A0A096N9F0_PAPAN Loading...

Fibroblast growth factor

Plays an important role in the regulation of cell proliferation and cell differentiation. Required for normal regulation of the hair growth cycle. Functions as an inhibitor of hair elongation by promoting progression from anagen, the growth phase of the hair follicle, into catagen the apoptosis-induced regression phase.

AlphaFold DB (A0A2K5WFA0), UniProt , Accession A0A096N9F0, Species PAPAN (Papio anubis, Olive baboon), Gene FGF5, Length 268 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
1M52.9Low67.3Low237 Ų237125.9 Ų125.9100%1.16765%0.645SS**  0112.30-66-57.9150.500107.4
2S68.1Low66.9Low82 Ų82120.4 Ų120.457%0.57363%0.626SS**  trans-66.4138.8-164.1179.80000112.6S4 F5S2-S4 PolarHBondContact O-N 3.14Å; S2-F5 PolarHBondContact O-N 2.8Å
3L66.1Low66.3Low144 Ų144120.4 Ų120.475%0.75462%0.621SS**Hα-helixtrans-51.2-26.5178.7-129.380.1000113F5 L6 L7L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 2.85Å; L3-L6 PolarHBondContact O-N 2.87Å; L3-L7 PolarHBondContact O-N 3.03Å
4S71.4Confident66Low77 Ų77120.5 Ų120.554%0.53862%0.622SS.*Hα-helixtrans-63.8-29.8176.5-53.80000113.8S2 L8S2-S4 PolarHBondContact O-N 3.14Å; S4-L8 PolarHBondContact O-N 2.86Å
5F70.8Confident65.5Low152 Ų152120.7 Ų120.767%0.66762%0.623SS**Hα-helixtrans-76.2-31.7-179.4-126.3-89.6000112.1S2 L3 L9S2-F5 PolarHBondContact O-N 2.8Å; L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 2.85Å; F5-L9 PolarHBondContact O-N 2.88Å
6L70.7Confident64.6Low105 Ų105121.3 Ų121.355%0.5563%0.627SS.*Hα-helixtrans-69.5-40.7177.1-148.982.8000110.9L3 L8 L9 F10L3-L6 PolarHBondContact O-N 2.87Å; L6-L8 PolarHBondContact O-N 2.74Å; L6-L9 PolarHBondContact O-N 2.8Å; L6-F10 HydrophobicContact CD2-CE2 3.8Å; L6-F10 HydrophobicContact CG-CD2 4.26Å; L6-F10 HydrophobicContact CG-CE2 3.79Å; L6-F10 WeakPolarHBondContact O-CD2 3.27Å; L6-F10 PolarHBondContact O-N 2.92Å; L6-F10 VanDerWaalsContact O-N 3.11Å
7L69.4Low63.7Low99 Ų99120.9 Ų120.952%0.51863%0.626SS.*Hα-helixtrans-63.3-38.7177.7-109.9137000112.9L3 F10 F11L3-L7 PolarHBondContact O-N 3.03Å; L7-F10 PolarHBondContact O-N 2.67Å; L7-F11 HydrophobicContact CD2-CD2 4.29Å; L7-F11 HydrophobicContact CD2-CE2 4.04Å; L7-F11 WeakPolarHBondContact O-CD2 3.28Å; L7-F11 PolarHBondContact O-N 2.74Å; L7-F11 VanDerWaalsContact O-N 3.1Å
8L70.2Confident62.9Low121 Ų121119.1 Ų119.163%0.63463%0.632SS**Hα-helixtrans-68.1-34.6176.8-71.6172.5000112.5S4 L6 S12S4-L8 PolarHBondContact O-N 2.86Å; L6-L8 PolarHBondContact O-N 2.74Å; L8-S12 PolarHBondContact O-N 2.78Å; L8-S12 VanDerWaalsContact O-N 3.14Å
9L70.1Confident62.1Low97 Ų97125.9 Ų125.951%0.50865%0.648SS.*Hα-helixtrans-68.4-39.8174.5-71.9170.3000111.8F5 L6 S12 H13F5-L9 PolarHBondContact O-N 2.88Å; L6-L9 PolarHBondContact O-N 2.8Å; L9-S12 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-OG 3.18Å; L9-H13 PolarHBondContact O-N 2.76Å
10F67.4Low61.6Low144 Ų144123.3 Ų123.363%0.63265%0.646SS**Hα-helixtrans-65.2-40.3175.8-78.9-66.7000113.2L6 L7 S12 H13 L14L6-F10 HydrophobicContact CD2-CE2 3.8Å; L6-F10 HydrophobicContact CG-CD2 4.26Å; L6-F10 HydrophobicContact CG-CE2 3.79Å; L6-F10 WeakPolarHBondContact O-CD2 3.27Å; L6-F10 PolarHBondContact O-N 2.92Å; L6-F10 VanDerWaalsContact O-N 3.11Å; L7-F10 PolarHBondContact O-N 2.67Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 2.96Å; F10-H13 PolarHBondContact O-N 3.27Å; F10-L14 PolarHBondContact O-N 2.92Å
11F63.2Low60.8Low127 Ų127126.5 Ų126.556%0.55766%0.658SS**Hα-helixtrans-67-32175.2-93.2-80.7000112.9L7 L14 I15L7-F11 HydrophobicContact CD2-CD2 4.29Å; L7-F11 HydrophobicContact CD2-CE2 4.04Å; L7-F11 WeakPolarHBondContact O-CD2 3.28Å; L7-F11 PolarHBondContact O-N 2.74Å; L7-F11 VanDerWaalsContact O-N 3.1Å; F11-L14 PolarHBondContact O-N 2.87Å; F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.39Å
12S62Low60.2Low60 Ų60119.1 Ų119.142%0.4264%0.642SS.*Hα-helixtrans-68.5-36.4177.175.50000113.1L8 L9 F10 L16L8-S12 PolarHBondContact O-N 2.78Å; L8-S12 VanDerWaalsContact O-N 3.14Å; L9-S12 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-OG 3.18Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 2.96Å; S12-L16 PolarHBondContact O-N 2.63Å
13H59.8Low59Low120 Ų120122 Ų12256%0.55665%0.646SS**Hα-helixtrans-73.4-31.1176.9-91.4-69.7000113.3L9 F10 I15 L16 N17L9-H13 PolarHBondContact O-N 2.76Å; F10-H13 PolarHBondContact O-N 3.27Å; H13-I15 VanDerWaalsContact C-N 3.35Å; H13-L16 PolarHBondContact O-N 2.91Å; H13-N17 PolarHBondContact O-N 2.7Å; H13-N17 PolarHBondContact O-ND2 3.34Å
14L61.4Low57.7Low122 Ų122123.2 Ų123.264%0.63965%0.645SS**Hα-helixtrans-69.8-32.6179.1-161.568.3000112.5F10 F11F10-L14 PolarHBondContact O-N 2.92Å; F11-L14 PolarHBondContact O-N 2.87Å
15I58.9Low56.1Low124 Ų124130.2 Ų130.264%0.63666%0.66SS**Hα-helixtrans-77.9-28.8179.6-62168.2000111.5F11 H13F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.39Å; H13-I15 VanDerWaalsContact C-N 3.35Å
16L51.9Low54.5Low130 Ų130130.8 Ų130.868%0.68167%0.669SS**Hα-helixtrans-75.8-31.1179-14173.8000112.8S12 H13 A18S12-L16 PolarHBondContact O-N 2.63Å; H13-L16 PolarHBondContact O-N 2.91Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.18Å
17N48.6Very low53.1Low114 Ų114132 Ų13261%0.6168%0.68SS**Hα-helixtrans-76.7-17.6179.9-69.9-20.1000113.7H13 W19H13-N17 PolarHBondContact O-N 2.7Å; H13-N17 PolarHBondContact O-ND2 3.34Å; N17-W19 VanDerWaalsContact C-N 3.3Å; N17-W19 PolarHBondContact O-N 3.17Å
18A48.8Very low52.2Low89 Ų89132.5 Ų132.574%0.73669%0.69SS**THydrogen-bonded Turntrans-79-8.3178.600000114L16L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.18Å
19W48.5Very low50.4Low248 Ų248136.2 Ų136.294%0.93970%0.701SS**THydrogen-bonded Turntrans-104.63.8-179.2-153.938.6000114N17N17-W19 VanDerWaalsContact C-N 3.3Å; N17-W19 PolarHBondContact O-N 3.17Å
20A50.8Low48.5Very low74 Ų74135.7 Ų135.761%0.61272%0.718SS**SBendtrans-108.92.4-171.300000115.9
21H45.1Very low47.2Very low191 Ų191137.1 Ų137.188%0.88473%0.727SS**  trans-124.197.8174.1-94-82.5000112
22G41.8Very low45.7Very low81 Ų81139.4 Ų139.484%0.83574%0.744SS**  trans-168.151172.900000110.6
23E42.5Very low44.1Very low144 Ų144139.8 Ų139.867%0.67376%0.758SS**  trans-99.5137.2175.6-91-161.2145.100111.7
24K38.4Very low44.2Very low168 Ų168140.4 Ų140.473%0.7377%0.772SS**  trans63.6148.9138.5-60.9168-176.1158.80116.8
25R38.5Very low42.9Very low225 Ų225139.5 Ų139.585%0.84978%0.783SS**  cis177.5148.4-6.3171.7-177.8-170.2-1713.7102.1
26L35.5Very low41.9Very low163 Ų163138 Ų13885%0.85379%0.789SS**  trans165134.7136.6-86.1159.5000113.5
27V42.3Very low41.3Very low130 Ų130138.7 Ų138.779%0.78880%0.799SS**  trans-125.3140.2163.6162.90000102.9
28P50.1Low40.6Very low110 Ų110140.5 Ų140.571%0.71481%0.808SS**  -158.1161.593.439-16.7000119.9
29K33.4Very low40.1Very low200 Ų200147.6 Ų147.687%0.8782%0.816SS**  trans71120.1142.1-96.9-178.4171179.80121.8
30G30.6Very low39.7Very low85 Ų85143.4 Ų143.488%0.87681%0.812SS**  trans-169.3113.6149.500000109.7
31Q38.2Very low39.6Very low174 Ų174145.8 Ų145.881%0.81382%0.821SS**  trans-122.4140-171.4177.3179.716.500108.6
32L31.9Very low39.3Very low175 Ų175148.7 Ų148.792%0.91682%0.824SS**  trans171.2126.2143.9-94.8146.5000110.7
33G30Very low38.8Very low69 Ų69148.6 Ų148.671%0.71182%0.823SS**  trans-92.7-139.6168.600000111.2
34P60.7Low38.6Very low132 Ų132147.1 Ų147.186%0.85783%0.829SS**  -127.4170.4-52.138-24.2000111.6
35A34.4Very low38.5Very low103 Ų103145 Ų14585%0.85184%0.836SS**  trans-166.4126.915300000112.7
36A37.1Very low38.3Very low93 Ų93139.1 Ų139.177%0.76983%0.829SS**  trans-80.1154.2168.900000111.3
37T39.4Very low38.2Very low145 Ų145141.7 Ų141.789%0.8983%0.827SS**  trans-161120.71450.20000111.4
38D34.3Very low37.8Very low151 Ų151144 Ų14481%0.80783%0.829SS**  trans-49147.6158-81.9-58.2000112.5
39R39.6Very low37.1Very low239 Ų239144.4 Ų144.490%0.90284%0.835SS**  175.8117.2122.8-95.5165.5-175.4-174.62.3111.8
40N38.4Very low37.2Very low159 Ų159140.1 Ų140.185%0.8583%0.83SS**  trans-64.1154.2148.8-96-41.5000109.7
41P49.9Very low37.3Very low124 Ų124141 Ų14181%0.80582%0.823SS**  -139.4156.3111.332-15.9000115.1
42R38.1Very low37.2Very low252 Ų252137.8 Ų137.895%0.95182%0.82SS**  trans-69141.4174.4-156.3179.9-162.2-168.34110.4
43G32.6Very low37.3Very low79 Ų79134.2 Ų134.281%0.81482%0.815SS**  trans-169.4103171.500000112.8
44S37.9Very low37.6Very low114 Ų114139.4 Ų139.480%0.79782%0.823SS**  trans-72.3141.8173.145.90000113
45S35.4Very low36.4Very low124 Ų124138.5 Ų138.587%0.86782%0.82SS**  177.8141.9126.536.20000113.1
46S34.8Very low36.5Very low100 Ų100139.2 Ų139.270%0.69982%0.819SS**  trans-59.6152.5174.652.60000115.5
47R34.1Very low36.5Very low217 Ų217140.5 Ų140.582%0.81982%0.822SS**  179.7122.4115-96.7167.6-178.8-164.6-0.1113
48Q33.4Very low36.4Very low179 Ų179139.5 Ų139.584%0.83682%0.821SS**  trans45.2119.7134.3-67.2171.4-12.800120.8
49S35.4Very low36.6Very low118 Ų118137 Ų13783%0.82582%0.822SS**  -157.7114.9126.934.20000111.3
50S34.1Very low36.4Very low110 Ų110131 Ų13177%0.76982%0.816SS**  trans-50.1162151.745.80000111.1
51S34.6Very low36.3Very low104 Ų104128.4 Ų128.473%0.72781%0.811SS**  cis176.4141.33.1410000104.4
52S35Very low35.9Very low107 Ų107128.3 Ų128.375%0.74881%0.813SS**  trans176104.4136.652.10000109.9
53A33.5Very low36.3Very low100 Ų100122.6 Ų122.683%0.82681%0.808SS**  trans-75.4142162.300000109.3
54M37.3Very low36.4Very low177 Ų177123.6 Ų123.687%0.87281%0.809SS**  trans-137.9107.7156.654.3-171.5125.400108.5
55S36Very low36.4Very low113 Ų113123.2 Ų123.279%0.7981%0.812SS**  trans-80.9138.2168.7-25.20000108.3
56S35.9Very low36.6Very low119 Ų119123.1 Ų123.183%0.83281%0.812SS**  trans-160.8116.5141.746.60000110.5
57S37.6Very low36.7Very low120 Ų120127 Ų12784%0.83982%0.824SS**  trans-80.7142.6160.740.30000109.3
58S37.1Very low36.8Very low123 Ų123120.5 Ų120.586%0.8682%0.824SS**  trans-162.3139.8149.241.10000110.7
59A37.6Very low37.2Very low100 Ų100117.2 Ų117.283%0.82682%0.821SS**  trans-92.1152.6-174.800000111.6
60S34.6Very low37.3Very low113 Ų113120.4 Ų120.479%0.7982%0.823SS**  trans175.8144.6157.854.20000107.1
61S36.8Very low37.2Very low104 Ų104118.6 Ų118.673%0.72782%0.822SS**  cis178.31312.639.30000104.8
62S41.2Very low37.2Very low122 Ų122119.3 Ų119.385%0.85383%0.826SS**PPolyproline II helixtrans-78.2139.3166.8-560000109.6
63P48.2Very low37.6Very low132 Ų132118.1 Ų118.186%0.85783%0.831SS**PPolyproline II helixtrans-90.2130.8167.131.4-24.7000110.6
64A33Very low37.9Very low99 Ų99120.1 Ų120.182%0.81883%0.827SS**PPolyproline II helixtrans-83.1167.2172.800000111.7
65A37.9Very low38.4Very low106 Ų106121 Ų12188%0.87683%0.829SS**PPolyproline II helixtrans-56.1152-177.800000115.1
66S41.1Very low38.6Very low122 Ų122123.1 Ų123.185%0.85383%0.826SS**  trans-127.7118.8157.2580000110.1
67L36.4Very low39Very low183 Ų183121.6 Ų121.696%0.95882%0.816SS**  trans-78.3136.8169.7-15382.8000108.8
68G35.5Very low39Very low80 Ų80120.9 Ų120.983%0.82581%0.811SS**  trans-157124.6170.900000109.4
69S41.5Very low39.3Very low110 Ų110123.3 Ų123.377%0.76981%0.806SS**  trans-113.6155.8-169.3-173.50000111.5
70Q37.3Very low39.2Very low185 Ų185126.5 Ų126.586%0.86480%0.804SS**  trans100.1103.9159.5-56.2-1113700118.3
71G32.5Very low39.3Very low72 Ų72132.6 Ų132.674%0.74281%0.81SS**  99.499.1113.200000118.8
72S34.3Very low39.8Very low118 Ų118131.8 Ų131.883%0.82580%0.804SS**  trans175.3126.7130.458.60000109.8
73G44.4Very low40.2Very low82 Ų82132.5 Ų132.585%0.84581%0.806SS**  trans-65.4132.7-178.500000113.5
74L39Very low40.6Very low142 Ų142129.3 Ų129.374%0.74379%0.787SS**  trans-143.9112.1153.6-105.7138.3000105.9Q76L74-Q76 PolarHBondContact O-N 2.94Å
75E49.1Very low42.4Very low196 Ų196127.3 Ų127.392%0.91678%0.776SS**  trans-53.692162.2-100.4-88.5128.800107.9
76Q39.3Very low44.6Very low157 Ų157128.2 Ų128.273%0.73476%0.757SS**  trans-118.1114.2162.1-97.5168.51.200105.5L74 S78L74-Q76 PolarHBondContact O-N 2.94Å; Q76-S78 PolarHBondContact O-N 3.07Å
77S44.8Very low47Very low87 Ų87126.8 Ų126.861%0.60873%0.732SS**  trans-36106.6172.150.10000109.3F79S77-F79 PolarHBondContact O-N 3.24Å; S77-F79 WeakPolarHBondContact OG-CE2 3.38Å
78S37.2Very low49.7Very low106 Ų106120.9 Ų120.974%0.74170%0.704SS**  trans-68.485.7173.656.50000106.3Q76 Q80Q76-S78 PolarHBondContact O-N 3.07Å; S78-Q80 PolarHBondContact O-N 2.68Å
79F43.2Very low52.5Low173 Ų173117.4 Ų117.476%0.75967%0.668SS**  trans-60.288.8152.2-67.4-73.4000104.9S77 W81S77-F79 PolarHBondContact O-N 3.24Å; S77-F79 WeakPolarHBondContact OG-CE2 3.38Å; F79-W81 PolarHBondContact O-N 3.22Å
80Q35.8Very low55.1Low168 Ų168112.9 Ų112.979%0.78564%0.637SS**  trans-67.679.6174.3-173.6170-0.900106.5S78 S82S78-Q80 PolarHBondContact O-N 2.68Å; Q80-S82 PolarHBondContact O-N 2.84Å; Q80-S82 VanDerWaalsContact O-N 3.07Å
81W36.8Very low57.9Low241 Ų241104.1 Ų104.191%0.91360%0.596SS**  trans-58.2115.2165.6-98.7-27.7000106.3F79F79-W81 PolarHBondContact O-N 3.22Å
82S47.8Very low60.9Low86 Ų86103.3 Ų103.360%0.60157%0.571SS**  trans-44.5130.2171-59.10000109.1Q80 S84Q80-S82 PolarHBondContact O-N 2.84Å; Q80-S82 VanDerWaalsContact O-N 3.07Å; S82-S84 PolarHBondContact O-N 2.86Å
83P48.8Very low63.8Low138 Ų13897.7 Ų97.790%0.89653%0.532SS*.SBendtrans-62.421.3-170-27.535.4000118.3
84S58Low66.2Low64 Ų6497.7 Ų97.745%0.44851%0.506SS..  trans-142.7113.1168.463.70000108S82 R86S82-S84 PolarHBondContact O-N 2.86Å; S84-R86 PolarHBondContact O-N 2.77Å
85G69Low68.8Low57 Ų5791 Ų9159%0.58847%0.471SS*.  trans-62.929.8166.600000113.8F124 A125G85-F124 WeakPolarHBondContact O-CA 3.24Å; G85-A125 PolarHBondContact O-N 2.88Å
86R85.3Confident71Confident126 Ų12684 Ų8448%0.47545%0.451SS..EExtended strand (participates in β ladder)trans-107117179.4-63.6172.2175.2-95.90.4106.9S84 E122 I123 F124S84-R86 PolarHBondContact O-N 2.77Å; R86-E122 HydrophobicContact CB-CG 4.29Å; R86-E122 WeakPolarHBondContact CD-OE1 3.21Å; R86-E122 IonicContact CZ-OE1 3.71Å; R86-E122 IonicContact NE-OE1 3.86Å; R86-E122 IonicContact NH1-OE1 2.76Å; R86-E122 PolarHBondContact NH1-OE1 2.85Å; R86-I123 CarbonylContact C-O 3.51Å; R86-I123 WeakPolarHBondContact CA-O 3.33Å; R86-F124 HydrophobicContact CG-CB 3.77Å
87R91.5Very high73.6Confident91 Ų9182 Ų8234%0.34344%0.444SS..EExtended strand (participates in β ladder)trans-113.4118.5-179.6-56.1174.9-67.7178.2-2.3107.9I123 E164 F219R87-I123 PolarHBondContact N-O 2.8Å; R87-I123 PolarHBondContact O-N 3.1Å; R87-E164 IonicContact CZ-OE2 3.89Å; R87-E164 IonicContact NH2-OE1 2.89Å; R87-E164 PolarHBondContact NH2-OE1 2.87Å; R87-E164 IonicContact NH2-OE2 3.95Å; R87-E164 PolarHBondContact NH2-OE2 3.3Å; R87-F219 HydrophobicContact CB-CD1 3.48Å; R87-F219 VanDerWaalsContact CB-CD1 3.48Å; R87-F219 HydrophobicContact CB-CD2 4.44Å; R87-F219 HydrophobicContact CB-CE1 3.31Å; R87-F219 HydrophobicContact CB-CE2 4.3Å; R87-F219 HydrophobicContact CB-CG 4.06Å; R87-F219 HydrophobicContact CB-CZ 3.76Å; R87-F219 HydrophobicContact CG-CE1 4.32Å; R87-F219 HydrophobicContact CG-CZ 4.3Å; R87-F219 VanDerWaalsContact CZ-CZ 3.49Å
88T93.8Very high76Confident59 Ų5977.9 Ų77.936%0.36242%0.415SS..EExtended strand (participates in β ladder)trans-99130.3-179.3-56.80000110.2I120 L121 V136 F219 K220T88-I120 HydrophobicContact CG2-CG2 3.84Å; T88-L121 CarbonylContact C-O 3.35Å; T88-L121 WeakPolarHBondContact CA-O 3.32Å; T88-V136 HydrophobicContact CG2-CG2 4.06Å; T88-F219 WeakPolarHBondContact O-CA 3.13Å; T88-K220 PolarHBondContact O-N 3.39Å
89G93.9Very high78.8Confident7 Ų773.5 Ų73.57%0.07238%0.383CS..EExtended strand (participates in β ladder)trans-177.7-157.5-171.300000113.8I120 L121 R218G89-I120 CarbonylContact O-C 3.5Å; G89-I120 WeakPolarHBondContact O-CA 3.23Å; G89-L121 PolarHBondContact N-O 2.76Å; G89-L121 PolarHBondContact O-N 2.86Å; G89-L121 VanDerWaalsContact O-O 3.11Å; G89-R218 CarbonylContact C-O 3.43Å; G89-R218 WeakPolarHBondContact CA-O 3.49Å
90S94.9Very high81.4Confident16 Ų1665.8 Ų65.811%0.11235%0.349CS..EExtended strand (participates in β ladder)trans-124.1148.3171.759.10000110.1S119 R218S90-S119 WeakPolarHBondContact CA-O 3.1Å; S90-S119 WeakPolarHBondContact CB-O 3.45Å; S90-R218 PolarHBondContact N-O 3.42Å; S90-R218 PolarHBondContact O-N 2.65Å; S90-R218 PolarHBondContact OG-NE 2.84Å; S90-R218 PolarHBondContact OG-NH2 3.46Å
91L96.3Very high84.3Confident1 Ų157.8 Ų57.81%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-100.2104.9172.3-73.5177.1000109.2H100 L101 L121 I123 I133 Y174 F215 P217L91-H100 WeakPolarHBondContact O-CA 3.24Å; L91-L101 HydrophobicContact CB-CB 4.08Å; L91-L101 HydrophobicContact CD1-CD2 4.06Å; L91-L101 PolarHBondContact O-N 2.72Å; L91-L121 HydrophobicContact CB-CD1 4.02Å; L91-L121 HydrophobicContact CD1-CD1 3.83Å; L91-L121 HydrophobicContact CG-CD1 3.93Å; L91-I123 HydrophobicContact CD1-CD1 4.19Å; L91-I123 HydrophobicContact CD2-CD1 3.6Å; L91-I123 HydrophobicContact CG-CD1 4.01Å; L91-I133 HydrophobicContact CD1-CD1 3.84Å; L91-I133 HydrophobicContact CD1-CG2 4.29Å; L91-Y174 HydrophobicContact CD1-CE2 4.06Å; L91-Y174 HydrophobicContact CD2-CE2 3.82Å; L91-F215 HydrophobicContact CB-CD1 4.11Å; L91-F215 HydrophobicContact CD2-CB 4.37Å; L91-P217 HydrophobicContact CD2-CB 4.09Å; L91-P217 HydrophobicContact CD2-CG 4.06Å
92Y96.3Very high87.2Confident55 Ų5546.5 Ų46.522%0.21627%0.269CS..EExtended strand (participates in β ladder)trans-93.2122-178174.9-105.9000111.6R94 G98 H100 F215 L216Y92-R94 HydrophobicContact CE1-CB 4.23Å; Y92-G98 WeakPolarHBondContact OH-CA 3.35Å; Y92-H100 AromaticContact CD2-CD2 3.9Å; Y92-H100 AromaticContact CD2-CE1 3.85Å; Y92-H100 AromaticContact CD2-NE2 3.4Å; Y92-H100 WeakPolarHBondContact CD2-NE2 3.42Å; Y92-F215 CarbonylContact O-C 3.57Å; Y92-F215 WeakPolarHBondContact O-CA 3.49Å; Y92-L216 HydrophobicContact CD1-CB 4.41Å; Y92-L216 PolarHBondContact N-O 3.5Å; Y92-L216 PolarHBondContact O-N 3.45Å
93C95.9Very high89.6Confident0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-103.5123.2174.1-1720000110.1V95 G98 F99 L192 H214 F215C93-V95 HydrophobicContact CB-CG1 4.37Å; C93-V95 PolarHBondContact O-N 2.81Å; C93-V95 VanDerWaalsContact SG-CG1 3.53Å; C93-G98 CarbonylContact O-C 3.57Å; C93-G98 VanDerWaalsContact O-CA 3.27Å; C93-G98 WeakPolarHBondContact O-CA 3.12Å; C93-F99 PolarHBondContact N-O 3.38Å; C93-F99 PolarHBondContact O-N 3.11Å; C93-L192 HydrophobicContact CB-CD1 4.07Å; C93-H214 WeakPolarHBondContact CA-O 3.21Å; C93-H214 PolarHBondContact SG-O 2.83Å; C93-F215 HydrophobicContact CB-CD1 3.74Å; C93-F215 HydrophobicContact CB-CE1 3.62Å; C93-F215 HydrophobicContact CB-CZ 4.29Å
94R93.6Very high91.8Very high82 Ų8239.2 Ų39.231%0.30921%0.211SC..  trans-73.510.7-179.964.5167.3169.6-177.7-1.5115.3Y92 N169 Y171 H214Y92-R94 HydrophobicContact CE1-CB 4.23Å; R94-N169 PolarHBondContact NH2-ND2 2.84Å; R94-Y171 HydrophobicContact CB-CE1 4.17Å; R94-Y171 HydrophobicContact CG-CE1 3.93Å; R94-H214 PolarHBondContact NH2-ND1 2.95Å; R94-H214 VanDerWaalsContact NH2-ND1 3.2Å
95V94.8Very high93.6Very high2 Ų239.1 Ų39.11%0.01221%0.209CC..SBendtrans-72.6135.1-177.1700000110.6C93 I97 G98 F99 L192 N193 K194 I211C93-V95 HydrophobicContact CB-CG1 4.37Å; C93-V95 PolarHBondContact O-N 2.81Å; C93-V95 VanDerWaalsContact SG-CG1 3.53Å; V95-I97 PolarHBondContact O-N 2.96Å; V95-G98 PolarHBondContact O-N 2.73Å; V95-G98 VanDerWaalsContact O-N 3.08Å; V95-F99 HydrophobicContact CG1-CD2 3.88Å; V95-F99 HydrophobicContact CG1-CE2 4.36Å; V95-F99 WeakPolarHBondContact O-CD2 3.3Å; V95-F99 WeakPolarHBondContact O-CE2 3.35Å; V95-L192 HydrophobicContact CG1-CB 4.04Å; V95-N193 WeakPolarHBondContact CG1-O 3.45Å; V95-K194 HydrophobicContact CG2-CG 3.92Å; V95-I211 HydrophobicContact CG2-CD1 4.33Å; V95-I211 HydrophobicContact CG2-CG1 4.41Å
96G93.4Very high94.9Very high47 Ų4742.3 Ų42.349%0.48521%0.213SC..THydrogen-bonded Turntrans66.5-123.1-17900000111.3G98G96-G98 VanDerWaalsContact C-N 3.31Å
97I94.3Very high95.3Very high116 Ų11637.3 Ų37.360%0.59520%0.2SC*.THydrogen-bonded Turntrans-84.9-2.617560.3170.7000113.4V95 F99 H113V95-I97 PolarHBondContact O-N 2.96Å; I97-F99 HydrophobicContact CD1-CE1 4.36Å; I97-F99 HydrophobicContact CD1-CZ 4.3Å; I97-F99 HydrophobicContact CG1-CE1 4.1Å; I97-F99 HydrophobicContact CG1-CE2 4.19Å; I97-F99 HydrophobicContact CG1-CZ 3.69Å; I97-H113 HydrophobicContact CD1-CB 3.96Å
98G95.3Very high95.5Very high0 Ų039.2 Ų39.20%021%0.211CC..  trans94.6136.6-171.700000112.6Y92 C93 V95 G96 H113Y92-G98 WeakPolarHBondContact OH-CA 3.35Å; C93-G98 CarbonylContact O-C 3.57Å; C93-G98 VanDerWaalsContact O-CA 3.27Å; C93-G98 WeakPolarHBondContact O-CA 3.12Å; V95-G98 PolarHBondContact O-N 2.73Å; V95-G98 VanDerWaalsContact O-N 3.08Å; G96-G98 VanDerWaalsContact C-N 3.31Å; G98-H113 PolarHBondContact O-CD2 3.02Å
99F97.3Very high95.7Very high15 Ų1536.7 Ų36.77%0.06620%0.196CC..EExtended strand (participates in β ladder)trans-144.8136.6-178.2-60.1-82.3000112C93 V95 I97 S112 L192 K194 G196C93-F99 PolarHBondContact N-O 3.38Å; C93-F99 PolarHBondContact O-N 3.11Å; V95-F99 HydrophobicContact CG1-CD2 3.88Å; V95-F99 HydrophobicContact CG1-CE2 4.36Å; V95-F99 WeakPolarHBondContact O-CD2 3.3Å; V95-F99 WeakPolarHBondContact O-CE2 3.35Å; I97-F99 HydrophobicContact CD1-CE1 4.36Å; I97-F99 HydrophobicContact CD1-CZ 4.3Å; I97-F99 HydrophobicContact CG1-CE1 4.1Å; I97-F99 HydrophobicContact CG1-CE2 4.19Å; I97-F99 HydrophobicContact CG1-CZ 3.69Å; F99-S112 CarbonylContact C-O 3.52Å; F99-S112 WeakPolarHBondContact CA-O 3.48Å; F99-L192 HydrophobicContact CB-CD1 3.89Å; F99-K194 WeakPolarHBondContact CE2-O 3.4Å; F99-K194 WeakPolarHBondContact CZ-O 3.04Å; F99-G196 VanDerWaalsContact CD1-CA 3.5Å; F99-G196 VanDerWaalsContact CZ-N 3.31Å
100H96.8Very high95.8Very high10 Ų1038.9 Ų38.95%0.04621%0.205CC..EExtended strand (participates in β ladder)trans-85.8128.1167.7-56.290.5000109.6L91 Y92 Q102 G111 S112 H113 R218L91-H100 WeakPolarHBondContact O-CA 3.24Å; Y92-H100 AromaticContact CD2-CD2 3.9Å; Y92-H100 AromaticContact CD2-CE1 3.85Å; Y92-H100 AromaticContact CD2-NE2 3.4Å; Y92-H100 WeakPolarHBondContact CD2-NE2 3.42Å; H100-Q102 PolarHBondContact O-N 2.96Å; H100-G111 CarbonylContact O-C 3.55Å; H100-G111 WeakPolarHBondContact O-CA 3.43Å; H100-S112 PolarHBondContact N-O 3.16Å; H100-S112 PolarHBondContact ND1-O 2.79Å; H100-S112 PolarHBondContact O-N 3.06Å; H100-H113 PolarHBondContact CE1-O 3.42Å; H100-H113 PolarHBondContact ND1-O 2.82Å; H100-R218 PolarHBondContact CD2-NH2 3.35Å; H100-R218 VanDerWaalsContact CD2-NH2 3.29Å; H100-R218 PolarHBondContact NE2-NH1 2.93Å; H100-R218 PolarHBondContact NE2-NH2 3.28Å
101L97.5Very high95.8Very high0 Ų038.7 Ų38.70%021%0.206CC..EExtended strand (participates in β ladder)trans-62.5132174.2-172.569.5000110.2L91 V109 S119 L121 L142 L192 F215L91-L101 HydrophobicContact CB-CB 4.08Å; L91-L101 HydrophobicContact CD1-CD2 4.06Å; L91-L101 PolarHBondContact O-N 2.72Å; L101-V109 HydrophobicContact CD1-CG1 3.69Å; L101-V109 HydrophobicContact CG-CG1 4.43Å; L101-S119 WeakPolarHBondContact O-CA 3.4Å; L101-L121 HydrophobicContact CB-CD1 4.1Å; L101-L121 HydrophobicContact CD2-CD1 4.04Å; L101-L121 HydrophobicContact CG-CD1 4.31Å; L101-L142 HydrophobicContact CD2-CD2 3.96Å; L101-L192 HydrophobicContact CD1-CD1 4.35Å; L101-L192 HydrophobicContact CD1-CD2 3.92Å; L101-L192 HydrophobicContact CD1-CG 4.39Å; L101-F215 HydrophobicContact CB-CE1 4.41Å
102Q96.8Very high95.8Very high4 Ų440.3 Ų40.32%0.01922%0.217CC..EExtended strand (participates in β ladder)trans-124.6137.4-178-70.7179.4-29.700111.1H100 Y104 V109 N110 L118H100-Q102 PolarHBondContact O-N 2.96Å; Q102-Y104 HydrophobicContact CB-CD2 4.44Å; Q102-Y104 HydrophobicContact CB-CE2 3.97Å; Q102-Y104 PolarHBondContact OE1-OH 3.12Å; Q102-V109 WeakPolarHBondContact O-CA 3.37Å; Q102-N110 WeakPolarHBondContact CA-O 3.25Å; Q102-N110 PolarHBondContact N-O 3.43Å; Q102-N110 PolarHBondContact O-N 3.34Å; Q102-L118 WeakPolarHBondContact CA-O 3.4Å; Q102-L118 HydrophobicContact CB-CB 4.21Å; Q102-L118 HydrophobicContact CG-CB 4.18Å
103I97.4Very high95.7Very high0 Ų042.4 Ų42.40%023%0.229CC..EExtended strand (participates in β ladder)trans-116.2106.6177.7-58.2-177.6000108.5L118 L121 I133 S138 K140 L142 A152I103-L118 PolarHBondContact N-O 3.33Å; I103-L121 HydrophobicContact CB-CD2 4.47Å; I103-L121 HydrophobicContact CD1-CD2 3.68Å; I103-L121 HydrophobicContact CG1-CD2 3.83Å; I103-I133 HydrophobicContact CD1-CG2 4.44Å; I103-S138 WeakPolarHBondContact CG2-OG 3.37Å; I103-S138 WeakPolarHBondContact O-CB 2.84Å; I103-S138 PolarHBondContact O-OG 3.23Å; I103-K140 HydrophobicContact CG2-CB 4.22Å; I103-L142 HydrophobicContact CD1-CB 3.96Å; I103-A152 HydrophobicContact CG2-CB 3.42Å; I103-A152 VanDerWaalsContact CG2-CB 3.42Å
104Y96.7Very high95.5Very high71 Ų7149.2 Ų49.228%0.27826%0.261SS..  trans-79.6147.7-178.3-72.3-101.7000111.5Q102 D106 G107 K108 N110 L118Q102-Y104 HydrophobicContact CB-CD2 4.44Å; Q102-Y104 HydrophobicContact CB-CE2 3.97Å; Q102-Y104 PolarHBondContact OE1-OH 3.12Å; Y104-D106 PolarHBondContact O-N 2.89Å; Y104-G107 PolarHBondContact O-N 3.37Å; Y104-G107 VanDerWaalsContact O-N 3.13Å; Y104-K108 WeakPolarHBondContact CB-O 3.46Å; Y104-K108 PolarHBondContact N-O 2.89Å; Y104-N110 HydrophobicContact CE2-CB 4.16Å; Y104-L118 HydrophobicContact CD1-CD1 3.67Å; Y104-L118 HydrophobicContact CE1-CD1 3.48Å; Y104-L118 VanDerWaalsContact CE1-CD1 3.48Å; Y104-L118 HydrophobicContact CE2-CD1 4.47Å; Y104-L118 HydrophobicContact CG-CD1 4.27Å
105P95.9Very high95.3Very high62 Ų6248.9 Ų48.940%0.40328%0.276SS..THydrogen-bonded Turntrans-61.2-25.8171.826.8-34.5000112.4G107 K140P105-G107 PolarHBondContact O-N 2.66Å; P105-G107 VanDerWaalsContact O-N 3.11Å; P105-K140 WeakPolarHBondContact O-CE 3.41Å
106D95.1Very high95.1Very high125 Ų12552.5 Ų52.567%0.66830%0.295SS*.THydrogen-bonded Turntrans-69-3175.9-58.2-10.7000114.4Y104 K108Y104-D106 PolarHBondContact O-N 2.89Å; D106-K108 VanDerWaalsContact C-N 3.34Å
107G94.1Very high95.1Very high21 Ų2155.6 Ų55.622%0.21630%0.298CS..SBendtrans89-2.3-176.100000114.4Y104 P105 H151 A152Y104-G107 PolarHBondContact O-N 3.37Å; Y104-G107 VanDerWaalsContact O-N 3.13Å; P105-G107 PolarHBondContact O-N 2.66Å; P105-G107 VanDerWaalsContact O-N 3.11Å; G107-H151 WeakPolarHBondContact O-CA 3.43Å; G107-A152 PolarHBondContact O-N 2.81Å
108K95.9Very high95.1Very high131 Ų13151.1 Ų51.157%0.5728%0.275SS*.  trans-84.1147.7177.8-67.1175.3-175.1162.50111.1Y104 D106Y104-K108 WeakPolarHBondContact CB-O 3.46Å; Y104-K108 PolarHBondContact N-O 2.89Å; D106-K108 VanDerWaalsContact C-N 3.34Å
109V97.3Very high95.2Very high6 Ų651.3 Ų51.34%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-125.5124.4175.3177.90000107.9L101 Q102 L142 L150 H151 A152 A198L101-V109 HydrophobicContact CD1-CG1 3.69Å; L101-V109 HydrophobicContact CG-CG1 4.43Å; Q102-V109 WeakPolarHBondContact O-CA 3.37Å; V109-L142 HydrophobicContact CB-CD1 4.36Å; V109-L142 HydrophobicContact CG1-CD1 3.77Å; V109-L142 HydrophobicContact CG2-CD1 3.79Å; V109-L150 HydrophobicContact CB-CB 4.27Å; V109-L150 HydrophobicContact CG1-CB 4.37Å; V109-H151 VanDerWaalsContact CG2-C 3.49Å; V109-A152 HydrophobicContact CG2-CB 4.39Å; V109-A198 WeakPolarHBondContact O-CB 3.44Å
110N96.2Very high95.1Very high52 Ų5253.1 Ų53.128%0.27829%0.286SS..EExtended strand (participates in β ladder)trans-144.1-173.9177.7-72.5-42000108.6Q102 Y104 G196Q102-N110 WeakPolarHBondContact CA-O 3.25Å; Q102-N110 PolarHBondContact N-O 3.43Å; Q102-N110 PolarHBondContact O-N 3.34Å; Y104-N110 HydrophobicContact CE2-CB 4.16Å; N110-G196 CarbonylContact C-O 3.52Å
111G96.1Very high95Very high12 Ų1252.7 Ų52.712%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-132.3149.5168.500000111.9H100 G196H100-G111 CarbonylContact O-C 3.55Å; H100-G111 WeakPolarHBondContact O-CA 3.43Å; G111-G196 WeakPolarHBondContact CA-O 3.37Å; G111-G196 PolarHBondContact N-O 2.72Å
112S95.8Very high95Very high35 Ų3553.3 Ų53.325%0.24529%0.287CS..EExtended strand (participates in β ladder)trans-122.7147.3177.6-179.80000109.8F99 H100 E114F99-S112 CarbonylContact C-O 3.52Å; F99-S112 WeakPolarHBondContact CA-O 3.48Å; H100-S112 PolarHBondContact N-O 3.16Å; H100-S112 PolarHBondContact ND1-O 2.79Å; H100-S112 PolarHBondContact O-N 3.06Å; S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact OG-N 2.99Å; S112-E114 PolarHBondContact OG-O 2.72Å
113H94.4Very high94.9Very high100 Ų10053.2 Ų53.246%0.46329%0.287SS..SBendtrans-63.7-43.1174179.4-107.8000110.8I97 G98 H100I97-H113 HydrophobicContact CD1-CB 3.96Å; G98-H113 PolarHBondContact O-CD2 3.02Å; H100-H113 PolarHBondContact CE1-O 3.42Å; H100-H113 PolarHBondContact ND1-O 2.82Å
114E91.8Very high94.8Very high143 Ų14354.4 Ų54.467%0.66829%0.292SS*.SBendtrans-80.8142.7-179.9-66.1176.3-171.400112.5S112 N116S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact OG-N 2.99Å; S112-E114 PolarHBondContact OG-O 2.72Å; E114-N116 PolarHBondContact O-N 2.78Å
115A88.5Confident94.7Very high75 Ų7554.3 Ų54.362%0.6231%0.306SS*.  trans-71.9117.8171.600000109.3
116N91.3Very high94.7Very high78 Ų7854 Ų5442%0.41730%0.303SS..  trans-123.1165.2179.7-164.5-21.5000109.6E114 L118 S119E114-N116 PolarHBondContact O-N 2.78Å; N116-L118 PolarHBondContact O-N 2.82Å; N116-S119 PolarHBondContact N-OG 3.21Å; N116-S119 WeakPolarHBondContact O-CA 3.35Å; N116-S119 WeakPolarHBondContact O-CB 3.48Å; N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 PolarHBondContact O-OG 3.44Å
117M93Very high94.6Very high111 Ų11151.3 Ų51.355%0.54729%0.294SS..G310 helixtrans-53.3-36.3172.9-62.7-171.8-74.100112.4S119 I120 F137M117-S119 PolarHBondContact O-N 2.79Å; M117-I120 WeakPolarHBondContact O-CB 3.31Å; M117-I120 PolarHBondContact O-N 3.46Å; M117-I120 VanDerWaalsContact O-N 3.16Å; M117-F137 HydrophobicContact CB-CD2 4.15Å; M117-F137 HydrophobicContact CB-CG 4.45Å; M117-F137 HydrophobicContact CE-CE2 4.36Å; M117-F137 HydrophobicContact SD-CE2 4.48Å
118L94.9Very high94.6Very high23 Ų2359.9 Ų59.912%0.1233%0.328CS..G310 helixtrans-64.9-18.6175.3-60.1179.5000114.2Q102 I103 Y104 N116 F137Q102-L118 WeakPolarHBondContact CA-O 3.4Å; Q102-L118 HydrophobicContact CB-CB 4.21Å; Q102-L118 HydrophobicContact CG-CB 4.18Å; I103-L118 PolarHBondContact N-O 3.33Å; Y104-L118 HydrophobicContact CD1-CD1 3.67Å; Y104-L118 HydrophobicContact CE1-CD1 3.48Å; Y104-L118 VanDerWaalsContact CE1-CD1 3.48Å; Y104-L118 HydrophobicContact CE2-CD1 4.47Å; Y104-L118 HydrophobicContact CG-CD1 4.27Å; N116-L118 PolarHBondContact O-N 2.82Å; L118-F137 HydrophobicContact CD2-CD1 3.35Å; L118-F137 HydrophobicContact CD2-CE1 3.81Å; L118-F137 HydrophobicContact CD2-CG 4.16Å
119S95.6Very high94.5Very high3 Ų355.5 Ų55.52%0.02132%0.32CS..G310 helixtrans-92.7-0.8178.571.40000113.8S90 L101 N116 M117 L121S90-S119 WeakPolarHBondContact CA-O 3.1Å; S90-S119 WeakPolarHBondContact CB-O 3.45Å; L101-S119 WeakPolarHBondContact O-CA 3.4Å; N116-S119 PolarHBondContact N-OG 3.21Å; N116-S119 WeakPolarHBondContact O-CA 3.35Å; N116-S119 WeakPolarHBondContact O-CB 3.48Å; N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 PolarHBondContact O-OG 3.44Å; M117-S119 PolarHBondContact O-N 2.79Å; S119-L121 PolarHBondContact O-N 2.73Å
120I95.4Very high94.4Very high53 Ų5356.4 Ų56.427%0.27233%0.325SS..  trans-82112.1173.7-54.7177.5000107.9T88 G89 M117 V136T88-I120 HydrophobicContact CG2-CG2 3.84Å; G89-I120 CarbonylContact O-C 3.5Å; G89-I120 WeakPolarHBondContact O-CA 3.23Å; M117-I120 WeakPolarHBondContact O-CB 3.31Å; M117-I120 PolarHBondContact O-N 3.46Å; M117-I120 VanDerWaalsContact O-N 3.16Å; I120-V136 HydrophobicContact CB-CB 4.47Å; I120-V136 HydrophobicContact CG2-CB 4.04Å; I120-V136 HydrophobicContact CG2-CG2 3.88Å; I120-V136 PolarHBondContact O-N 3.41Å
121L96.3Very high94.5Very high1 Ų154.2 Ų54.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-119140.3-175.6-51.5-179.6000109.7T88 G89 L91 L101 I103 S119 I133 R134T88-L121 CarbonylContact C-O 3.35Å; T88-L121 WeakPolarHBondContact CA-O 3.32Å; G89-L121 PolarHBondContact N-O 2.76Å; G89-L121 PolarHBondContact O-N 2.86Å; G89-L121 VanDerWaalsContact O-O 3.11Å; L91-L121 HydrophobicContact CB-CD1 4.02Å; L91-L121 HydrophobicContact CD1-CD1 3.83Å; L91-L121 HydrophobicContact CG-CD1 3.93Å; L101-L121 HydrophobicContact CB-CD1 4.1Å; L101-L121 HydrophobicContact CD2-CD1 4.04Å; L101-L121 HydrophobicContact CG-CD1 4.31Å; I103-L121 HydrophobicContact CB-CD2 4.47Å; I103-L121 HydrophobicContact CD1-CD2 3.68Å; I103-L121 HydrophobicContact CG1-CD2 3.83Å; S119-L121 PolarHBondContact O-N 2.73Å; L121-I133 HydrophobicContact CB-CG2 4.16Å; L121-I133 HydrophobicContact CD1-CG2 4.03Å; L121-R134 CarbonylContact C-O 3.47Å; L121-R134 VanDerWaalsContact CA-O 3.27Å; L121-R134 WeakPolarHBondContact CA-O 3.46Å
122E95.7Very high94.5Very high13 Ų1353.6 Ų53.66%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-103.6118.6169.7-178.8-170175.200108.4R86 R134 V136R86-E122 HydrophobicContact CB-CG 4.29Å; R86-E122 WeakPolarHBondContact CD-OE1 3.21Å; R86-E122 IonicContact CZ-OE1 3.71Å; R86-E122 IonicContact NE-OE1 3.86Å; R86-E122 IonicContact NH1-OE1 2.76Å; R86-E122 PolarHBondContact NH1-OE1 2.85Å; E122-R134 HydrophobicContact CB-CB 4.42Å; E122-R134 PolarHBondContact N-O 2.62Å; E122-R134 PolarHBondContact O-N 3.41Å; E122-R134 IonicContact OE1-NH2 3.95Å; E122-R134 IonicContact OE2-CZ 3.12Å; E122-R134 IonicContact OE2-NE 2.84Å; E122-R134 PolarHBondContact OE2-NE 2.76Å; E122-R134 IonicContact OE2-NH2 2.65Å; E122-R134 PolarHBondContact OE2-NH2 2.81Å; E122-V136 HydrophobicContact CB-CG2 3.95Å
123I95.5Very high94.6Very high3 Ų352 Ų522%0.01530%0.296CS..EExtended strand (participates in β ladder)trans-102119.8176.8-51.3-176.7000107.7R86 R87 L91 V131 G132 I133 F219R86-I123 CarbonylContact C-O 3.51Å; R86-I123 WeakPolarHBondContact CA-O 3.33Å; R87-I123 PolarHBondContact N-O 2.8Å; R87-I123 PolarHBondContact O-N 3.1Å; L91-I123 HydrophobicContact CD1-CD1 4.19Å; L91-I123 HydrophobicContact CD2-CD1 3.6Å; L91-I123 HydrophobicContact CG-CD1 4.01Å; I123-V131 HydrophobicContact CG2-CB 3.92Å; I123-V131 HydrophobicContact CG2-CG1 4.16Å; I123-V131 HydrophobicContact CG2-CG2 4.22Å; I123-G132 WeakPolarHBondContact CA-O 3.23Å; I123-I133 HydrophobicContact CG1-CG1 4.36Å; I123-I133 HydrophobicContact CG2-CG1 4.46Å; I123-F219 HydrophobicContact CD1-CE1 3.85Å; I123-F219 HydrophobicContact CD1-CZ 4.19Å; I123-F219 HydrophobicContact CG1-CE1 4.35Å
124F95.2Very high94.7Very high24 Ų2450.4 Ų50.411%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-122.4139-179.962.4-88.5000110.9G85 R86 V126 V131 G132 R134 F141 F156G85-F124 WeakPolarHBondContact O-CA 3.24Å; R86-F124 HydrophobicContact CG-CB 3.77Å; F124-V126 HydrophobicContact CD2-CG2 4.12Å; F124-V126 HydrophobicContact CE2-CG2 3.82Å; F124-V131 CarbonylContact O-C 3.58Å; F124-V131 VanDerWaalsContact O-CA 3.3Å; F124-V131 WeakPolarHBondContact O-CA 3.39Å; F124-G132 WeakPolarHBondContact CD1-O 3.47Å; F124-G132 PolarHBondContact N-O 3.39Å; F124-G132 PolarHBondContact O-N 3.25Å; F124-R134 HydrophobicContact CE1-CB 4.21Å; F124-F141 AromaticContact CE1-CD1 3.99Å; F124-F141 HydrophobicContact CE1-CD1 3.99Å; F124-F141 AromaticContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CZ-CD1 4.04Å; F124-F141 AromaticContact CZ-CE1 3.79Å; F124-F141 HydrophobicContact CZ-CE1 3.79Å; F124-F156 HydrophobicContact CE2-CE2 4.01Å; F124-F156 HydrophobicContact CE2-CZ 4.03Å; F124-F156 AromaticContact CZ-CD2 3.91Å; F124-F156 HydrophobicContact CZ-CD2 3.91Å; F124-F156 AromaticContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CZ 4.08Å
125A95.2Very high95Very high69 Ų6943.7 Ų43.757%0.5726%0.255SS*.EExtended strand (participates in β ladder)trans-71129.3174.300000110.2G85G85-A125 PolarHBondContact O-N 2.88Å
126V95Very high95.3Very high55 Ų5543.2 Ų43.233%0.33324%0.244SC..EExtended strand (participates in β ladder)trans-96.6-43.9174.1178.50000109.5F124 I130 F156F124-V126 HydrophobicContact CD2-CG2 4.12Å; F124-V126 HydrophobicContact CE2-CG2 3.82Å; V126-I130 HydrophobicContact CB-CB 4.48Å; V126-I130 HydrophobicContact CB-CG2 4.12Å; V126-I130 PolarHBondContact N-O 2.82Å; V126-F156 HydrophobicContact CG2-CE1 4.34Å; V126-F156 HydrophobicContact CG2-CZ 3.67Å
127S93.6Very high95.5Very high70 Ų7045.2 Ų45.249%0.4925%0.249SC..EExtended strand (participates in β ladder)trans-158.2-178173.663.80000109G129 I130S127-G129 PolarHBondContact O-N 2.97Å; S127-I130 PolarHBondContact N-O 3.12Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 WeakPolarHBondContact OG-CB 3.5Å; S127-I130 WeakPolarHBondContact OG-CG1 3.38Å
128Q93.3Very high95.6Very high200 Ų20040.8 Ų40.894%0.93523%0.229SC*.THydrogen-bonded Turntrans-55.1115.8-179-170.3179.723.700111.5I130Q128-I130 PolarHBondContact O-N 2.79Å
129G93.4Very high95.6Very high39 Ų3944.1 Ų44.140%0.40225%0.247SC..THydrogen-bonded Turntrans69.92.7-178.800000115.4S127 R163 E164S127-G129 PolarHBondContact O-N 2.97Å; G129-R163 CarbonylContact O-C 3.53Å; G129-R163 VanDerWaalsContact O-CA 3.25Å; G129-R163 WeakPolarHBondContact O-CA 3.29Å; G129-R163 WeakPolarHBondContact O-CG 3.48Å; G129-E164 PolarHBondContact O-N 2.79Å
130I96.8Very high95.7Very high25 Ų2546.3 Ų46.313%0.12826%0.256CS..EExtended strand (participates in β ladder)trans-110.3126.5175.7-52.6-64.2000109.5V126 S127 Q128 K161 F162 R163 A177V126-I130 HydrophobicContact CB-CB 4.48Å; V126-I130 HydrophobicContact CB-CG2 4.12Å; V126-I130 PolarHBondContact N-O 2.82Å; S127-I130 PolarHBondContact N-O 3.12Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 WeakPolarHBondContact OG-CB 3.5Å; S127-I130 WeakPolarHBondContact OG-CG1 3.38Å; Q128-I130 PolarHBondContact O-N 2.79Å; I130-K161 HydrophobicContact CG2-CB 3.85Å; I130-K161 HydrophobicContact CG2-CG 4.33Å; I130-F162 CarbonylContact C-O 3.54Å; I130-F162 WeakPolarHBondContact CA-O 3.41Å; I130-R163 HydrophobicContact CD1-CB 3.72Å; I130-R163 HydrophobicContact CD1-CG 3.75Å; I130-A177 HydrophobicContact CD1-CB 4.07Å
131V97.1Very high95.9Very high6 Ų645.2 Ų45.24%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-121.7149.8-179.5-58.20000111.3I123 F124 I133 F162 E164 Y174I123-V131 HydrophobicContact CG2-CB 3.92Å; I123-V131 HydrophobicContact CG2-CG1 4.16Å; I123-V131 HydrophobicContact CG2-CG2 4.22Å; F124-V131 CarbonylContact O-C 3.58Å; F124-V131 VanDerWaalsContact O-CA 3.3Å; F124-V131 WeakPolarHBondContact O-CA 3.39Å; V131-I133 HydrophobicContact CG2-CG1 4.48Å; V131-F162 HydrophobicContact CG2-CB 4.34Å; V131-F162 PolarHBondContact N-O 3.4Å; V131-F162 PolarHBondContact O-N 2.93Å; V131-E164 HydrophobicContact CG1-CB 4Å; V131-E164 HydrophobicContact CG2-CB 4.04Å; V131-Y174 HydrophobicContact CG2-CD1 3.91Å; V131-Y174 HydrophobicContact CG2-CE1 3.85Å
132G97.1Very high96Very high0 Ų045.1 Ų45.10%025%0.249CC..EExtended strand (participates in β ladder)trans-103.4144.4161.800000109.5I123 F124I123-G132 WeakPolarHBondContact CA-O 3.23Å; F124-G132 WeakPolarHBondContact CD1-O 3.47Å; F124-G132 PolarHBondContact N-O 3.39Å; F124-G132 PolarHBondContact O-N 3.25Å
133I97.8Very high96.1Very high1 Ų144.5 Ų44.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-120.7117.2178.5-59.6164.9000107.6L91 I103 L121 I123 V131 F141 L142 F162 Y174L91-I133 HydrophobicContact CD1-CD1 3.84Å; L91-I133 HydrophobicContact CD1-CG2 4.29Å; I103-I133 HydrophobicContact CD1-CG2 4.44Å; L121-I133 HydrophobicContact CB-CG2 4.16Å; L121-I133 HydrophobicContact CD1-CG2 4.03Å; I123-I133 HydrophobicContact CG1-CG1 4.36Å; I123-I133 HydrophobicContact CG2-CG1 4.46Å; V131-I133 HydrophobicContact CG2-CG1 4.48Å; I133-F141 CarbonylContact O-C 3.56Å; I133-F141 WeakPolarHBondContact O-CA 3.27Å; I133-L142 HydrophobicContact CB-CB 4.05Å; I133-L142 HydrophobicContact CB-CD2 4.38Å; I133-L142 HydrophobicContact CD1-CD2 3.88Å; I133-L142 HydrophobicContact CG2-CB 4.32Å; I133-L142 PolarHBondContact O-N 3.13Å; I133-F162 HydrophobicContact CD1-CD2 4.34Å; I133-Y174 HydrophobicContact CD1-CD1 4.19Å; I133-Y174 HydrophobicContact CD1-CE1 4.39Å; I133-Y174 HydrophobicContact CD1-CG 4.34Å
134R97.3Very high96.2Very high67 Ų6744.4 Ų44.425%0.25325%0.245SC..EExtended strand (participates in β ladder)trans-111.1133.5178.8-175.1172.278.1153.5-3.8110.2L121 E122 F124 V136 N139 K140 F141L121-R134 CarbonylContact C-O 3.47Å; L121-R134 VanDerWaalsContact CA-O 3.27Å; L121-R134 WeakPolarHBondContact CA-O 3.46Å; E122-R134 HydrophobicContact CB-CB 4.42Å; E122-R134 PolarHBondContact N-O 2.62Å; E122-R134 PolarHBondContact O-N 3.41Å; E122-R134 IonicContact OE1-NH2 3.95Å; E122-R134 IonicContact OE2-CZ 3.12Å; E122-R134 IonicContact OE2-NE 2.84Å; E122-R134 PolarHBondContact OE2-NE 2.76Å; E122-R134 IonicContact OE2-NH2 2.65Å; E122-R134 PolarHBondContact OE2-NH2 2.81Å; F124-R134 HydrophobicContact CE1-CB 4.21Å; R134-V136 PolarHBondContact O-N 2.74Å; R134-N139 PolarHBondContact NH1-OD1 2.83Å; R134-K140 CarbonylContact C-O 3.55Å; R134-K140 WeakPolarHBondContact CA-O 3.37Å; R134-F141 HydrophobicContact CB-CD1 3.87Å; R134-F141 HydrophobicContact CB-CE1 3.92Å; R134-F141 HydrophobicContact CG-CD1 4.13Å; R134-F141 HydrophobicContact CG-CE1 3.95Å; R134-F141 HydrophobicContact CG-CZ 4.44Å
135G96.8Very high96.2Very high1 Ų145 Ų451%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-74.9120.816700000109.1N139 K140G135-N139 VanDerWaalsContact O-CA 3.23Å; G135-N139 WeakPolarHBondContact O-CA 3.42Å; G135-N139 PolarHBondContact O-N 3.31Å; G135-K140 PolarHBondContact N-O 2.92Å
136V95.3Very high96.2Very high66 Ų6649.6 Ų49.640%0.426%0.26SS..THydrogen-bonded Turntrans-65-45-176.6176.70000110.4T88 I120 E122 R134T88-V136 HydrophobicContact CG2-CG2 4.06Å; I120-V136 HydrophobicContact CB-CB 4.47Å; I120-V136 HydrophobicContact CG2-CB 4.04Å; I120-V136 HydrophobicContact CG2-CG2 3.88Å; I120-V136 PolarHBondContact O-N 3.41Å; E122-V136 HydrophobicContact CB-CG2 3.95Å; R134-V136 PolarHBondContact O-N 2.74Å
137F94.6Very high96.1Very high120 Ų12055 Ų5553%0.52628%0.279SS..THydrogen-bonded Turntrans-69.7-46.2-179.7-178.2-92.5000113.1M117 L118 N139M117-F137 HydrophobicContact CB-CD2 4.15Å; M117-F137 HydrophobicContact CB-CG 4.45Å; M117-F137 HydrophobicContact CE-CE2 4.36Å; M117-F137 HydrophobicContact SD-CE2 4.48Å; L118-F137 HydrophobicContact CD2-CD1 3.35Å; L118-F137 HydrophobicContact CD2-CE1 3.81Å; L118-F137 HydrophobicContact CD2-CG 4.16Å; F137-N139 VanDerWaalsContact C-N 3.33Å
138S95.4Very high96.2Very high17 Ų1751.6 Ų51.612%0.11926%0.255CS..THydrogen-bonded Turntrans-82.2-13.1-177.250.40000113.4I103 K140I103-S138 WeakPolarHBondContact CG2-OG 3.37Å; I103-S138 WeakPolarHBondContact O-CB 2.84Å; I103-S138 PolarHBondContact O-OG 3.23Å; S138-K140 WeakPolarHBondContact O-CG 3.45Å; S138-K140 PolarHBondContact O-N 2.83Å; S138-K140 VanDerWaalsContact O-N 3.12Å
139N96.3Very high96.3Very high93 Ų9348.7 Ų48.750%0.49724%0.239SC..THydrogen-bonded Turntrans46.935.9-171-161.721.9000112.9R134 G135 F137R134-N139 PolarHBondContact NH1-OD1 2.83Å; G135-N139 VanDerWaalsContact O-CA 3.23Å; G135-N139 WeakPolarHBondContact O-CA 3.42Å; G135-N139 PolarHBondContact O-N 3.31Å; F137-N139 VanDerWaalsContact C-N 3.33Å
140K97.6Very high96.5Very high49 Ų4947.1 Ų47.121%0.21322%0.222CC..EExtended strand (participates in β ladder)trans-116.6151.5177-69-171.6-167.9-57.40110.4I103 P105 R134 G135 S138 A152 S153I103-K140 HydrophobicContact CG2-CB 4.22Å; P105-K140 WeakPolarHBondContact O-CE 3.41Å; R134-K140 CarbonylContact C-O 3.55Å; R134-K140 WeakPolarHBondContact CA-O 3.37Å; G135-K140 PolarHBondContact N-O 2.92Å; S138-K140 WeakPolarHBondContact O-CG 3.45Å; S138-K140 PolarHBondContact O-N 2.83Å; S138-K140 VanDerWaalsContact O-N 3.12Å; K140-A152 HydrophobicContact CB-CB 3.79Å; K140-A152 HydrophobicContact CD-CB 3.87Å; K140-A152 HydrophobicContact CG-CB 4.48Å; K140-S153 CarbonylContact C-O 3.49Å; K140-S153 WeakPolarHBondContact CA-O 3.28Å; K140-S153 WeakPolarHBondContact CB-O 3.24Å
141F98Very high96.5Very high30 Ų3048.6 Ų48.613%0.13223%0.228CC..EExtended strand (participates in β ladder)trans-92.4139.3178.3-56.7-84.2000110.2F124 I133 R134 A143 A152 S153 F156 C160F124-F141 AromaticContact CE1-CD1 3.99Å; F124-F141 HydrophobicContact CE1-CD1 3.99Å; F124-F141 AromaticContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CZ-CD1 4.04Å; F124-F141 AromaticContact CZ-CE1 3.79Å; F124-F141 HydrophobicContact CZ-CE1 3.79Å; I133-F141 CarbonylContact O-C 3.56Å; I133-F141 WeakPolarHBondContact O-CA 3.27Å; R134-F141 HydrophobicContact CB-CD1 3.87Å; R134-F141 HydrophobicContact CB-CE1 3.92Å; R134-F141 HydrophobicContact CG-CD1 4.13Å; R134-F141 HydrophobicContact CG-CE1 3.95Å; R134-F141 HydrophobicContact CG-CZ 4.44Å; F141-A143 PolarHBondContact O-N 2.91Å; F141-A152 CarbonylContact O-C 3.57Å; F141-A152 VanDerWaalsContact O-CA 3.28Å; F141-A152 WeakPolarHBondContact O-CA 3.17Å; F141-S153 PolarHBondContact N-O 3.04Å; F141-S153 PolarHBondContact O-N 3.25Å; F141-F156 HydrophobicContact CB-CD2 4.41Å; F141-F156 AromaticContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CE2 4.39Å; F141-F156 HydrophobicContact CD2-CB 4.15Å; F141-F156 HydrophobicContact CD2-CD2 4.48Å; F141-F156 HydrophobicContact CE1-CB 4.39Å; F141-F156 AromaticContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE2-CB 4.01Å; F141-F156 HydrophobicContact CG-CB 4.42Å; F141-F156 AromaticContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CZ-CB 4.13Å; F141-C160 HydrophobicContact CB-CB 4.14Å
142L98.3Very high96.5Very high0 Ų048.9 Ų48.90%023%0.231CC..EExtended strand (participates in β ladder)trans-61.8131.2165.7-177.263.6000108.1L101 I103 V109 I133 L150 C160 F162 V190L101-L142 HydrophobicContact CD2-CD2 3.96Å; I103-L142 HydrophobicContact CD1-CB 3.96Å; V109-L142 HydrophobicContact CB-CD1 4.36Å; V109-L142 HydrophobicContact CG1-CD1 3.77Å; V109-L142 HydrophobicContact CG2-CD1 3.79Å; I133-L142 HydrophobicContact CB-CB 4.05Å; I133-L142 HydrophobicContact CB-CD2 4.38Å; I133-L142 HydrophobicContact CD1-CD2 3.88Å; I133-L142 HydrophobicContact CG2-CB 4.32Å; I133-L142 PolarHBondContact O-N 3.13Å; L142-L150 HydrophobicContact CD1-CD2 4.45Å; L142-C160 VanDerWaalsContact O-CA 3.31Å; L142-C160 WeakPolarHBondContact O-CA 3.48Å; L142-C160 WeakPolarHBondContact O-CB 3.28Å; L142-F162 HydrophobicContact CB-CE2 4.01Å; L142-F162 HydrophobicContact CB-CZ 4.42Å; L142-F162 HydrophobicContact CD2-CE2 3.95Å; L142-F162 HydrophobicContact CD2-CZ 4.05Å; L142-F162 HydrophobicContact CG-CE2 3.82Å; L142-F162 HydrophobicContact CG-CZ 3.8Å; L142-F162 VanDerWaalsContact O-CE2 3.26Å; L142-F162 WeakPolarHBondContact O-CE2 3.26Å; L142-V190 HydrophobicContact CD2-CG1 4.23Å; L142-V190 HydrophobicContact CD2-CG2 4.07Å
143A97.8Very high96.6Very high0 Ų050 Ų500%024%0.239CC..EExtended strand (participates in β ladder)trans-137.4147.1179.400000110.5F141 L150 H151 D159F141-A143 PolarHBondContact O-N 2.91Å; A143-L150 WeakPolarHBondContact O-CA 3.42Å; A143-H151 PolarHBondContact N-O 3.24Å; A143-H151 PolarHBondContact O-N 3.39Å; A143-H151 PolarHBondContact O-ND1 2.94Å; A143-H151 VanDerWaalsContact O-O 3.07Å; A143-D159 WeakPolarHBondContact CA-O 3.32Å; A143-D159 HydrophobicContact CB-CB 4.26Å
144M97.6Very high96.5Very high0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-112.2119.8171.9-169.9177.2-66.100109.6L150 D159 F162 H179 W188 V190M144-L150 HydrophobicContact CB-CD2 4.15Å; M144-L150 HydrophobicContact CE-CD2 3.59Å; M144-L150 HydrophobicContact CG-CD2 4.25Å; M144-D159 PolarHBondContact N-O 3.21Å; M144-D159 WeakPolarHBondContact O-CB 3.35Å; M144-F162 HydrophobicContact CB-CE1 4.11Å; M144-F162 HydrophobicContact CB-CZ 4.44Å; M144-F162 HydrophobicContact CE-CE1 4.41Å; M144-H179 PolarHBondContact O-CD2 2.74Å; M144-H179 PolarHBondContact O-NE2 3.47Å; M144-H179 VanDerWaalsContact O-NE2 3.11Å; M144-W188 HydrophobicContact CE-CB 4.44Å; M144-W188 HydrophobicContact SD-CB 3.65Å; M144-W188 HydrophobicContact SD-CE3 3.98Å; M144-V190 HydrophobicContact CE-CG2 4.41Å
145S96.3Very high96.5Very high37 Ų3757.7 Ų57.726%0.25929%0.286SS..  trans-69.3158176.3170.20000111K147 G148 K149 H151S145-K147 PolarHBondContact O-N 2.97Å; S145-K147 PolarHBondContact OG-N 2.94Å; S145-G148 WeakPolarHBondContact O-CA 3.35Å; S145-G148 PolarHBondContact O-N 3Å; S145-K149 PolarHBondContact N-O 3.46Å; S145-H151 PolarHBondContact N-CE1 2.86Å
146K94.8Very high96.5Very high165 Ų16561.4 Ų61.472%0.71730%0.302SS*.THydrogen-bonded Turntrans-49.2-22.2168.1-63.1-179.5-179.4-176.20114.9G148 W188K146-G148 VanDerWaalsContact C-N 3.3Å; K146-W188 WeakPolarHBondContact O-CH2 3.18Å; K146-W188 VanDerWaalsContact O-CZ3 3.24Å; K146-W188 WeakPolarHBondContact O-CZ3 3.12Å
147K93.9Very high96.5Very high168 Ų16861.1 Ų61.173%0.7330%0.301SS*.THydrogen-bonded Turntrans-86.63.3173.8-63.7-175.6180178.80113.6S145 K149 C202S145-K147 PolarHBondContact O-N 2.97Å; S145-K147 PolarHBondContact OG-N 2.94Å; K147-K149 VanDerWaalsContact C-N 3.3Å; K147-K149 PolarHBondContact O-N 2.85Å; K147-C202 PolarHBondContact O-SG 3.38Å
148G94.2Very high96.6Very high0 Ų059.5 Ų59.50%030%0.298CS..SBendtrans75.510.9-17400000114.3S145 K146 W188 R200 G201S145-G148 WeakPolarHBondContact O-CA 3.35Å; S145-G148 PolarHBondContact O-N 3Å; K146-G148 VanDerWaalsContact C-N 3.3Å; G148-W188 VanDerWaalsContact N-CZ3 3.34Å; G148-R200 CarbonylContact O-C 3.56Å; G148-R200 WeakPolarHBondContact O-CA 3.42Å; G148-G201 PolarHBondContact O-N 2.75Å
149K96.5Very high96.7Very high138 Ų13860.6 Ų60.660%0.630%0.302SS*.  trans-83.7128.4179.6-174.7-178.7176.1-174.10110.5S145 K147 H151S145-K149 PolarHBondContact N-O 3.46Å; K147-K149 VanDerWaalsContact C-N 3.3Å; K147-K149 PolarHBondContact O-N 2.85Å; K149-H151 PolarHBondContact O-ND1 2.78Å
150L97.6Very high96.8Very high7 Ų756.1 Ų56.14%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-74133.6170.6-62.4177.1000110.4V109 L142 A143 M144 V190 A198V109-L150 HydrophobicContact CB-CB 4.27Å; V109-L150 HydrophobicContact CG1-CB 4.37Å; L142-L150 HydrophobicContact CD1-CD2 4.45Å; A143-L150 WeakPolarHBondContact O-CA 3.42Å; M144-L150 HydrophobicContact CB-CD2 4.15Å; M144-L150 HydrophobicContact CE-CD2 3.59Å; M144-L150 HydrophobicContact CG-CD2 4.25Å; L150-V190 HydrophobicContact CD1-CB 4.43Å; L150-V190 HydrophobicContact CD1-CG1 3.77Å; L150-V190 HydrophobicContact CD2-CG1 4.5Å; L150-V190 HydrophobicContact CD2-CG2 4.14Å; L150-A198 HydrophobicContact CB-CB 4.18Å; L150-A198 HydrophobicContact CD1-CB 4.06Å
151H97.3Very high96.8Very high55 Ų5556.6 Ų56.626%0.25528%0.28SS..EExtended strand (participates in β ladder)trans-150.316817863.6-71.3000109.6G107 V109 A143 S145 K149G107-H151 WeakPolarHBondContact O-CA 3.43Å; V109-H151 VanDerWaalsContact CG2-C 3.49Å; A143-H151 PolarHBondContact N-O 3.24Å; A143-H151 PolarHBondContact O-N 3.39Å; A143-H151 PolarHBondContact O-ND1 2.94Å; A143-H151 VanDerWaalsContact O-O 3.07Å; S145-H151 PolarHBondContact N-CE1 2.86Å; K149-H151 PolarHBondContact O-ND1 2.78Å
152A97.2Very high96.8Very high12 Ų1255.1 Ų55.110%0.09927%0.274CS..EExtended strand (participates in β ladder)trans-102.5126.6174.200000110.2I103 G107 V109 K140 F141I103-A152 HydrophobicContact CG2-CB 3.42Å; I103-A152 VanDerWaalsContact CG2-CB 3.42Å; G107-A152 PolarHBondContact O-N 2.81Å; V109-A152 HydrophobicContact CG2-CB 4.39Å; K140-A152 HydrophobicContact CB-CB 3.79Å; K140-A152 HydrophobicContact CD-CB 3.87Å; K140-A152 HydrophobicContact CG-CB 4.48Å; F141-A152 CarbonylContact O-C 3.57Å; F141-A152 VanDerWaalsContact O-CA 3.28Å; F141-A152 WeakPolarHBondContact O-CA 3.17Å
153S97.4Very high96.7Very high23 Ų2358.1 Ų58.116%0.16129%0.285CS..EExtended strand (participates in β ladder)trans-103.1139.6177.2-179.20000110.7K140 F141 K155K140-S153 CarbonylContact C-O 3.49Å; K140-S153 WeakPolarHBondContact CA-O 3.28Å; K140-S153 WeakPolarHBondContact CB-O 3.24Å; F141-S153 PolarHBondContact N-O 3.04Å; F141-S153 PolarHBondContact O-N 3.25Å; S153-K155 WeakPolarHBondContact CB-O 3.15Å; S153-K155 PolarHBondContact OG-N 3.18Å; S153-K155 PolarHBondContact OG-O 2.95Å
154A96.4Very high96.7Very high65 Ų6559.8 Ų59.854%0.53729%0.293SS..SBendtrans-75.1-29.6173.100000112.5
155K96.6Very high96.5Very high166 Ų16665.3 Ų65.372%0.72231%0.314SS*.SBendtrans-104.2141179.2-63.9-175.8-179.9-178.70109.8S153 T157S153-K155 WeakPolarHBondContact CB-O 3.15Å; S153-K155 PolarHBondContact OG-N 3.18Å; S153-K155 PolarHBondContact OG-O 2.95Å; K155-T157 HydrophobicContact CB-CG2 4.47Å; K155-T157 PolarHBondContact O-N 2.87Å
156F96.8Very high96.4Very high78 Ų7870.4 Ų70.434%0.34233%0.332SS..  trans-76.6113.4173.4-170.9-107.7000109.5F124 V126 F141 C160 K161F124-F156 HydrophobicContact CE2-CE2 4.01Å; F124-F156 HydrophobicContact CE2-CZ 4.03Å; F124-F156 AromaticContact CZ-CD2 3.91Å; F124-F156 HydrophobicContact CZ-CD2 3.91Å; F124-F156 AromaticContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CZ 4.08Å; V126-F156 HydrophobicContact CG2-CE1 4.34Å; V126-F156 HydrophobicContact CG2-CZ 3.67Å; F141-F156 HydrophobicContact CB-CD2 4.41Å; F141-F156 AromaticContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CE2 4.39Å; F141-F156 HydrophobicContact CD2-CB 4.15Å; F141-F156 HydrophobicContact CD2-CD2 4.48Å; F141-F156 HydrophobicContact CE1-CB 4.39Å; F141-F156 AromaticContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE2-CB 4.01Å; F141-F156 HydrophobicContact CG-CB 4.42Å; F141-F156 AromaticContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CZ-CB 4.13Å; F156-C160 HydrophobicContact CD2-CB 3.64Å; F156-C160 HydrophobicContact CE2-CB 3.59Å; F156-C160 HydrophobicContact CZ-CB 4.49Å; F156-K161 HydrophobicContact CE1-CG 4.48Å; F156-K161 HydrophobicContact CZ-CG 4.01Å
157T96.8Very high96.2Very high60 Ų6064.5 Ų64.537%0.36831%0.306SS..  trans-124.4174.8-178.557.90000110.2K155 D159 C160K155-T157 HydrophobicContact CB-CG2 4.47Å; K155-T157 PolarHBondContact O-N 2.87Å; T157-D159 PolarHBondContact O-N 3.43Å; T157-C160 VanDerWaalsContact O-CB 3.24Å; T157-C160 WeakPolarHBondContact O-CB 3.42Å; T157-C160 PolarHBondContact O-N 3.11Å; T157-C160 PolarHBondContact OG1-SG 3.16Å
158D96.6Very high95.7Very high87 Ų8765 Ų6547%0.46531%0.312SS..G310 helixtrans-62.7-26176.9-62.9-44.7000113.4C160 K161 I178D158-C160 PolarHBondContact O-N 3.13Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.25Å; D158-K161 WeakPolarHBondContact OD1-CE 3.43Å; D158-K161 IonicContact OD1-NZ 2.67Å; D158-K161 PolarHBondContact OD1-NZ 2.93Å; D158-I178 HydrophobicContact CB-CD1 3.88Å; D158-I178 HydrophobicContact CB-CG2 4.16Å
159D97.1Very high95.2Very high39 Ų3969.1 Ų69.121%0.20933%0.333CS..G310 helixtrans-62.2-19.1171.7-74.1-2.8000112.8A143 M144 T157 I178 H179A143-D159 WeakPolarHBondContact CA-O 3.32Å; A143-D159 HydrophobicContact CB-CB 4.26Å; M144-D159 PolarHBondContact N-O 3.21Å; M144-D159 WeakPolarHBondContact O-CB 3.35Å; T157-D159 PolarHBondContact O-N 3.43Å; D159-I178 WeakPolarHBondContact OD1-CD1 3.43Å; D159-H179 IonicContact OD1-CD2 3.37Å; D159-H179 IonicContact OD1-CE1 3.38Å; D159-H179 PolarHBondContact OD1-CE1 3.21Å; D159-H179 IonicContact OD1-NE2 2.73Å; D159-H179 PolarHBondContact OD1-NE2 3.3Å
160C97.6Very high94.8Very high0 Ų066 Ų660%033%0.329CS..G310 helixtrans-91.8-1.6-178.8-530000113.4F141 L142 F156 T157 D158 F162F141-C160 HydrophobicContact CB-CB 4.14Å; L142-C160 VanDerWaalsContact O-CA 3.31Å; L142-C160 WeakPolarHBondContact O-CA 3.48Å; L142-C160 WeakPolarHBondContact O-CB 3.28Å; F156-C160 HydrophobicContact CD2-CB 3.64Å; F156-C160 HydrophobicContact CE2-CB 3.59Å; F156-C160 HydrophobicContact CZ-CB 4.49Å; T157-C160 VanDerWaalsContact O-CB 3.24Å; T157-C160 WeakPolarHBondContact O-CB 3.42Å; T157-C160 PolarHBondContact O-N 3.11Å; T157-C160 PolarHBondContact OG1-SG 3.16Å; D158-C160 PolarHBondContact O-N 3.13Å; C160-F162 WeakPolarHBondContact O-CD2 3.29Å; C160-F162 WeakPolarHBondContact O-CE2 3.08Å
161K97.6Very high94.7Very high58 Ų5867.6 Ų67.625%0.25234%0.335SS..EExtended strand (participates in β ladder)trans-91.4121.4-179.1-66.2176.1-178.3169.10109.7I130 F156 D158 A177I130-K161 HydrophobicContact CG2-CB 3.85Å; I130-K161 HydrophobicContact CG2-CG 4.33Å; F156-K161 HydrophobicContact CE1-CG 4.48Å; F156-K161 HydrophobicContact CZ-CG 4.01Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.25Å; D158-K161 WeakPolarHBondContact OD1-CE 3.43Å; D158-K161 IonicContact OD1-NZ 2.67Å; D158-K161 PolarHBondContact OD1-NZ 2.93Å; K161-A177 HydrophobicContact CB-CB 3.86Å; K161-A177 WeakPolarHBondContact O-CB 3.4Å; K161-A177 PolarHBondContact O-N 3.35Å
162F98.1Very high94.6Very high0 Ų065.7 Ų65.70%033%0.327CS..EExtended strand (participates in β ladder)trans-119.4135.2177.6-58.7-81.5000111I130 V131 I133 L142 M144 C160 E164 Y174 A175 V190I130-F162 CarbonylContact C-O 3.54Å; I130-F162 WeakPolarHBondContact CA-O 3.41Å; V131-F162 HydrophobicContact CG2-CB 4.34Å; V131-F162 PolarHBondContact N-O 3.4Å; V131-F162 PolarHBondContact O-N 2.93Å; I133-F162 HydrophobicContact CD1-CD2 4.34Å; L142-F162 HydrophobicContact CB-CE2 4.01Å; L142-F162 HydrophobicContact CB-CZ 4.42Å; L142-F162 HydrophobicContact CD2-CE2 3.95Å; L142-F162 HydrophobicContact CD2-CZ 4.05Å; L142-F162 HydrophobicContact CG-CE2 3.82Å; L142-F162 HydrophobicContact CG-CZ 3.8Å; L142-F162 VanDerWaalsContact O-CE2 3.26Å; L142-F162 WeakPolarHBondContact O-CE2 3.26Å; M144-F162 HydrophobicContact CB-CE1 4.11Å; M144-F162 HydrophobicContact CB-CZ 4.44Å; M144-F162 HydrophobicContact CE-CE1 4.41Å; C160-F162 WeakPolarHBondContact O-CD2 3.29Å; C160-F162 WeakPolarHBondContact O-CE2 3.08Å; F162-E164 PolarHBondContact O-N 2.86Å; F162-Y174 HydrophobicContact CB-CD1 4.48Å; F162-A175 CarbonylContact C-O 3.57Å; F162-A175 WeakPolarHBondContact CA-O 3.4Å; F162-A175 WeakPolarHBondContact CB-O 3.41Å; F162-V190 HydrophobicContact CD1-CG2 3.74Å; F162-V190 HydrophobicContact CE1-CG2 3.62Å; F162-V190 HydrophobicContact CG-CG2 4.48Å; F162-V190 HydrophobicContact CZ-CG2 4.29Å
163R97.3Very high94.6Very high62 Ų6265.2 Ų65.223%0.23432%0.323CS..EExtended strand (participates in β ladder)trans-81.1113.6170.1-161.3177.564.7-152.6-13.3109.6G129 I130 R165 A175 E187G129-R163 CarbonylContact O-C 3.53Å; G129-R163 VanDerWaalsContact O-CA 3.25Å; G129-R163 WeakPolarHBondContact O-CA 3.29Å; G129-R163 WeakPolarHBondContact O-CG 3.48Å; I130-R163 HydrophobicContact CD1-CB 3.72Å; I130-R163 HydrophobicContact CD1-CG 3.75Å; R163-R165 VanDerWaalsContact CZ-NH2 3.3Å; R163-R165 VanDerWaalsContact NH2-NH1 3.1Å; R163-A175 PolarHBondContact N-O 3.18Å; R163-A175 PolarHBondContact O-N 3.21Å; R163-E187 IonicContact CZ-OE1 3.11Å; R163-E187 IonicContact CZ-OE2 3.91Å; R163-E187 IonicContact NH1-OE1 2.8Å; R163-E187 PolarHBondContact NH1-OE1 3.48Å; R163-E187 IonicContact NH2-OE1 2.62Å; R163-E187 PolarHBondContact NH2-OE1 2.77Å; R163-E187 IonicContact NH2-OE2 2.76Å; R163-E187 PolarHBondContact NH2-OE2 3.05Å
164E96.3Very high94.6Very high36 Ų3664.2 Ų64.217%0.16832%0.315CS..EExtended strand (participates in β ladder)trans-82.1124.3175-178.5167.7-123.700108.7R87 G129 V131 F162 N172 T173 Y174R87-E164 IonicContact CZ-OE2 3.89Å; R87-E164 IonicContact NH2-OE1 2.89Å; R87-E164 PolarHBondContact NH2-OE1 2.87Å; R87-E164 IonicContact NH2-OE2 3.95Å; R87-E164 PolarHBondContact NH2-OE2 3.3Å; G129-E164 PolarHBondContact O-N 2.79Å; V131-E164 HydrophobicContact CG1-CB 4Å; V131-E164 HydrophobicContact CG2-CB 4.04Å; F162-E164 PolarHBondContact O-N 2.86Å; E164-N172 HydrophobicContact CG-CB 4.42Å; E164-N172 PolarHBondContact OE1-ND2 2.84Å; E164-T173 WeakPolarHBondContact CA-O 3.46Å; E164-Y174 HydrophobicContact CB-CD1 4.09Å; E164-Y174 HydrophobicContact CB-CE1 3.84Å; E164-Y174 HydrophobicContact CG-CD1 4.3Å; E164-Y174 HydrophobicContact CG-CE1 3.65Å; E164-Y174 VanDerWaalsContact OE1-CE1 3.23Å; E164-Y174 WeakPolarHBondContact OE1-CE1 3.47Å; E164-Y174 VanDerWaalsContact OE1-CZ 3.32Å; E164-Y174 PolarHBondContact OE1-OH 3.43Å
165R95.1Very high94.6Very high116 Ų11661.1 Ų61.144%0.43829%0.29SS..EExtended strand (participates in β ladder)trans-126.4134.1170.5-75.7-168.9174.9152.1-2.3110.2R163 N172 T173 E187R163-R165 VanDerWaalsContact CZ-NH2 3.3Å; R163-R165 VanDerWaalsContact NH2-NH1 3.1Å; R165-N172 WeakPolarHBondContact O-CA 3.44Å; R165-T173 PolarHBondContact N-O 3.13Å; R165-T173 PolarHBondContact O-N 3.36Å; R165-T173 PolarHBondContact O-OG1 2.81Å; R165-E187 IonicContact NH1-OE1 3.96Å; R165-E187 IonicContact NH1-OE2 3.63Å
166F92.8Very high94.7Very high144 Ų14453.6 Ų53.663%0.63226%0.258SS*.EExtended strand (participates in β ladder)trans-75132.2170.8-167.7-100.4000109.5N172F166-N172 VanDerWaalsContact CD2-OD1 3.29Å; F166-N172 WeakPolarHBondContact CD2-OD1 3.43Å
167Q91.3Very high94.6Very high40 Ų4052.1 Ų52.119%0.18726%0.261CS..  trans-99.9150.9173.8-16170.220.900109.1N169 S170 Y171Q167-N169 PolarHBondContact O-N 2.92Å; Q167-S170 PolarHBondContact O-N 2.78Å; Q167-Y171 WeakPolarHBondContact CA-O 3.37Å; Q167-Y171 WeakPolarHBondContact CB-O 3.45Å; Q167-Y171 PolarHBondContact N-O 2.93Å
168E82.9Confident94.5Very high180 Ų18053 Ų5384%0.84126%0.262SS*.THydrogen-bonded Turntrans-50.5-27.9177.8-65.9166.5-17400113.9S170E168-S170 PolarHBondContact O-N 3.22Å
169N84.8Confident94.4Very high85 Ų8549.9 Ų49.946%0.45525%0.245SC..THydrogen-bonded Turntrans-80.213.3-179.4-64.7-20.9000114.5R94 Q167 Y171R94-N169 PolarHBondContact NH2-ND2 2.84Å; Q167-N169 PolarHBondContact O-N 2.92Å; N169-Y171 HydrophobicContact CB-CD2 4.04Å; N169-Y171 WeakPolarHBondContact O-CD2 3.44Å; N169-Y171 PolarHBondContact O-N 3.3Å
170S87.8Confident94.3Very high74 Ų7456 Ų5652%0.51727%0.265SS..SBendtrans62.719-172-53.90000115.2Q167 E168Q167-S170 PolarHBondContact O-N 2.78Å; E168-S170 PolarHBondContact O-N 3.22Å
171Y94.3Very high94.1Very high39 Ų3957.9 Ų57.915%0.15328%0.277CS..  trans-105.7151171.2-73.9-97.1000109.9R94 Q167 N169 H214 L216R94-Y171 HydrophobicContact CB-CE1 4.17Å; R94-Y171 HydrophobicContact CG-CE1 3.93Å; Q167-Y171 WeakPolarHBondContact CA-O 3.37Å; Q167-Y171 WeakPolarHBondContact CB-O 3.45Å; Q167-Y171 PolarHBondContact N-O 2.93Å; N169-Y171 HydrophobicContact CB-CD2 4.04Å; N169-Y171 WeakPolarHBondContact O-CD2 3.44Å; N169-Y171 PolarHBondContact O-N 3.3Å; Y171-H214 HydrophobicContact CD1-CB 3.81Å; Y171-H214 HydrophobicContact CG-CB 3.82Å; Y171-L216 HydrophobicContact CD1-CB 3.85Å; Y171-L216 HydrophobicContact CE1-CB 3.72Å
172N95.9Very high93.7Very high16 Ų1664 Ų649%0.08631%0.306CS..EExtended strand (participates in β ladder)trans-97.1149.9172.8-66.40.9000110.5E164 R165 F166 Y174 F215 P217E164-N172 HydrophobicContact CG-CB 4.42Å; E164-N172 PolarHBondContact OE1-ND2 2.84Å; R165-N172 WeakPolarHBondContact O-CA 3.44Å; F166-N172 VanDerWaalsContact CD2-OD1 3.29Å; F166-N172 WeakPolarHBondContact CD2-OD1 3.43Å; N172-Y174 HydrophobicContact CB-CE2 4.18Å; N172-F215 PolarHBondContact N-O 3.29Å; N172-F215 PolarHBondContact O-N 2.74Å; N172-P217 HydrophobicContact CB-CG 4.43Å; N172-P217 WeakPolarHBondContact ND2-CG 3.39Å
173T96.3Very high93.4Very high2 Ų273.7 Ų73.71%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-115.5144.3168.461.90000109.4E164 R165E164-T173 WeakPolarHBondContact CA-O 3.46Å; R165-T173 PolarHBondContact N-O 3.13Å; R165-T173 PolarHBondContact O-N 3.36Å; R165-T173 PolarHBondContact O-OG1 2.81Å
174Y97.6Very high93Very high1 Ų175.5 Ų75.50%0.00437%0.366CS..EExtended strand (participates in β ladder)trans-120.8104.9179.8-62.1-74.7000108.9L91 V131 I133 F162 E164 N172 Y189 V190 F215L91-Y174 HydrophobicContact CD1-CE2 4.06Å; L91-Y174 HydrophobicContact CD2-CE2 3.82Å; V131-Y174 HydrophobicContact CG2-CD1 3.91Å; V131-Y174 HydrophobicContact CG2-CE1 3.85Å; I133-Y174 HydrophobicContact CD1-CD1 4.19Å; I133-Y174 HydrophobicContact CD1-CE1 4.39Å; I133-Y174 HydrophobicContact CD1-CG 4.34Å; F162-Y174 HydrophobicContact CB-CD1 4.48Å; E164-Y174 HydrophobicContact CB-CD1 4.09Å; E164-Y174 HydrophobicContact CB-CE1 3.84Å; E164-Y174 HydrophobicContact CG-CD1 4.3Å; E164-Y174 HydrophobicContact CG-CE1 3.65Å; E164-Y174 VanDerWaalsContact OE1-CE1 3.23Å; E164-Y174 WeakPolarHBondContact OE1-CE1 3.47Å; E164-Y174 VanDerWaalsContact OE1-CZ 3.32Å; E164-Y174 PolarHBondContact OE1-OH 3.43Å; N172-Y174 HydrophobicContact CB-CE2 4.18Å; Y174-Y189 CarbonylContact O-C 3.41Å; Y174-Y189 WeakPolarHBondContact O-CA 3.34Å; Y174-V190 PolarHBondContact O-N 2.6Å; Y174-F215 HydrophobicContact CD2-CB 4.21Å; Y174-F215 HydrophobicContact CD2-CD2 4.02Å; Y174-F215 HydrophobicContact CD2-CG 4.33Å; Y174-F215 HydrophobicContact CE2-CB 3.83Å; Y174-F215 HydrophobicContact CE2-CD2 4.49Å; Y174-F215 HydrophobicContact CE2-CG 4.37Å
175A97.4Very high92.7Very high1 Ų175.9 Ų75.91%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-95.2147.1174.800000110.4F162 R163 A177 E187 W188 Y189F162-A175 CarbonylContact C-O 3.57Å; F162-A175 WeakPolarHBondContact CA-O 3.4Å; F162-A175 WeakPolarHBondContact CB-O 3.41Å; R163-A175 PolarHBondContact N-O 3.18Å; R163-A175 PolarHBondContact O-N 3.21Å; A175-A177 PolarHBondContact O-N 3.05Å; A175-E187 HydrophobicContact CB-CB 4.33Å; A175-W188 CarbonylContact C-O 3.56Å; A175-W188 VanDerWaalsContact CA-O 3.24Å; A175-W188 WeakPolarHBondContact CA-O 3.47Å; A175-Y189 HydrophobicContact CB-CD1 3.91Å; A175-Y189 HydrophobicContact CB-CE1 3.76Å; A175-Y189 HydrophobicContact CB-CG 4.44Å
176S97.3Very high92.7Very high7 Ų773.4 Ų73.45%0.04937%0.37CS..EExtended strand (participates in β ladder)trans-61.9135.2168.7-177.40000109.7I178 H179 W188S176-I178 VanDerWaalsContact C-N 3.34Å; S176-H179 WeakPolarHBondContact OG-CB 3.37Å; S176-H179 PolarHBondContact OG-CD2 3.22Å; S176-H179 PolarHBondContact OG-N 3Å; S176-H179 VanDerWaalsContact OG-N 3.12Å; S176-W188 PolarHBondContact N-O 2.97Å
177A95.9Very high92.8Very high48 Ų4868.7 Ų68.740%0.39735%0.35SS..EExtended strand (participates in β ladder)trans-70.9-31.7178.400000112.5I130 K161 A175I130-A177 HydrophobicContact CD1-CB 4.07Å; K161-A177 HydrophobicContact CB-CB 3.86Å; K161-A177 WeakPolarHBondContact O-CB 3.4Å; K161-A177 PolarHBondContact O-N 3.35Å; A175-A177 PolarHBondContact O-N 3.05Å
178I95.3Very high93.1Very high77 Ų7768 Ų6840%0.39535%0.346SS..EExtended strand (participates in β ladder)trans-106.1-34.2-174.958.2166.4000113.1D158 D159 S176D158-I178 HydrophobicContact CB-CD1 3.88Å; D158-I178 HydrophobicContact CB-CG2 4.16Å; D159-I178 WeakPolarHBondContact OD1-CD1 3.43Å; S176-I178 VanDerWaalsContact C-N 3.34Å
179H94.6Very high93.7Very high23 Ų2359.9 Ų59.911%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-91.9121.7-172.7-60.2-55.7000111.2M144 D159 S176 W188M144-H179 PolarHBondContact O-CD2 2.74Å; M144-H179 PolarHBondContact O-NE2 3.47Å; M144-H179 VanDerWaalsContact O-NE2 3.11Å; D159-H179 IonicContact OD1-CD2 3.37Å; D159-H179 IonicContact OD1-CE1 3.38Å; D159-H179 PolarHBondContact OD1-CE1 3.21Å; D159-H179 IonicContact OD1-NE2 2.73Å; D159-H179 PolarHBondContact OD1-NE2 3.3Å; S176-H179 WeakPolarHBondContact OG-CB 3.37Å; S176-H179 PolarHBondContact OG-CD2 3.22Å; S176-H179 PolarHBondContact OG-N 3Å; S176-H179 VanDerWaalsContact OG-N 3.12Å; H179-W188 HydrophobicContact CB-CD2 4.17Å; H179-W188 HydrophobicContact CB-CE3 3.49Å; H179-W188 VanDerWaalsContact CB-CE3 3.49Å; H179-W188 HydrophobicContact CB-CZ3 3.77Å
180R94.7Very high94.4Very high168 Ų16855.9 Ų55.963%0.63429%0.286SS*.EExtended strand (participates in β ladder)trans-146.3159.117459.3-177.2175.1179.4-1.3109.6E182 R186R180-E182 PolarHBondContact O-N 2.94Å; R180-R186 CarbonylContact C-O 3.5Å; R180-R186 WeakPolarHBondContact CA-O 3.49Å; R180-R186 WeakPolarHBondContact CB-O 3.46Å
181T93.6Very high94.8Very high39 Ų3952.4 Ų52.424%0.23926%0.262CS..EExtended strand (participates in β ladder)trans-71.2111.1171.5-57.50000108.9K183 T184 G185 R186 W188T181-K183 VanDerWaalsContact C-N 3.34Å; T181-K183 PolarHBondContact O-N 3.31Å; T181-T184 WeakPolarHBondContact CB-OG1 3.17Å; T181-T184 VanDerWaalsContact CG2-OG1 3.28Å; T181-T184 WeakPolarHBondContact CG2-OG1 3.41Å; T181-T184 PolarHBondContact O-N 2.84Å; T181-G185 VanDerWaalsContact O-CA 3.29Å; T181-G185 WeakPolarHBondContact O-CA 3.32Å; T181-G185 PolarHBondContact O-N 2.79Å; T181-R186 PolarHBondContact N-O 3.26Å; T181-R186 PolarHBondContact O-N 2.97Å; T181-W188 PolarHBondContact OG1-NE1 3.32Å
182E89.3Confident95Very high186 Ų18650.5 Ų50.587%0.86925%0.254SS*.THydrogen-bonded Turntrans-57.1-45.1-178-65.8174.5176.200112.4R180 T184R180-E182 PolarHBondContact O-N 2.94Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.33Å
183K89.9Confident95Very high204 Ų20451.9 Ų51.989%0.88726%0.262SS*.THydrogen-bonded Turntrans-63-30.3-176.6-62.4-172.5178.2-1730114.5T181T181-K183 VanDerWaalsContact C-N 3.34Å; T181-K183 PolarHBondContact O-N 3.31Å
184T89.9Confident94.9Very high100 Ų10059.2 Ų59.261%0.61329%0.294SS*.THydrogen-bonded Turntrans-123.8-1.2-171.259.70000113.4T181 E182 R186T181-T184 WeakPolarHBondContact CB-OG1 3.17Å; T181-T184 VanDerWaalsContact CG2-OG1 3.28Å; T181-T184 WeakPolarHBondContact CG2-OG1 3.41Å; T181-T184 PolarHBondContact O-N 2.84Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.33Å; T184-R186 PolarHBondContact O-N 3.04Å; T184-R186 VanDerWaalsContact O-N 3.1Å; T184-R186 WeakPolarHBondContact OG1-CB 3.25Å
185G91Very high94.8Very high44 Ų4469.3 Ų69.345%0.45433%0.331SS..THydrogen-bonded Turntrans64.17.4-172.100000114.5T181 E187T181-G185 VanDerWaalsContact O-CA 3.29Å; T181-G185 WeakPolarHBondContact O-CA 3.32Å; T181-G185 PolarHBondContact O-N 2.79Å; G185-E187 PolarHBondContact O-N 2.69Å
186R93.8Very high94.7Very high64 Ų6469.3 Ų69.324%0.24233%0.332CS..EExtended strand (participates in β ladder)trans-72127.8-171.8178.6-179170.3166.30.5112R180 T181 T184 S203 P204 V206R180-R186 CarbonylContact C-O 3.5Å; R180-R186 WeakPolarHBondContact CA-O 3.49Å; R180-R186 WeakPolarHBondContact CB-O 3.46Å; T181-R186 PolarHBondContact N-O 3.26Å; T181-R186 PolarHBondContact O-N 2.97Å; T184-R186 PolarHBondContact O-N 3.04Å; T184-R186 VanDerWaalsContact O-N 3.1Å; T184-R186 WeakPolarHBondContact OG1-CB 3.25Å; R186-S203 PolarHBondContact NH2-O 2.83Å; R186-P204 VanDerWaalsContact NH1-CA 3.29Å; R186-P204 PolarHBondContact NH1-O 3.05Å; R186-P204 PolarHBondContact NH2-O 3.3Å; R186-V206 PolarHBondContact NH2-O 3.19Å
187E95.1Very high94.6Very high44 Ų4475.1 Ų75.121%0.20636%0.356CS..EExtended strand (participates in β ladder)trans-75.9148.9179.6-60.3169.1156.800112.2R163 R165 A175 G185 Y189R163-E187 IonicContact CZ-OE1 3.11Å; R163-E187 IonicContact CZ-OE2 3.91Å; R163-E187 IonicContact NH1-OE1 2.8Å; R163-E187 PolarHBondContact NH1-OE1 3.48Å; R163-E187 IonicContact NH2-OE1 2.62Å; R163-E187 PolarHBondContact NH2-OE1 2.77Å; R163-E187 IonicContact NH2-OE2 2.76Å; R163-E187 PolarHBondContact NH2-OE2 3.05Å; R165-E187 IonicContact NH1-OE1 3.96Å; R165-E187 IonicContact NH1-OE2 3.63Å; A175-E187 HydrophobicContact CB-CB 4.33Å; G185-E187 PolarHBondContact O-N 2.69Å; E187-Y189 HydrophobicContact CB-CE2 3.71Å; E187-Y189 WeakPolarHBondContact O-CD2 3.17Å; E187-Y189 WeakPolarHBondContact O-CE2 3.4Å; E187-Y189 PolarHBondContact OE2-OH 3.2Å
188W96.8Very high94.6Very high26 Ų2674.4 Ų74.410%0.09835%0.35CS..EExtended strand (participates in β ladder)trans-102.9128.9179.2-66.11.6000110.3M144 K146 G148 A175 S176 H179 T181 C202M144-W188 HydrophobicContact CE-CB 4.44Å; M144-W188 HydrophobicContact SD-CB 3.65Å; M144-W188 HydrophobicContact SD-CE3 3.98Å; K146-W188 WeakPolarHBondContact O-CH2 3.18Å; K146-W188 VanDerWaalsContact O-CZ3 3.24Å; K146-W188 WeakPolarHBondContact O-CZ3 3.12Å; G148-W188 VanDerWaalsContact N-CZ3 3.34Å; A175-W188 CarbonylContact C-O 3.56Å; A175-W188 VanDerWaalsContact CA-O 3.24Å; A175-W188 WeakPolarHBondContact CA-O 3.47Å; S176-W188 PolarHBondContact N-O 2.97Å; H179-W188 HydrophobicContact CB-CD2 4.17Å; H179-W188 HydrophobicContact CB-CE3 3.49Å; H179-W188 VanDerWaalsContact CB-CE3 3.49Å; H179-W188 HydrophobicContact CB-CZ3 3.77Å; T181-W188 PolarHBondContact OG1-NE1 3.32Å; W188-C202 HydrophobicContact CD2-CB 3.8Å; W188-C202 VanDerWaalsContact CE2-CB 3.43Å; W188-C202 HydrophobicContact CE3-CB 4.19Å; W188-C202 HydrophobicContact CG-CB 4.41Å; W188-C202 HydrophobicContact CH2-CB 3.96Å; W188-C202 HydrophobicContact CZ2-CB 3.52Å; W188-C202 HydrophobicContact CZ3-CB 4.28Å
189Y97.2Very high94.7Very high10 Ų1072.7 Ų72.74%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-109.7147.6-174.2-63.1-100.7000111.7Y174 A175 E187 A191 G201 P208 T213Y174-Y189 CarbonylContact O-C 3.41Å; Y174-Y189 WeakPolarHBondContact O-CA 3.34Å; A175-Y189 HydrophobicContact CB-CD1 3.91Å; A175-Y189 HydrophobicContact CB-CE1 3.76Å; A175-Y189 HydrophobicContact CB-CG 4.44Å; E187-Y189 HydrophobicContact CB-CE2 3.71Å; E187-Y189 WeakPolarHBondContact O-CD2 3.17Å; E187-Y189 WeakPolarHBondContact O-CE2 3.4Å; E187-Y189 PolarHBondContact OE2-OH 3.2Å; Y189-A191 PolarHBondContact O-N 3.2Å; Y189-G201 WeakPolarHBondContact O-CA 3.49Å; Y189-P208 HydrophobicContact CE1-CB 3.91Å; Y189-P208 HydrophobicContact CE2-CB 4.27Å; Y189-P208 HydrophobicContact CE2-CG 4.21Å; Y189-T213 HydrophobicContact CG-CG2 4.15Å
190V97.8Very high94.7Very high1 Ų179.3 Ų79.31%0.00636%0.364CS..  trans-59.8132.2161.6-178.50000107.2L142 M144 L150 F162 Y174 F215L142-V190 HydrophobicContact CD2-CG1 4.23Å; L142-V190 HydrophobicContact CD2-CG2 4.07Å; M144-V190 HydrophobicContact CE-CG2 4.41Å; L150-V190 HydrophobicContact CD1-CB 4.43Å; L150-V190 HydrophobicContact CD1-CG1 3.77Å; L150-V190 HydrophobicContact CD2-CG1 4.5Å; L150-V190 HydrophobicContact CD2-CG2 4.14Å; F162-V190 HydrophobicContact CD1-CG2 3.74Å; F162-V190 HydrophobicContact CE1-CG2 3.62Å; F162-V190 HydrophobicContact CG-CG2 4.48Å; F162-V190 HydrophobicContact CZ-CG2 4.29Å; Y174-V190 PolarHBondContact O-N 2.6Å; V190-F215 HydrophobicContact CB-CE2 4.21Å; V190-F215 HydrophobicContact CG1-CE2 3.92Å; V190-F215 HydrophobicContact CG1-CZ 3.84Å; V190-F215 WeakPolarHBondContact O-CE2 3.37Å
191A97.2Very high94.7Very high0 Ų071.3 Ų71.30%033%0.334CS..  trans-154.5145.4-178.300000112.9Y189 K199 V206 S212 T213Y189-A191 PolarHBondContact O-N 3.2Å; A191-K199 HydrophobicContact CB-CB 4.05Å; A191-K199 HydrophobicContact CB-CD 4.5Å; A191-K199 PolarHBondContact O-N 3.04Å; A191-V206 HydrophobicContact CB-CG1 3.76Å; A191-V206 HydrophobicContact CB-CG2 3.93Å; A191-S212 WeakPolarHBondContact CA-O 3.5Å; A191-S212 WeakPolarHBondContact CB-O 3.37Å; A191-T213 HydrophobicContact CB-CG2 4.06Å
192L97.4Very high94.7Very high0 Ų071.5 Ų71.50%034%0.336CS..BIsolated β-bridgetrans-110.6149.6171.1-61.8-178.4000110.9C93 V95 F99 L101 A198 S212 F215C93-L192 HydrophobicContact CB-CD1 4.07Å; V95-L192 HydrophobicContact CG1-CB 4.04Å; F99-L192 HydrophobicContact CB-CD1 3.89Å; L101-L192 HydrophobicContact CD1-CD1 4.35Å; L101-L192 HydrophobicContact CD1-CD2 3.92Å; L101-L192 HydrophobicContact CD1-CG 4.39Å; L192-A198 HydrophobicContact CD2-CB 4.43Å; L192-S212 PolarHBondContact N-O 2.95Å; L192-S212 VanDerWaalsContact N-O 3.13Å; L192-S212 WeakPolarHBondContact O-CB 3.49Å; L192-F215 HydrophobicContact CD1-CE1 4.09Å; L192-F215 HydrophobicContact CG-CE1 4.15Å; L192-F215 HydrophobicContact CG-CZ 4.14Å
193N96.3Very high95Very high44 Ų4464 Ų6424%0.23531%0.305CS..  trans-85.4171.8171.77313.8000111.1V95 R195 G196 K197 K199V95-N193 WeakPolarHBondContact CG1-O 3.45Å; N193-R195 PolarHBondContact O-N 3.34Å; N193-R195 VanDerWaalsContact OD1-CA 3.23Å; N193-R195 WeakPolarHBondContact OD1-CA 3.41Å; N193-R195 WeakPolarHBondContact OD1-CB 3.17Å; N193-R195 PolarHBondContact OD1-N 2.87Å; N193-G196 PolarHBondContact O-N 3.43Å; N193-G196 PolarHBondContact OD1-N 2.75Å; N193-K197 VanDerWaalsContact CG-O 3.31Å; N193-K197 PolarHBondContact N-O 3.16Å; N193-K197 WeakPolarHBondContact ND2-CB 3.27Å; N193-K197 PolarHBondContact OD1-N 3.29Å; N193-K197 PolarHBondContact OD1-O 2.97Å; N193-K199 HydrophobicContact CB-CD 3.93Å; N193-K199 HydrophobicContact CB-CG 3.8Å
194K95.7Very high95.1Very high157 Ų15758.8 Ų58.868%0.68329%0.291SS*.THydrogen-bonded Turntrans-61.1-11.8176.1-64.1-175.9177.2-172.90114.2V95 F99V95-K194 HydrophobicContact CG2-CG 3.92Å; F99-K194 WeakPolarHBondContact CE2-O 3.4Å; F99-K194 WeakPolarHBondContact CZ-O 3.04Å
195R94.9Very high95.1Very high212 Ų21263.2 Ų63.280%0.830%0.297SS*.THydrogen-bonded Turntrans-102.99.8177.5-54.5-178.3-178.2-179.3-0.1112.3N193 K197N193-R195 PolarHBondContact O-N 3.34Å; N193-R195 VanDerWaalsContact OD1-CA 3.23Å; N193-R195 WeakPolarHBondContact OD1-CA 3.41Å; N193-R195 WeakPolarHBondContact OD1-CB 3.17Å; N193-R195 PolarHBondContact OD1-N 2.87Å; R195-K197 VanDerWaalsContact C-N 3.3Å; R195-K197 PolarHBondContact O-N 3.46Å
196G94Very high95.3Very high1 Ų161.1 Ų61.11%0.0128%0.275CS..SBendtrans77.6-5-177.600000116.1F99 N110 G111 N193F99-G196 VanDerWaalsContact CD1-CA 3.5Å; F99-G196 VanDerWaalsContact CZ-N 3.31Å; N110-G196 CarbonylContact C-O 3.52Å; G111-G196 WeakPolarHBondContact CA-O 3.37Å; G111-G196 PolarHBondContact N-O 2.72Å; N193-G196 PolarHBondContact O-N 3.43Å; N193-G196 PolarHBondContact OD1-N 2.75Å
197K96.2Very high95.3Very high129 Ų12963.4 Ų63.456%0.56129%0.287SS*.BIsolated β-bridgetrans-77.9145.2178.4-51.6-172.8174.8-175.90111.8N193 R195 K199N193-K197 VanDerWaalsContact CG-O 3.31Å; N193-K197 PolarHBondContact N-O 3.16Å; N193-K197 WeakPolarHBondContact ND2-CB 3.27Å; N193-K197 PolarHBondContact OD1-N 3.29Å; N193-K197 PolarHBondContact OD1-O 2.97Å; R195-K197 VanDerWaalsContact C-N 3.3Å; R195-K197 PolarHBondContact O-N 3.46Å; K197-K199 PolarHBondContact O-N 3.43Å
198A96.6Very high95.2Very high33 Ų3362.7 Ų62.727%0.27329%0.286SS..BIsolated β-bridgetrans-60.7132.717400000112.1V109 L150 L192V109-A198 WeakPolarHBondContact O-CB 3.44Å; L150-A198 HydrophobicContact CB-CB 4.18Å; L150-A198 HydrophobicContact CD1-CB 4.06Å; L192-A198 HydrophobicContact CD2-CB 4.43Å
199K95.9Very high95Very high41 Ų4167.8 Ų67.818%0.17831%0.311CS..PPolyproline II helixtrans-92.5155172.6-70.4177.668.5-178.70110.1A191 N193 K197 V206A191-K199 HydrophobicContact CB-CB 4.05Å; A191-K199 HydrophobicContact CB-CD 4.5Å; A191-K199 PolarHBondContact O-N 3.04Å; N193-K199 HydrophobicContact CB-CD 3.93Å; N193-K199 HydrophobicContact CB-CG 3.8Å; K197-K199 PolarHBondContact O-N 3.43Å; K199-V206 HydrophobicContact CB-CG2 4.13Å; K199-V206 HydrophobicContact CD-CG2 4.34Å
200R96.3Very high94.9Very high162 Ų16271 Ų7161%0.61133%0.326SS*.PPolyproline II helixtrans-72.1127.8169.6-66.7-172-69.3-164.5-1.3110.1G148 C202 S203G148-R200 CarbonylContact O-C 3.56Å; G148-R200 WeakPolarHBondContact O-CA 3.42Å; R200-C202 VanDerWaalsContact C-N 3.26Å; R200-C202 PolarHBondContact O-N 3.45Å; R200-S203 WeakPolarHBondContact O-CB 3.41Å; R200-S203 PolarHBondContact O-N 3.06Å
201G94Very high94.7Very high0 Ų074 Ų740%034%0.342CS..THydrogen-bonded Turntrans-62.7-30.9179.200000113.4G148 Y189 S203G148-G201 PolarHBondContact O-N 2.75Å; Y189-G201 WeakPolarHBondContact O-CA 3.49Å; G201-S203 PolarHBondContact O-N 2.68Å
202C94.3Very high94.7Very high44 Ų4474 Ų7430%0.29734%0.342SS..THydrogen-bonded Turntrans-71-7.7174.765.40000114.1K147 W188 R200K147-C202 PolarHBondContact O-SG 3.38Å; W188-C202 HydrophobicContact CD2-CB 3.8Å; W188-C202 VanDerWaalsContact CE2-CB 3.43Å; W188-C202 HydrophobicContact CE3-CB 4.19Å; W188-C202 HydrophobicContact CG-CB 4.41Å; W188-C202 HydrophobicContact CH2-CB 3.96Å; W188-C202 HydrophobicContact CZ2-CB 3.52Å; W188-C202 HydrophobicContact CZ3-CB 4.28Å; R200-C202 VanDerWaalsContact C-N 3.26Å; R200-C202 PolarHBondContact O-N 3.45Å
203S94.1Very high94.6Very high29 Ų2974 Ų7420%0.20334%0.342CS..SBendtrans-66.7136.9-1771800000111.3R186 R200 G201 R205 V206R186-S203 PolarHBondContact NH2-O 2.83Å; R200-S203 WeakPolarHBondContact O-CB 3.41Å; R200-S203 PolarHBondContact O-N 3.06Å; G201-S203 PolarHBondContact O-N 2.68Å; S203-R205 PolarHBondContact O-N 2.76Å; S203-V206 PolarHBondContact O-N 2.85Å
204P91.6Very high94.6Very high94 Ų9472 Ų7261%0.6133%0.331SS*.THydrogen-bonded Turntrans-62.9-18.3-179.723.9-34000113.6R186 V206R186-P204 VanDerWaalsContact NH1-CA 3.29Å; R186-P204 PolarHBondContact NH1-O 3.05Å; R186-P204 PolarHBondContact NH2-O 3.3Å; P204-V206 VanDerWaalsContact C-N 3.34Å
205R91.8Very high94.7Very high193 Ų19364.5 Ų64.573%0.72830%0.298SS*.THydrogen-bonded Turntrans-82.4-7.3177.5-56.9-178.4-172.6174.22.3113.8S203S203-R205 PolarHBondContact O-N 2.76Å
206V94.8Very high94.7Very high0 Ų057.2 Ų57.20%028%0.275CS..  trans-99.588.2-176.9175.30000108.6R186 A191 K199 S203 P204 T213R186-V206 PolarHBondContact NH2-O 3.19Å; A191-V206 HydrophobicContact CB-CG1 3.76Å; A191-V206 HydrophobicContact CB-CG2 3.93Å; K199-V206 HydrophobicContact CB-CG2 4.13Å; K199-V206 HydrophobicContact CD-CG2 4.34Å; S203-V206 PolarHBondContact O-N 2.85Å; P204-V206 VanDerWaalsContact C-N 3.34Å; V206-T213 HydrophobicContact CG1-CG2 3.57Å
207K93.6Very high94.7Very high111 Ų11158.2 Ų58.248%0.48328%0.281SS..  trans-109.6153.8-178.8-67.7-174.5177.6-176.50110.1Q209 H210 T213K207-Q209 PolarHBondContact O-N 2.77Å; K207-H210 HydrophobicContact CB-CB 4.28Å; K207-H210 WeakPolarHBondContact O-CB 3.08Å; K207-H210 PolarHBondContact O-N 3.16Å; K207-T213 WeakPolarHBondContact O-CG2 3.23Å; K207-T213 PolarHBondContact O-OG1 3.33Å
208P92.8Very high94.5Very high30 Ų3057 Ų5720%0.19527%0.273CS..THydrogen-bonded Turntrans-58.5-33.5176.717.2-25.6000113.2Y189 H210 T213 H214Y189-P208 HydrophobicContact CE1-CB 3.91Å; Y189-P208 HydrophobicContact CE2-CB 4.27Å; Y189-P208 HydrophobicContact CE2-CG 4.21Å; P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.5Å; P208-T213 PolarHBondContact O-OG1 3.02Å; P208-H214 PolarHBondContact O-CD2 3.44Å; P208-H214 PolarHBondContact O-NE2 3.35Å
209Q92.7Very high94.1Very high132 Ų13259.3 Ų59.362%0.61728%0.277SS*.THydrogen-bonded Turntrans-76.3-15.8178.2-5682.23.300113.4K207K207-Q209 PolarHBondContact O-N 2.77Å
210H94.5Very high93.3Very high78 Ų7864.8 Ų64.836%0.36130%0.301SS..SBendtrans-83.6131.9-172-174-91.1000111.3K207 P208 S212 T213 H214K207-H210 HydrophobicContact CB-CB 4.28Å; K207-H210 WeakPolarHBondContact O-CB 3.08Å; K207-H210 PolarHBondContact O-N 3.16Å; P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.5Å; H210-S212 VanDerWaalsContact ND1-CB 3.31Å; H210-S212 WeakPolarHBondContact ND1-CB 3.31Å; H210-S212 PolarHBondContact ND1-N 2.99Å; H210-S212 VanDerWaalsContact ND1-N 3.19Å; H210-S212 PolarHBondContact ND1-OG 2.86Å; H210-S212 PolarHBondContact O-N 3.29Å; H210-T213 PolarHBondContact O-N 3.44Å; H210-T213 PolarHBondContact O-OG1 2.77Å; H210-H214 PolarHBondContact O-CD2 3.14Å
211I94.3Very high91.5Very high65 Ų6565.5 Ų65.533%0.33331%0.311SS..G310 helixtrans-51.6-22.9-176.658.7169000115.7V95 T213 H214V95-I211 HydrophobicContact CG2-CD1 4.33Å; V95-I211 HydrophobicContact CG2-CG1 4.41Å; I211-T213 PolarHBondContact O-N 3.08Å; I211-H214 PolarHBondContact O-N 3.47Å
212S95.9Very high89.6Confident0 Ų070.1 Ų70.10%034%0.344CS..G310 helixtrans-65.6-21.3176.164.50000114.7A191 L192 H210A191-S212 WeakPolarHBondContact CA-O 3.5Å; A191-S212 WeakPolarHBondContact CB-O 3.37Å; L192-S212 PolarHBondContact N-O 2.95Å; L192-S212 VanDerWaalsContact N-O 3.13Å; L192-S212 WeakPolarHBondContact O-CB 3.49Å; H210-S212 VanDerWaalsContact ND1-CB 3.31Å; H210-S212 WeakPolarHBondContact ND1-CB 3.31Å; H210-S212 PolarHBondContact ND1-N 2.99Å; H210-S212 VanDerWaalsContact ND1-N 3.19Å; H210-S212 PolarHBondContact ND1-OG 2.86Å; H210-S212 PolarHBondContact O-N 3.29Å
213T96.4Very high87.4Confident0 Ų076.8 Ų76.80%037%0.37CS..G310 helixtrans-99.5-3.3-179.856.60000112.3Y189 A191 V206 K207 P208 H210 I211 F215Y189-T213 HydrophobicContact CG-CG2 4.15Å; A191-T213 HydrophobicContact CB-CG2 4.06Å; V206-T213 HydrophobicContact CG1-CG2 3.57Å; K207-T213 WeakPolarHBondContact O-CG2 3.23Å; K207-T213 PolarHBondContact O-OG1 3.33Å; P208-T213 PolarHBondContact O-OG1 3.02Å; H210-T213 PolarHBondContact O-N 3.44Å; H210-T213 PolarHBondContact O-OG1 2.77Å; I211-T213 PolarHBondContact O-N 3.08Å; T213-F215 VanDerWaalsContact O-CD2 3.25Å; T213-F215 WeakPolarHBondContact O-CD2 3.38Å
214H96.1Very high85Confident1 Ų181 Ų811%0.00539%0.387CS..  trans-88.6114.3-175.8-72-140.2000107.9C93 R94 Y171 P208 H210 I211C93-H214 WeakPolarHBondContact CA-O 3.21Å; C93-H214 PolarHBondContact SG-O 2.83Å; R94-H214 PolarHBondContact NH2-ND1 2.95Å; R94-H214 VanDerWaalsContact NH2-ND1 3.2Å; Y171-H214 HydrophobicContact CD1-CB 3.81Å; Y171-H214 HydrophobicContact CG-CB 3.82Å; P208-H214 PolarHBondContact O-CD2 3.44Å; P208-H214 PolarHBondContact O-NE2 3.35Å; H210-H214 PolarHBondContact O-CD2 3.14Å; I211-H214 PolarHBondContact O-N 3.47Å
215F97Very high83.1Confident0 Ų082.2 Ų82.20%040%0.395CS..EExtended strand (participates in β ladder)trans-120129.5176.9-66.8-90.2000109.4L91 Y92 C93 L101 N172 Y174 V190 L192 T213 P217L91-F215 HydrophobicContact CB-CD1 4.11Å; L91-F215 HydrophobicContact CD2-CB 4.37Å; Y92-F215 CarbonylContact O-C 3.57Å; Y92-F215 WeakPolarHBondContact O-CA 3.49Å; C93-F215 HydrophobicContact CB-CD1 3.74Å; C93-F215 HydrophobicContact CB-CE1 3.62Å; C93-F215 HydrophobicContact CB-CZ 4.29Å; L101-F215 HydrophobicContact CB-CE1 4.41Å; N172-F215 PolarHBondContact N-O 3.29Å; N172-F215 PolarHBondContact O-N 2.74Å; Y174-F215 HydrophobicContact CD2-CB 4.21Å; Y174-F215 HydrophobicContact CD2-CD2 4.02Å; Y174-F215 HydrophobicContact CD2-CG 4.33Å; Y174-F215 HydrophobicContact CE2-CB 3.83Å; Y174-F215 HydrophobicContact CE2-CD2 4.49Å; Y174-F215 HydrophobicContact CE2-CG 4.37Å; V190-F215 HydrophobicContact CB-CE2 4.21Å; V190-F215 HydrophobicContact CG1-CE2 3.92Å; V190-F215 HydrophobicContact CG1-CZ 3.84Å; V190-F215 WeakPolarHBondContact O-CE2 3.37Å; L192-F215 HydrophobicContact CD1-CE1 4.09Å; L192-F215 HydrophobicContact CG-CE1 4.15Å; L192-F215 HydrophobicContact CG-CZ 4.14Å; T213-F215 VanDerWaalsContact O-CD2 3.25Å; T213-F215 WeakPolarHBondContact O-CD2 3.38Å; F215-P217 WeakPolarHBondContact O-CD 3.39Å
216L95.4Very high81Confident58 Ų5881 Ų8130%0.30440%0.397SS..EExtended strand (participates in β ladder)trans-95.6113.4172.4179.463.8000108Y92 Y171 R218Y92-L216 HydrophobicContact CD1-CB 4.41Å; Y92-L216 PolarHBondContact N-O 3.5Å; Y92-L216 PolarHBondContact O-N 3.45Å; Y171-L216 HydrophobicContact CD1-CB 3.85Å; Y171-L216 HydrophobicContact CE1-CB 3.72Å; L216-R218 HydrophobicContact CD2-CG 4.38Å; L216-R218 HydrophobicContact CG-CG 4.25Å; L216-R218 PolarHBondContact O-N 3.26Å
217P94Very high79.1Confident23 Ų2387.1 Ų87.115%0.14943%0.429CS..EExtended strand (participates in β ladder)trans-68.3119.4171.1-15.830.9000110.1L91 N172 F215 F219L91-P217 HydrophobicContact CD2-CB 4.09Å; L91-P217 HydrophobicContact CD2-CG 4.06Å; N172-P217 HydrophobicContact CB-CG 4.43Å; N172-P217 WeakPolarHBondContact ND2-CG 3.39Å; F215-P217 WeakPolarHBondContact O-CD 3.39Å; P217-F219 HydrophobicContact CB-CD2 4.27Å; P217-F219 HydrophobicContact CB-CE1 3.81Å; P217-F219 HydrophobicContact CB-CE2 3.49Å; P217-F219 VanDerWaalsContact CB-CE2 3.49Å; P217-F219 HydrophobicContact CB-CZ 3.22Å; P217-F219 HydrophobicContact CG-CE2 4.45Å; P217-F219 HydrophobicContact CG-CZ 4.16Å
218R92.9Very high76.8Confident104 Ų10486.1 Ų86.139%0.39244%0.436SS..EExtended strand (participates in β ladder)trans-110.587.9174.2-54.7-169.8-49.7165.718.2107.9G89 S90 H100 L216G89-R218 CarbonylContact C-O 3.43Å; G89-R218 WeakPolarHBondContact CA-O 3.49Å; S90-R218 PolarHBondContact N-O 3.42Å; S90-R218 PolarHBondContact O-N 2.65Å; S90-R218 PolarHBondContact OG-NE 2.84Å; S90-R218 PolarHBondContact OG-NH2 3.46Å; H100-R218 PolarHBondContact CD2-NH2 3.35Å; H100-R218 VanDerWaalsContact CD2-NH2 3.29Å; H100-R218 PolarHBondContact NE2-NH1 2.93Å; H100-R218 PolarHBondContact NE2-NH2 3.28Å; L216-R218 HydrophobicContact CD2-CG 4.38Å; L216-R218 HydrophobicContact CG-CG 4.25Å; L216-R218 PolarHBondContact O-N 3.26Å
219F88.1Confident75.1Confident81 Ų8192.7 Ų92.736%0.35546%0.462SS..EExtended strand (participates in β ladder)trans-74.7138.1180-56.2-58.2000110.4R87 T88 I123 P217R87-F219 HydrophobicContact CB-CD1 3.48Å; R87-F219 VanDerWaalsContact CB-CD1 3.48Å; R87-F219 HydrophobicContact CB-CD2 4.44Å; R87-F219 HydrophobicContact CB-CE1 3.31Å; R87-F219 HydrophobicContact CB-CE2 4.3Å; R87-F219 HydrophobicContact CB-CG 4.06Å; R87-F219 HydrophobicContact CB-CZ 3.76Å; R87-F219 HydrophobicContact CG-CE1 4.32Å; R87-F219 HydrophobicContact CG-CZ 4.3Å; R87-F219 VanDerWaalsContact CZ-CZ 3.49Å; T88-F219 WeakPolarHBondContact O-CA 3.13Å; I123-F219 HydrophobicContact CD1-CE1 3.85Å; I123-F219 HydrophobicContact CD1-CZ 4.19Å; I123-F219 HydrophobicContact CG1-CE1 4.35Å; P217-F219 HydrophobicContact CB-CD2 4.27Å; P217-F219 HydrophobicContact CB-CE1 3.81Å; P217-F219 HydrophobicContact CB-CE2 3.49Å; P217-F219 VanDerWaalsContact CB-CE2 3.49Å; P217-F219 HydrophobicContact CB-CZ 3.22Å; P217-F219 HydrophobicContact CG-CE2 4.45Å; P217-F219 HydrophobicContact CG-CZ 4.16Å
220K78.9Confident73.5Confident155 Ų15592.2 Ų92.267%0.67447%0.468SS*.  trans-85.3115.1164.3-66.9-167.3177.1-169.80105.4T88 S222T88-K220 PolarHBondContact O-N 3.39Å; K220-S222 VanDerWaalsContact C-N 3.35Å; K220-S222 PolarHBondContact O-N 3.47Å
221Q58.9Low71.4Confident178 Ų17893.7 Ų93.783%0.83248%0.483SS*.  trans-63.6106.4163.6-165.1165.21.400104.5E223Q221-E223 PolarHBondContact O-N 3.1Å; Q221-E223 VanDerWaalsContact O-N 3.13Å
222S54.3Low69.5Low97 Ų9796.3 Ų96.368%0.67850%0.502SS*.  trans-55.4123.2164.551.60000104.7K220 Q224K220-S222 VanDerWaalsContact C-N 3.35Å; K220-S222 PolarHBondContact O-N 3.47Å; S222-Q224 PolarHBondContact O-N 3.39Å
223E47.4Very low67.5Low183 Ų183102 Ų10286%0.85554%0.536SS*.  trans-43.9124.9168-63.1-158.8163.700106.8Q221Q221-E223 PolarHBondContact O-N 3.1Å; Q221-E223 VanDerWaalsContact O-N 3.13Å
224Q44Very low65Low118 Ų118107.2 Ų107.255%0.55157%0.57SS**  trans-53.3135.6173.4-64.3-152.5-16.800105.7S222 E226S222-Q224 PolarHBondContact O-N 3.39Å; Q224-E226 VanDerWaalsContact C-N 3.3Å; Q224-E226 PolarHBondContact O-N 3.11Å
225P51.6Low62.8Low119 Ų119116 Ų11677%0.77361%0.611SS**  trans-51.2114159.122.2-28.1000103.6L227P225-L227 PolarHBondContact O-N 3.38Å
226E47.7Very low60Low168 Ų168125 Ų12579%0.78565%0.651SS**  trans-43120.2-173.9-75.6-149.4153.400106.1Q224 S228Q224-E226 VanDerWaalsContact C-N 3.3Å; Q224-E226 PolarHBondContact O-N 3.11Å; E226-S228 PolarHBondContact O-N 2.93Å; E226-S228 PolarHBondContact O-OG 3.39Å
227L55.3Low57.4Low128 Ų128131.2 Ų131.267%0.6768%0.675SS**  trans-65.974.8167.1-72.7171.9000105.2P225 F229P225-L227 PolarHBondContact O-N 3.38Å; L227-F229 WeakPolarHBondContact O-CD1 3.17Å; L227-F229 PolarHBondContact O-N 3.4Å
228S45.3Very low55Low91 Ų91139.8 Ų139.864%0.63671%0.71SS**  trans-69.875.9160.349.30000104.4E226 T230E226-S228 PolarHBondContact O-N 2.93Å; E226-S228 PolarHBondContact O-OG 3.39Å; S228-T230 PolarHBondContact O-N 3Å
229F56.7Low52.5Low168 Ų168140 Ų14074%0.73773%0.725SS**  trans-63.498.9153.453.8-87.8000104.4L227 V231L227-F229 WeakPolarHBondContact O-CD1 3.17Å; L227-F229 PolarHBondContact O-N 3.4Å; F229-V231 VanDerWaalsContact C-N 3.28Å; F229-V231 HydrophobicContact CD2-CG2 3.71Å; F229-V231 HydrophobicContact CE2-CG2 3.94Å; F229-V231 PolarHBondContact O-N 3.45Å
230T58.4Low50.3Low121 Ų121141.9 Ų141.974%0.74275%0.745SS**  trans-61104.5159.833.50000104.8S228 T232S228-T230 PolarHBondContact O-N 3Å; T230-T232 PolarHBondContact O-N 3.38Å
231V51.3Low48.5Very low109 Ų109139.5 Ų139.566%0.66175%0.748SS**  trans-60.995.7162.8179.50000104.5F229 V233F229-V231 VanDerWaalsContact C-N 3.28Å; F229-V231 HydrophobicContact CD2-CG2 3.71Å; F229-V231 HydrophobicContact CE2-CG2 3.94Å; F229-V231 PolarHBondContact O-N 3.45Å; V231-V233 PolarHBondContact O-N 3.48Å
232T54.3Low47.6Very low120 Ų120137.1 Ų137.174%0.73675%0.748SS**  trans-62.699161.331.80000104.7T230 P234T230-T232 PolarHBondContact O-N 3.38Å; T232-P234 VanDerWaalsContact O-CD 3.28Å; T232-P234 WeakPolarHBondContact O-CD 3.44Å; T232-P234 VanDerWaalsContact O-N 3.08Å
233V53Low47.2Very low120 Ų120140.3 Ų140.373%0.72776%0.755SS**  trans-53.1118.3163.21790000104.7V231 E235V231-V233 PolarHBondContact O-N 3.48Å; V233-E235 PolarHBondContact O-N 3.48Å
234P43.6Very low46.7Very low109 Ų109140.8 Ų140.871%0.70876%0.755SS**  trans-57.3121.317819.9-29000107.4T232 K236T232-P234 VanDerWaalsContact O-CD 3.28Å; T232-P234 WeakPolarHBondContact O-CD 3.44Å; T232-P234 VanDerWaalsContact O-N 3.08Å; P234-K236 PolarHBondContact O-N 3.41Å
235E50.7Low46.3Very low185 Ų185141.1 Ų141.186%0.86477%0.767SS**  trans-54.8106.6169.3-170.1-172.5164.900106.6V233 K237V233-E235 PolarHBondContact O-N 3.48Å; E235-K237 PolarHBondContact O-N 2.73Å
236K37.7Very low45.7Very low191 Ų191145.3 Ų145.383%0.8377%0.773SS**  trans-69.292.3177.1-164.9178.5-175.3178.30106.9P234 K238P234-K236 PolarHBondContact O-N 3.41Å; K236-K238 PolarHBondContact O-N 3.23Å; K236-K238 VanDerWaalsContact O-N 3.14Å
237K41.1Very low45.2Very low188 Ų188143.6 Ų143.682%0.81777%0.774SS**  trans-33.8116.6162-131.5178-176.6178.60108.6E235 P239E235-K237 PolarHBondContact O-N 2.73Å; K237-P239 VanDerWaalsContact O-CD 3.27Å; K237-P239 WeakPolarHBondContact O-CD 3.11Å
238K44.8Very low44.4Very low203 Ų203143 Ų14388%0.88378%0.778SS**PPolyproline II helixtrans-56.3120.8171.4-83.9177.5177.41730108.6K236K236-K238 PolarHBondContact O-N 3.23Å; K236-K238 VanDerWaalsContact O-N 3.14Å
239P39.7Very low44.2Very low108 Ų108146.6 Ų146.670%0.70179%0.789SS**PPolyproline II helixtrans-73154.9165.925.1-22.5000110.7K237K237-P239 VanDerWaalsContact O-CD 3.27Å; K237-P239 WeakPolarHBondContact O-CD 3.11Å
240P41.6Very low43Very low120 Ų120144.2 Ų144.278%0.77979%0.793SS**PPolyproline II helixtrans-72.5159.7-170.230.7-34.5000113
241S40.2Very low41.9Very low106 Ų106143 Ų14374%0.74180%0.795SS**PPolyproline II helixtrans-50.4139.5-175510000115.8
242P41Very low41.5Very low127 Ų127143 Ų14383%0.82580%0.797SS**PPolyproline II helixtrans-78.7133.8164.630.6-30000111.5
243I45.3Very low40.8Very low164 Ų164148.7 Ų148.784%0.84181%0.805SS**PPolyproline II helixtrans-67.9140.2169.2-65.4167.7000109.1
244K37.8Very low39.8Very low194 Ų194153.3 Ų153.384%0.84382%0.815SS**PPolyproline II helixtrans-60.1151.5-172.6-56.2169.7-179176.60114.1
245P35.7Very low39.7Very low124 Ų124155.7 Ų155.781%0.80582%0.823SS**  trans-110.8143.6136.89.39.5000111.7
246K38.6Very low39.1Very low207 Ų207153.5 Ų153.590%0.982%0.822SS**  trans-68.1141.6179.4-70170.5173.9174.70111.6
247V38.1Very low39.3Very low133 Ų133152.1 Ų152.181%0.80682%0.823SS**  trans-137.3134.7150.9-172.40000108.6
248P37.2Very low39.6Very low115 Ų115149.8 Ų149.875%0.74783%0.825SS**  trans-83155.1175.332.8-29.9000113
249L41Very low39.7Very low167 Ų167145.8 Ų145.887%0.87482%0.817SS**  trans-24.2140.9178.8-75.695.2000119.5
250S31.3Very low40.4Very low118 Ų118150.3 Ų150.383%0.82583%0.826SS**  -179.3140.2105.458.10000112.3
251A37Very low40.3Very low94 Ų94154.9 Ų154.978%0.77783%0.829SS**  trans-79.5-172174.800000111.8
252P41.2Very low40.8Very low109 Ų109161.2 Ų161.271%0.70884%0.837SS**  cis-141167.6-3.237.3-16.2000117.7
253R40Very low41Very low240 Ų240163.3 Ų163.391%0.90684%0.84SS**  trans47.9130.3143.7-67.7175.6179.7177.20.4122.1
254K32.1Very low41.1Very low217 Ų217165.1 Ų165.194%0.94384%0.842SS**  -169134.8121.7-104.1167.3-174-179.30113
255N41.1Very low41.4Very low160 Ų160164.7 Ų164.786%0.85684%0.841SS**  trans-74.6144.1172.9-102-15.4000111.3
256T37.6Very low42.4Very low139 Ų139170.7 Ų170.785%0.85385%0.847SS**  trans-146.8124.5150.751.60000111.8
257N42.6Very low42.6Very low161 Ų161170.5 Ų170.586%0.86185%0.847SS**PPolyproline II helixtrans-61.8144.5174.2-73.7-64.1000112.7
258T46.7Very low43.5Very low140 Ų140171.4 Ų171.486%0.85988%0.883SS**PPolyproline II helixtrans-101.3123.6169.144.60000111.2
259V48.8Very low43.9Very low118 Ų118174.2 Ų174.272%0.71589%0.889SS**PPolyproline II helixtrans-77.7138.8178.9175.50000110.3Y261V259-Y261 HydrophobicContact CG1-CD2 4.14Å; V259-Y261 HydrophobicContact CG1-CE2 3.72Å
260K54Low44Very low204 Ų204174.6 Ų174.689%0.88789%0.89SS**  trans-108.5118.6-176.1-148.8177-167.91750109.6
261Y39.1Very low44.7Very low215 Ų215177.7 Ų177.784%0.84389%0.894SS**  trans-99.7137.9172-78.3-88000111.1V259V259-Y261 HydrophobicContact CG1-CD2 4.14Å; V259-Y261 HydrophobicContact CG1-CE2 3.72Å
262R51.6Low45.2Very low239 Ų239182.6 Ų182.690%0.90290%0.901SS**  trans-112.9130.1171.6-97.4-166.7166.7-175.9-2.7109.7
263L44.9Very low45.4Very low171 Ų171187.3 Ų187.390%0.89591%0.913SS**PPolyproline II helixtrans-69.3126.9169.7-84.4155.6000110.1
264K46.4Very low45.8Very low202 Ų202183.7 Ų183.788%0.87891%0.913SS**PPolyproline II helixtrans-103.8122170.1-76.1-168.5173.5-1770109.1
265F44.9Very low46.8Very low186 Ų186181.4 Ų181.482%0.81691%0.911SS**PPolyproline II helixtrans-80.2145.9168.7-85.5-94.1000110.7
266R55.3Low47.2Very low249 Ų249183 Ų18394%0.9492%0.915SS**  trans-128120.4164.7-106.1-177.1160.5159-5.1108.1
267F43.5Very low48Very low204 Ų204186.7 Ų186.790%0.89592%0.921SS**  trans-78135.2164.4-83.5-96.5000108.1
268G58.2Low48.5Very low151 Ų151189 Ų189100%1.55793%0.926SS**  trans-850167.100000111.2

Retrieved 268 of 268 residues in 159 ms (Link to these results)