A0A023IMJ9_CAPHI 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 , UniProt , Accession A0A023IMJ9, Species CAPHI (Capra hircus, Goat), Gene FGF5, Length 270 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
1M55Low73.4Confident233 Ų233124.2 Ų124.2100%1.14865%0.647SS**  0129.70-64.8-49.2168.700108.5
2S73.3Confident73.4Confident80 Ų80118.6 Ų118.656%0.55963%0.627SS**  trans-71.1141-172.8179.90000112.2S4 F5S2-S4 PolarHBondContact O-N 2.73Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S2-F5 WeakPolarHBondContact O-CB 3.23Å; S2-F5 PolarHBondContact O-N 2.95Å
3L70.5Confident73Confident155 Ų155119.5 Ų119.581%0.81263%0.625SS**Hα-helixtrans-53.1-33.3177-95.177.6000112.6F5 L6 L7L3-F5 PolarHBondContact O-N 3.1Å; L3-L6 PolarHBondContact O-N 3.11Å; L3-L7 PolarHBondContact O-N 2.81Å; L3-L7 VanDerWaalsContact O-N 3.11Å
4S76Confident72.7Confident82 Ų82120 Ų12057%0.57363%0.628SS**Hα-helixtrans-59.6-31.7178-460000113S2 L8S2-S4 PolarHBondContact O-N 2.73Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S4-L8 WeakPolarHBondContact O-CG 3.41Å; S4-L8 PolarHBondContact O-N 2.88Å
5F76.9Confident72.3Confident147 Ų147119.6 Ų119.665%0.64563%0.625SS**Hα-helixtrans-75.2-35.3179.5-133.7-87.2000111.8S2 L3 L9S2-F5 WeakPolarHBondContact O-CB 3.23Å; S2-F5 PolarHBondContact O-N 2.95Å; L3-F5 PolarHBondContact O-N 3.1Å; F5-L9 WeakPolarHBondContact O-CG 3.31Å; F5-L9 PolarHBondContact O-N 3.28Å
6L76.8Confident71.5Confident109 Ų109120.4 Ų120.457%0.57163%0.629SS**Hα-helixtrans-66.2-43.1175-14379.6000110.7L3 L8 L9 F10L3-L6 PolarHBondContact O-N 3.11Å; L6-L8 PolarHBondContact O-N 2.65Å; L6-L9 PolarHBondContact O-N 3.06Å; L6-F10 HydrophobicContact CD2-CE2 3.92Å; L6-F10 HydrophobicContact CG-CD2 4.4Å; L6-F10 HydrophobicContact CG-CE2 3.92Å; L6-F10 WeakPolarHBondContact O-CD2 3.01Å; L6-F10 PolarHBondContact O-N 3.46Å; L6-F10 VanDerWaalsContact O-N 3.09Å
7L75.1Confident70.9Confident114 Ų114117.3 Ų117.360%0.59762%0.62SS**Hα-helixtrans-60.5-42.7178.5-15785.1000112.1L3 L9 F10 L11L3-L7 PolarHBondContact O-N 2.81Å; L3-L7 VanDerWaalsContact O-N 3.11Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.79Å; L7-F10 PolarHBondContact O-N 2.87Å; L7-L11 HydrophobicContact CD2-CD1 4.37Å; L7-L11 HydrophobicContact CG-CD1 3.94Å; L7-L11 WeakPolarHBondContact O-CD1 3.27Å; L7-L11 PolarHBondContact O-N 3.01Å
8L76.8Confident70Confident118 Ų118115.1 Ų115.162%0.61862%0.621SS**Hα-helixtrans-64.8-33.7178.3-71.9171000112.9S4 L6 S12S4-L8 WeakPolarHBondContact O-CG 3.41Å; S4-L8 PolarHBondContact O-N 2.88Å; L6-L8 PolarHBondContact O-N 2.65Å; L8-S12 PolarHBondContact O-N 2.69Å; L8-S12 VanDerWaalsContact O-N 3.11Å; L8-S12 PolarHBondContact O-OG 3.45Å
9L76.7Confident69.2Low92 Ų92121.1 Ų121.148%0.48263%0.634SS.*Hα-helixtrans-70.1-36.6173.2-68.3171.5000112.1F5 L6 L7 S12 H13F5-L9 WeakPolarHBondContact O-CG 3.31Å; F5-L9 PolarHBondContact O-N 3.28Å; L6-L9 PolarHBondContact O-N 3.06Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.79Å; L9-S12 PolarHBondContact O-OG 2.84Å; L9-H13 PolarHBondContact O-CD2 2.95Å; L9-H13 PolarHBondContact O-N 2.66Å
10F76.4Confident68.4Low140 Ų140119 Ų11961%0.61464%0.635SS**Hα-helixtrans-68.1-40.1174-77-64.5000112.8L6 L7 L14L6-F10 HydrophobicContact CD2-CE2 3.92Å; L6-F10 HydrophobicContact CG-CD2 4.4Å; L6-F10 HydrophobicContact CG-CE2 3.92Å; L6-F10 WeakPolarHBondContact O-CD2 3.01Å; L6-F10 PolarHBondContact O-N 3.46Å; L6-F10 VanDerWaalsContact O-N 3.09Å; L7-F10 PolarHBondContact O-N 2.87Å; F10-L14 PolarHBondContact O-N 3.01Å
11L74.1Confident67.6Low96 Ų96121.9 Ų121.950%0.50365%0.645SS.*Hα-helixtrans-66.7-36.1175.9-87.885000112.6L7 L14 I15L7-L11 HydrophobicContact CD2-CD1 4.37Å; L7-L11 HydrophobicContact CG-CD1 3.94Å; L7-L11 WeakPolarHBondContact O-CD1 3.27Å; L7-L11 PolarHBondContact O-N 3.01Å; L11-L14 PolarHBondContact O-N 2.9Å; L11-I15 WeakPolarHBondContact O-CG1 3.2Å; L11-I15 PolarHBondContact O-N 3.28Å
12S73.3Confident67.4Low57 Ų57114 Ų11440%0.39962%0.623SS.*Hα-helixtrans-67.4-40.3178.968.40000112.5L8 L9 L14 I15 L16L8-S12 PolarHBondContact O-N 2.69Å; L8-S12 VanDerWaalsContact O-N 3.11Å; L8-S12 PolarHBondContact O-OG 3.45Å; L9-S12 PolarHBondContact O-OG 2.84Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.5Å; S12-I15 PolarHBondContact O-N 3.12Å; S12-L16 PolarHBondContact O-N 2.77Å; S12-L16 VanDerWaalsContact O-N 3.15Å
13H67.8Low66.3Low130 Ų130119.3 Ų119.360%0.60264%0.639SS**Hα-helixtrans-65.1-32.5174.8-86.4-72.6000113.6L9 S17L9-H13 PolarHBondContact O-CD2 2.95Å; L9-H13 PolarHBondContact O-N 2.66Å; H13-S17 PolarHBondContact O-N 3.16Å; H13-S17 PolarHBondContact O-OG 3.24Å
14L69.4Low65.1Low127 Ų127122.2 Ų122.267%0.66565%0.645SS**Hα-helixtrans-70.9-34.4177.2-164.567000112.2F10 L11 S12 S17 A18F10-L14 PolarHBondContact O-N 3.01Å; L11-L14 PolarHBondContact O-N 2.9Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.5Å; L14-S17 PolarHBondContact O-OG 2.88Å; L14-S17 VanDerWaalsContact O-OG 3.12Å; L14-A18 PolarHBondContact O-N 2.78Å
15I66.4Low63.6Low114 Ų114129.8 Ų129.859%0.58566%0.661SS**Hα-helixtrans-72-38.1176.3-64.5164.7000111.1L11 S12 A18L11-I15 WeakPolarHBondContact O-CG1 3.2Å; L11-I15 PolarHBondContact O-N 3.28Å; S12-I15 PolarHBondContact O-N 3.12Å; I15-A18 PolarHBondContact O-N 3.12Å
16L59.4Low61.8Low132 Ų132131.3 Ų131.369%0.69168%0.675SS**Hα-helixtrans-69.7-35.5-179.1-136.172.3000112.9S12S12-L16 PolarHBondContact O-N 2.77Å; S12-L16 VanDerWaalsContact O-N 3.15Å
17S61.2Low60.4Low68 Ų68130 Ų13048%0.47668%0.68SS.*Hα-helixtrans-72.3-31.3177.246.60000113.1H13 L14 W19 A20H13-S17 PolarHBondContact O-N 3.16Å; H13-S17 PolarHBondContact O-OG 3.24Å; L14-S17 PolarHBondContact O-OG 2.88Å; L14-S17 VanDerWaalsContact O-OG 3.12Å; S17-W19 VanDerWaalsContact C-N 3.29Å; S17-W19 PolarHBondContact O-N 2.82Å; S17-A20 PolarHBondContact O-N 3.06Å
18A54.8Low59.4Low78 Ų78131 Ų13165%0.64569%0.693SS**Hα-helixtrans-66.3-24.9176.700000114.3L14 I15L14-A18 PolarHBondContact O-N 2.78Å; I15-A18 PolarHBondContact O-N 3.12Å
19W55.9Low57.7Low229 Ų229135.7 Ų135.787%0.86771%0.709SS**THydrogen-bonded Turntrans-83.5-12.5176.4-98.774.3000114.1S17S17-W19 VanDerWaalsContact C-N 3.29Å; S17-W19 PolarHBondContact O-N 2.82Å
20A51.7Low55.7Low78 Ų78135.3 Ų135.365%0.64573%0.727SS**THydrogen-bonded Turntrans-87.6-0.7-171.200000115.4S17S17-A20 PolarHBondContact O-N 3.06Å
21Q52.5Low54.1Low180 Ų180137.5 Ų137.584%0.84174%0.739SS**THydrogen-bonded Turntrans-116.713.6-174.7-72.4-69.2-19.800114.1
22G51.2Low52.8Low68 Ų68139 Ų13970%0.70175%0.754SS**SBendtrans-92.4-8.9-16700000118.3
23E50Low50.9Low191 Ų191139.4 Ų139.489%0.89377%0.768SS**  trans-142.297.9-173.7-77.9-170.996.700114.1
24K44.8Very low50.4Low216 Ų216139.4 Ų139.494%0.93978%0.779SS**  trans-136.9130.2151.1-70.6-165.7179.2179.10111.3
25R44.8Very low48.8Very low241 Ų241138.4 Ų138.491%0.90979%0.789SS**  trans-62.3164.4-176.4-66168.7157.3-143.1-1.8113.4
26L38.9Very low47.4Very low180 Ų180137.5 Ų137.594%0.94280%0.799SS**  -152.3152.7126.2-106.5166.1000111.3
27A48.2Very low46.5Very low82 Ų82138.2 Ų138.268%0.67881%0.809SS**  trans-139.6157.8176.700000108.8
28P52.5Low45.2Very low134 Ų134143.3 Ų143.387%0.8783%0.825SS**  trans-118143.7164.835.6-24.7000113
29K42.5Very low44.5Very low217 Ų217151.2 Ų151.294%0.94384%0.839SS**  trans-140125.9169.2-175.1-173.3-176.6-172.80107
30G33.2Very low43.7Very low83 Ų83147.2 Ų147.286%0.85683%0.834SS**  trans167.9109.7178.100000114.1
31Q42.9Very low43.7Very low187 Ų187149.2 Ų149.287%0.87484%0.841SS**  trans-129.7148.2163.4-148.9-174.810.800105.4
32P46.8Very low42.8Very low126 Ų126144.2 Ų144.282%0.81884%0.837SS**  -147.4173.89632.9-12.9000114.8
33G34Very low41.9Very low66 Ų66144.9 Ų144.968%0.6884%0.844SS**  trans-91.8-145.6167.700000111.9
34P58Low41.2Very low130 Ų130140.4 Ų140.484%0.84484%0.839SS**  cis-134.1178.8-443.1-27.3000114.5
35A34.3Very low40.9Very low106 Ų106135.9 Ų135.988%0.87684%0.835SS**  trans-176.7154.3146.500000111.1
36A37.1Very low40.4Very low96 Ų96129.2 Ų129.279%0.79383%0.825SS**  trans-126.8152-17800000112
37T42.1Very low40.2Very low147 Ų147131.7 Ų131.790%0.90282%0.822SS**  trans-150.8138.6153.1-34.80000110.9
38E33.5Very low39.5Very low175 Ų175139.2 Ų139.282%0.81883%0.833SS**  trans-72156.6169.2-51.3176.4112.600112.2
39R38.8Very low38.7Very low244 Ų244137.9 Ų137.992%0.92183%0.827SS**  -175.3136.9111.1-101.5175.3-176.5-160.70.6113.1
40N40.6Very low38.4Very low145 Ų145133.4 Ų133.478%0.77582%0.823SS**  trans-82.8157.3162.1-149.1-20.7000108.5
41P50.3Low38.6Very low120 Ų120134.4 Ų134.478%0.77982%0.817SS**  -143.5154.5104.737-23.3000114.6
42G34.6Very low38.2Very low74 Ų74130.5 Ų130.576%0.76381%0.811SS**  trans-86.4163.2171.500000113.6
43G32.2Very low37.6Very low82 Ų82131.2 Ų131.285%0.84581%0.813SS**  trans-175.2120.4172.800000110.5
44A36.2Very low37.6Very low97 Ų97132 Ų13280%0.80281%0.813SS**  trans-86156.8-17600000112.3
45S36.7Very low36.5Very low122 Ų122131.6 Ų131.685%0.85381%0.813SS**  178.4144.7124.5-81.50000114.7
46S35.5Very low36.6Very low100 Ų100131.8 Ų131.870%0.69981%0.808SS**  trans-57.2154.3178.450.80000118.2
47R34.9Very low36.6Very low233 Ų233133.1 Ų133.188%0.87981%0.811SS**  -179.2128.2127.1-89.4146-163.3-136.64108.3
48R33.4Very low36.4Very low239 Ų239131.5 Ų131.590%0.90281%0.806SS**  44.7126.692.4-78.7-175.2166.4-153.7-2.8112.4
49S34.8Very low36.8Very low106 Ų106128.6 Ų128.674%0.74181%0.805SS**  cis-143.6-157.87.9-51.30000108.5
50S36.8Very low37.2Very low123 Ų123122.7 Ų122.786%0.8680%0.798SS**  cis-158.8-177.34.313.20000109.6
51S36.5Very low36.8Very low105 Ų105120.4 Ų120.473%0.73480%0.799SS**  trans-100.2166.9-172.258.20000116.3
52S34.4Very low36.2Very low105 Ų105120.4 Ų120.473%0.73480%0.802SS**  trans66.8108.5138.659.60000122.2
53T35.6Very low36.4Very low141 Ų141122.5 Ų122.587%0.86581%0.805SS**  trans-144.9120.813237.70000106.4
54A32.3Very low36.9Very low83 Ų83124.4 Ų124.469%0.68681%0.806SS**  cis99.3117.643.400000112.5
55S35.4Very low37.2Very low120 Ų120125.7 Ų125.784%0.83981%0.809SS**  trans61.9153.1162.563.20000119.1
56S37.7Very low37.1Very low110 Ų110124.7 Ų124.777%0.76981%0.808SS**  cis-157.8148.6-8.732.60000110.1
57S36.6Very low37.3Very low124 Ų124124.6 Ų124.687%0.86781%0.813SS**  trans-100.2124.8171.1540000111.4
58S37.7Very low37.6Very low114 Ų114119.5 Ų119.580%0.79781%0.813SS**  trans-143.2115.216750.90000111.3
59S41.7Very low37.9Very low113 Ų113120.1 Ų120.179%0.7982%0.816SS**  trans-84.6164.4153-53.50000108.4
60P48Very low37.8Very low121 Ų121119.2 Ų119.279%0.78682%0.823SS**  -150.7164.197.138.5-21.8000117
61A32.2Very low37.7Very low96 Ų96116.9 Ų116.979%0.79382%0.818SS**  trans58124.6139.700000122.3
62S37.6Very low38.5Very low120 Ų120118.7 Ų118.784%0.83983%0.828SS**  trans-63.3148.415849.40000114.1
63S38.2Very low38.3Very low119 Ų119117 Ų11783%0.83283%0.827SS**  trans-118.3131159.952.60000111.2
64S43.4Very low38.3Very low121 Ų121116.5 Ų116.585%0.84683%0.829SS**  trans-103.7130.8174.352.30000109.8
65S41.2Very low38.8Very low124 Ų124116.1 Ų116.187%0.86783%0.833SS**  trans-112136.7179.5-54.30000111.4
66A35.3Very low38.9Very low102 Ų102117.1 Ų117.184%0.84383%0.828SS**  trans-87.9170.6-165.900000114.9
67A40.4Very low39.5Very low98 Ų98120.7 Ų120.781%0.8183%0.833SS**  trans-80157174.800000113.2
68S39.6Very low39.5Very low125 Ų125121.8 Ų121.887%0.87482%0.824SS**  trans-140.2157.4170.1-69.60000110.9
69R39.7Very low39.8Very low253 Ų253119.8 Ų119.896%0.95581%0.81SS**  trans-117.8154.5-161.9-66.9169.3158.8-179.6-7114.3
70G33.1Very low39.5Very low87 Ų87120.2 Ų120.290%0.89781%0.813SS**  trans81.2150.316100000115.5
71G35.7Very low39.4Very low74 Ų74123 Ų12376%0.76381%0.813SS**  cis-157.9-169.14.600000111.7
72P52.8Low39.6Very low143 Ų143126.4 Ų126.493%0.92981%0.813SS**  trans-101161.2-147.838.1-37.4000117.2
73G30Very low39.6Very low69 Ų69130.1 Ų130.171%0.71181%0.809SS**  trans175.6134.4165.200000115.8
74S35.2Very low40.1Very low131 Ų131128 Ų12892%0.91679%0.794SS**  trans53.2133.4167.959.20000120.2
75G44.3Very low40.2Very low75 Ų75128.9 Ų128.977%0.77380%0.797SS**  trans-91.2154.417700000113.5
76L37.5Very low41Very low141 Ų141126.8 Ų126.874%0.73878%0.782SS**  trans-135.4132150.5-136.686.1000107.7Q78L76-Q78 HydrophobicContact CD2-CG 4.25Å; L76-Q78 PolarHBondContact O-N 2.75Å
77E48.7Very low42.8Very low185 Ų185122.9 Ų122.986%0.86475%0.752SS**  trans-71.899.6173.3-145.2-79.4105.400107.2
78Q37.1Very low45.1Very low146 Ų146124.2 Ų124.268%0.68274%0.736SS**  trans-130.7104.1177.3-89.3-176.7-2.800109.4L76 S80L76-Q78 HydrophobicContact CD2-CG 4.25Å; L76-Q78 PolarHBondContact O-N 2.75Å; Q78-S80 PolarHBondContact O-N 3.17Å
79S43.5Very low47.6Very low73 Ų73122.3 Ų122.351%0.5171%0.71SS.*  trans15.3105.4154.557.60000114.5F81S79-F81 WeakPolarHBondContact O-CD2 3.45Å; S79-F81 PolarHBondContact O-N 2.98Å; S79-F81 WeakPolarHBondContact OG-CD2 3.46Å; S79-F81 VanDerWaalsContact OG-CE2 3.22Å; S79-F81 WeakPolarHBondContact OG-CE2 3.27Å
80S36.5Very low50.2Low122 Ų122113.3 Ų113.385%0.85368%0.683SS**  trans-66.371.2176.350.40000112.4Q78 Q82Q78-S80 PolarHBondContact O-N 3.17Å; S80-Q82 PolarHBondContact O-N 2.87Å
81F45.5Very low53.1Low178 Ų178109.5 Ų109.578%0.78164%0.643SS**  trans-61.693.4159-70.5-70000107.3S79 W83S79-F81 WeakPolarHBondContact O-CD2 3.45Å; S79-F81 PolarHBondContact O-N 2.98Å; S79-F81 WeakPolarHBondContact OG-CD2 3.46Å; S79-F81 VanDerWaalsContact OG-CE2 3.22Å; S79-F81 WeakPolarHBondContact OG-CE2 3.27Å; F81-W83 VanDerWaalsContact C-N 3.26Å; F81-W83 PolarHBondContact O-N 3.08Å
82Q36.1Very low55.9Low168 Ų168106.7 Ų106.779%0.78561%0.612SS**  trans-65.285-176.3-170.2174.67.600109.9S80 S84S80-Q82 PolarHBondContact O-N 2.87Å; Q82-S84 PolarHBondContact O-N 2.83Å
83W37.8Very low58Low199 Ų199100 Ų10075%0.75457%0.568SS**  trans-67105.6179.3-173-71.1000108.8F81F81-W83 VanDerWaalsContact C-N 3.26Å; F81-W83 PolarHBondContact O-N 3.08Å
84S48.3Very low61.2Low74 Ų7499.4 Ų99.452%0.51755%0.545SS..  trans-55.1129.1175.9-63.90000110.1Q82 S86 G87Q82-S84 PolarHBondContact O-N 2.83Å; S84-S86 PolarHBondContact O-N 2.71Å; S84-G87 PolarHBondContact O-N 2.7Å; S84-G87 VanDerWaalsContact O-N 3.16Å
85P46.3Very low64.1Low140 Ų14093.1 Ų93.191%0.90950%0.502SS*.THydrogen-bonded Turntrans-61-2.9-161.9-28.936.1000118.3
86S58.2Low66.4Low79 Ų7993.8 Ų93.855%0.55248%0.481SS*.THydrogen-bonded Turntrans-109.1-7.1-177.562.50000114.8S84 R88S84-S86 PolarHBondContact O-N 2.71Å; S86-R88 PolarHBondContact O-N 2.76Å
87G73.6Confident69.1Low21 Ų2187.2 Ų87.222%0.21645%0.446CS..SBendtrans61.110.9-175.100000114.7S84 A127S84-G87 PolarHBondContact O-N 2.7Å; S84-G87 VanDerWaalsContact O-N 3.16Å; G87-A127 PolarHBondContact O-N 2.91Å
88R87.8Confident71.3Confident126 Ų12680.9 Ų80.948%0.47543%0.43SS..EExtended strand (participates in β ladder)trans-114.4130-178.3-69.5167.4-178.3-100.20.7108.7S86 E124 I125 F126S86-R88 PolarHBondContact O-N 2.76Å; R88-E124 WeakPolarHBondContact CD-OE1 3.47Å; R88-E124 IonicContact CZ-OE1 3.68Å; R88-E124 IonicContact NE-OE1 2.76Å; R88-E124 IonicContact NH1-OE1 2.69Å; R88-E124 PolarHBondContact NH1-OE1 3.24Å; R88-E124 IonicContact NH1-OE2 3.95Å; R88-I125 WeakPolarHBondContact CA-O 3.37Å; R88-F126 HydrophobicContact CG-CB 3.84Å
89R92Very high74Confident85 Ų8579.3 Ų79.332%0.32143%0.426SS..EExtended strand (participates in β ladder)trans-126.5116-176.4-55.2175.5-66.1-176.8-1.9108.8I125 E166 F221R89-I125 PolarHBondContact N-O 2.67Å; R89-I125 PolarHBondContact O-N 3.22Å; R89-E166 IonicContact CZ-OE2 3.84Å; R89-E166 IonicContact NH1-OE2 3.16Å; R89-E166 IonicContact NH2-OE1 2.83Å; R89-E166 PolarHBondContact NH2-OE1 2.82Å; R89-E166 IonicContact NH2-OE2 3.93Å; R89-E166 PolarHBondContact NH2-OE2 3.25Å; R89-F221 HydrophobicContact CB-CD1 3.52Å; R89-F221 HydrophobicContact CB-CD2 4.32Å; R89-F221 HydrophobicContact CB-CE1 3.33Å; R89-F221 HydrophobicContact CB-CE2 4.16Å; R89-F221 HydrophobicContact CB-CG 4.02Å; R89-F221 HydrophobicContact CB-CZ 3.68Å; R89-F221 HydrophobicContact CG-CE1 4.39Å; R89-F221 HydrophobicContact CG-CE2 4.46Å; R89-F221 HydrophobicContact CG-CZ 4.27Å
90T94.3Very high76.5Confident63 Ų6375.9 Ų75.939%0.38740%0.401SS..EExtended strand (participates in β ladder)trans-100131.3-178.1-57.60000110.4I122 L123 V138 F221 K222T90-I122 HydrophobicContact CG2-CG2 3.89Å; T90-L123 CarbonylContact C-O 3.53Å; T90-L123 WeakPolarHBondContact CA-O 3.11Å; T90-V138 HydrophobicContact CG2-CG2 4.14Å; T90-F221 WeakPolarHBondContact O-CA 3.19Å; T90-K222 PolarHBondContact O-N 2.71Å
91G94.3Very high79.4Confident7 Ų770.8 Ų70.87%0.07236%0.364CS..EExtended strand (participates in β ladder)trans-177.7-154.3-170.900000114I122 L123 R220G91-I122 CarbonylContact O-C 3.53Å; G91-I122 WeakPolarHBondContact O-CA 3.45Å; G91-L123 PolarHBondContact N-O 2.96Å; G91-L123 PolarHBondContact O-N 3.36Å; G91-R220 CarbonylContact C-O 3.55Å; G91-R220 WeakPolarHBondContact CA-O 3.37Å
92S95.1Very high81.9Confident16 Ų1662.7 Ų62.711%0.11233%0.329CS..EExtended strand (participates in β ladder)trans-126.6151.816862.20000110.4S121 R220S92-S121 WeakPolarHBondContact CA-O 3.35Å; S92-S121 WeakPolarHBondContact CB-O 3.45Å; S92-R220 PolarHBondContact N-O 3.38Å; S92-R220 PolarHBondContact O-N 2.82Å
93L96.3Very high84.8Confident1 Ų154.7 Ų54.71%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-101.8105.3171.9-74.7177.5000109.2H102 L103 L123 I125 I135 Y176 F217 P219L93-H102 WeakPolarHBondContact O-CA 3.32Å; L93-L103 HydrophobicContact CB-CB 4.08Å; L93-L103 HydrophobicContact CD1-CD2 4.06Å; L93-L103 PolarHBondContact O-N 3.11Å; L93-L123 HydrophobicContact CB-CD1 4.05Å; L93-L123 HydrophobicContact CD1-CD1 3.92Å; L93-L123 HydrophobicContact CG-CD1 3.98Å; L93-I125 HydrophobicContact CD1-CD1 4.02Å; L93-I125 HydrophobicContact CD2-CD1 3.62Å; L93-I125 HydrophobicContact CG-CD1 3.91Å; L93-I135 HydrophobicContact CD1-CD1 3.89Å; L93-I135 HydrophobicContact CD1-CG2 4.35Å; L93-Y176 HydrophobicContact CD1-CD2 4.46Å; L93-Y176 HydrophobicContact CD1-CE2 3.9Å; L93-Y176 HydrophobicContact CD2-CE2 3.78Å; L93-Y176 HydrophobicContact CG-CE2 4.5Å; L93-F217 HydrophobicContact CB-CB 4.29Å; L93-F217 HydrophobicContact CB-CD1 4.03Å; L93-F217 HydrophobicContact CD2-CB 4.19Å; L93-P219 HydrophobicContact CD2-CB 4.05Å; L93-P219 HydrophobicContact CD2-CG 4.13Å
94Y96.3Very high87.6Confident57 Ų5745.5 Ų45.522%0.22426%0.256CS..EExtended strand (participates in β ladder)trans-94.1118.2-177.6174.1-105.2000111.8R96 G100 H102 F217 L218Y94-R96 HydrophobicContact CE1-CB 4.34Å; Y94-G100 WeakPolarHBondContact OH-CA 3.24Å; Y94-H102 AromaticContact CD2-CD2 3.83Å; Y94-H102 AromaticContact CD2-NE2 3.55Å; Y94-F217 CarbonylContact O-C 3.5Å; Y94-F217 WeakPolarHBondContact O-CA 3.23Å; Y94-L218 HydrophobicContact CD1-CB 4.38Å; Y94-L218 PolarHBondContact N-O 2.97Å; Y94-L218 PolarHBondContact O-N 2.89Å
95C95.9Very high90Very high0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-98.6122.3175.1-170.40000110.8V97 G100 F101 L194 V213 H216 F217C95-V97 HydrophobicContact CB-CG1 4.33Å; C95-V97 PolarHBondContact O-N 2.85Å; C95-V97 VanDerWaalsContact SG-CG1 3.54Å; C95-G100 CarbonylContact O-C 3.59Å; C95-G100 WeakPolarHBondContact O-CA 3.35Å; C95-F101 PolarHBondContact N-O 3.08Å; C95-F101 PolarHBondContact O-N 2.89Å; C95-L194 HydrophobicContact CB-CD1 4.11Å; C95-V213 PolarHBondContact SG-O 2.85Å; C95-H216 WeakPolarHBondContact CA-O 3.38Å; C95-H216 PolarHBondContact SG-O 3.15Å; C95-F217 HydrophobicContact CB-CD1 3.73Å; C95-F217 HydrophobicContact CB-CE1 3.63Å; C95-F217 HydrophobicContact CB-CG 4.48Å; C95-F217 HydrophobicContact CB-CZ 4.29Å
96R93.6Very high92.4Very high89 Ų8938.6 Ų38.634%0.33620%0.202SC..  trans-72.218.2-179.968.4165.5177-168-0.6115.4Y94 Y173 V213Y94-R96 HydrophobicContact CE1-CB 4.34Å; R96-Y173 HydrophobicContact CB-CE1 4Å; R96-Y173 HydrophobicContact CG-CE1 3.84Å; R96-V213 HydrophobicContact CG-CB 4.42Å
97V94.8Very high94.2Very high3 Ų337.8 Ų37.82%0.01819%0.194CC..SBendtrans-83.5133.6-175.769.70000110.8C95 I99 G100 F101 L194 N195 K196 V213C95-V97 HydrophobicContact CB-CG1 4.33Å; C95-V97 PolarHBondContact O-N 2.85Å; C95-V97 VanDerWaalsContact SG-CG1 3.54Å; V97-I99 PolarHBondContact O-N 2.74Å; V97-G100 PolarHBondContact O-N 3.41Å; V97-G100 VanDerWaalsContact O-N 3.12Å; V97-F101 HydrophobicContact CG1-CD2 3.94Å; V97-F101 HydrophobicContact CG1-CE2 4.43Å; V97-F101 WeakPolarHBondContact O-CD2 3.22Å; V97-F101 WeakPolarHBondContact O-CE2 3.46Å; V97-L194 HydrophobicContact CG1-CB 4.01Å; V97-N195 WeakPolarHBondContact CG1-O 2.91Å; V97-K196 HydrophobicContact CG2-CG 3.99Å; V97-V213 HydrophobicContact CG2-CG2 4.38Å
98G93.8Very high95.2Very high51 Ų5141.7 Ų41.753%0.52621%0.21SC..THydrogen-bonded Turntrans67.2-124.6-177.200000110.9G100G98-G100 VanDerWaalsContact C-N 3.3Å
99I94.6Very high95.6Very high114 Ų11436.7 Ų36.759%0.58520%0.198SC*.THydrogen-bonded Turntrans-82.6-3.7174.760.7173000113.7V97 F101 H115V97-I99 PolarHBondContact O-N 2.74Å; I99-F101 HydrophobicContact CD1-CE1 4.37Å; I99-F101 HydrophobicContact CD1-CZ 4.31Å; I99-F101 HydrophobicContact CG1-CE1 4.12Å; I99-F101 HydrophobicContact CG1-CE2 4.22Å; I99-F101 HydrophobicContact CG1-CZ 3.72Å; I99-H115 HydrophobicContact CD1-CB 3.97Å
100G95.6Very high95.8Very high0 Ų038.3 Ų38.30%021%0.207CC..  trans95.7137.8-170.900000112.5Y94 C95 V97 G98Y94-G100 WeakPolarHBondContact OH-CA 3.24Å; C95-G100 CarbonylContact O-C 3.59Å; C95-G100 WeakPolarHBondContact O-CA 3.35Å; V97-G100 PolarHBondContact O-N 3.41Å; V97-G100 VanDerWaalsContact O-N 3.12Å; G98-G100 VanDerWaalsContact C-N 3.3Å
101F97.6Very high95.9Very high15 Ų1535.7 Ų35.77%0.06619%0.191CC..EExtended strand (participates in β ladder)trans-146.8133.2-178.6-59.7-82.3000112.2C95 V97 I99 S114 L194 G198C95-F101 PolarHBondContact N-O 3.08Å; C95-F101 PolarHBondContact O-N 2.89Å; V97-F101 HydrophobicContact CG1-CD2 3.94Å; V97-F101 HydrophobicContact CG1-CE2 4.43Å; V97-F101 WeakPolarHBondContact O-CD2 3.22Å; V97-F101 WeakPolarHBondContact O-CE2 3.46Å; I99-F101 HydrophobicContact CD1-CE1 4.37Å; I99-F101 HydrophobicContact CD1-CZ 4.31Å; I99-F101 HydrophobicContact CG1-CE1 4.12Å; I99-F101 HydrophobicContact CG1-CE2 4.22Å; I99-F101 HydrophobicContact CG1-CZ 3.72Å; F101-S114 CarbonylContact C-O 3.55Å; F101-S114 WeakPolarHBondContact CA-O 3.41Å; F101-L194 HydrophobicContact CB-CD1 3.84Å; F101-G198 VanDerWaalsContact CD1-CA 3.47Å
102H97Very high96Very high9 Ų937.6 Ų37.64%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-79.8129.5165.4-53.2102.5000110.3L93 Y94 Q104 G113 S114 H115 E116 R220L93-H102 WeakPolarHBondContact O-CA 3.32Å; Y94-H102 AromaticContact CD2-CD2 3.83Å; Y94-H102 AromaticContact CD2-NE2 3.55Å; H102-Q104 PolarHBondContact O-N 2.82Å; H102-G113 CarbonylContact O-C 3.56Å; H102-G113 WeakPolarHBondContact O-CA 3.45Å; H102-S114 PolarHBondContact N-O 2.8Å; H102-S114 PolarHBondContact O-N 3.07Å; H102-S114 VanDerWaalsContact O-N 3.08Å; H102-H115 PolarHBondContact CE1-O 3.08Å; H102-H115 PolarHBondContact ND1-O 3.36Å; H102-H115 VanDerWaalsContact ND1-O 3.08Å; H102-E116 PolarHBondContact ND1-O 3.18Å; H102-R220 PolarHBondContact NE2-NH2 3.29Å
103L97.7Very high96.1Very high0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-62.2132172.1-172.868.7000110.4L93 V111 S121 L123 L144 V192 L194 F217L93-L103 HydrophobicContact CB-CB 4.08Å; L93-L103 HydrophobicContact CD1-CD2 4.06Å; L93-L103 PolarHBondContact O-N 3.11Å; L103-V111 HydrophobicContact CD1-CG1 3.71Å; L103-S121 WeakPolarHBondContact O-CA 3.45Å; L103-S121 WeakPolarHBondContact O-CB 3.35Å; L103-L123 HydrophobicContact CB-CD1 4.16Å; L103-L123 HydrophobicContact CD2-CD1 4.08Å; L103-L123 HydrophobicContact CG-CD1 4.35Å; L103-L144 HydrophobicContact CD2-CD2 4.02Å; L103-V192 HydrophobicContact CD2-CG1 4.48Å; L103-L194 HydrophobicContact CD1-CD1 4.48Å; L103-L194 HydrophobicContact CD1-CD2 3.95Å; L103-L194 HydrophobicContact CD1-CG 4.47Å; L103-F217 HydrophobicContact CB-CE1 4.31Å; L103-F217 HydrophobicContact CD1-CE1 4.47Å
104Q97.1Very high96.1Very high5 Ų539.2 Ų39.22%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-124.6137.3-177.8-73.1178.6-2800111.4H102 Y106 V111 N112 L120H102-Q104 PolarHBondContact O-N 2.82Å; Q104-Y106 HydrophobicContact CB-CD2 4.41Å; Q104-Y106 HydrophobicContact CB-CE2 3.95Å; Q104-Y106 PolarHBondContact OE1-OH 2.76Å; Q104-V111 WeakPolarHBondContact O-CA 3.44Å; Q104-N112 PolarHBondContact N-O 3.35Å; Q104-N112 PolarHBondContact O-N 2.94Å; Q104-L120 WeakPolarHBondContact CA-O 3.31Å; Q104-L120 HydrophobicContact CB-CB 4.25Å; Q104-L120 HydrophobicContact CG-CB 4.17Å
105I97.7Very high96Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-117.5103.5179.5-58.3-175.3000108.5L120 L123 I135 S140 K142 L144 A154I105-L120 PolarHBondContact N-O 2.7Å; I105-L120 VanDerWaalsContact N-O 3.09Å; I105-L123 HydrophobicContact CB-CD2 4.46Å; I105-L123 HydrophobicContact CD1-CD2 3.71Å; I105-L123 HydrophobicContact CG1-CD2 3.83Å; I105-I135 HydrophobicContact CD1-CG2 4.37Å; I105-S140 VanDerWaalsContact O-CB 3.28Å; I105-S140 WeakPolarHBondContact O-CB 3.36Å; I105-S140 PolarHBondContact O-OG 2.87Å; I105-K142 HydrophobicContact CG2-CB 4.2Å; I105-L144 HydrophobicContact CD1-CB 3.92Å; I105-A154 HydrophobicContact CG2-CB 3.42Å; I105-A154 VanDerWaalsContact CG2-CB 3.42Å
106Y97.1Very high95.9Very high70 Ų7048.2 Ų48.228%0.27526%0.257SS..  trans-79148.6-176.5-72.9-105.1000111.9Q104 D108 G109 K110 N112 L120Q104-Y106 HydrophobicContact CB-CD2 4.41Å; Q104-Y106 HydrophobicContact CB-CE2 3.95Å; Q104-Y106 PolarHBondContact OE1-OH 2.76Å; Y106-D108 PolarHBondContact O-N 3.42Å; Y106-G109 PolarHBondContact O-N 2.95Å; Y106-K110 WeakPolarHBondContact CB-O 3.43Å; Y106-K110 HydrophobicContact CD2-CB 4.47Å; Y106-K110 HydrophobicContact CG-CB 4.47Å; Y106-K110 PolarHBondContact N-O 3.47Å; Y106-N112 HydrophobicContact CE2-CB 4.29Å; Y106-L120 HydrophobicContact CD1-CD1 3.7Å; Y106-L120 HydrophobicContact CE1-CD1 3.54Å; Y106-L120 HydrophobicContact CE2-CD1 4.44Å; Y106-L120 HydrophobicContact CG-CD1 4.24Å
107P96.3Very high95.6Very high62 Ų6247.4 Ų47.440%0.40327%0.269SS..THydrogen-bonded Turntrans-59.7-28.6170.726.8-34.7000112.5G109 K142P107-G109 PolarHBondContact O-N 3.09Å; P107-K142 WeakPolarHBondContact O-CE 3.41Å
108D95.4Very high95.5Very high103 Ų10351.1 Ų51.155%0.55129%0.289SS*.THydrogen-bonded Turntrans-60.2-5.4173.4-61.416000115.7Y106 K110Y106-D108 PolarHBondContact O-N 3.42Å; D108-K110 VanDerWaalsContact C-N 3.28Å; D108-K110 HydrophobicContact CB-CD 4.1Å; D108-K110 HydrophobicContact CB-CG 4.13Å; D108-K110 PolarHBondContact O-N 2.81Å; D108-K110 IonicContact OD2-NZ 3.71Å; D108-K110 PolarHBondContact OD2-NZ 2.76Å
109G94.6Very high95.5Very high21 Ų2154 Ų5422%0.21629%0.29CS..SBendtrans83.4-1-170.200000114.4Y106 P107 H153 A154Y106-G109 PolarHBondContact O-N 2.95Å; P107-G109 PolarHBondContact O-N 3.09Å; G109-H153 CarbonylContact O-C 3.5Å; G109-H153 WeakPolarHBondContact O-CA 3.47Å; G109-A154 PolarHBondContact O-N 3.09Å
110K96.2Very high95.5Very high119 Ų11949.7 Ų49.752%0.51727%0.268SS..  trans-83.5147.2178.4-63.3168.4-167.8145.70111.2Y106 D108Y106-K110 WeakPolarHBondContact CB-O 3.43Å; Y106-K110 HydrophobicContact CD2-CB 4.47Å; Y106-K110 HydrophobicContact CG-CB 4.47Å; Y106-K110 PolarHBondContact N-O 3.47Å; D108-K110 VanDerWaalsContact C-N 3.28Å; D108-K110 HydrophobicContact CB-CD 4.1Å; D108-K110 HydrophobicContact CB-CG 4.13Å; D108-K110 PolarHBondContact O-N 2.81Å; D108-K110 IonicContact OD2-NZ 3.71Å; D108-K110 PolarHBondContact OD2-NZ 2.76Å
111V97.5Very high95.6Very high7 Ų749.8 Ų49.84%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-127.8127.1174177.10000108.2L103 Q104 L144 L152 H153 A154 A200L103-V111 HydrophobicContact CD1-CG1 3.71Å; Q104-V111 WeakPolarHBondContact O-CA 3.44Å; V111-L144 HydrophobicContact CB-CD1 4.39Å; V111-L144 HydrophobicContact CG1-CD1 3.78Å; V111-L144 HydrophobicContact CG2-CD1 3.83Å; V111-L152 HydrophobicContact CB-CB 4.26Å; V111-L152 HydrophobicContact CG1-CB 4.31Å; V111-H153 VanDerWaalsContact CG2-C 3.46Å; V111-A154 HydrophobicContact CG2-CB 4.3Å; V111-A200 WeakPolarHBondContact O-CB 3.41Å
112N96.5Very high95.5Very high48 Ų4851.9 Ų51.926%0.25728%0.28SS..EExtended strand (participates in β ladder)trans-146.7-168.1177.3-74.6-49.3000107.8Q104 Y106 G198 K199Q104-N112 PolarHBondContact N-O 3.35Å; Q104-N112 PolarHBondContact O-N 2.94Å; Y106-N112 HydrophobicContact CE2-CB 4.29Å; N112-G198 CarbonylContact C-O 3.5Å; N112-K199 WeakPolarHBondContact OD1-CA 3.38Å
113G96.4Very high95.4Very high11 Ų1151.5 Ų51.511%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-140.3154.8161.700000112.5H102 G198H102-G113 CarbonylContact O-C 3.56Å; H102-G113 WeakPolarHBondContact O-CA 3.45Å; G113-G198 PolarHBondContact N-O 2.58Å
114S96.1Very high95.4Very high39 Ų3952.4 Ų52.427%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-119150.6177.5-175.30000110.1F101 H102 E116F101-S114 CarbonylContact C-O 3.55Å; F101-S114 WeakPolarHBondContact CA-O 3.41Å; H102-S114 PolarHBondContact N-O 2.8Å; H102-S114 PolarHBondContact O-N 3.07Å; H102-S114 VanDerWaalsContact O-N 3.08Å; S114-E116 VanDerWaalsContact C-N 3.35Å; S114-E116 PolarHBondContact OG-N 3.08Å
115H94.8Very high95.3Very high104 Ų10452.2 Ų52.248%0.48128%0.282SS..SBendtrans-62.1-45173.1177.9-109.8000110.9I99 H102I99-H115 HydrophobicContact CD1-CB 3.97Å; H102-H115 PolarHBondContact CE1-O 3.08Å; H102-H115 PolarHBondContact ND1-O 3.36Å; H102-H115 VanDerWaalsContact ND1-O 3.08Å
116E92.6Very high95.2Very high142 Ų14253.5 Ų53.566%0.66429%0.287SS*.SBendtrans-77.6148.3179.2-69.3169.7-164.400112.6H102 S114H102-E116 PolarHBondContact ND1-O 3.18Å; S114-E116 VanDerWaalsContact C-N 3.35Å; S114-E116 PolarHBondContact OG-N 3.08Å
117A89.2Confident95.1Very high73 Ų7352.8 Ų52.860%0.60330%0.296SS*.  trans-78124.617100000109.5
118N91.9Very high95Very high80 Ų8052.6 Ų52.643%0.42829%0.294SS..  trans-132.1162.3-177.8-169.1-39.5000109.4L120 S121N118-L120 PolarHBondContact O-N 3.18Å; N118-L120 VanDerWaalsContact O-N 3.16Å; N118-S121 PolarHBondContact N-OG 2.89Å; N118-S121 WeakPolarHBondContact O-CA 3.38Å; N118-S121 WeakPolarHBondContact O-CB 3.46Å; N118-S121 PolarHBondContact O-N 3.39Å; N118-S121 PolarHBondContact O-OG 3.31Å
119M93.4Very high94.9Very high111 Ų11151 Ų5155%0.54729%0.291SS..G310 helixtrans-50.4-37.6173.1-61.1-172.8-71.900112.6S121 I122 F139M119-S121 PolarHBondContact O-N 2.79Å; M119-I122 PolarHBondContact O-N 2.83Å; M119-I122 VanDerWaalsContact O-N 3.12Å; M119-F139 HydrophobicContact CB-CB 4.42Å; M119-F139 HydrophobicContact CB-CD2 3.95Å; M119-F139 HydrophobicContact CB-CG 4.28Å; M119-F139 HydrophobicContact CE-CE2 4.05Å; M119-F139 HydrophobicContact SD-CD2 4.24Å; M119-F139 HydrophobicContact SD-CE2 4.2Å
120L95.6Very high94.9Very high24 Ų2459.4 Ų59.413%0.12632%0.324CS..G310 helixtrans-64.1-17.1175.2-62.3-179.5000114.7Q104 I105 Y106 N118 F139Q104-L120 WeakPolarHBondContact CA-O 3.31Å; Q104-L120 HydrophobicContact CB-CB 4.25Å; Q104-L120 HydrophobicContact CG-CB 4.17Å; I105-L120 PolarHBondContact N-O 2.7Å; I105-L120 VanDerWaalsContact N-O 3.09Å; Y106-L120 HydrophobicContact CD1-CD1 3.7Å; Y106-L120 HydrophobicContact CE1-CD1 3.54Å; Y106-L120 HydrophobicContact CE2-CD1 4.44Å; Y106-L120 HydrophobicContact CG-CD1 4.24Å; N118-L120 PolarHBondContact O-N 3.18Å; N118-L120 VanDerWaalsContact O-N 3.16Å; L120-F139 HydrophobicContact CD2-CD1 3.48Å; L120-F139 VanDerWaalsContact CD2-CD1 3.48Å; L120-F139 HydrophobicContact CD2-CE1 3.93Å; L120-F139 HydrophobicContact CD2-CG 4.29Å
121S95.9Very high94.7Very high3 Ų355.6 Ų55.62%0.02132%0.319CS..G310 helixtrans-97.42.4176.967.50000114.1S92 L103 N118 M119 L123S92-S121 WeakPolarHBondContact CA-O 3.35Å; S92-S121 WeakPolarHBondContact CB-O 3.45Å; L103-S121 WeakPolarHBondContact O-CA 3.45Å; L103-S121 WeakPolarHBondContact O-CB 3.35Å; N118-S121 PolarHBondContact N-OG 2.89Å; N118-S121 WeakPolarHBondContact O-CA 3.38Å; N118-S121 WeakPolarHBondContact O-CB 3.46Å; N118-S121 PolarHBondContact O-N 3.39Å; N118-S121 PolarHBondContact O-OG 3.31Å; M119-S121 PolarHBondContact O-N 2.79Å; S121-L123 PolarHBondContact O-N 2.75Å
122I95.8Very high94.7Very high59 Ų5956.6 Ų56.630%0.30332%0.324SS..  trans-82.9112.5172-54.3178.3000108.1T90 G91 M119 V138T90-I122 HydrophobicContact CG2-CG2 3.89Å; G91-I122 CarbonylContact O-C 3.53Å; G91-I122 WeakPolarHBondContact O-CA 3.45Å; M119-I122 PolarHBondContact O-N 2.83Å; M119-I122 VanDerWaalsContact O-N 3.12Å; I122-V138 HydrophobicContact CB-CB 4.47Å; I122-V138 HydrophobicContact CG2-CB 4.06Å; I122-V138 HydrophobicContact CG2-CG2 3.92Å; I122-V138 PolarHBondContact O-N 3.28Å
123L96.6Very high94.7Very high1 Ų154.6 Ų54.61%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-119.2135.5-174.4-51.1-178.7000110.1T90 G91 L93 L103 I105 S121 I135 R136T90-L123 CarbonylContact C-O 3.53Å; T90-L123 WeakPolarHBondContact CA-O 3.11Å; G91-L123 PolarHBondContact N-O 2.96Å; G91-L123 PolarHBondContact O-N 3.36Å; L93-L123 HydrophobicContact CB-CD1 4.05Å; L93-L123 HydrophobicContact CD1-CD1 3.92Å; L93-L123 HydrophobicContact CG-CD1 3.98Å; L103-L123 HydrophobicContact CB-CD1 4.16Å; L103-L123 HydrophobicContact CD2-CD1 4.08Å; L103-L123 HydrophobicContact CG-CD1 4.35Å; I105-L123 HydrophobicContact CB-CD2 4.46Å; I105-L123 HydrophobicContact CD1-CD2 3.71Å; I105-L123 HydrophobicContact CG1-CD2 3.83Å; S121-L123 PolarHBondContact O-N 2.75Å; L123-I135 HydrophobicContact CB-CG2 4.25Å; L123-I135 HydrophobicContact CD1-CG2 4.03Å; L123-R136 CarbonylContact C-O 3.48Å; L123-R136 VanDerWaalsContact CA-O 3.28Å; L123-R136 WeakPolarHBondContact CA-O 3.28Å
124E95.9Very high94.8Very high18 Ų1854 Ų548%0.08431%0.308CS..EExtended strand (participates in β ladder)trans-94.6117.1166.8178.4-172.7-165.600108.1R88 R136 V138R88-E124 WeakPolarHBondContact CD-OE1 3.47Å; R88-E124 IonicContact CZ-OE1 3.68Å; R88-E124 IonicContact NE-OE1 2.76Å; R88-E124 IonicContact NH1-OE1 2.69Å; R88-E124 PolarHBondContact NH1-OE1 3.24Å; R88-E124 IonicContact NH1-OE2 3.95Å; E124-R136 HydrophobicContact CB-CB 4.39Å; E124-R136 PolarHBondContact N-O 3.46Å; E124-R136 PolarHBondContact O-N 2.94Å; E124-R136 WeakPolarHBondContact OE2-CD 3.42Å; E124-R136 IonicContact OE2-CZ 3.91Å; E124-R136 IonicContact OE2-NE 2.71Å; E124-R136 IonicContact OE2-NH1 3.68Å; E124-R136 PolarHBondContact OE2-NH1 3.37Å; E124-V138 HydrophobicContact CB-CG2 3.96Å
125I95.6Very high94.9Very high2 Ų252.2 Ų52.21%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-102.6121.7173.6-50-173.7000108R88 R89 L93 V133 G134 I135 F221R88-I125 WeakPolarHBondContact CA-O 3.37Å; R89-I125 PolarHBondContact N-O 2.67Å; R89-I125 PolarHBondContact O-N 3.22Å; L93-I125 HydrophobicContact CD1-CD1 4.02Å; L93-I125 HydrophobicContact CD2-CD1 3.62Å; L93-I125 HydrophobicContact CG-CD1 3.91Å; I125-V133 HydrophobicContact CG2-CB 3.91Å; I125-V133 HydrophobicContact CG2-CG1 4.13Å; I125-V133 HydrophobicContact CG2-CG2 4.18Å; I125-G134 WeakPolarHBondContact CA-O 3.17Å; I125-I135 HydrophobicContact CG1-CG1 4.3Å; I125-I135 HydrophobicContact CG2-CG1 4.31Å; I125-F221 HydrophobicContact CB-CE1 4.45Å; I125-F221 HydrophobicContact CD1-CE1 3.82Å; I125-F221 HydrophobicContact CD1-CZ 4.1Å; I125-F221 HydrophobicContact CG1-CE1 4.22Å
126F95.3Very high95Very high26 Ų2650.7 Ų50.711%0.11429%0.285CS..EExtended strand (participates in β ladder)trans-124.5138.7-178.361.5-88000111R88 V128 V133 G134 R136 F143 F158R88-F126 HydrophobicContact CG-CB 3.84Å; F126-V128 HydrophobicContact CD2-CG2 4.06Å; F126-V128 HydrophobicContact CE2-CG2 3.8Å; F126-V133 CarbonylContact O-C 3.57Å; F126-V133 VanDerWaalsContact O-CA 3.27Å; F126-V133 WeakPolarHBondContact O-CA 3.48Å; F126-G134 WeakPolarHBondContact CD1-O 3.36Å; F126-G134 PolarHBondContact N-O 2.82Å; F126-G134 PolarHBondContact O-N 3.43Å; F126-R136 HydrophobicContact CE1-CB 4.21Å; F126-F143 HydrophobicContact CE1-CD1 4Å; F126-F143 AromaticContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CZ-CD1 4.03Å; F126-F143 AromaticContact CZ-CE1 3.79Å; F126-F143 HydrophobicContact CZ-CE1 3.79Å; F126-F158 HydrophobicContact CE2-CE2 4.08Å; F126-F158 HydrophobicContact CE2-CZ 4.09Å; F126-F158 AromaticContact CZ-CD2 3.96Å; F126-F158 HydrophobicContact CZ-CD2 3.96Å; F126-F158 AromaticContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CZ 4.15Å
127A95.4Very high95.2Very high56 Ų5643.9 Ų43.946%0.46325%0.253SS..EExtended strand (participates in β ladder)trans-68.8133.4172.500000110.4G87G87-A127 PolarHBondContact O-N 2.91Å
128V94.9Very high95.5Very high57 Ų5743.8 Ų43.835%0.34525%0.245SC..EExtended strand (participates in β ladder)trans-102.7-41.4174.8178.60000109.6F126 I132 F158F126-V128 HydrophobicContact CD2-CG2 4.06Å; F126-V128 HydrophobicContact CE2-CG2 3.8Å; V128-I132 HydrophobicContact CB-CB 4.45Å; V128-I132 HydrophobicContact CB-CG2 4.1Å; V128-I132 HydrophobicContact CG1-CG2 4.48Å; V128-I132 PolarHBondContact N-O 2.88Å; V128-F158 HydrophobicContact CG2-CE1 4.42Å; V128-F158 HydrophobicContact CG2-CZ 3.73Å
129S93.6Very high95.7Very high71 Ų7145.5 Ų45.550%0.49725%0.248SC..EExtended strand (participates in β ladder)trans-159-177.9170.764.60000108.9G131 I132S129-G131 PolarHBondContact O-N 2.8Å; S129-G131 VanDerWaalsContact O-N 3.08Å; S129-I132 PolarHBondContact N-O 2.93Å; S129-I132 PolarHBondContact O-N 2.81Å; S129-I132 VanDerWaalsContact O-O 3.05Å; S129-I132 WeakPolarHBondContact OG-CB 3.41Å; S129-I132 VanDerWaalsContact OG-CG1 3.31Å; S129-I132 WeakPolarHBondContact OG-CG1 3.33Å
130Q93.1Very high95.8Very high197 Ų19740.9 Ų40.992%0.92123%0.227SC*.THydrogen-bonded Turntrans-54.5117.5179.5-169-178.519.700111.5I132Q130-I132 PolarHBondContact O-N 2.82Å; Q130-I132 VanDerWaalsContact O-N 3.17Å
131G93.3Very high95.8Very high39 Ų3944 Ų4440%0.40224%0.244SC..THydrogen-bonded Turntrans69.21.5-178.100000115.8S129 R165 E166S129-G131 PolarHBondContact O-N 2.8Å; S129-G131 VanDerWaalsContact O-N 3.08Å; G131-R165 CarbonylContact O-C 3.55Å; G131-R165 VanDerWaalsContact O-CA 3.24Å; G131-R165 WeakPolarHBondContact O-CA 2.86Å; G131-R165 WeakPolarHBondContact O-CG 3.47Å; G131-E166 PolarHBondContact O-N 2.78Å
132I96.8Very high95.9Very high27 Ų2746.2 Ų46.214%0.13825%0.253CS..EExtended strand (participates in β ladder)trans-110.1125.7176.1-51.8-66.1000109.5V128 S129 Q130 K163 F164 R165 A179V128-I132 HydrophobicContact CB-CB 4.45Å; V128-I132 HydrophobicContact CB-CG2 4.1Å; V128-I132 HydrophobicContact CG1-CG2 4.48Å; V128-I132 PolarHBondContact N-O 2.88Å; S129-I132 PolarHBondContact N-O 2.93Å; S129-I132 PolarHBondContact O-N 2.81Å; S129-I132 VanDerWaalsContact O-O 3.05Å; S129-I132 WeakPolarHBondContact OG-CB 3.41Å; S129-I132 VanDerWaalsContact OG-CG1 3.31Å; S129-I132 WeakPolarHBondContact OG-CG1 3.33Å; Q130-I132 PolarHBondContact O-N 2.82Å; Q130-I132 VanDerWaalsContact O-N 3.17Å; I132-K163 HydrophobicContact CG2-CB 3.88Å; I132-K163 HydrophobicContact CG2-CG 4.35Å; I132-F164 CarbonylContact C-O 3.51Å; I132-F164 WeakPolarHBondContact CA-O 3.33Å; I132-R165 HydrophobicContact CD1-CB 3.73Å; I132-R165 HydrophobicContact CD1-CG 3.77Å; I132-A179 HydrophobicContact CD1-CB 4.08Å
133V97.1Very high96Very high6 Ų644.8 Ų44.84%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-120149.2179-59.20000111.9I125 F126 I135 F164 E166 Y176I125-V133 HydrophobicContact CG2-CB 3.91Å; I125-V133 HydrophobicContact CG2-CG1 4.13Å; I125-V133 HydrophobicContact CG2-CG2 4.18Å; F126-V133 CarbonylContact O-C 3.57Å; F126-V133 VanDerWaalsContact O-CA 3.27Å; F126-V133 WeakPolarHBondContact O-CA 3.48Å; V133-I135 HydrophobicContact CG2-CG1 4.39Å; V133-F164 HydrophobicContact CG2-CB 4.34Å; V133-F164 PolarHBondContact N-O 2.85Å; V133-F164 PolarHBondContact O-N 3.43Å; V133-E166 HydrophobicContact CG1-CB 4.06Å; V133-E166 HydrophobicContact CG2-CB 4.09Å; V133-Y176 HydrophobicContact CG2-CD1 3.93Å; V133-Y176 HydrophobicContact CG2-CE1 3.84Å
134G97.3Very high96.1Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-100.1146.1159.500000109.6I125 F126I125-G134 WeakPolarHBondContact CA-O 3.17Å; F126-G134 WeakPolarHBondContact CD1-O 3.36Å; F126-G134 PolarHBondContact N-O 2.82Å; F126-G134 PolarHBondContact O-N 3.43Å
135I97.9Very high96.2Very high1 Ų143.9 Ų43.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-123.5119.5178-60.8164.6000107.5L93 I105 L123 I125 V133 F143 L144 F164 Y176L93-I135 HydrophobicContact CD1-CD1 3.89Å; L93-I135 HydrophobicContact CD1-CG2 4.35Å; I105-I135 HydrophobicContact CD1-CG2 4.37Å; L123-I135 HydrophobicContact CB-CG2 4.25Å; L123-I135 HydrophobicContact CD1-CG2 4.03Å; I125-I135 HydrophobicContact CG1-CG1 4.3Å; I125-I135 HydrophobicContact CG2-CG1 4.31Å; V133-I135 HydrophobicContact CG2-CG1 4.39Å; I135-F143 CarbonylContact O-C 3.59Å; I135-F143 WeakPolarHBondContact O-CA 3.35Å; I135-L144 HydrophobicContact CB-CB 4.07Å; I135-L144 HydrophobicContact CB-CD2 4.37Å; I135-L144 HydrophobicContact CD1-CD2 3.94Å; I135-L144 HydrophobicContact CG2-CB 4.29Å; I135-L144 HydrophobicContact CG2-CD2 4.48Å; I135-L144 PolarHBondContact O-N 2.85Å; I135-F164 HydrophobicContact CD1-CD2 4.31Å; I135-Y176 HydrophobicContact CD1-CD1 4.14Å; I135-Y176 HydrophobicContact CD1-CE1 4.33Å; I135-Y176 HydrophobicContact CD1-CG 4.27Å
136R97.6Very high96.3Very high71 Ų7143.8 Ų43.827%0.26824%0.24SC..EExtended strand (participates in β ladder)trans-117.6131.8-178.3175.9176.6172-136.18.4109.9L123 E124 F126 V138 N141 K142 F143L123-R136 CarbonylContact C-O 3.48Å; L123-R136 VanDerWaalsContact CA-O 3.28Å; L123-R136 WeakPolarHBondContact CA-O 3.28Å; E124-R136 HydrophobicContact CB-CB 4.39Å; E124-R136 PolarHBondContact N-O 3.46Å; E124-R136 PolarHBondContact O-N 2.94Å; E124-R136 WeakPolarHBondContact OE2-CD 3.42Å; E124-R136 IonicContact OE2-CZ 3.91Å; E124-R136 IonicContact OE2-NE 2.71Å; E124-R136 IonicContact OE2-NH1 3.68Å; E124-R136 PolarHBondContact OE2-NH1 3.37Å; F126-R136 HydrophobicContact CE1-CB 4.21Å; R136-V138 PolarHBondContact O-N 3.17Å; R136-N141 VanDerWaalsContact CZ-OD1 3.26Å; R136-N141 PolarHBondContact NE-OD1 2.73Å; R136-N141 PolarHBondContact NH2-OD1 2.92Å; R136-K142 CarbonylContact C-O 3.58Å; R136-K142 WeakPolarHBondContact CA-O 3.32Å; R136-F143 HydrophobicContact CB-CD1 3.87Å; R136-F143 HydrophobicContact CB-CE1 3.96Å; R136-F143 HydrophobicContact CG-CD1 4.27Å; R136-F143 HydrophobicContact CG-CE1 4.08Å
137G97.1Very high96.4Very high0 Ų044.2 Ų44.20%025%0.247CC..EExtended strand (participates in β ladder)trans-72.9120.3168.300000109.1N141 K142G137-N141 WeakPolarHBondContact O-CA 3.28Å; G137-N141 PolarHBondContact O-N 2.93Å; G137-K142 PolarHBondContact N-O 3.03Å
138V95.8Very high96.4Very high70 Ų7049.3 Ų49.342%0.42426%0.258SS..THydrogen-bonded Turntrans-64.6-47.5-176.2176.90000110.2T90 I122 E124 R136T90-V138 HydrophobicContact CG2-CG2 4.14Å; I122-V138 HydrophobicContact CB-CB 4.47Å; I122-V138 HydrophobicContact CG2-CB 4.06Å; I122-V138 HydrophobicContact CG2-CG2 3.92Å; I122-V138 PolarHBondContact O-N 3.28Å; E124-V138 HydrophobicContact CB-CG2 3.96Å; R136-V138 PolarHBondContact O-N 3.17Å
139F95.2Very high96.3Very high116 Ų11654.7 Ų54.751%0.50928%0.277SS..THydrogen-bonded Turntrans-67.4-46.7179.5-178.6-88.6000113.2M119 L120 N141M119-F139 HydrophobicContact CB-CB 4.42Å; M119-F139 HydrophobicContact CB-CD2 3.95Å; M119-F139 HydrophobicContact CB-CG 4.28Å; M119-F139 HydrophobicContact CE-CE2 4.05Å; M119-F139 HydrophobicContact SD-CD2 4.24Å; M119-F139 HydrophobicContact SD-CE2 4.2Å; L120-F139 HydrophobicContact CD2-CD1 3.48Å; L120-F139 VanDerWaalsContact CD2-CD1 3.48Å; L120-F139 HydrophobicContact CD2-CE1 3.93Å; L120-F139 HydrophobicContact CD2-CG 4.29Å; F139-N141 VanDerWaalsContact C-N 3.33Å
140S95.8Very high96.4Very high14 Ų1451.3 Ų51.310%0.09825%0.253CS..THydrogen-bonded Turntrans-81.8-12.1-175.6490000113.8I105 K142I105-S140 VanDerWaalsContact O-CB 3.28Å; I105-S140 WeakPolarHBondContact O-CB 3.36Å; I105-S140 PolarHBondContact O-OG 2.87Å; S140-K142 WeakPolarHBondContact O-CG 3.32Å; S140-K142 PolarHBondContact O-N 2.99Å
141N96.6Very high96.6Very high91 Ų9148.4 Ų48.449%0.48724%0.237SC..THydrogen-bonded Turntrans48.240.2-172.6-165.216.6000112.9R136 G137 F139R136-N141 VanDerWaalsContact CZ-OD1 3.26Å; R136-N141 PolarHBondContact NE-OD1 2.73Å; R136-N141 PolarHBondContact NH2-OD1 2.92Å; G137-N141 WeakPolarHBondContact O-CA 3.28Å; G137-N141 PolarHBondContact O-N 2.93Å; F139-N141 VanDerWaalsContact C-N 3.33Å
142K97.8Very high96.8Very high48 Ų4846.9 Ų46.921%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-125148.3177.9-67.7-169.8-163.6-48.70111.2I105 P107 R136 G137 S140 A154 S155I105-K142 HydrophobicContact CG2-CB 4.2Å; P107-K142 WeakPolarHBondContact O-CE 3.41Å; R136-K142 CarbonylContact C-O 3.58Å; R136-K142 WeakPolarHBondContact CA-O 3.32Å; G137-K142 PolarHBondContact N-O 3.03Å; S140-K142 WeakPolarHBondContact O-CG 3.32Å; S140-K142 PolarHBondContact O-N 2.99Å; K142-A154 HydrophobicContact CB-CB 3.79Å; K142-A154 HydrophobicContact CD-CB 3.96Å; K142-S155 CarbonylContact C-O 3.37Å; K142-S155 VanDerWaalsContact CA-O 3.32Å; K142-S155 WeakPolarHBondContact CA-O 3.41Å; K142-S155 WeakPolarHBondContact CB-O 3.4Å
143F98.1Very high96.8Very high30 Ų3048.2 Ų48.213%0.13223%0.226CC..EExtended strand (participates in β ladder)trans-87.8138.7177.4-55.8-84.1000110.1F126 I135 R136 A145 A154 S155 F158 C162F126-F143 HydrophobicContact CE1-CD1 4Å; F126-F143 AromaticContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CZ-CD1 4.03Å; F126-F143 AromaticContact CZ-CE1 3.79Å; F126-F143 HydrophobicContact CZ-CE1 3.79Å; I135-F143 CarbonylContact O-C 3.59Å; I135-F143 WeakPolarHBondContact O-CA 3.35Å; R136-F143 HydrophobicContact CB-CD1 3.87Å; R136-F143 HydrophobicContact CB-CE1 3.96Å; R136-F143 HydrophobicContact CG-CD1 4.27Å; R136-F143 HydrophobicContact CG-CE1 4.08Å; F143-A145 PolarHBondContact O-N 2.91Å; F143-A154 CarbonylContact O-C 3.56Å; F143-A154 VanDerWaalsContact O-CA 3.28Å; F143-A154 WeakPolarHBondContact O-CA 3.47Å; F143-S155 PolarHBondContact N-O 3.12Å; F143-S155 PolarHBondContact O-N 3.19Å; F143-F158 HydrophobicContact CB-CD2 4.41Å; F143-F158 HydrophobicContact CD1-CB 4.45Å; F143-F158 AromaticContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CE2 4.41Å; F143-F158 HydrophobicContact CD1-CG 4.46Å; F143-F158 HydrophobicContact CD2-CB 4.11Å; F143-F158 HydrophobicContact CE1-CB 4.3Å; F143-F158 AromaticContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CG 4.47Å; F143-F158 HydrophobicContact CE2-CB 3.97Å; F143-F158 HydrophobicContact CG-CB 4.35Å; F143-F158 AromaticContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CZ-CB 4.07Å; F143-C162 HydrophobicContact CB-CB 4.1Å
144L98.4Very high96.8Very high0 Ų048.5 Ų48.50%023%0.228CC..EExtended strand (participates in β ladder)trans-60132.9164.2-177.863.5000108.1L103 I105 V111 I135 L152 C162 F164 V192L103-L144 HydrophobicContact CD2-CD2 4.02Å; I105-L144 HydrophobicContact CD1-CB 3.92Å; V111-L144 HydrophobicContact CB-CD1 4.39Å; V111-L144 HydrophobicContact CG1-CD1 3.78Å; V111-L144 HydrophobicContact CG2-CD1 3.83Å; I135-L144 HydrophobicContact CB-CB 4.07Å; I135-L144 HydrophobicContact CB-CD2 4.37Å; I135-L144 HydrophobicContact CD1-CD2 3.94Å; I135-L144 HydrophobicContact CG2-CB 4.29Å; I135-L144 HydrophobicContact CG2-CD2 4.48Å; I135-L144 PolarHBondContact O-N 2.85Å; L144-L152 HydrophobicContact CD1-CD2 4.38Å; L144-C162 VanDerWaalsContact O-CA 3.31Å; L144-C162 WeakPolarHBondContact O-CA 3.44Å; L144-C162 WeakPolarHBondContact O-CB 3.28Å; L144-F164 HydrophobicContact CB-CE2 3.99Å; L144-F164 HydrophobicContact CB-CZ 4.41Å; L144-F164 HydrophobicContact CD2-CD2 4.5Å; L144-F164 HydrophobicContact CD2-CE2 3.9Å; L144-F164 HydrophobicContact CD2-CZ 4Å; L144-F164 HydrophobicContact CG-CE2 3.79Å; L144-F164 HydrophobicContact CG-CZ 3.77Å; L144-F164 VanDerWaalsContact O-CE2 3.32Å; L144-F164 WeakPolarHBondContact O-CE2 3.38Å; L144-V192 HydrophobicContact CD2-CG1 4.21Å; L144-V192 HydrophobicContact CD2-CG2 4.03Å
145A97.9Very high96.8Very high0 Ų049.5 Ų49.50%024%0.236CC..EExtended strand (participates in β ladder)trans-138.2143.218000000110.7F143 L152 H153 D161F143-A145 PolarHBondContact O-N 2.91Å; A145-L152 WeakPolarHBondContact O-CA 3.25Å; A145-H153 VanDerWaalsContact CB-CE1 3.41Å; A145-H153 WeakPolarHBondContact CB-CE1 3.3Å; A145-H153 PolarHBondContact N-O 3.18Å; A145-H153 PolarHBondContact O-N 2.75Å; A145-H153 PolarHBondContact O-ND1 3.27Å; A145-H153 VanDerWaalsContact O-O 3.12Å; A145-D161 CarbonylContact C-O 3.49Å; A145-D161 WeakPolarHBondContact CA-O 3.43Å; A145-D161 HydrophobicContact CB-CB 4.29Å
146M97.8Very high96.8Very high0 Ų052.7 Ų52.70%026%0.262CS..EExtended strand (participates in β ladder)trans-109.7117.2171-169.2179.1-63.700109.7L152 D161 F164 H181 W190 V192M146-L152 HydrophobicContact CB-CD2 4.16Å; M146-L152 HydrophobicContact CE-CD2 3.74Å; M146-L152 HydrophobicContact CG-CD2 4.28Å; M146-D161 PolarHBondContact N-O 2.88Å; M146-D161 WeakPolarHBondContact O-CB 3.14Å; M146-F164 HydrophobicContact CB-CE1 4.11Å; M146-F164 HydrophobicContact CB-CZ 4.44Å; M146-F164 HydrophobicContact CE-CE1 4.45Å; M146-H181 PolarHBondContact O-CD2 2.98Å; M146-H181 PolarHBondContact O-NE2 2.91Å; M146-H181 VanDerWaalsContact O-NE2 3.08Å; M146-W190 HydrophobicContact CE-CB 4.4Å; M146-W190 HydrophobicContact SD-CB 3.65Å; M146-W190 HydrophobicContact SD-CE3 4Å; M146-V192 HydrophobicContact CE-CG2 4.48Å
147S96.6Very high96.8Very high35 Ų3557.2 Ų57.225%0.24528%0.283CS..  trans-66.8154.8175.2168.30000111.5K149 G150 K151 H153S147-K149 PolarHBondContact O-N 2.83Å; S147-K149 PolarHBondContact OG-N 3.29Å; S147-G150 WeakPolarHBondContact O-CA 3.35Å; S147-G150 PolarHBondContact O-N 3.36Å; S147-K151 PolarHBondContact N-O 3.48Å; S147-H153 PolarHBondContact N-CE1 3Å
148K95Very high96.8Very high162 Ų16260.9 Ų60.970%0.70430%0.3SS*.THydrogen-bonded Turntrans-46-21.2165.3-62.1-176.2-179.1-1730115.3G150 W190K148-G150 VanDerWaalsContact C-N 3.32Å; K148-W190 VanDerWaalsContact O-CH2 3.25Å; K148-W190 WeakPolarHBondContact O-CH2 3.42Å; K148-W190 VanDerWaalsContact O-CZ3 3.3Å; K148-W190 WeakPolarHBondContact O-CZ3 3.33Å
149K94.3Very high96.8Very high170 Ų17060.4 Ų60.474%0.73930%0.297SS*.THydrogen-bonded Turntrans-89.19.1173.1-63.7-175.2179.5-1800113.9S147 K151 C204S147-K149 PolarHBondContact O-N 2.83Å; S147-K149 PolarHBondContact OG-N 3.29Å; K149-K151 PolarHBondContact O-N 3.04Å; K149-C204 PolarHBondContact O-SG 2.8Å; K149-C204 VanDerWaalsContact O-SG 3.4Å
150G94.7Very high96.9Very high0 Ų058.9 Ų58.90%029%0.294CS..SBendtrans70.89.3-17400000114.7S147 K148 W190 R202 G203S147-G150 WeakPolarHBondContact O-CA 3.35Å; S147-G150 PolarHBondContact O-N 3.36Å; K148-G150 VanDerWaalsContact C-N 3.32Å; G150-W190 VanDerWaalsContact N-CZ3 3.33Å; G150-R202 CarbonylContact O-C 3.5Å; G150-R202 WeakPolarHBondContact O-CA 3.45Å; G150-G203 PolarHBondContact O-N 2.83Å
151K96.8Very high97Very high136 Ų13659.9 Ų59.959%0.59130%0.299SS*.  trans-83.4126.8-178.3-176.8-178174.3-171.50110.6S147 K149 H153S147-K151 PolarHBondContact N-O 3.48Å; K149-K151 PolarHBondContact O-N 3.04Å; K151-H153 PolarHBondContact O-ND1 3.46Å
152L97.8Very high97Very high7 Ų755.6 Ų55.64%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-72.2135.6168.7-61.8177.7000110.6V111 L144 A145 M146 V192 A200V111-L152 HydrophobicContact CB-CB 4.26Å; V111-L152 HydrophobicContact CG1-CB 4.31Å; L144-L152 HydrophobicContact CD1-CD2 4.38Å; A145-L152 WeakPolarHBondContact O-CA 3.25Å; M146-L152 HydrophobicContact CB-CD2 4.16Å; M146-L152 HydrophobicContact CE-CD2 3.74Å; M146-L152 HydrophobicContact CG-CD2 4.28Å; L152-V192 HydrophobicContact CD1-CB 4.45Å; L152-V192 HydrophobicContact CD1-CG1 3.79Å; L152-V192 HydrophobicContact CD2-CG1 4.49Å; L152-V192 HydrophobicContact CD2-CG2 4.16Å; L152-A200 HydrophobicContact CB-CB 4.21Å; L152-A200 HydrophobicContact CD1-CB 4.1Å
153H97.5Very high97Very high56 Ų5656.1 Ų56.126%0.25928%0.278SS..EExtended strand (participates in β ladder)trans-152.6170.9178.164.3-64000109.3G109 V111 A145 S147 K151G109-H153 CarbonylContact O-C 3.5Å; G109-H153 WeakPolarHBondContact O-CA 3.47Å; V111-H153 VanDerWaalsContact CG2-C 3.46Å; A145-H153 VanDerWaalsContact CB-CE1 3.41Å; A145-H153 WeakPolarHBondContact CB-CE1 3.3Å; A145-H153 PolarHBondContact N-O 3.18Å; A145-H153 PolarHBondContact O-N 2.75Å; A145-H153 PolarHBondContact O-ND1 3.27Å; A145-H153 VanDerWaalsContact O-O 3.12Å; S147-H153 PolarHBondContact N-CE1 3Å; K151-H153 PolarHBondContact O-ND1 3.46Å
154A97.4Very high97Very high11 Ų1154.7 Ų54.79%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-107.3123.9174.700000110.6I105 G109 V111 K142 F143I105-A154 HydrophobicContact CG2-CB 3.42Å; I105-A154 VanDerWaalsContact CG2-CB 3.42Å; G109-A154 PolarHBondContact O-N 3.09Å; V111-A154 HydrophobicContact CG2-CB 4.3Å; K142-A154 HydrophobicContact CB-CB 3.79Å; K142-A154 HydrophobicContact CD-CB 3.96Å; F143-A154 CarbonylContact O-C 3.56Å; F143-A154 VanDerWaalsContact O-CA 3.28Å; F143-A154 WeakPolarHBondContact O-CA 3.47Å
155S97.7Very high97Very high22 Ų2257.5 Ų57.515%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-98.3140.9177.8-1790000111.1K142 F143 K157K142-S155 CarbonylContact C-O 3.37Å; K142-S155 VanDerWaalsContact CA-O 3.32Å; K142-S155 WeakPolarHBondContact CA-O 3.41Å; K142-S155 WeakPolarHBondContact CB-O 3.4Å; F143-S155 PolarHBondContact N-O 3.12Å; F143-S155 PolarHBondContact O-N 3.19Å; S155-K157 WeakPolarHBondContact CB-O 3.35Å; S155-K157 PolarHBondContact OG-N 3.27Å; S155-K157 PolarHBondContact OG-O 2.94Å
156A96.7Very high96.9Very high67 Ų6759.2 Ų59.255%0.55429%0.29SS*.SBendtrans-77-27.1171.700000112.9
157K96.9Very high96.8Very high166 Ų16664.9 Ų64.972%0.72231%0.311SS*.SBendtrans-106139.9177.9-64.3-174.8179.1-176.50109.7S155 T159S155-K157 WeakPolarHBondContact CB-O 3.35Å; S155-K157 PolarHBondContact OG-N 3.27Å; S155-K157 PolarHBondContact OG-O 2.94Å; K157-T159 HydrophobicContact CB-CG2 4.45Å; K157-T159 PolarHBondContact O-N 2.93Å
158F97.1Very high96.6Very high77 Ų7769.9 Ų69.934%0.33833%0.329SS..  trans-74.4122.6171.7-171.3-109.7000109.5F126 V128 F143 C162 K163F126-F158 HydrophobicContact CE2-CE2 4.08Å; F126-F158 HydrophobicContact CE2-CZ 4.09Å; F126-F158 AromaticContact CZ-CD2 3.96Å; F126-F158 HydrophobicContact CZ-CD2 3.96Å; F126-F158 AromaticContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CZ 4.15Å; V128-F158 HydrophobicContact CG2-CE1 4.42Å; V128-F158 HydrophobicContact CG2-CZ 3.73Å; F143-F158 HydrophobicContact CB-CD2 4.41Å; F143-F158 HydrophobicContact CD1-CB 4.45Å; F143-F158 AromaticContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CE2 4.41Å; F143-F158 HydrophobicContact CD1-CG 4.46Å; F143-F158 HydrophobicContact CD2-CB 4.11Å; F143-F158 HydrophobicContact CE1-CB 4.3Å; F143-F158 AromaticContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CG 4.47Å; F143-F158 HydrophobicContact CE2-CB 3.97Å; F143-F158 HydrophobicContact CG-CB 4.35Å; F143-F158 AromaticContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CZ-CB 4.07Å; F158-C162 HydrophobicContact CD2-CB 3.61Å; F158-C162 HydrophobicContact CE2-CB 3.59Å; F158-K163 HydrophobicContact CE1-CG 4.46Å; F158-K163 HydrophobicContact CZ-CG 3.94Å
159T97.1Very high96.3Very high61 Ų6164 Ų6437%0.37430%0.304SS..  trans-136.5173.6-176.358.60000109.9K157 D161 C162K157-T159 HydrophobicContact CB-CG2 4.45Å; K157-T159 PolarHBondContact O-N 2.93Å; T159-D161 PolarHBondContact O-N 3.46Å; T159-C162 PolarHBondContact N-SG 2.77Å; T159-C162 WeakPolarHBondContact O-CA 3.45Å; T159-C162 WeakPolarHBondContact O-CB 3.42Å; T159-C162 PolarHBondContact O-N 3.34Å; T159-C162 PolarHBondContact OG1-SG 2.83Å; T159-C162 VanDerWaalsContact OG1-SG 3.36Å
160D96.9Very high95.6Very high84 Ų8463.9 Ų63.945%0.44931%0.306SS..G310 helixtrans-63.3-27.5177.5-59.5-57.7000113.5C162 K163 I180D160-C162 PolarHBondContact O-N 2.81Å; D160-C162 VanDerWaalsContact O-N 3.12Å; D160-K163 PolarHBondContact O-N 3.4Å; D160-K163 VanDerWaalsContact O-N 3.12Å; D160-K163 VanDerWaalsContact OD1-CE 3.27Å; D160-K163 WeakPolarHBondContact OD1-CE 3.41Å; D160-K163 IonicContact OD1-NZ 2.65Å; D160-K163 PolarHBondContact OD1-NZ 3.34Å; D160-I180 HydrophobicContact CB-CD1 3.79Å; D160-I180 HydrophobicContact CB-CG2 4.22Å
161D97.3Very high94.9Very high35 Ų3568.1 Ų68.119%0.18733%0.329CS..G310 helixtrans-58.6-20.2169.2-81.212000112.7A145 M146 T159 I180 H181A145-D161 CarbonylContact C-O 3.49Å; A145-D161 WeakPolarHBondContact CA-O 3.43Å; A145-D161 HydrophobicContact CB-CB 4.29Å; M146-D161 PolarHBondContact N-O 2.88Å; M146-D161 WeakPolarHBondContact O-CB 3.14Å; T159-D161 PolarHBondContact O-N 3.46Å; D161-I180 WeakPolarHBondContact OD1-CD1 3.49Å; D161-H181 IonicContact OD1-CD2 3.53Å; D161-H181 IonicContact OD1-CE1 3.35Å; D161-H181 PolarHBondContact OD1-CE1 2.95Å; D161-H181 IonicContact OD1-NE2 3.77Å; D161-H181 PolarHBondContact OD1-NE2 2.9Å
162C97.8Very high94.4Very high0 Ų065 Ų650%033%0.325CS..G310 helixtrans-93.4-2.3-179.3-50.70000113.9F143 L144 F158 T159 D160 F164F143-C162 HydrophobicContact CB-CB 4.1Å; L144-C162 VanDerWaalsContact O-CA 3.31Å; L144-C162 WeakPolarHBondContact O-CA 3.44Å; L144-C162 WeakPolarHBondContact O-CB 3.28Å; F158-C162 HydrophobicContact CD2-CB 3.61Å; F158-C162 HydrophobicContact CE2-CB 3.59Å; T159-C162 PolarHBondContact N-SG 2.77Å; T159-C162 WeakPolarHBondContact O-CA 3.45Å; T159-C162 WeakPolarHBondContact O-CB 3.42Å; T159-C162 PolarHBondContact O-N 3.34Å; T159-C162 PolarHBondContact OG1-SG 2.83Å; T159-C162 VanDerWaalsContact OG1-SG 3.36Å; D160-C162 PolarHBondContact O-N 2.81Å; D160-C162 VanDerWaalsContact O-N 3.12Å; C162-F164 WeakPolarHBondContact O-CD2 3.33Å; C162-F164 WeakPolarHBondContact O-CE2 3.45Å
163K97.8Very high94.2Very high59 Ų5966.4 Ų66.426%0.25733%0.329SS..  trans-90.7120.5-179.7-66.8176.1-178.7170.10109.9I132 F158 D160 A179I132-K163 HydrophobicContact CG2-CB 3.88Å; I132-K163 HydrophobicContact CG2-CG 4.35Å; F158-K163 HydrophobicContact CE1-CG 4.46Å; F158-K163 HydrophobicContact CZ-CG 3.94Å; D160-K163 PolarHBondContact O-N 3.4Å; D160-K163 VanDerWaalsContact O-N 3.12Å; D160-K163 VanDerWaalsContact OD1-CE 3.27Å; D160-K163 WeakPolarHBondContact OD1-CE 3.41Å; D160-K163 IonicContact OD1-NZ 2.65Å; D160-K163 PolarHBondContact OD1-NZ 3.34Å; K163-A179 HydrophobicContact CB-CB 3.85Å; K163-A179 VanDerWaalsContact O-CB 3.32Å; K163-A179 WeakPolarHBondContact O-CB 3.36Å; K163-A179 PolarHBondContact O-N 3.45Å
164F98.2Very high94.2Very high0 Ų064.5 Ų64.50%032%0.321CS..EExtended strand (participates in β ladder)trans-117.8135.4177-58.8-81.7000111I132 V133 I135 L144 M146 C162 E166 Y176 A177 V192I132-F164 CarbonylContact C-O 3.51Å; I132-F164 WeakPolarHBondContact CA-O 3.33Å; V133-F164 HydrophobicContact CG2-CB 4.34Å; V133-F164 PolarHBondContact N-O 2.85Å; V133-F164 PolarHBondContact O-N 3.43Å; I135-F164 HydrophobicContact CD1-CD2 4.31Å; L144-F164 HydrophobicContact CB-CE2 3.99Å; L144-F164 HydrophobicContact CB-CZ 4.41Å; L144-F164 HydrophobicContact CD2-CD2 4.5Å; L144-F164 HydrophobicContact CD2-CE2 3.9Å; L144-F164 HydrophobicContact CD2-CZ 4Å; L144-F164 HydrophobicContact CG-CE2 3.79Å; L144-F164 HydrophobicContact CG-CZ 3.77Å; L144-F164 VanDerWaalsContact O-CE2 3.32Å; L144-F164 WeakPolarHBondContact O-CE2 3.38Å; M146-F164 HydrophobicContact CB-CE1 4.11Å; M146-F164 HydrophobicContact CB-CZ 4.44Å; M146-F164 HydrophobicContact CE-CE1 4.45Å; C162-F164 WeakPolarHBondContact O-CD2 3.33Å; C162-F164 WeakPolarHBondContact O-CE2 3.45Å; F164-E166 PolarHBondContact O-N 3.03Å; F164-Y176 HydrophobicContact CB-CD1 4.44Å; F164-A177 CarbonylContact C-O 3.59Å; F164-A177 WeakPolarHBondContact CA-O 3.12Å; F164-A177 WeakPolarHBondContact CB-O 3.37Å; F164-V192 HydrophobicContact CD1-CG2 3.69Å; F164-V192 HydrophobicContact CE1-CG2 3.61Å; F164-V192 HydrophobicContact CG-CG2 4.44Å; F164-V192 HydrophobicContact CZ-CG2 4.31Å
165R97.4Very high94.1Very high60 Ų6064.1 Ų64.123%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-82113.1170.1-162-175.264.5-142.9-16.8109.3G131 I132 A177 E189G131-R165 CarbonylContact O-C 3.55Å; G131-R165 VanDerWaalsContact O-CA 3.24Å; G131-R165 WeakPolarHBondContact O-CA 2.86Å; G131-R165 WeakPolarHBondContact O-CG 3.47Å; I132-R165 HydrophobicContact CD1-CB 3.73Å; I132-R165 HydrophobicContact CD1-CG 3.77Å; R165-A177 PolarHBondContact N-O 3.01Å; R165-A177 PolarHBondContact O-N 3.29Å; R165-A177 VanDerWaalsContact O-N 3.08Å; R165-E189 IonicContact CZ-OE1 3.91Å; R165-E189 IonicContact CZ-OE2 3.41Å; R165-E189 IonicContact NH1-OE1 2.71Å; R165-E189 PolarHBondContact NH1-OE1 2.78Å; R165-E189 IonicContact NH2-OE1 2.82Å; R165-E189 PolarHBondContact NH2-OE1 3.16Å; R165-E189 IonicContact NH2-OE2 2.75Å; R165-E189 PolarHBondContact NH2-OE2 3.23Å
166E96.1Very high94.1Very high36 Ų3663 Ų6317%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-78.7126.9174-178.4164.2-119.500108.7R89 G131 V133 F164 N174 T175 Y176R89-E166 IonicContact CZ-OE2 3.84Å; R89-E166 IonicContact NH1-OE2 3.16Å; R89-E166 IonicContact NH2-OE1 2.83Å; R89-E166 PolarHBondContact NH2-OE1 2.82Å; R89-E166 IonicContact NH2-OE2 3.93Å; R89-E166 PolarHBondContact NH2-OE2 3.25Å; G131-E166 PolarHBondContact O-N 2.78Å; V133-E166 HydrophobicContact CG1-CB 4.06Å; V133-E166 HydrophobicContact CG2-CB 4.09Å; F164-E166 PolarHBondContact O-N 3.03Å; E166-N174 VanDerWaalsContact CD-ND2 3.32Å; E166-N174 HydrophobicContact CG-CB 4.32Å; E166-N174 PolarHBondContact OE1-ND2 2.87Å; E166-T175 WeakPolarHBondContact CA-O 3.44Å; E166-Y176 HydrophobicContact CB-CD1 4.09Å; E166-Y176 HydrophobicContact CB-CE1 3.81Å; E166-Y176 HydrophobicContact CG-CD1 4.33Å; E166-Y176 HydrophobicContact CG-CE1 3.65Å; E166-Y176 WeakPolarHBondContact OE1-CE1 3.37Å; E166-Y176 VanDerWaalsContact OE1-CZ 3.24Å; E166-Y176 PolarHBondContact OE1-OH 3.33Å
167R94.9Very high94.1Very high118 Ų11859.9 Ų59.945%0.44528%0.284SS..EExtended strand (participates in β ladder)trans-129132.6169-77.9-174.4173.5157-2.2109.8N174 T175 E189R167-N174 CarbonylContact O-C 3.53Å; R167-N174 WeakPolarHBondContact O-CA 3.2Å; R167-T175 PolarHBondContact N-O 3.31Å; R167-T175 PolarHBondContact O-N 3.25Å; R167-T175 PolarHBondContact O-OG1 2.86Å; R167-E189 IonicContact NH1-OE1 2.74Å; R167-E189 IonicContact NH1-OE2 3.93Å
168F92.3Very high94.2Very high141 Ų14152.3 Ų52.362%0.61825%0.252SS*.EExtended strand (participates in β ladder)trans-68.6139.9169.4-169.5-102000110.1N174F168-N174 WeakPolarHBondContact CD2-OD1 3.45Å
169Q89.9Confident94.1Very high37 Ų3750.8 Ų50.817%0.17325%0.254CS..EExtended strand (participates in β ladder)trans-112.8144.7171.7-166.174.238.300108.4N171 S172 Y173Q169-N171 PolarHBondContact O-N 2.72Å; Q169-S172 PolarHBondContact O-N 2.93Å; Q169-Y173 WeakPolarHBondContact CA-O 3.49Å; Q169-Y173 WeakPolarHBondContact CB-O 3.37Å; Q169-Y173 PolarHBondContact N-O 3.25Å
170E78.5Confident94.1Very high169 Ų16951.8 Ų51.879%0.7926%0.256SS*.THydrogen-bonded Turntrans-43.8-27.9-176.8-63.5148.817400115.8S172E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.45Å
171N81.5Confident94Very high88 Ų8848.7 Ų48.747%0.47124%0.239SC..THydrogen-bonded Turntrans-85.717.3-178.7-68.6-62.3000114.8Q169 Y173Q169-N171 PolarHBondContact O-N 2.72Å; N171-Y173 HydrophobicContact CB-CD2 3.89Å; N171-Y173 HydrophobicContact CB-CE2 4.47Å; N171-Y173 WeakPolarHBondContact O-CD2 3.19Å; N171-Y173 PolarHBondContact O-N 2.99Å
172S86.1Confident93.9Very high72 Ų7255 Ų5550%0.50326%0.26SS..THydrogen-bonded Turntrans61.923.6-170.9-55.80000115.1Q169 E170 L218Q169-S172 PolarHBondContact O-N 2.93Å; E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.45Å; S172-L218 VanDerWaalsContact O-CD1 3.3Å; S172-L218 WeakPolarHBondContact O-CD1 3.15Å
173Y94Very high93.7Very high35 Ų3557 Ų5714%0.13727%0.272CS..EExtended strand (participates in β ladder)trans-105.8147171.1-72.8-98.8000109.9R96 Q169 N171 H216 L218R96-Y173 HydrophobicContact CB-CE1 4Å; R96-Y173 HydrophobicContact CG-CE1 3.84Å; Q169-Y173 WeakPolarHBondContact CA-O 3.49Å; Q169-Y173 WeakPolarHBondContact CB-O 3.37Å; Q169-Y173 PolarHBondContact N-O 3.25Å; N171-Y173 HydrophobicContact CB-CD2 3.89Å; N171-Y173 HydrophobicContact CB-CE2 4.47Å; N171-Y173 WeakPolarHBondContact O-CD2 3.19Å; N171-Y173 PolarHBondContact O-N 2.99Å; Y173-H216 HydrophobicContact CD1-CB 3.72Å; Y173-H216 HydrophobicContact CG-CB 3.82Å; Y173-L218 HydrophobicContact CD1-CB 3.85Å; Y173-L218 HydrophobicContact CE1-CB 3.7Å
174N95.8Very high93.3Very high17 Ų1762.9 Ų62.99%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-95.8150170.8-68.70.7000110.6E166 R167 F168 Y176 F217 P219E166-N174 VanDerWaalsContact CD-ND2 3.32Å; E166-N174 HydrophobicContact CG-CB 4.32Å; E166-N174 PolarHBondContact OE1-ND2 2.87Å; R167-N174 CarbonylContact O-C 3.53Å; R167-N174 WeakPolarHBondContact O-CA 3.2Å; F168-N174 WeakPolarHBondContact CD2-OD1 3.45Å; N174-Y176 HydrophobicContact CB-CE2 4.18Å; N174-F217 PolarHBondContact N-O 3.12Å; N174-F217 PolarHBondContact O-N 3.44Å; N174-P219 HydrophobicContact CB-CG 4.32Å
175T96.2Very high92.9Very high2 Ų272.4 Ų72.41%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-113.7143167.761.80000109.4E166 R167E166-T175 WeakPolarHBondContact CA-O 3.44Å; R167-T175 PolarHBondContact N-O 3.31Å; R167-T175 PolarHBondContact O-N 3.25Å; R167-T175 PolarHBondContact O-OG1 2.86Å
176Y97.6Very high92.6Very high0 Ų074.3 Ų74.30%036%0.36CS..EExtended strand (participates in β ladder)trans-119.9102.9-179.8-62.1-72.4000109.2L93 V133 I135 F164 E166 N174 Y191 V192 F217L93-Y176 HydrophobicContact CD1-CD2 4.46Å; L93-Y176 HydrophobicContact CD1-CE2 3.9Å; L93-Y176 HydrophobicContact CD2-CE2 3.78Å; L93-Y176 HydrophobicContact CG-CE2 4.5Å; V133-Y176 HydrophobicContact CG2-CD1 3.93Å; V133-Y176 HydrophobicContact CG2-CE1 3.84Å; I135-Y176 HydrophobicContact CD1-CD1 4.14Å; I135-Y176 HydrophobicContact CD1-CE1 4.33Å; I135-Y176 HydrophobicContact CD1-CG 4.27Å; F164-Y176 HydrophobicContact CB-CD1 4.44Å; E166-Y176 HydrophobicContact CB-CD1 4.09Å; E166-Y176 HydrophobicContact CB-CE1 3.81Å; E166-Y176 HydrophobicContact CG-CD1 4.33Å; E166-Y176 HydrophobicContact CG-CE1 3.65Å; E166-Y176 WeakPolarHBondContact OE1-CE1 3.37Å; E166-Y176 VanDerWaalsContact OE1-CZ 3.24Å; E166-Y176 PolarHBondContact OE1-OH 3.33Å; N174-Y176 HydrophobicContact CB-CE2 4.18Å; Y176-Y191 CarbonylContact O-C 3.43Å; Y176-Y191 WeakPolarHBondContact O-CA 3.13Å; Y176-V192 PolarHBondContact O-N 2.79Å; Y176-F217 HydrophobicContact CD2-CB 4.34Å; Y176-F217 HydrophobicContact CD2-CD2 4.06Å; Y176-F217 HydrophobicContact CD2-CG 4.41Å; Y176-F217 HydrophobicContact CE2-CB 3.95Å; Y176-F217 HydrophobicContact CE2-CG 4.46Å
177A97.5Very high92.4Very high0 Ų074.6 Ų74.60%037%0.373CS..EExtended strand (participates in β ladder)trans-90.2147.9172.500000110.1F164 R165 A179 E189 W190 Y191F164-A177 CarbonylContact C-O 3.59Å; F164-A177 WeakPolarHBondContact CA-O 3.12Å; F164-A177 WeakPolarHBondContact CB-O 3.37Å; R165-A177 PolarHBondContact N-O 3.01Å; R165-A177 PolarHBondContact O-N 3.29Å; R165-A177 VanDerWaalsContact O-N 3.08Å; A177-A179 PolarHBondContact O-N 3.41Å; A177-E189 HydrophobicContact CB-CB 4.37Å; A177-W190 CarbonylContact C-O 3.58Å; A177-W190 WeakPolarHBondContact CA-O 3.29Å; A177-Y191 HydrophobicContact CB-CD1 4.05Å; A177-Y191 HydrophobicContact CB-CE1 3.83Å; A177-Y191 HydrophobicContact CB-CE2 4.48Å; A177-Y191 HydrophobicContact CB-CG 4.49Å
178S97.4Very high92.3Very high7 Ų772.3 Ų72.35%0.04937%0.365CS..EExtended strand (participates in β ladder)trans-62.3135.9166.8-178.60000109.7I180 H181 W190S178-I180 VanDerWaalsContact C-N 3.32Å; S178-H181 WeakPolarHBondContact OG-CB 3.29Å; S178-H181 PolarHBondContact OG-CD2 3.2Å; S178-H181 PolarHBondContact OG-N 2.83Å; S178-H181 VanDerWaalsContact OG-N 3.09Å; S178-W190 PolarHBondContact N-O 3.1Å
179A96.3Very high92.5Very high46 Ų4667.9 Ų67.938%0.3835%0.346SS..EExtended strand (participates in β ladder)trans-69.7-31.3177.900000112.6I132 K163 A177I132-A179 HydrophobicContact CD1-CB 4.08Å; K163-A179 HydrophobicContact CB-CB 3.85Å; K163-A179 VanDerWaalsContact O-CB 3.32Å; K163-A179 WeakPolarHBondContact O-CB 3.36Å; K163-A179 PolarHBondContact O-N 3.45Å; A177-A179 PolarHBondContact O-N 3.41Å
180I95.6Very high92.8Very high82 Ų8267.5 Ų67.542%0.42134%0.343SS..EExtended strand (participates in β ladder)trans-108.4-32.3-175.558.3164.9000113.7D160 D161 S178D160-I180 HydrophobicContact CB-CD1 3.79Å; D160-I180 HydrophobicContact CB-CG2 4.22Å; D161-I180 WeakPolarHBondContact OD1-CD1 3.49Å; S178-I180 VanDerWaalsContact C-N 3.32Å
181H95.2Very high93.7Very high19 Ų1959.9 Ų59.99%0.08831%0.307CS..EExtended strand (participates in β ladder)trans-92.2116.4-173.2-60.2-54.1000112.2M146 D161 S178 W190M146-H181 PolarHBondContact O-CD2 2.98Å; M146-H181 PolarHBondContact O-NE2 2.91Å; M146-H181 VanDerWaalsContact O-NE2 3.08Å; D161-H181 IonicContact OD1-CD2 3.53Å; D161-H181 IonicContact OD1-CE1 3.35Å; D161-H181 PolarHBondContact OD1-CE1 2.95Å; D161-H181 IonicContact OD1-NE2 3.77Å; D161-H181 PolarHBondContact OD1-NE2 2.9Å; S178-H181 WeakPolarHBondContact OG-CB 3.29Å; S178-H181 PolarHBondContact OG-CD2 3.2Å; S178-H181 PolarHBondContact OG-N 2.83Å; S178-H181 VanDerWaalsContact OG-N 3.09Å; H181-W190 HydrophobicContact CB-CD2 4.17Å; H181-W190 HydrophobicContact CB-CE3 3.52Å; H181-W190 HydrophobicContact CB-CZ3 3.82Å
182R94.9Very high94.5Very high168 Ų16855.8 Ų55.863%0.63429%0.285SS*.EExtended strand (participates in β ladder)trans-142.2157.8174.460.5-177178.9-179.3-0.2110.1E184 R188R182-E184 PolarHBondContact O-N 3.36Å; R182-R188 CarbonylContact C-O 3.59Å; R182-R188 WeakPolarHBondContact CA-O 3.29Å
183T93.9Very high95Very high42 Ų4252.3 Ų52.326%0.25826%0.261SS..EExtended strand (participates in β ladder)trans-72.4106.6171.4-57.60000109K185 T186 G187 R188 W190T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 2.95Å; T183-T186 WeakPolarHBondContact CG2-OG1 3.4Å; T183-T186 PolarHBondContact O-N 3.26Å; T183-G187 WeakPolarHBondContact O-CA 3.48Å; T183-G187 PolarHBondContact O-N 2.81Å; T183-R188 PolarHBondContact N-O 3.31Å; T183-R188 PolarHBondContact O-N 3.2Å; T183-W190 PolarHBondContact OG1-NE1 2.75Å
184E89.8Confident95.2Very high181 Ų18150.7 Ų50.785%0.84625%0.254SS*.G310 helixtrans-50.1-50.7-179.1-65.4167.2176.100112.4R182 T186R182-E184 PolarHBondContact O-N 3.36Å; E184-T186 PolarHBondContact O-N 2.82Å; E184-T186 VanDerWaalsContact O-N 3.08Å
185K90.5Very high95.2Very high201 Ų20152.1 Ų52.187%0.87426%0.262SS*.G310 helixtrans-60-21.2-176.9-62.5-169.8176.9-169.50115.6T183T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 2.95Å
186T90.4Very high95.2Very high99 Ų9960.1 Ų60.161%0.60730%0.297SS*.G310 helixtrans-134.35.9-172.859.20000113.7T183 E184 R188T183-T186 WeakPolarHBondContact CG2-OG1 3.4Å; T183-T186 PolarHBondContact O-N 3.26Å; E184-T186 PolarHBondContact O-N 2.82Å; E184-T186 VanDerWaalsContact O-N 3.08Å; T186-R188 PolarHBondContact O-N 2.63Å; T186-R188 WeakPolarHBondContact OG1-CB 3.3Å
187G91.3Very high95.1Very high43 Ų4370.1 Ų70.144%0.44334%0.335SS..THydrogen-bonded Turntrans61.40.8-171.500000115.2T183 E189T183-G187 WeakPolarHBondContact O-CA 3.48Å; T183-G187 PolarHBondContact O-N 2.81Å; G187-E189 PolarHBondContact O-N 2.83Å
188R94Very high94.9Very high70 Ų7070.2 Ų70.226%0.26434%0.336SS..EExtended strand (participates in β ladder)trans-70.2120.9-166.4177.4-179.4171.5162.60.2112.5R182 T183 T186 S205 P206 V208R182-R188 CarbonylContact C-O 3.59Å; R182-R188 WeakPolarHBondContact CA-O 3.29Å; T183-R188 PolarHBondContact N-O 3.31Å; T183-R188 PolarHBondContact O-N 3.2Å; T186-R188 PolarHBondContact O-N 2.63Å; T186-R188 WeakPolarHBondContact OG1-CB 3.3Å; R188-S205 PolarHBondContact NH2-O 3.28Å; R188-P206 PolarHBondContact NH1-O 2.89Å; R188-P206 VanDerWaalsContact NH2-C 3.3Å; R188-P206 PolarHBondContact NH2-O 3.31Å; R188-V208 VanDerWaalsContact NH2-C 3.26Å; R188-V208 PolarHBondContact NH2-O 2.93Å
189E95.4Very high94.9Very high48 Ų4876.1 Ų76.122%0.22436%0.36CS..EExtended strand (participates in β ladder)trans-69.8147.9178.6-56.7168.7152.200112.3R165 R167 A177 G187 Y191R165-E189 IonicContact CZ-OE1 3.91Å; R165-E189 IonicContact CZ-OE2 3.41Å; R165-E189 IonicContact NH1-OE1 2.71Å; R165-E189 PolarHBondContact NH1-OE1 2.78Å; R165-E189 IonicContact NH2-OE1 2.82Å; R165-E189 PolarHBondContact NH2-OE1 3.16Å; R165-E189 IonicContact NH2-OE2 2.75Å; R165-E189 PolarHBondContact NH2-OE2 3.23Å; R167-E189 IonicContact NH1-OE1 2.74Å; R167-E189 IonicContact NH1-OE2 3.93Å; A177-E189 HydrophobicContact CB-CB 4.37Å; G187-E189 PolarHBondContact O-N 2.83Å; E189-Y191 HydrophobicContact CB-CE2 3.73Å; E189-Y191 WeakPolarHBondContact O-CD2 3.4Å; E189-Y191 WeakPolarHBondContact O-CE2 3.14Å; E189-Y191 PolarHBondContact OE2-OH 3Å
190W97.1Very high94.9Very high28 Ų2875.4 Ų75.411%0.10636%0.355CS..EExtended strand (participates in β ladder)trans-104.7128.2-179.5-64.80.8000110.8M146 K148 G150 A177 S178 H181 T183 C204M146-W190 HydrophobicContact CE-CB 4.4Å; M146-W190 HydrophobicContact SD-CB 3.65Å; M146-W190 HydrophobicContact SD-CE3 4Å; K148-W190 VanDerWaalsContact O-CH2 3.25Å; K148-W190 WeakPolarHBondContact O-CH2 3.42Å; K148-W190 VanDerWaalsContact O-CZ3 3.3Å; K148-W190 WeakPolarHBondContact O-CZ3 3.33Å; G150-W190 VanDerWaalsContact N-CZ3 3.33Å; A177-W190 CarbonylContact C-O 3.58Å; A177-W190 WeakPolarHBondContact CA-O 3.29Å; S178-W190 PolarHBondContact N-O 3.1Å; H181-W190 HydrophobicContact CB-CD2 4.17Å; H181-W190 HydrophobicContact CB-CE3 3.52Å; H181-W190 HydrophobicContact CB-CZ3 3.82Å; T183-W190 PolarHBondContact OG1-NE1 2.75Å; W190-C204 HydrophobicContact CD2-CB 3.68Å; W190-C204 VanDerWaalsContact CE2-CB 3.41Å; W190-C204 HydrophobicContact CE3-CB 4.04Å; W190-C204 HydrophobicContact CG-CB 4.28Å; W190-C204 HydrophobicContact CH2-CB 3.97Å; W190-C204 HydrophobicContact CZ2-CB 3.57Å; W190-C204 HydrophobicContact CZ3-CB 4.19Å
191Y97.3Very high95Very high10 Ų1073.4 Ų73.44%0.03934%0.343CS..EExtended strand (participates in β ladder)trans-107.3145.9-172.7-66-103.6000112.2Y176 A177 E189 A193 G203 P210 T215Y176-Y191 CarbonylContact O-C 3.43Å; Y176-Y191 WeakPolarHBondContact O-CA 3.13Å; A177-Y191 HydrophobicContact CB-CD1 4.05Å; A177-Y191 HydrophobicContact CB-CE1 3.83Å; A177-Y191 HydrophobicContact CB-CE2 4.48Å; A177-Y191 HydrophobicContact CB-CG 4.49Å; E189-Y191 HydrophobicContact CB-CE2 3.73Å; E189-Y191 WeakPolarHBondContact O-CD2 3.4Å; E189-Y191 WeakPolarHBondContact O-CE2 3.14Å; E189-Y191 PolarHBondContact OE2-OH 3Å; Y191-A193 PolarHBondContact O-N 3.45Å; Y191-G203 VanDerWaalsContact O-CA 3.29Å; Y191-G203 WeakPolarHBondContact O-CA 3.06Å; Y191-P210 HydrophobicContact CE1-CB 3.81Å; Y191-P210 HydrophobicContact CE2-CB 4.28Å; Y191-P210 HydrophobicContact CE2-CG 4.22Å; Y191-T215 HydrophobicContact CG-CG2 4.24Å
192V97.9Very high95Very high1 Ų180.5 Ų80.51%0.00637%0.369CS..  trans-57.2132.3161.2-178.80000107.3L103 L144 M146 L152 F164 Y176 F217L103-V192 HydrophobicContact CD2-CG1 4.48Å; L144-V192 HydrophobicContact CD2-CG1 4.21Å; L144-V192 HydrophobicContact CD2-CG2 4.03Å; M146-V192 HydrophobicContact CE-CG2 4.48Å; L152-V192 HydrophobicContact CD1-CB 4.45Å; L152-V192 HydrophobicContact CD1-CG1 3.79Å; L152-V192 HydrophobicContact CD2-CG1 4.49Å; L152-V192 HydrophobicContact CD2-CG2 4.16Å; F164-V192 HydrophobicContact CD1-CG2 3.69Å; F164-V192 HydrophobicContact CE1-CG2 3.61Å; F164-V192 HydrophobicContact CG-CG2 4.44Å; F164-V192 HydrophobicContact CZ-CG2 4.31Å; Y176-V192 PolarHBondContact O-N 2.79Å; V192-F217 HydrophobicContact CB-CE2 4.21Å; V192-F217 HydrophobicContact CG1-CE2 3.88Å; V192-F217 HydrophobicContact CG1-CZ 3.8Å; V192-F217 WeakPolarHBondContact O-CE2 3.4Å
193A97.3Very high95Very high0 Ų072.5 Ų72.50%034%0.339CS..  trans-156.5144.4-178.300000113.9Y191 K201 V208 S214 T215Y191-A193 PolarHBondContact O-N 3.45Å; A193-K201 HydrophobicContact CB-CB 4.06Å; A193-K201 HydrophobicContact CB-CD 4.39Å; A193-K201 PolarHBondContact O-N 3.08Å; A193-V208 HydrophobicContact CB-CG1 3.84Å; A193-V208 HydrophobicContact CB-CG2 3.98Å; A193-S214 WeakPolarHBondContact CA-O 3.4Å; A193-S214 WeakPolarHBondContact CB-O 3.45Å; A193-T215 HydrophobicContact CB-CG2 4.2Å
194L97.6Very high95Very high0 Ų072.6 Ų72.60%034%0.34CS..BIsolated β-bridgetrans-108.4153.1170.9-60-176000111.2C95 V97 F101 L103 A200 K201 S214 F217C95-L194 HydrophobicContact CB-CD1 4.11Å; V97-L194 HydrophobicContact CG1-CB 4.01Å; F101-L194 HydrophobicContact CB-CD1 3.84Å; L103-L194 HydrophobicContact CD1-CD1 4.48Å; L103-L194 HydrophobicContact CD1-CD2 3.95Å; L103-L194 HydrophobicContact CD1-CG 4.47Å; L194-A200 HydrophobicContact CD2-CB 4.43Å; L194-K201 WeakPolarHBondContact O-CD 3.44Å; L194-S214 PolarHBondContact N-O 2.77Å; L194-S214 VanDerWaalsContact N-O 3.13Å; L194-S214 WeakPolarHBondContact O-CB 3.33Å; L194-F217 HydrophobicContact CD1-CE1 4.16Å; L194-F217 HydrophobicContact CG-CE1 4.14Å; L194-F217 HydrophobicContact CG-CZ 4.17Å
195N96.4Very high95.2Very high48 Ų4865.5 Ų65.526%0.25731%0.311SS..  trans-89.3171.9171.17317.1000111.5V97 R197 G198 K199 K201V97-N195 WeakPolarHBondContact CG1-O 2.91Å; N195-R197 PolarHBondContact O-N 3.08Å; N195-R197 VanDerWaalsContact OD1-CA 3.23Å; N195-R197 WeakPolarHBondContact OD1-CA 3.21Å; N195-R197 WeakPolarHBondContact OD1-CB 3.49Å; N195-R197 PolarHBondContact OD1-N 2.8Å; N195-G198 PolarHBondContact O-N 3.43Å; N195-G198 PolarHBondContact OD1-N 2.86Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; N195-K199 PolarHBondContact N-O 2.83Å; N195-K199 PolarHBondContact OD1-N 3.48Å; N195-K199 PolarHBondContact OD1-O 3.22Å; N195-K201 HydrophobicContact CB-CD 3.97Å; N195-K201 HydrophobicContact CB-CG 3.84Å
196K95.9Very high95.3Very high169 Ų16960.4 Ų60.474%0.73530%0.298SS*.THydrogen-bonded Turntrans-60.4-7.4176.2-65.4-173.1175.9-1710114.4V97V97-K196 HydrophobicContact CG2-CG 3.99Å
197R95.3Very high95.4Very high211 Ų21165.2 Ų65.280%0.79631%0.305SS*.THydrogen-bonded Turntrans-111.819.6177.9-52.2-178-178.5178.3-0.5112N195 K199N195-R197 PolarHBondContact O-N 3.08Å; N195-R197 VanDerWaalsContact OD1-CA 3.23Å; N195-R197 WeakPolarHBondContact OD1-CA 3.21Å; N195-R197 WeakPolarHBondContact OD1-CB 3.49Å; N195-R197 PolarHBondContact OD1-N 2.8Å; R197-K199 PolarHBondContact O-N 3.13Å
198G94.5Very high95.5Very high2 Ų263.1 Ų63.12%0.02128%0.284CS..SBendtrans72.6-11.4-179.800000116.7F101 N112 G113 N195F101-G198 VanDerWaalsContact CD1-CA 3.47Å; N112-G198 CarbonylContact C-O 3.5Å; G113-G198 PolarHBondContact N-O 2.58Å; N195-G198 PolarHBondContact O-N 3.43Å; N195-G198 PolarHBondContact OD1-N 2.86Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å
199K96.5Very high95.5Very high130 Ų13065.4 Ų65.457%0.56530%0.296SS*.BIsolated β-bridgetrans-76.3143.8-177.9-53.8-170.7178.2-173.10111.8N112 N195 R197 K201N112-K199 WeakPolarHBondContact OD1-CA 3.38Å; N195-K199 PolarHBondContact N-O 2.83Å; N195-K199 PolarHBondContact OD1-N 3.48Å; N195-K199 PolarHBondContact OD1-O 3.22Å; R197-K199 PolarHBondContact O-N 3.13Å; K199-K201 PolarHBondContact O-N 3.48Å
200A96.9Very high95.4Very high32 Ų3264.6 Ų64.626%0.26430%0.295SS..BIsolated β-bridgetrans-59.8134.5175.700000112.5V111 L152 L194V111-A200 WeakPolarHBondContact O-CB 3.41Å; L152-A200 HydrophobicContact CB-CB 4.21Å; L152-A200 HydrophobicContact CD1-CB 4.1Å; L194-A200 HydrophobicContact CD2-CB 4.43Å
201K96.1Very high95.2Very high40 Ų4069.6 Ų69.617%0.17432%0.319CS..PPolyproline II helixtrans-91.8156.5171.8-70.7172.465.8-172.10110.1A193 L194 N195 K199 R207 V208 S214A193-K201 HydrophobicContact CB-CB 4.06Å; A193-K201 HydrophobicContact CB-CD 4.39Å; A193-K201 PolarHBondContact O-N 3.08Å; L194-K201 WeakPolarHBondContact O-CD 3.44Å; N195-K201 HydrophobicContact CB-CD 3.97Å; N195-K201 HydrophobicContact CB-CG 3.84Å; K199-K201 PolarHBondContact O-N 3.48Å; K201-R207 PolarHBondContact NZ-O 3.45Å; K201-V208 HydrophobicContact CB-CG2 4.13Å; K201-V208 HydrophobicContact CD-CG2 4.28Å; K201-S214 PolarHBondContact NZ-OG 2.96Å
202R96.6Very high95Very high168 Ų16873.1 Ų73.163%0.63434%0.336SS*.PPolyproline II helixtrans-72.9126.8167.5-65.1-171.5-69.2-157.3-0.3109.9G150 C204 S205G150-R202 CarbonylContact O-C 3.5Å; G150-R202 WeakPolarHBondContact O-CA 3.45Å; R202-C204 VanDerWaalsContact C-N 3.25Å; R202-C204 PolarHBondContact O-N 2.86Å; R202-S205 WeakPolarHBondContact O-CB 3.33Å; R202-S205 PolarHBondContact O-N 2.96Å
203G94.4Very high94.9Very high0 Ų075.5 Ų75.50%035%0.351CS..THydrogen-bonded Turntrans-62.2-30.6179.400000113.7G150 Y191 S205G150-G203 PolarHBondContact O-N 2.83Å; Y191-G203 VanDerWaalsContact O-CA 3.29Å; Y191-G203 WeakPolarHBondContact O-CA 3.06Å; G203-S205 PolarHBondContact O-N 3.25Å
204C94.5Very high94.8Very high43 Ų4375.6 Ų75.629%0.29135%0.351SS..THydrogen-bonded Turntrans-70.4-6.2173.465.10000114.5K149 W190 R202K149-C204 PolarHBondContact O-SG 2.8Å; K149-C204 VanDerWaalsContact O-SG 3.4Å; W190-C204 HydrophobicContact CD2-CB 3.68Å; W190-C204 VanDerWaalsContact CE2-CB 3.41Å; W190-C204 HydrophobicContact CE3-CB 4.04Å; W190-C204 HydrophobicContact CG-CB 4.28Å; W190-C204 HydrophobicContact CH2-CB 3.97Å; W190-C204 HydrophobicContact CZ2-CB 3.57Å; W190-C204 HydrophobicContact CZ3-CB 4.19Å; R202-C204 VanDerWaalsContact C-N 3.25Å; R202-C204 PolarHBondContact O-N 2.86Å
205S94.3Very high94.7Very high32 Ų3275.6 Ų75.622%0.22435%0.351CS..SBendtrans-68135.9-176.7-179.10000111.5R188 R202 G203 R207 V208R188-S205 PolarHBondContact NH2-O 3.28Å; R202-S205 WeakPolarHBondContact O-CB 3.33Å; R202-S205 PolarHBondContact O-N 2.96Å; G203-S205 PolarHBondContact O-N 3.25Å; S205-R207 PolarHBondContact O-N 2.8Å; S205-V208 WeakPolarHBondContact O-CB 3.37Å; S205-V208 PolarHBondContact O-N 2.77Å
206P91.8Very high94.7Very high94 Ų9473.5 Ų73.561%0.6134%0.34SS*.THydrogen-bonded Turntrans-60.2-21.2178.922.9-33.5000113.3R188 V208R188-P206 PolarHBondContact NH1-O 2.89Å; R188-P206 VanDerWaalsContact NH2-C 3.3Å; R188-P206 PolarHBondContact NH2-O 3.31Å; P206-V208 VanDerWaalsContact C-N 3.31Å; P206-V208 PolarHBondContact O-N 3.05Å
207R91.8Very high94.8Very high200 Ų20065.4 Ų65.476%0.75531%0.305SS*.THydrogen-bonded Turntrans-84.210.3175.7-55-179.1-175.7168.41.2114.4K201 S205K201-R207 PolarHBondContact NZ-O 3.45Å; S205-R207 PolarHBondContact O-N 2.8Å
208V95Very high94.8Very high0 Ų058 Ų580%028%0.28CS..  trans-116.786.1179.1174.30000108.2R188 A193 K201 S205 P206 T215R188-V208 VanDerWaalsContact NH2-C 3.26Å; R188-V208 PolarHBondContact NH2-O 2.93Å; A193-V208 HydrophobicContact CB-CG1 3.84Å; A193-V208 HydrophobicContact CB-CG2 3.98Å; K201-V208 HydrophobicContact CB-CG2 4.13Å; K201-V208 HydrophobicContact CD-CG2 4.28Å; S205-V208 WeakPolarHBondContact O-CB 3.37Å; S205-V208 PolarHBondContact O-N 2.77Å; P206-V208 VanDerWaalsContact C-N 3.31Å; P206-V208 PolarHBondContact O-N 3.05Å; V208-T215 HydrophobicContact CG1-CG2 3.73Å
209K93.6Very high94.7Very high117 Ų11759.1 Ų59.151%0.50929%0.287SS..  trans-109.7151.2179.1-67.5-172.4177.7-174.10109.5Q211 H212 T215K209-Q211 PolarHBondContact O-N 3.07Å; K209-H212 HydrophobicContact CB-CB 4.39Å; K209-H212 WeakPolarHBondContact O-CB 3.39Å; K209-H212 PolarHBondContact O-N 2.94Å; K209-T215 VanDerWaalsContact O-CG2 3.29Å; K209-T215 WeakPolarHBondContact O-CG2 3.16Å; K209-T215 PolarHBondContact O-OG1 3.35Å
210P92.8Very high94.6Very high31 Ų3158.4 Ų58.420%0.20128%0.281CS..THydrogen-bonded Turntrans-57.9-34.5178.518.5-28.3000113.1Y191 H212 T215 H216Y191-P210 HydrophobicContact CE1-CB 3.81Å; Y191-P210 HydrophobicContact CE2-CB 4.28Å; Y191-P210 HydrophobicContact CE2-CG 4.22Å; P210-H212 PolarHBondContact O-N 3.13Å; P210-T215 PolarHBondContact O-OG1 3.48Å; P210-T215 VanDerWaalsContact O-OG1 3.1Å; P210-H216 PolarHBondContact O-CE1 3.25Å; P210-H216 PolarHBondContact O-ND1 3.34Å
211Q92.4Very high94.1Very high134 Ų13460.5 Ų60.563%0.62628%0.284SS*.THydrogen-bonded Turntrans-73-11.1176.9-5483.10.400113.7K209K209-Q211 PolarHBondContact O-N 3.07Å
212H94.2Very high93.3Very high83 Ų8366 Ų6638%0.38431%0.308SS..SBendtrans-91.6129-173.7-174.9-89.1000111K209 P210 S214 T215K209-H212 HydrophobicContact CB-CB 4.39Å; K209-H212 WeakPolarHBondContact O-CB 3.39Å; K209-H212 PolarHBondContact O-N 2.94Å; P210-H212 PolarHBondContact O-N 3.13Å; H212-S214 WeakPolarHBondContact ND1-CB 3.11Å; H212-S214 PolarHBondContact ND1-N 2.86Å; H212-S214 PolarHBondContact ND1-OG 3.12Å; H212-S214 PolarHBondContact O-N 3.03Å; H212-T215 PolarHBondContact O-N 3.36Å; H212-T215 PolarHBondContact O-OG1 3.41Å
213V94.4Very high91.5Very high52 Ų5266.7 Ų66.732%0.31532%0.318SS..G310 helixtrans-51.2-22.8-174.6-59.60000115.7C95 R96 V97 T215 H216C95-V213 PolarHBondContact SG-O 2.85Å; R96-V213 HydrophobicContact CG-CB 4.42Å; V97-V213 HydrophobicContact CG2-CG2 4.38Å; V213-T215 PolarHBondContact O-N 3.25Å; V213-H216 PolarHBondContact O-N 3.2Å
214S95.9Very high89.5Confident1 Ų171.2 Ų71.21%0.00735%0.35CS..G310 helixtrans-62.9-19.7172.464.50000115.1A193 L194 K201 H212A193-S214 WeakPolarHBondContact CA-O 3.4Å; A193-S214 WeakPolarHBondContact CB-O 3.45Å; L194-S214 PolarHBondContact N-O 2.77Å; L194-S214 VanDerWaalsContact N-O 3.13Å; L194-S214 WeakPolarHBondContact O-CB 3.33Å; K201-S214 PolarHBondContact NZ-OG 2.96Å; H212-S214 WeakPolarHBondContact ND1-CB 3.11Å; H212-S214 PolarHBondContact ND1-N 2.86Å; H212-S214 PolarHBondContact ND1-OG 3.12Å; H212-S214 PolarHBondContact O-N 3.03Å
215T96.4Very high87.2Confident0 Ų078 Ų780%038%0.378CS..G310 helixtrans-101-8-178.464.60000113.1Y191 A193 V208 K209 P210 H212 V213 F217Y191-T215 HydrophobicContact CG-CG2 4.24Å; A193-T215 HydrophobicContact CB-CG2 4.2Å; V208-T215 HydrophobicContact CG1-CG2 3.73Å; K209-T215 VanDerWaalsContact O-CG2 3.29Å; K209-T215 WeakPolarHBondContact O-CG2 3.16Å; K209-T215 PolarHBondContact O-OG1 3.35Å; P210-T215 PolarHBondContact O-OG1 3.48Å; P210-T215 VanDerWaalsContact O-OG1 3.1Å; H212-T215 PolarHBondContact O-N 3.36Å; H212-T215 PolarHBondContact O-OG1 3.41Å; V213-T215 PolarHBondContact O-N 3.25Å; T215-F217 VanDerWaalsContact O-CD2 3.29Å; T215-F217 WeakPolarHBondContact O-CD2 3.47Å
216H96Very high84.6Confident4 Ų482.6 Ų82.62%0.01940%0.396CS..EExtended strand (participates in β ladder)trans-86.8120.3-178.9-65.9-10.8000109.5C95 Y173 P210 V213C95-H216 WeakPolarHBondContact CA-O 3.38Å; C95-H216 PolarHBondContact SG-O 3.15Å; Y173-H216 HydrophobicContact CD1-CB 3.72Å; Y173-H216 HydrophobicContact CG-CB 3.82Å; P210-H216 PolarHBondContact O-CE1 3.25Å; P210-H216 PolarHBondContact O-ND1 3.34Å; V213-H216 PolarHBondContact O-N 3.2Å
217F96.9Very high82.6Confident0 Ų083.6 Ų83.60%040%0.402CS..EExtended strand (participates in β ladder)trans-122.7124.5174.4-64.3-94.2000108.9L93 Y94 C95 L103 N174 Y176 V192 L194 T215 P219L93-F217 HydrophobicContact CB-CB 4.29Å; L93-F217 HydrophobicContact CB-CD1 4.03Å; L93-F217 HydrophobicContact CD2-CB 4.19Å; Y94-F217 CarbonylContact O-C 3.5Å; Y94-F217 WeakPolarHBondContact O-CA 3.23Å; C95-F217 HydrophobicContact CB-CD1 3.73Å; C95-F217 HydrophobicContact CB-CE1 3.63Å; C95-F217 HydrophobicContact CB-CG 4.48Å; C95-F217 HydrophobicContact CB-CZ 4.29Å; L103-F217 HydrophobicContact CB-CE1 4.31Å; L103-F217 HydrophobicContact CD1-CE1 4.47Å; N174-F217 PolarHBondContact N-O 3.12Å; N174-F217 PolarHBondContact O-N 3.44Å; Y176-F217 HydrophobicContact CD2-CB 4.34Å; Y176-F217 HydrophobicContact CD2-CD2 4.06Å; Y176-F217 HydrophobicContact CD2-CG 4.41Å; Y176-F217 HydrophobicContact CE2-CB 3.95Å; Y176-F217 HydrophobicContact CE2-CG 4.46Å; V192-F217 HydrophobicContact CB-CE2 4.21Å; V192-F217 HydrophobicContact CG1-CE2 3.88Å; V192-F217 HydrophobicContact CG1-CZ 3.8Å; V192-F217 WeakPolarHBondContact O-CE2 3.4Å; L194-F217 HydrophobicContact CD1-CE1 4.16Å; L194-F217 HydrophobicContact CG-CE1 4.14Å; L194-F217 HydrophobicContact CG-CZ 4.17Å; T215-F217 VanDerWaalsContact O-CD2 3.29Å; T215-F217 WeakPolarHBondContact O-CD2 3.47Å; F217-P219 WeakPolarHBondContact O-CD 3.39Å
218L95.3Very high80.4Confident55 Ų5582.1 Ų82.129%0.28840%0.404SS..EExtended strand (participates in β ladder)trans-84.9116.3170.2177.864.5000107.8Y94 S172 Y173 R220Y94-L218 HydrophobicContact CD1-CB 4.38Å; Y94-L218 PolarHBondContact N-O 2.97Å; Y94-L218 PolarHBondContact O-N 2.89Å; S172-L218 VanDerWaalsContact O-CD1 3.3Å; S172-L218 WeakPolarHBondContact O-CD1 3.15Å; Y173-L218 HydrophobicContact CD1-CB 3.85Å; Y173-L218 HydrophobicContact CE1-CB 3.7Å; L218-R220 HydrophobicContact CD2-CG 4.27Å; L218-R220 HydrophobicContact CG-CG 4.15Å; L218-R220 PolarHBondContact O-N 3.26Å
219P93.8Very high78.5Confident25 Ų2588.1 Ų88.116%0.16244%0.435CS..EExtended strand (participates in β ladder)trans-72.3115.9173.1-13.530.3000109.7L93 N174 F217 F221L93-P219 HydrophobicContact CD2-CB 4.05Å; L93-P219 HydrophobicContact CD2-CG 4.13Å; N174-P219 HydrophobicContact CB-CG 4.32Å; F217-P219 WeakPolarHBondContact O-CD 3.39Å; P219-F221 HydrophobicContact CB-CD2 4.15Å; P219-F221 HydrophobicContact CB-CE1 3.93Å; P219-F221 HydrophobicContact CB-CE2 3.43Å; P219-F221 VanDerWaalsContact CB-CE2 3.43Å; P219-F221 HydrophobicContact CB-CZ 3.3Å; P219-F221 HydrophobicContact CG-CE2 4.38Å; P219-F221 HydrophobicContact CG-CZ 4.26Å
220R92.9Very high76.2Confident116 Ų11687 Ų8744%0.43844%0.442SS..EExtended strand (participates in β ladder)trans-106.282.2175.9-50.9-159.3-56.7163.25.5107.9G91 S92 H102 L218G91-R220 CarbonylContact C-O 3.55Å; G91-R220 WeakPolarHBondContact CA-O 3.37Å; S92-R220 PolarHBondContact N-O 3.38Å; S92-R220 PolarHBondContact O-N 2.82Å; H102-R220 PolarHBondContact NE2-NH2 3.29Å; L218-R220 HydrophobicContact CD2-CG 4.27Å; L218-R220 HydrophobicContact CG-CG 4.15Å; L218-R220 PolarHBondContact O-N 3.26Å
221F87.8Confident74.6Confident75 Ų7593.5 Ų93.533%0.32947%0.468SS..EExtended strand (participates in β ladder)trans-71.7137.8178.8-58.3-56.4000110.5R89 T90 I125 P219R89-F221 HydrophobicContact CB-CD1 3.52Å; R89-F221 HydrophobicContact CB-CD2 4.32Å; R89-F221 HydrophobicContact CB-CE1 3.33Å; R89-F221 HydrophobicContact CB-CE2 4.16Å; R89-F221 HydrophobicContact CB-CG 4.02Å; R89-F221 HydrophobicContact CB-CZ 3.68Å; R89-F221 HydrophobicContact CG-CE1 4.39Å; R89-F221 HydrophobicContact CG-CE2 4.46Å; R89-F221 HydrophobicContact CG-CZ 4.27Å; T90-F221 WeakPolarHBondContact O-CA 3.19Å; I125-F221 HydrophobicContact CB-CE1 4.45Å; I125-F221 HydrophobicContact CD1-CE1 3.82Å; I125-F221 HydrophobicContact CD1-CZ 4.1Å; I125-F221 HydrophobicContact CG1-CE1 4.22Å; P219-F221 HydrophobicContact CB-CD2 4.15Å; P219-F221 HydrophobicContact CB-CE1 3.93Å; P219-F221 HydrophobicContact CB-CE2 3.43Å; P219-F221 VanDerWaalsContact CB-CE2 3.43Å; P219-F221 HydrophobicContact CB-CZ 3.3Å; P219-F221 HydrophobicContact CG-CE2 4.38Å; P219-F221 HydrophobicContact CG-CZ 4.26Å
222K78.7Confident73.1Confident157 Ų15793 Ų9368%0.68347%0.474SS*.  trans-80117.8159.7-67.8-167.9175.8-167.50105.3T90 S224T90-K222 PolarHBondContact O-N 2.71Å; K222-S224 PolarHBondContact O-N 3.11Å
223Q58.9Low71.2Confident181 Ų18194 Ų9485%0.84649%0.486SS*.  trans-59.4109.9161.8-165.8165.64.400104.9E225Q223-E225 PolarHBondContact O-N 2.99Å; Q223-E225 VanDerWaalsContact O-N 3.17Å
224S52.1Low69.4Low96 Ų9697.5 Ų97.567%0.67151%0.507SS*.PPolyproline II helixtrans-57.7123166.249.80000105.2K222 Q226K222-S224 PolarHBondContact O-N 3.11Å; S224-Q226 PolarHBondContact O-N 3.27Å; S224-Q226 VanDerWaalsContact O-N 3.11Å
225E45.7Very low67.4Low185 Ų185103.2 Ų103.286%0.86454%0.541SS*.PPolyproline II helixtrans-46.9126.8160.7-66.1-171.5170.700106Q223Q223-E225 PolarHBondContact O-N 2.99Å; Q223-E225 VanDerWaalsContact O-N 3.17Å
226Q40.8Very low65.2Low128 Ų128108.3 Ų108.360%0.59858%0.575SS**PPolyproline II helixtrans-57.1140171.2-63.5-164.7-6.700105.6S224 E228S224-Q226 PolarHBondContact O-N 3.27Å; S224-Q226 VanDerWaalsContact O-N 3.11Å; Q226-E228 VanDerWaalsContact C-N 3.28Å; Q226-E228 PolarHBondContact O-N 3.43Å
227P49.8Very low63Low116 Ų116116.8 Ų116.875%0.75361%0.614SS**  trans-53.5111.3156.425.2-30.5000104.5L229P227-L229 PolarHBondContact O-N 3.43Å
228E45.6Very low60.2Low168 Ų168126.2 Ų126.279%0.78566%0.655SS**  trans-36.2114.4-179.1-90.2-84135.900107Q226 S230Q226-E228 VanDerWaalsContact C-N 3.28Å; Q226-E228 PolarHBondContact O-N 3.43Å; E228-S230 PolarHBondContact O-N 3.21Å; E228-S230 PolarHBondContact O-OG 3.09Å
229L55.3Low57.8Low127 Ų127132.6 Ų132.667%0.66568%0.681SS**  trans-71.269.3176.2-77178.4000107.3P227 F231P227-L229 PolarHBondContact O-N 3.43Å; L229-F231 WeakPolarHBondContact O-CD1 3.47Å; L229-F231 PolarHBondContact O-N 3.23Å
230S45.2Very low55.3Low92 Ų92140.6 Ų140.664%0.64371%0.713SS**  trans-7269168.743.60000106.6E228 T232E228-S230 PolarHBondContact O-N 3.21Å; E228-S230 PolarHBondContact O-OG 3.09Å; S230-T232 PolarHBondContact O-N 2.97Å
231F58.1Low52.8Low169 Ų169140 Ų14074%0.74172%0.724SS**  trans-6097.7152.557.2-88.8000105.4L229 V233L229-F231 WeakPolarHBondContact O-CD1 3.47Å; L229-F231 PolarHBondContact O-N 3.23Å; F231-V233 VanDerWaalsContact C-N 3.28Å; F231-V233 HydrophobicContact CD2-CG2 3.61Å; F231-V233 HydrophobicContact CE2-CG2 3.74Å; F231-V233 PolarHBondContact O-N 3.25Å
232T61.1Low50.7Low123 Ų123142.4 Ų142.476%0.75575%0.747SS**  trans-60.1102.916229.50000105.6S230 T234S230-T232 PolarHBondContact O-N 2.97Å; T232-T234 PolarHBondContact O-N 3.12Å
233V53.7Low48.9Very low105 Ų105142.3 Ų142.364%0.63675%0.754SS**  trans-61.396.5165.9-179.80000105.2F231 V235F231-V233 VanDerWaalsContact C-N 3.28Å; F231-V233 HydrophobicContact CD2-CG2 3.61Å; F231-V233 HydrophobicContact CE2-CG2 3.74Å; F231-V233 PolarHBondContact O-N 3.25Å; V233-V235 PolarHBondContact O-N 3.11Å
234T56.3Low48.1Very low124 Ų124139.5 Ų139.576%0.76175%0.752SS**  trans-61.992.716130.60000105.7T232 P236T232-T234 PolarHBondContact O-N 3.12Å; T234-P236 VanDerWaalsContact O-CD 3.23Å; T234-P236 WeakPolarHBondContact O-CD 3.44Å
235V55.2Low47.7Very low121 Ų121141.4 Ų141.473%0.73376%0.759SS**  trans-52.4114.3168.2176.70000105.3V233 E237V233-V235 PolarHBondContact O-N 3.11Å; V235-E237 PolarHBondContact O-N 3.18Å; V235-E237 VanDerWaalsContact O-N 3.1Å
236P48.9Very low47.2Very low108 Ų108142 Ų14270%0.70176%0.759SS**  trans-60.6124.2179.324-32000106.9T234 K238T234-P236 VanDerWaalsContact O-CD 3.23Å; T234-P236 WeakPolarHBondContact O-CD 3.44Å; P236-K238 PolarHBondContact O-N 3.5Å
237E50.1Low47Very low182 Ų182141.9 Ų141.985%0.8577%0.769SS**  trans-51.5114.8179.2-170.8-166.1153.800107.9V235 K239V235-E237 PolarHBondContact O-N 3.18Å; V235-E237 VanDerWaalsContact O-N 3.1Å; E237-K239 PolarHBondContact O-N 2.98Å
238K38Very low46.5Very low197 Ų197146.1 Ų146.186%0.85778%0.776SS**  trans-73.184.3-172.9-170176.8-177.5176.70108.9P236 K240P236-K238 PolarHBondContact O-N 3.5Å; K238-K240 PolarHBondContact O-N 3.35Å; K238-K240 VanDerWaalsContact O-N 3.11Å
239K44.7Very low46Very low190 Ų190145 Ų14583%0.82678%0.78SS**  trans-45.7118176.5-157.2177.8-167.2178.10108.7E237E237-K239 PolarHBondContact O-N 2.98Å
240K42Very low45.2Very low193 Ų193144.1 Ų144.184%0.83978%0.782SS**PPolyproline II helixtrans-56.7125.5-174.6-147.6172.9-172.7176.50109K238K238-K240 PolarHBondContact O-N 3.35Å; K238-K240 VanDerWaalsContact O-N 3.11Å
241P41Very low44.8Very low104 Ų104147.4 Ų147.468%0.67579%0.792SS**PPolyproline II helixtrans-64.5152.2178.226-33.2000110.9
242P43.1Very low43.6Very low124 Ų124145.2 Ų145.281%0.80580%0.797SS**PPolyproline II helixtrans-69.8156.1-172.428.7-35.4000113.2
243N41.3Very low42.3Very low155 Ų155143.8 Ų143.883%0.82980%0.797SS**PPolyproline II helixtrans-60.4139.3-178.6-69.3-40.1000112.8
244P42.2Very low41.8Very low122 Ų122144.2 Ų144.279%0.79280%0.803SS**PPolyproline II helixtrans-69.7140.6164.229.7-32.8000111.1
245V44Very low41Very low137 Ų137149.9 Ų149.983%0.8381%0.81SS**PPolyproline II helixtrans-73140.6180175.80000110.9
246K35.8Very low39.9Very low196 Ų196156.3 Ų156.385%0.85282%0.821SS**PPolyproline II helixtrans-76.9141.6177-58.6177.3-179.6179.30112.4
247P35.3Very low39.4Very low126 Ų126156.4 Ų156.482%0.81882%0.824SS**PPolyproline II helixtrans-87.8157.6146.1-15.332.4000112.3
248K39.2Very low39.2Very low205 Ų205152.9 Ų152.989%0.89182%0.817SS**PPolyproline II helixtrans-92.9142.5-175.2-60.5164.4174.4173.10112.5
249V34.8Very low39.2Very low144 Ų144150.6 Ų150.687%0.87382%0.815SS**  trans-148.3142.1147.9-173.60000107.6
250P39.6Very low39.5Very low109 Ų109148.6 Ų148.671%0.70882%0.818SS**  trans-96165-160.836.4-36.8000117.6
251L36.7Very low39.9Very low162 Ų162144.5 Ų144.585%0.84881%0.809SS**  trans18.4125.2159.8-73.883000118.6
252S31.5Very low40.6Very low123 Ų123149.3 Ų149.386%0.8682%0.82SS**  -176.6175.771.741.80000112.4
253A35.6Very low40.7Very low92 Ų92153.6 Ų153.676%0.7682%0.821SS**  trans-93.6-171.5-171.200000112.7
254P42.7Very low41.2Very low115 Ų115157.6 Ų157.675%0.74783%0.825SS**  cis-140170.5-0.241.3-22000118.4
255R40.1Very low41.5Very low243 Ų243159.4 Ų159.492%0.91783%0.827SS**  trans16.6131.8152.6-64.3-178.4176.3-173.2-0.6121
256R31.4Very low41.6Very low256 Ų256162.3 Ų162.397%0.96683%0.828SS**  -159.3133.5126.4-106.1164.9-170.3-171.72.7111
257S38.3Very low42.2Very low110 Ų110161.9 Ų161.977%0.76983%0.827SS**  trans-88.3160.116358.40000109
258P46.4Very low43.1Very low108 Ų108167.5 Ų167.570%0.70183%0.832SS**  -153.9163.485.938.8-19.1000118.2
259N38.4Very low43.5Very low149 Ų149167.3 Ų167.380%0.79783%0.831SS**  trans53.6120.2143.5-60.1-9.1000122.4
260T49.8Very low44.4Very low147 Ų147167.6 Ų167.690%0.90286%0.863SS**  trans-77.1138.4158.833.20000111.9
261V50.6Low44.6Very low108 Ų108170.5 Ų170.566%0.65587%0.871SS**  trans-109.3126.2171.6-174.80000109.6Y263V261-Y263 HydrophobicContact CB-CE2 4.3Å; V261-Y263 HydrophobicContact CG1-CD2 3.96Å; V261-Y263 HydrophobicContact CG1-CE2 3.39Å
262K56.7Low45Very low205 Ų205170.9 Ų170.989%0.89187%0.872SS**  trans-98127.1171.4-87.7179.5173.61740109.7
263Y43.3Very low45.8Very low213 Ų213173.6 Ų173.684%0.83587%0.873SS**  trans-106.8143.9165-72.4-80.9000110.7V261V261-Y263 HydrophobicContact CB-CE2 4.3Å; V261-Y263 HydrophobicContact CG1-CD2 3.96Å; V261-Y263 HydrophobicContact CG1-CE2 3.39Å
264R53.2Low46.4Very low239 Ų239178.4 Ų178.490%0.90288%0.879SS**  trans-125.7118.6179.5-150.4-175.7-169.6-164.71.8108.4K266R264-K266 PolarHBondContact O-N 3.32Å
265L47.5Very low46.6Very low160 Ų160182.4 Ų182.484%0.83889%0.888SS**  trans-66.8129.8174.8-83.1156.5000110
266K45.8Very low47Very low198 Ų198178.3 Ų178.386%0.86189%0.886SS**  trans-113117.2169.5-75.9-175.4173.9-178.20108.2R264R264-K266 PolarHBondContact O-N 3.32Å
267F49.1Very low48.2Very low187 Ų187172.8 Ų172.882%0.8288%0.88SS**  trans-82.9147.4165.4-81.2-92.4000109.9
268R54.1Low48.9Very low245 Ų245177.6 Ų177.693%0.92589%0.888SS**  trans-131.6112.6176.5-160.3174.4-172.7164.10.6106.7
269F47.1Very low49.1Very low200 Ų200183.4 Ų183.488%0.87790%0.904SS**  trans-74.5142.5169.1-78.9-95.6000108.7
270G54.1Low50.1Low150 Ų150186.5 Ų186.5100%1.54691%0.914SS**  trans-102.10164.800000109.9

Retrieved 270 of 270 residues in 160.9 ms (Link to these results)