolarHBondContact OG1-CA 3.02Å; T434-A439 PolarHBondContact OG1-N 3Å; T434-T440 VanDerWaalsContact CG2-OG1 3.25Å; T434-T440 WeakPolarHBondContact CG2-OG1 3.04Å
435S91.8Very high94.2Very high43 Ų4357.7 Ų57.730%0.30129%0.287SS..SBendtrans-149.8-176.4172.877.80000110.8Q433 V437 S438Q433-S435 WeakPolarHBondContact CG-O 3.34Å; Q433-S435 PolarHBondContact NE2-O 3.17Å; Q433-S435 VanDerWaalsContact NE2-O 3.09Å; S435-V437 PolarHBondContact O-N 3.32Å; S435-V437 PolarHBondContact OG-N 3.39Å; S435-V437 VanDerWaalsContact OG-N 3.08Å; S435-S438 WeakPolarHBondContact CB-OG 2.99Å; S435-S438 PolarHBondContact N-O 3.38Å; S435-S438 WeakPolarHBondContact OG-CB 3.4Å; S435-S438 PolarHBondContact OG-N 3.02Å; S435-S438 PolarHBondContact OG-OG 2.04Å
436N88.9Confident94.4Very high97 Ų9755.7 Ų55.752%0.51927%0.271SS..SBendtrans-67-17171.963.6-16.1000113.5Y416Y416-N436 VanDerWaalsContact CD2-O 3.3Å; Y416-N436 WeakPolarHBondContact CD2-O 3.04Å
437V91.2Very high94.7Very high21 Ų2154.7 Ų54.713%0.12726%0.259CS..SBendtrans-125.53-177-63.80000113.2Q406 A407 Y416 S435Q406-V437 CarbonylContact C-O 3.49Å; Q406-V437 WeakPolarHBondContact CA-O 3.03Å; A407-V437 HydrophobicContact CB-CB 4.29Å; A407-V437 PolarHBondContact N-O 3.14Å; Y416-V437 HydrophobicContact CD2-CG1 4.04Å; Y416-V437 HydrophobicContact CE2-CG1 3.89Å; S435-V437 PolarHBondContact O-N 3.32Å; S435-V437 PolarHBondContact OG-N 3.39Å; S435-V437 VanDerWaalsContact OG-N 3.08Å
438S94.3Very high94.8Very high11 Ų1154 Ų548%0.07726%0.261CS..EExtended strand (participates in β ladder)trans-144.2151.4-178.467.20000112.9M405 T434 S435M405-S438 CarbonylContact O-C 3.59Å; M405-S438 WeakPolarHBondContact O-CA 3.49Å; M405-S438 VanDerWaalsContact O-CB 3.29Å; M405-S438 WeakPolarHBondContact O-CB 3.46Å; T434-S438 PolarHBondContact N-O 2.04Å; T434-S438 VanDerWaalsContact OG1-C 3.29Å; T434-S438 PolarHBondContact OG1-O 2.95Å; T434-S438 VanDerWaalsContact OG1-O 3.1Å; T434-S438 PolarHBondContact OG1-OG 3.06Å; S435-S438 WeakPolarHBondContact CB-OG 2.99Å; S435-S438 PolarHBondContact N-O 3.38Å; S435-S438 WeakPolarHBondContact OG-CB 3.4Å; S435-S438 PolarHBondContact OG-N 3.02Å; S435-S438 PolarHBondContact OG-OG 2.04Å
439A96.6Very high94.7Very high0 Ų052.7 Ų52.70%026%0.26CS..EExtended strand (participates in β ladder)trans-144.7150.5173.100000109.8M405 F418 M431 R432 T434M405-A439 PolarHBondContact N-O 3.39Å; M405-A439 PolarHBondContact O-N 2.8Å; F418-A439 HydrophobicContact CB-CB 3.46Å; F418-A439 VanDerWaalsContact CB-CB 3.46Å; F418-A439 HydrophobicContact CD1-CB 3.9Å; F418-A439 HydrophobicContact CD2-CB 3.57Å; F418-A439 HydrophobicContact CE2-CB 4.26Å; F418-A439 HydrophobicContact CG-CB 3.36Å; M431-A439 HydrophobicContact CE-CB 3.28Å; M431-A439 WeakPolarHBondContact CE-O 3.35Å; M431-A439 HydrophobicContact CG-CB 4.33Å; R432-A439 CarbonylContact O-C 3.19Å; R432-A439 VanDerWaalsContact O-CA 3.31Å; R432-A439 WeakPolarHBondContact O-CA 2.99Å; R432-A439 WeakPolarHBondContact O-CB 3.15Å; T434-A439 WeakPolarHBondContact OG1-CA 3.02Å; T434-A439 PolarHBondContact OG1-N 3Å
440T97.4Very high94.6Very high9 Ų956.8 Ų56.86%0.05529%0.288CS..EExtended strand (participates in β ladder)trans-114.4131.9-178.4-55.40000109.8D401 F403 R432 T434D401-T440 HydrophobicContact CB-CG2 3.66Å; F403-T440 CarbonylContact O-C 3.48Å; F403-T440 WeakPolarHBondContact O-CA 3.33Å; R432-T440 PolarHBondContact N-O 3.08Å; R432-T440 PolarHBondContact O-N 2.86Å; T434-T440 VanDerWaalsContact CG2-OG1 3.25Å; T434-T440 WeakPolarHBondContact CG2-OG1 3.04Å
441L97.5Very high94.4Very high0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-77.1118.6168.5-171.470.4000108.1I402 F403 I420 F429 M431 L455 L457 L476I402-L441 HydrophobicContact CD1-CD2 3.9Å; I402-L441 HydrophobicContact CD1-CG 4.29Å; I402-L441 HydrophobicContact CG1-CB 4.38Å; I402-L441 HydrophobicContact CG1-CD2 4.15Å; I402-L441 HydrophobicContact CG1-CG 4.23Å; I402-L441 WeakPolarHBondContact CG1-O 3.48Å; I402-L441 PolarHBondContact N-O 3.48Å; F403-L441 HydrophobicContact CB-CB 4Å; F403-L441 HydrophobicContact CB-CD2 4.26Å; F403-L441 PolarHBondContact O-N 3.34Å; I420-L441 HydrophobicContact CD1-CD1 3.8Å; I420-L441 HydrophobicContact CG1-CD1 4.07Å; F429-L441 HydrophobicContact CB-CD1 3.87Å; F429-L441 HydrophobicContact CB-CG 4.44Å; F429-L441 HydrophobicContact CD1-CD2 4.13Å; F429-L441 HydrophobicContact CD1-CG 4.22Å; F429-L441 HydrophobicContact CG-CD1 4.46Å; M431-L441 HydrophobicContact SD-CB 4.34Å; M431-L441 HydrophobicContact SD-CD1 4.09Å; L441-L455 HydrophobicContact CD2-CD1 3.7Å; L441-L457 HydrophobicContact CD1-CD2 3.93Å; L441-L457 HydrophobicContact CD2-CD1 4.26Å; L441-L457 HydrophobicContact CD2-CD2 4.42Å; L441-L476 HydrophobicContact CD2-CD2 3.97Å
442V97.4Very high94.4Very high7 Ų756.8 Ų56.84%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-108.4125.5-177.8-172.60000108.7P399 A400 D401 F429 Y430 R432 T444P399-V442 HydrophobicContact CB-CG1 4.13Å; A400-V442 CarbonylContact O-C 3.59Å; A400-V442 WeakPolarHBondContact O-CA 3.38Å; D401-V442 WeakPolarHBondContact OD1-CG2 3.03Å; F429-V442 CarbonylContact C-O 3.15Å; F429-V442 WeakPolarHBondContact CA-O 3.18Å; Y430-V442 PolarHBondContact N-O 2.88Å; Y430-V442 PolarHBondContact O-N 3.18Å; R432-V442 HydrophobicContact CB-CG2 3.79Å; V442-T444 HydrophobicContact CG1-CG2 4.39Å
443L97.1Very high94.4Very high0 Ų053.6 Ų53.60%029%0.288CS..EExtended strand (participates in β ladder)trans-76.8120.2167.1-173.569.2000108.9L392 R396 V398 P399 A400 I402 E428 F429 R445 I447L392-L443 HydrophobicContact CD2-CD2 4.21Å; R396-L443 HydrophobicContact CB-CD2 4.36Å; V398-L443 HydrophobicContact CG1-CB 4.34Å; V398-L443 HydrophobicContact CG1-CD2 3.81Å; V398-L443 HydrophobicContact CG1-CG 3.72Å; P399-L443 VanDerWaalsContact CA-O 3.31Å; P399-L443 WeakPolarHBondContact CA-O 3.28Å; A400-L443 HydrophobicContact CB-CB 4.38Å; A400-L443 PolarHBondContact N-O 2.83Å; A400-L443 PolarHBondContact O-N 2.96Å; I402-L443 HydrophobicContact CD1-CB 4.31Å; I402-L443 HydrophobicContact CG2-CB 4.02Å; E428-L443 HydrophobicContact CB-CD1 4.32Å; F429-L443 HydrophobicContact CD1-CD1 3.97Å; F429-L443 HydrophobicContact CE1-CD1 3.62Å; F429-L443 HydrophobicContact CZ-CD1 4.24Å; L443-R445 VanDerWaalsContact CD1-O 3.26Å; L443-R445 WeakPolarHBondContact CD1-O 3.14Å; L443-R445 WeakPolarHBondContact CG-O 3.3Å; L443-I447 HydrophobicContact CD1-CD1 3.47Å; L443-I447 VanDerWaalsContact CD1-CD1 3.47Å; L443-I447 HydrophobicContact CD1-CG1 3.93Å
444T96Very high94.5Very high57 Ų5751.4 Ų51.435%0.3528%0.283SS..  trans-109-15.4-176.3630000113.2E428 V442E428-T444 PolarHBondContact O-N 3.35Å; E428-T444 PolarHBondContact O-OG1 3.21Å; V442-T444 HydrophobicContact CG1-CG2 4.39Å
445R94.4Very high94.7Very high140 Ų14048.6 Ų48.653%0.52827%0.265SS..SBendtrans-134.6138.8176.3-64.3-177.9179-178.9-5.2110G426 E428 L443G426-R445 PolarHBondContact O-NH1 3.47Å; E428-R445 HydrophobicContact CB-CB 4.4Å; E428-R445 HydrophobicContact CG-CB 4.35Å; L443-R445 VanDerWaalsContact CD1-O 3.26Å; L443-R445 WeakPolarHBondContact CD1-O 3.14Å; L443-R445 WeakPolarHBondContact CG-O 3.3Å
446P94.3Very high95Very high79 Ų7947.3 Ų47.351%0.51326%0.255SS..  trans-64.6140.5176.128.4-33.3000109.5
447I94.4Very high95.4Very high8 Ų842.7 Ų42.74%0.04123%0.23CC..  trans-110.7126.6-178.7-62.5174.3000107.7L392 G395 E428 F429 L443 Q451 L453 V480L392-I447 HydrophobicContact CD2-CD1 4.39Å; G395-I447 PolarHBondContact N-O 3.49Å; E428-I447 HydrophobicContact CB-CD1 4.05Å; E428-I447 HydrophobicContact CB-CG1 4.19Å; E428-I447 HydrophobicContact CG-CD1 4.33Å; E428-I447 HydrophobicContact CG-CG1 4.09Å; F429-I447 HydrophobicContact CE1-CD1 4.05Å; F429-I447 HydrophobicContact CE2-CD1 4.11Å; F429-I447 HydrophobicContact CZ-CD1 3.46Å; F429-I447 VanDerWaalsContact CZ-CD1 3.46Å; L443-I447 HydrophobicContact CD1-CD1 3.47Å; L443-I447 VanDerWaalsContact CD1-CD1 3.47Å; L443-I447 HydrophobicContact CD1-CG1 3.93Å; I447-Q451 HydrophobicContact CG2-CG 4.16Å; I447-L453 HydrophobicContact CD1-CD1 3.7Å; I447-L453 HydrophobicContact CG2-CD1 4.32Å; I447-V480 HydrophobicContact CG2-CB 4.5Å; I447-V480 HydrophobicContact CG2-CG1 4.09Å; I447-V480 HydrophobicContact CG2-CG2 4.02Å
448K93.8Very high95.7Very high175 Ų17542.6 Ų42.676%0.76123%0.228SC*.  trans-87.4126.3173.1-66.6-170.2175.5-170.70108.9
449G91.8Very high95.7Very high19 Ų1943.3 Ų43.320%0.19623%0.231CC..SBendtrans-88.4-174.4168.500000113S394 S481S394-G449 PolarHBondContact OG-N 2.87Å; S394-G449 VanDerWaalsContact OG-N 3.1Å; G449-S481 VanDerWaalsContact CA-O 3.26Å; G449-S481 WeakPolarHBondContact CA-O 3.48Å
450P93.9Very high95.5Very high94 Ų9443.8 Ų43.861%0.6123%0.234SC*.SBendcis-77129.8-4.130.5-31.7000111.1V480 E482P450-V480 WeakPolarHBondContact CA-O 3.31Å; P450-E482 HydrophobicContact CB-CB 4.23Å; P450-E482 HydrophobicContact CG-CB 4.36Å
451Q93.2Very high95.3Very high75 Ų7544 Ų4435%0.3524%0.235SC..EExtended strand (participates in β ladder)trans-157.2154.2173.861.8176.732.200112.7I447 V480I447-Q451 HydrophobicContact CG2-CG 4.16Å; Q451-V480 HydrophobicContact CG-CB 4.05Å; Q451-V480 HydrophobicContact CG-CG2 4.14Å; Q451-V480 PolarHBondContact N-O 2.05Å; Q451-V480 WeakPolarHBondContact O-CB 3.36Å; Q451-V480 PolarHBondContact O-N 3.29Å
452V95.3Very high94.9Very high85 Ų8545 Ų4552%0.51524%0.241SC..EExtended strand (participates in β ladder)trans-111.7124.3176.7-174.20000109.2T477 I478 Y479V452-T477 HydrophobicContact CG1-CG2 3.56Å; V452-I478 WeakPolarHBondContact CA-O 3.41Å; V452-Y479 HydrophobicContact CB-CD1 4.47Å; V452-Y479 HydrophobicContact CG1-CD1 4.06Å; V452-Y479 HydrophobicContact CG1-CE1 3.87Å; V452-Y479 HydrophobicContact CG2-CD1 3.66Å; V452-Y479 HydrophobicContact CG2-CE1 3.93Å
453L95.6Very high94.5Very high31 Ų3145 Ų4516%0.16224%0.241CC..EExtended strand (participates in β ladder)trans-111.9139.2179.8-60.7174.1000110F429 I447 T477 I478 V480F429-L453 HydrophobicContact CE2-CD1 3.96Å; F429-L453 HydrophobicContact CZ-CD1 3.79Å; I447-L453 HydrophobicContact CD1-CD1 3.7Å; I447-L453 HydrophobicContact CG2-CD1 4.32Å; L453-T477 CarbonylContact O-C 3.58Å; L453-T477 VanDerWaalsContact O-CA 3.32Å; L453-T477 WeakPolarHBondContact O-CA 3Å; L453-I478 HydrophobicContact CB-CB 4.34Å; L453-I478 PolarHBondContact N-O 3.21Å; L453-I478 PolarHBondContact O-N 2.99Å; L453-V480 HydrophobicContact CD1-CG2 4.29Å
454V97.1Very high94Very high69 Ų6950.7 Ų50.742%0.41827%0.271SS..EExtended strand (participates in β ladder)trans-122.2117.4176.4-176.90000108.6G423 R475 L476 T477G423-V454 VanDerWaalsContact CA-O 3.25Å; G423-V454 WeakPolarHBondContact CA-O 3.46Å; V454-R475 HydrophobicContact CG1-CG 3.86Å; V454-L476 WeakPolarHBondContact CA-O 3.47Å; V454-T477 HydrophobicContact CG2-CG2 4.28Å
455L97.6Very high93.4Very high0 Ų053.7 Ų53.70%029%0.289CS..EExtended strand (participates in β ladder)trans-112.7131179-60.4175.3000109.7G423 N424 F429 L441 L457 R475 L476 I478G423-L455 VanDerWaalsContact O-CD2 3.28Å; G423-L455 WeakPolarHBondContact O-CD2 3.38Å; N424-L455 HydrophobicContact CB-CD2 4.13Å; F429-L455 HydrophobicContact CD1-CD1 4.16Å; F429-L455 HydrophobicContact CD2-CD1 3.82Å; F429-L455 HydrophobicContact CD2-CD2 3.93Å; F429-L455 HydrophobicContact CD2-CG 4.48Å; F429-L455 HydrophobicContact CE1-CD1 4.21Å; F429-L455 HydrophobicContact CE2-CD1 3.89Å; F429-L455 HydrophobicContact CE2-CD2 4.09Å; F429-L455 HydrophobicContact CE2-CG 4.43Å; F429-L455 HydrophobicContact CG-CD1 3.95Å; F429-L455 HydrophobicContact CZ-CD1 4.08Å; L441-L455 HydrophobicContact CD2-CD1 3.7Å; L455-L457 HydrophobicContact CB-CD2 4.06Å; L455-L457 HydrophobicContact CB-CG 4.47Å; L455-R475 CarbonylContact O-C 3.55Å; L455-R475 WeakPolarHBondContact O-CA 3.42Å; L455-L476 PolarHBondContact N-O 2.78Å; L455-L476 PolarHBondContact O-N 2.81Å; L455-I478 HydrophobicContact CD1-CD1 3.83Å
456D97.6Very high92.9Very high17 Ų1752.3 Ų52.39%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-95.3108.8164.7-68.3-28.7000108.4K421 S422 I473 R475K421-D456 WeakPolarHBondContact CA-O 3.43Å; K421-D456 HydrophobicContact CB-CB 4.16Å; K421-D456 WeakPolarHBondContact CB-O 3.45Å; K421-D456 PolarHBondContact N-O 3.46Å; S422-D456 PolarHBondContact N-O 3.49Å; S422-D456 PolarHBondContact O-N 2.8Å; S422-D456 VanDerWaalsContact OG-CB 3.26Å; S422-D456 WeakPolarHBondContact OG-CB 3.33Å; S422-D456 VanDerWaalsContact OG-CG 3.27Å; S422-D456 PolarHBondContact OG-OD2 2.89Å; D456-I473 HydrophobicContact CB-CG2 3.93Å; D456-R475 IonicContact OD1-CZ 3.43Å; D456-R475 IonicContact OD1-NE 2.74Å; D456-R475 PolarHBondContact OD1-NE 3.46Å; D456-R475 IonicContact OD1-NH2 3.23Å; D456-R475 PolarHBondContact OD1-NH2 2.97Å; D456-R475 IonicContact OD2-CZ 3.89Å; D456-R475 IonicContact OD2-NE 3.9Å; D456-R475 IonicContact OD2-NH2 2.97Å; D456-R475 PolarHBondContact OD2-NH2 3.11Å
457L97.5Very high92.5Very high0 Ų055.8 Ų55.80%031%0.306CS..EExtended strand (participates in β ladder)trans-96.3121.4175.8-48.5178.9000108.9F403 M405 I420 L441 L455 I473 I474 L476F403-L457 HydrophobicContact CD1-CD1 3.85Å; F403-L457 HydrophobicContact CE1-CD1 4.11Å; M405-L457 HydrophobicContact CE-CB 3.82Å; M405-L457 HydrophobicContact CG-CD1 4.32Å; M405-L457 HydrophobicContact SD-CB 3.43Å; M405-L457 WeakPolarHBondContact SD-CB 3.12Å; M405-L457 HydrophobicContact SD-CD1 3.87Å; M405-L457 HydrophobicContact SD-CG 4.28Å; I420-L457 HydrophobicContact CB-CD2 4.49Å; I420-L457 HydrophobicContact CG1-CD2 3.95Å; I420-L457 HydrophobicContact CG2-CD2 4.32Å; L441-L457 HydrophobicContact CD1-CD2 3.93Å; L441-L457 HydrophobicContact CD2-CD1 4.26Å; L441-L457 HydrophobicContact CD2-CD2 4.42Å; L455-L457 HydrophobicContact CB-CD2 4.06Å; L455-L457 HydrophobicContact CB-CG 4.47Å; L457-I473 CarbonylContact O-C 3.57Å; L457-I473 VanDerWaalsContact O-CA 3.31Å; L457-I473 WeakPolarHBondContact O-CA 3.48Å; L457-I474 HydrophobicContact CB-CB 4.43Å; L457-I474 PolarHBondContact N-O 2.77Å; L457-I474 PolarHBondContact O-N 2.03Å; L457-L476 HydrophobicContact CD1-CB 4.46Å; L457-L476 HydrophobicContact CD1-CD2 4.15Å
458E96.6Very high92Very high18 Ų1859.1 Ų59.18%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-107.5130.2-174.7-173.9172.1-127.200111.2F418 Q419 K421 V460 S471 I473F418-E458 WeakPolarHBondContact CA-O 3.07Å; Q419-E458 HydrophobicContact CG-CB 4.02Å; Q419-E458 PolarHBondContact N-O 3.43Å; Q419-E458 PolarHBondContact NE2-OE2 2.92Å; Q419-E458 PolarHBondContact O-N 2.78Å; K421-E458 HydrophobicContact CB-CB 3.99Å; K421-E458 HydrophobicContact CD-CB 4.32Å; K421-E458 IonicContact NZ-OE1 2.83Å; K421-E458 PolarHBondContact NZ-OE1 3.29Å; E458-V460 HydrophobicContact CG-CG2 4.02Å; E458-S471 VanDerWaalsContact CD-OG 3.24Å; E458-S471 WeakPolarHBondContact CG-OG 3.35Å; E458-S471 PolarHBondContact OE1-OG 3.37Å; E458-I473 HydrophobicContact CB-CG1 4.48Å; E458-I473 HydrophobicContact CG-CG1 4.37Å
459M94.8Very high91.8Very high26 Ų2660 Ų6013%0.12832%0.318CS..EExtended strand (participates in β ladder)trans-108.2113.5167.7-179.1-176.571.800108.5M405 A407 Y416 I417 F418 S471 S472M405-M459 HydrophobicContact CE-CB 4.26Å; A407-M459 HydrophobicContact CB-CE 4.49Å; A407-M459 HydrophobicContact CB-SD 3.76Å; Y416-M459 HydrophobicContact CD1-CG 4.35Å; Y416-M459 HydrophobicContact CD1-SD 4.09Å; I417-M459 CarbonylContact O-C 3.6Å; I417-M459 WeakPolarHBondContact O-CA 3.02Å; F418-M459 HydrophobicContact CD1-CB 4.09Å; F418-M459 HydrophobicContact CD1-CG 3.97Å; F418-M459 HydrophobicContact CE1-CB 4.09Å; F418-M459 HydrophobicContact CE1-CG 3.56Å; F418-M459 HydrophobicContact CE1-SD 3.68Å; F418-M459 HydrophobicContact CZ-CG 4.15Å; F418-M459 HydrophobicContact CZ-SD 4.12Å; M459-S471 WeakPolarHBondContact O-CA 3.34Å; M459-S472 PolarHBondContact N-O 2.86Å; M459-S472 PolarHBondContact O-N 3.28Å
460V93.3Very high91.6Very high11 Ų1159.4 Ų59.47%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-95.8119.5173.9-175.10000108.8Y416 I417 E458 V462 R469 G470Y416-V460 WeakPolarHBondContact CA-O 3.48Å; I417-V460 HydrophobicContact CB-CB 4.25Å; I417-V460 PolarHBondContact N-O 3.33Å; I417-V460 PolarHBondContact O-N 3.49Å; E458-V460 HydrophobicContact CG-CG2 4.02Å; V460-V462 HydrophobicContact CG1-CG2 4.01Å; V460-R469 HydrophobicContact CG1-CG 4.29Å; V460-G470 CarbonylContact C-O 3.43Å; V460-G470 WeakPolarHBondContact CA-O 3.06Å
461T91.4Very high91.6Very high14 Ų1455.6 Ų55.69%0.08629%0.288CS..EExtended strand (participates in β ladder)trans-95.4124.1174.5-57.50000108.9A414 Y416 F468 R469 G470A414-T461 HydrophobicContact CB-CG2 4.49Å; Y416-T461 HydrophobicContact CD1-CG2 4.12Å; Y416-T461 WeakPolarHBondContact CD1-OG1 3.34Å; Y416-T461 HydrophobicContact CE1-CG2 3.63Å; T461-F468 HydrophobicContact CG2-CD1 4.46Å; T461-F468 HydrophobicContact CG2-CE1 4.23Å; T461-R469 WeakPolarHBondContact O-CA 3.21Å; T461-G470 PolarHBondContact N-O 2.89Å; T461-G470 PolarHBondContact O-N 2.92Å
462V90.2Very high91.6Very high19 Ų1953.6 Ų53.612%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-123.3126.5176.3-173.10000109A414 F415 I417 V460 F468 R469A414-V462 CarbonylContact C-O 3.52Å; A414-V462 VanDerWaalsContact CA-O 3.25Å; A414-V462 WeakPolarHBondContact CA-O 3.19Å; F415-V462 HydrophobicContact CD1-CB 4.2Å; F415-V462 HydrophobicContact CD1-CG1 4.5Å; F415-V462 HydrophobicContact CD2-CB 4.26Å; F415-V462 HydrophobicContact CE1-CB 3.69Å; F415-V462 HydrophobicContact CE1-CG1 3.59Å; F415-V462 HydrophobicContact CE2-CB 3.77Å; F415-V462 HydrophobicContact CE2-CG1 4.23Å; F415-V462 HydrophobicContact CE2-CG2 3.97Å; F415-V462 HydrophobicContact CG-CB 4.47Å; F415-V462 HydrophobicContact CZ-CB 3.46Å; F415-V462 VanDerWaalsContact CZ-CB 3.46Å; F415-V462 HydrophobicContact CZ-CG1 3.44Å; F415-V462 VanDerWaalsContact CZ-CG1 3.44Å; F415-V462 HydrophobicContact CZ-CG2 4.02Å; F415-V462 PolarHBondContact N-O 2.87Å; F415-V462 PolarHBondContact O-N 2.96Å; I417-V462 HydrophobicContact CD1-CG2 4.49Å; V460-V462 HydrophobicContact CG1-CG2 4.01Å; V462-F468 WeakPolarHBondContact CA-O 3.45Å; V462-R469 HydrophobicContact CG2-CG 4.38Å
463N88.4Confident91.6Very high8 Ų850.2 Ų50.24%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-128.8107172.3-170.6-28.5000109.9P412 A414 V465 I466 N467 F468P412-N463 PolarHBondContact O-ND2 3.02Å; A414-N463 HydrophobicContact CB-CB 4.04Å; N463-V465 VanDerWaalsContact C-N 3.29Å; N463-V465 PolarHBondContact O-N 2.91Å; N463-V465 WeakPolarHBondContact OD1-CB 3.29Å; N463-V465 PolarHBondContact OD1-N 3.36Å; N463-I466 HydrophobicContact CB-CD1 4.27Å; N463-I466 HydrophobicContact CB-CG1 3.83Å; N463-N467 WeakPolarHBondContact O-CA 3.32Å; N463-N467 PolarHBondContact O-N 3.36Å; N463-N467 VanDerWaalsContact O-N 3.13Å; N463-F468 HydrophobicContact CB-CB 4.35Å; N463-F468 PolarHBondContact N-O 2.78Å; N463-F468 PolarHBondContact O-N 2.77Å
464N86.1Confident91.7Very high119 Ų11949.9 Ų49.964%0.63626%0.26SS*.THydrogen-bonded Turntrans-72.6-22.2-177.1-65.5-17000113
465V85.4Confident91.8Very high120 Ų12050.2 Ų50.273%0.72725%0.253SS*.THydrogen-bonded Turntrans-68.4-39.9-178.7-176.80000110.9N463N463-V465 VanDerWaalsContact C-N 3.29Å; N463-V465 PolarHBondContact O-N 2.91Å; N463-V465 WeakPolarHBondContact OD1-CB 3.29Å; N463-V465 PolarHBondContact OD1-N 3.36Å
466I83.6Confident91.8Very high111 Ų11150.2 Ų50.257%0.56925%0.253SS*.THydrogen-bonded Turntrans-106.810.4-179.258.5166.6000112.8N463 F468N463-I466 HydrophobicContact CB-CD1 4.27Å; N463-I466 HydrophobicContact CB-CG1 3.83Å; I466-F468 HydrophobicContact CD1-CB 3.65Å; I466-F468 HydrophobicContact CD1-CG 4.32Å; I466-F468 HydrophobicContact CG1-CB 3.67Å; I466-F468 PolarHBondContact O-N 2.65Å
467N84.4Confident91.8Very high153 Ų15350.2 Ų50.282%0.81825%0.254SS*.THydrogen-bonded Turntrans4844.8-175.1-165.929.6000113.1N463N463-N467 WeakPolarHBondContact O-CA 3.32Å; N463-N467 PolarHBondContact O-N 3.36Å; N463-N467 VanDerWaalsContact O-N 3.13Å
468F85.1Confident91.7Very high77 Ų7750.2 Ų50.234%0.33825%0.254SS..EExtended strand (participates in β ladder)trans-103.8132.6-178.2177.6-96.4000110.6F383 T461 V462 N463 I466F383-F468 HydrophobicContact CD2-CZ 4.32Å; F383-F468 AromaticContact CE2-CE2 3.94Å; F383-F468 HydrophobicContact CE2-CE2 3.94Å; F383-F468 AromaticContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CZ-CE2 4.13Å; F383-F468 HydrophobicContact CZ-CZ 4.29Å; T461-F468 HydrophobicContact CG2-CD1 4.46Å; T461-F468 HydrophobicContact CG2-CE1 4.23Å; V462-F468 WeakPolarHBondContact CA-O 3.45Å; N463-F468 HydrophobicContact CB-CB 4.35Å; N463-F468 PolarHBondContact N-O 2.78Å; N463-F468 PolarHBondContact O-N 2.77Å; I466-F468 HydrophobicContact CD1-CB 3.65Å; I466-F468 HydrophobicContact CD1-CG 4.32Å; I466-F468 HydrophobicContact CG1-CB 3.67Å; I466-F468 PolarHBondContact O-N 2.65Å
469R88.5Confident91.7Very high193 Ų19350.3 Ų50.373%0.72825%0.254SS*.EExtended strand (participates in β ladder)trans-134125.3169-176.1174-176.2-179.50.3108.6V460 T461 V462V460-R469 HydrophobicContact CG1-CG 4.29Å; T461-R469 WeakPolarHBondContact O-CA 3.21Å; V462-R469 HydrophobicContact CG2-CG 4.38Å
470G88.7Confident91.7Very high7 Ų749.3 Ų49.37%0.07225%0.249CC..EExtended strand (participates in β ladder)trans-139158.5179.300000112.2V460 T461V460-G470 CarbonylContact C-O 3.43Å; V460-G470 WeakPolarHBondContact CA-O 3.06Å; T461-G470 PolarHBondContact N-O 2.89Å; T461-G470 PolarHBondContact O-N 2.92Å
471S92.5Very high91.8Very high15 Ų1549 Ų4911%0.10525%0.247CC..EExtended strand (participates in β ladder)trans-126.5139175.3171.90000110A382 F383 E458 M459A382-S471 CarbonylContact C-O 3.52Å; A382-S471 VanDerWaalsContact CA-O 3.29Å; A382-S471 WeakPolarHBondContact CA-O 3.25Å; F383-S471 PolarHBondContact N-O 3.15Å; E458-S471 VanDerWaalsContact CD-OG 3.24Å; E458-S471 WeakPolarHBondContact CG-OG 3.35Å; E458-S471 PolarHBondContact OE1-OG 3.37Å; M459-S471 WeakPolarHBondContact O-CA 3.34Å
472S93.9Very high91.9Very high33 Ų3354 Ų5423%0.23127%0.269CS..EExtended strand (participates in β ladder)trans-126.4138.1168.4-61.10000108.9T384 M459T384-S472 WeakPolarHBondContact O-CA 3.33Å; M459-S472 PolarHBondContact N-O 2.86Å; M459-S472 PolarHBondContact O-N 3.28Å
473I96.6Very high91.9Very high13 Ų1354.4 Ų54.47%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-114.1136.3-176.7-63.9171.7000109.4A382 T384 I385 L386 K421 D456 L457 E458A382-I473 HydrophobicContact CB-CD1 3.58Å; A382-I473 HydrophobicContact CB-CG1 3.75Å; T384-I473 PolarHBondContact O-N 3.49Å; I385-I473 CarbonylContact C-O 3.54Å; I385-I473 WeakPolarHBondContact CA-O 3.21Å; I385-I473 HydrophobicContact CG1-CB 4.44Å; L386-I473 PolarHBondContact N-O 2.91Å; K421-I473 HydrophobicContact CD-CD1 3.89Å; K421-I473 HydrophobicContact CD-CG1 4.44Å; D456-I473 HydrophobicContact CB-CG2 3.93Å; L457-I473 CarbonylContact O-C 3.57Å; L457-I473 VanDerWaalsContact O-CA 3.31Å; L457-I473 WeakPolarHBondContact O-CA 3.48Å; E458-I473 HydrophobicContact CB-CG1 4.48Å; E458-I473 HydrophobicContact CG-CG1 4.37Å
474I97.4Very high91.6Very high25 Ų2558.3 Ų58.313%0.12830%0.296CS..EExtended strand (participates in β ladder)trans-103.7115.5160.6-60.4-176.8000107.1L386 R388 F403 M405 L457 L476L386-I474 HydrophobicContact CB-CG1 4.27Å; L386-I474 HydrophobicContact CD2-CD1 4.27Å; L386-I474 HydrophobicContact CD2-CG1 4.22Å; L386-I474 CarbonylContact O-C 3.5Å; L386-I474 VanDerWaalsContact O-CA 3.29Å; L386-I474 WeakPolarHBondContact O-CA 3.46Å; R388-I474 HydrophobicContact CB-CG2 4.29Å; R388-I474 HydrophobicContact CG-CG2 4.06Å; F403-I474 HydrophobicContact CE1-CD1 4.08Å; F403-I474 HydrophobicContact CE1-CG2 4.25Å; F403-I474 HydrophobicContact CZ-CD1 4.29Å; F403-I474 HydrophobicContact CZ-CG2 4.11Å; M405-I474 HydrophobicContact CE-CB 4.21Å; M405-I474 HydrophobicContact CE-CD1 3.71Å; M405-I474 HydrophobicContact CE-CG1 3.83Å; M405-I474 HydrophobicContact CG-CD1 4.08Å; L457-I474 HydrophobicContact CB-CB 4.43Å; L457-I474 PolarHBondContact N-O 2.77Å; L457-I474 PolarHBondContact O-N 2.03Å; I474-L476 HydrophobicContact CG2-CB 4.49Å; I474-L476 PolarHBondContact O-N 3.01Å
475R97.5Very high91Very high75 Ų7555.6 Ų55.628%0.28328%0.279SS..EExtended strand (participates in β ladder)trans-87.7100.3169.8-179.2160.5-71.3166.3-2.5108.1I385 L386 Y387 R388 V454 L455 D456I385-R475 HydrophobicContact CG2-CB 4.32Å; L386-R475 PolarHBondContact O-N 2.73Å; Y387-R475 HydrophobicContact CD1-CB 4.16Å; Y387-R475 HydrophobicContact CD1-CG 4.23Å; Y387-R475 HydrophobicContact CE1-CB 4.35Å; Y387-R475 HydrophobicContact CE1-CG 4.31Å; R388-R475 PolarHBondContact N-O 3.14Å; V454-R475 HydrophobicContact CG1-CG 3.86Å; L455-R475 CarbonylContact O-C 3.55Å; L455-R475 WeakPolarHBondContact O-CA 3.42Å; D456-R475 IonicContact OD1-CZ 3.43Å; D456-R475 IonicContact OD1-NE 2.74Å; D456-R475 PolarHBondContact OD1-NE 3.46Å; D456-R475 IonicContact OD1-NH2 3.23Å; D456-R475 PolarHBondContact OD1-NH2 2.97Å; D456-R475 IonicContact OD2-CZ 3.89Å; D456-R475 IonicContact OD2-NE 3.9Å; D456-R475 IonicContact OD2-NH2 2.97Å; D456-R475 PolarHBondContact OD2-NH2 3.11Å
476L97.6Very high91.3Very high0 Ų052.4 Ų52.40%026%0.256CS..EExtended strand (participates in β ladder)trans-96.8117.9-177.2-177.364.3000109.5R388 M390 F403 L441 V454 L455 L457 I474 I478R388-L476 HydrophobicContact CB-CD1 3.8Å; R388-L476 CarbonylContact O-C 3.32Å; R388-L476 WeakPolarHBondContact O-CA 3.26Å; M390-L476 HydrophobicContact CG-CD1 3.91Å; M390-L476 HydrophobicContact CG-CG 4.4Å; M390-L476 HydrophobicContact SD-CD1 3.94Å; M390-L476 HydrophobicContact SD-CD2 3.83Å; M390-L476 HydrophobicContact SD-CG 4.2Å; F403-L476 HydrophobicContact CB-CD2 4.03Å; F403-L476 HydrophobicContact CD1-CD2 4.19Å; F403-L476 HydrophobicContact CD2-CD1 3.93Å; F403-L476 HydrophobicContact CD2-CD2 3.97Å; F403-L476 HydrophobicContact CE2-CD1 3.85Å; F403-L476 HydrophobicContact CG-CD2 3.8Å; F403-L476 HydrophobicContact CZ-CD1 4.41Å; L441-L476 HydrophobicContact CD2-CD2 3.97Å; V454-L476 WeakPolarHBondContact CA-O 3.47Å; L455-L476 PolarHBondContact N-O 2.78Å; L455-L476 PolarHBondContact O-N 2.81Å; L457-L476 HydrophobicContact CD1-CB 4.46Å; L457-L476 HydrophobicContact CD1-CD2 4.15Å; I474-L476 HydrophobicContact CG2-CB 4.49Å; I474-L476 PolarHBondContact O-N 3.01Å; L476-I478 HydrophobicContact CD2-CD1 4.07Å; L476-I478 HydrophobicContact CD2-CG1 4.12Å; L476-I478 HydrophobicContact CG-CD1 4.41Å; L476-I478 HydrophobicContact CG-CG1 3.94Å
477T97.5Very high91.7Very high17 Ų1749.3 Ų49.310%0.10424%0.24CC..EExtended strand (participates in β ladder)trans-98.4122.1171.1-50.90000108.6R388 H389 M390 V452 L453 V454 Y479R388-T477 PolarHBondContact O-N 3.41Å; H389-T477 CarbonylContact C-O 3.52Å; H389-T477 WeakPolarHBondContact CA-O 3.44Å; H389-T477 WeakPolarHBondContact ND1-CB 3.46Å; M390-T477 PolarHBondContact N-O 2.64Å; V452-T477 HydrophobicContact CG1-CG2 3.56Å; L453-T477 CarbonylContact O-C 3.58Å; L453-T477 VanDerWaalsContact O-CA 3.32Å; L453-T477 WeakPolarHBondContact O-CA 3Å; V454-T477 HydrophobicContact CG2-CG2 4.28Å; T477-Y479 HydrophobicContact CG2-CD2 4.44Å; T477-Y479 HydrophobicContact CG2-CE1 4.28Å; T477-Y479 HydrophobicContact CG2-CE2 3.78Å
478I96.5Very high92.1Very high0 Ų043.6 Ų43.60%021%0.207CC..EExtended strand (participates in β ladder)trans-111.7119.7-179-51177.7000107.9M390 L392 I402 F429 V452 L453 L455 L476 V480M390-I478 HydrophobicContact CG-CB 4.25Å; M390-I478 HydrophobicContact CG-CG1 3.82Å; M390-I478 HydrophobicContact CG-CG2 4.18Å; M390-I478 WeakPolarHBondContact O-CA 3.48Å; M390-I478 HydrophobicContact SD-CD1 4.28Å; M390-I478 HydrophobicContact SD-CG1 4Å; L392-I478 HydrophobicContact CB-CG2 3.72Å; L392-I478 HydrophobicContact CD2-CG2 4.18Å; I402-I478 HydrophobicContact CD1-CD1 4.27Å; F429-I478 HydrophobicContact CE1-CD1 3.99Å; F429-I478 HydrophobicContact CZ-CD1 3.97Å; V452-I478 WeakPolarHBondContact CA-O 3.41Å; L453-I478 HydrophobicContact CB-CB 4.34Å; L453-I478 PolarHBondContact N-O 3.21Å; L453-I478 PolarHBondContact O-N 2.99Å; L455-I478 HydrophobicContact CD1-CD1 3.83Å; L476-I478 HydrophobicContact CD2-CD1 4.07Å; L476-I478 HydrophobicContact CD2-CG1 4.12Å; L476-I478 HydrophobicContact CG-CD1 4.41Å; L476-I478 HydrophobicContact CG-CG1 3.94Å; I478-V480 HydrophobicContact CG2-CG2 4.22Å
479Y96.6Very high92.6Very high21 Ų2141.6 Ų41.68%0.08220%0.2CC..EExtended strand (participates in β ladder)trans-93.7110.7173.2-60.3-87.7000108.3F343 F345 T350 H389 M390 D391 L392 V452 T477F343-Y479 AromaticContact CD1-CD2 3.86Å; F343-Y479 HydrophobicContact CD1-CD2 3.86Å; F343-Y479 AromaticContact CD1-CE2 3.71Å; F343-Y479 HydrophobicContact CD1-CE2 3.71Å; F343-Y479 AromaticContact CE1-CD2 3.39Å; F343-Y479 HydrophobicContact CE1-CD2 3.39Å; F343-Y479 AromaticContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CG 4.3Å; F343-Y479 HydrophobicContact CZ-CD2 4.36Å; F345-Y479 HydrophobicContact CD1-CD1 4.13Å; F345-Y479 HydrophobicContact CD1-CD2 4.43Å; F345-Y479 AromaticContact CD1-CG 3.93Å; F345-Y479 HydrophobicContact CD1-CG 3.93Å; F345-Y479 AromaticContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CG 4.2Å; F345-Y479 HydrophobicContact CG-CG 4.23Å; F345-Y479 HydrophobicContact CZ-CD1 4.38Å; T350-Y479 HydrophobicContact CG2-CE1 3.81Å; T350-Y479 HydrophobicContact CG2-CE2 4.24Å; H389-Y479 HydrophobicContact CB-CE2 4.13Å; H389-Y479 AromaticContact ND1-CE2 3.71Å; H389-Y479 PolarHBondContact ND1-OH 2.68Å; M390-Y479 PolarHBondContact O-N 3.02Å; D391-Y479 CarbonylContact C-O 3.59Å; D391-Y479 WeakPolarHBondContact CA-O 3.24Å; L392-Y479 PolarHBondContact N-O 3.18Å; V452-Y479 HydrophobicContact CB-CD1 4.47Å; V452-Y479 HydrophobicContact CG1-CD1 4.06Å; V452-Y479 HydrophobicContact CG1-CE1 3.87Å; V452-Y479 HydrophobicContact CG2-CD1 3.66Å; V452-Y479 HydrophobicContact CG2-CE1 3.93Å; T477-Y479 HydrophobicContact CG2-CD2 4.44Å; T477-Y479 HydrophobicContact CG2-CE1 4.28Å; T477-Y479 HydrophobicContact CG2-CE2 3.78Å
480V95.3Very high92.8Very high5 Ų532.1 Ų32.13%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-93119.9178.4-170.80000108.7L392 I447 P450 Q451 L453 I478L392-V480 HydrophobicContact CB-CG2 4.46Å; L392-V480 HydrophobicContact CD2-CG2 4.35Å; L392-V480 VanDerWaalsContact O-CA 3.27Å; L392-V480 WeakPolarHBondContact O-CA 3.42Å; I447-V480 HydrophobicContact CG2-CB 4.5Å; I447-V480 HydrophobicContact CG2-CG1 4.09Å; I447-V480 HydrophobicContact CG2-CG2 4.02Å; P450-V480 WeakPolarHBondContact CA-O 3.31Å; Q451-V480 HydrophobicContact CG-CB 4.05Å; Q451-V480 HydrophobicContact CG-CG2 4.14Å; Q451-V480 PolarHBondContact N-O 2.05Å; Q451-V480 WeakPolarHBondContact O-CB 3.36Å; Q451-V480 PolarHBondContact O-N 3.29Å; L453-V480 HydrophobicContact CD1-CG2 4.29Å; I478-V480 HydrophobicContact CG2-CG2 4.22Å
481S94.4Very high93.1Very high3 Ų333.8 Ų33.82%0.02117%0.173CC..  trans-65.1158.8179.964.30000111.7Q346 L392 S393 S394 G449 H483Q346-S481 WeakPolarHBondContact O-CB 3.2Å; L392-S481 PolarHBondContact O-N 2.84Å; S393-S481 WeakPolarHBondContact CA-OG 3.15Å; S394-S481 WeakPolarHBondContact CB-O 3.4Å; S394-S481 PolarHBondContact N-OG 3.13Å; S394-S481 VanDerWaalsContact N-OG 3.1Å; S394-S481 PolarHBondContact OG-O 3.38Å; G449-S481 VanDerWaalsContact CA-O 3.26Å; G449-S481 WeakPolarHBondContact CA-O 3.48Å; S481-H483 PolarHBondContact OG-O 2.88Å
482E93.3Very high93.1Very high119 Ų11935.1 Ų35.156%0.55618%0.178SC*.SBendtrans-67.4-39.4175.8-179.2167.2-179.300111.6S394 P450S394-E482 WeakPolarHBondContact CB-O 3.27Å; S394-E482 PolarHBondContact OG-O 3.38Å; S394-E482 VanDerWaalsContact OG-O 3.11Å; P450-E482 HydrophobicContact CB-CB 4.23Å; P450-E482 HydrophobicContact CG-CB 4.36Å
483H90.4Very high93.1Very high29 Ų2935.3 Ų35.313%0.13417%0.174CC..SBendtrans-109.1153.1-171-58.7-55.2000113.3F297 P311 S394 S481 F485F297-H483 AromaticContact CE2-CE1 3.76Å; F297-H483 AromaticContact CE2-ND1 3.75Å; F297-H483 AromaticContact CZ-CE1 3.89Å; P311-H483 VanDerWaalsContact CB-CD2 3.43Å; P311-H483 WeakPolarHBondContact CB-CD2 3.08Å; P311-H483 WeakPolarHBondContact CB-NE2 3.37Å; P311-H483 WeakPolarHBondContact CG-CD2 3.42Å; S394-H483 VanDerWaalsContact CB-C 3.47Å; S394-H483 WeakPolarHBondContact CB-O 3.5Å; S394-H483 PolarHBondContact N-O 2.89Å; S481-H483 PolarHBondContact OG-O 2.88Å; H483-F485 VanDerWaalsContact C-N 3.32Å; H483-F485 HydrophobicContact CB-CD2 3.61Å; H483-F485 HydrophobicContact CB-CE1 4.45Å; H483-F485 HydrophobicContact CB-CE2 3.17Å; H483-F485 HydrophobicContact CB-CG 4.41Å; H483-F485 HydrophobicContact CB-CZ 3.66Å; H483-F485 AromaticContact CG-CE2 3.78Å; H483-F485 PolarHBondContact O-N 3.39Å
484P82.8Confident92.8Very high89 Ų8937.2 Ų37.258%0.57818%0.183SC*.  trans-87.918.6-16636.4-38.5000116.2S394S394-P484 WeakPolarHBondContact O-CA 3.1Å; S394-P484 WeakPolarHBondContact O-CB 3.49Å
485F73.9Confident92.3Very high63 Ų6338.3 Ų38.328%0.27619%0.188SC..  trans-63.40-169.8-51.8-53.5000114.9Q296 F297 P311 Y314 S393 H483Q296-F485 HydrophobicContact CG-CD1 3.63Å; Q296-F485 HydrophobicContact CG-CE1 3.98Å; Q296-F485 WeakPolarHBondContact O-CE1 3.45Å; F297-F485 HydrophobicContact CB-CE1 3.88Å; F297-F485 HydrophobicContact CB-CZ 3.64Å; F297-F485 HydrophobicContact CD2-CE1 4.02Å; F297-F485 AromaticContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CD2-CZ 3.47Å; F297-F485 VanDerWaalsContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CE2-CZ 4.33Å; F297-F485 HydrophobicContact CG-CE1 4.38Å; F297-F485 AromaticContact CG-CZ 3.8Å; F297-F485 HydrophobicContact CG-CZ 3.8Å; P311-F485 HydrophobicContact CG-CE2 3.5Å; P311-F485 HydrophobicContact CG-CZ 3.77Å; Y314-F485 HydrophobicContact CD1-CD2 4.41Å; Y314-F485 AromaticContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CE2 4.4Å; Y314-F485 HydrophobicContact CE2-CD2 4.35Å; Y314-F485 HydrophobicContact CE2-CE2 4.26Å; Y314-F485 AromaticContact CZ-CD2 3.81Å; S393-F485 VanDerWaalsContact CB-O 3.26Å; S393-F485 WeakPolarHBondContact CB-O 3.31Å; S393-F485 PolarHBondContact OG-O 2.89Å; H483-F485 VanDerWaalsContact C-N 3.32Å; H483-F485 HydrophobicContact CB-CD2 3.61Å; H483-F485 HydrophobicContact CB-CE1 4.45Å; H483-F485 HydrophobicContact CB-CE2 3.17Å; H483-F485 HydrophobicContact CB-CG 4.41Å; H483-F485 HydrophobicContact CB-CZ 3.66Å; H483-F485 AromaticContact CG-CE2 3.78Å; H483-F485 PolarHBondContact O-N 3.39Å

Retrieved 485 of 485 residues in 1085 ms (Link to these results)