A0A060XRF1_ONCMY Loading...

Aspartic peptidase DDI1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XRF1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500046, Length 278 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
1M46.2Very low56.2Low248 Ų248121.5 Ų121.5100%1.22265%0.652SS**  0114.10-63.4-129.7-154.100107
2S50Low56.8Low85 Ų85123.2 Ų123.259%0.59464%0.642SS**  trans-78.4134.9-150.634.90000115S4 K5S2-S4 PolarHBondContact O-N 2.77Å; S2-K5 PolarHBondContact O-N 2.87Å
3E51.4Low57.8Low180 Ų180122.2 Ų122.284%0.84164%0.638SS**THydrogen-bonded Turntrans-56.3-18.2178.2-60.9-163.3101.600114K5 K6E3-K5 VanDerWaalsContact C-N 3.29Å; E3-K5 PolarHBondContact O-N 3.4Å; E3-K6 PolarHBondContact O-N 2.89Å
4S56Low58.8Low98 Ų98125.3 Ų125.369%0.68564%0.644SS**Hα-helixtrans-61.9-28.7178.4-410000114S2S2-S4 PolarHBondContact O-N 2.77Å
5K55.7Low59.5Low164 Ų164121.1 Ų121.171%0.71364%0.635SS**Hα-helixtrans-77.3-24.7177.7-85.3178.6172.3177.90113.4S2 E3 L9S2-K5 PolarHBondContact O-N 2.87Å; E3-K5 VanDerWaalsContact C-N 3.29Å; E3-K5 PolarHBondContact O-N 3.4Å; K5-L9 WeakPolarHBondContact O-CD1 3.08Å; K5-L9 WeakPolarHBondContact O-CG 3.49Å; K5-L9 PolarHBondContact O-N 2.68Å
6K55.5Low60.3Low176 Ų176118.3 Ų118.377%0.76562%0.62SS**Hα-helixtrans-79-34.2-178.4-165.2173.6-179-178.90112E3 A10E3-K6 PolarHBondContact O-N 2.89Å; K6-A10 PolarHBondContact O-N 2.65Å
7G56.9Low60.7Low36 Ų36118.5 Ų118.537%0.37162%0.621SS.*Hα-helixtrans-67.2-41.9174.800000113.1A10 I11G7-A10 PolarHBondContact O-N 3.42Å; G7-I11 WeakPolarHBondContact O-CD1 3.4Å; G7-I11 VanDerWaalsContact O-CG1 3.24Å; G7-I11 WeakPolarHBondContact O-CG1 3.17Å; G7-I11 PolarHBondContact O-N 3.43Å
8D58.1Low61.2Low76 Ų76113.3 Ų113.341%0.40660%0.601SS.*Hα-helixtrans-68-37.7-177.9-157.78000112.1I11 R12D8-I11 PolarHBondContact O-N 2.94Å; D8-R12 WeakPolarHBondContact O-CG 3.34Å; D8-R12 PolarHBondContact O-N 2.76Å; D8-R12 IonicContact OD1-CZ 3.59Å; D8-R12 IonicContact OD1-NE 2.94Å; D8-R12 IonicContact OD1-NH2 3.29Å; D8-R12 IonicContact OD2-CZ 3.94Å; D8-R12 IonicContact OD2-NH2 2.78Å; D8-R12 PolarHBondContact OD2-NH2 2.99Å
9L58.8Low61.8Low110 Ų110114.3 Ų114.358%0.57660%0.601SS**Hα-helixtrans-65.2-41.3172.3-72.2166.4000112.3K5 I11 R12 D13K5-L9 WeakPolarHBondContact O-CD1 3.08Å; K5-L9 WeakPolarHBondContact O-CG 3.49Å; K5-L9 PolarHBondContact O-N 2.68Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 2.75Å; L9-R12 PolarHBondContact O-N 2.69Å; L9-D13 WeakPolarHBondContact O-CB 3.32Å; L9-D13 PolarHBondContact O-N 2.74Å
10A63.6Low62.2Low49 Ų49113.4 Ų113.441%0.40559%0.594SS.*Hα-helixtrans-68-32.7178.300000112.8K6 G7 K14K6-A10 PolarHBondContact O-N 2.65Å; G7-A10 PolarHBondContact O-N 3.42Å; A10-K14 WeakPolarHBondContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CG 3.26Å; A10-K14 PolarHBondContact O-N 3.26Å
11I65.8Low62.4Low115 Ų115116.4 Ų116.459%0.5960%0.598SS**Hα-helixtrans-70.2-42.7174.9-66.2160.6000110.2G7 D8 L9 K14 A15G7-I11 WeakPolarHBondContact O-CD1 3.4Å; G7-I11 VanDerWaalsContact O-CG1 3.24Å; G7-I11 WeakPolarHBondContact O-CG1 3.17Å; G7-I11 PolarHBondContact O-N 3.43Å; D8-I11 PolarHBondContact O-N 2.94Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 2.75Å; I11-K14 PolarHBondContact O-N 3.38Å; I11-A15 WeakPolarHBondContact O-CB 3.47Å; I11-A15 PolarHBondContact O-N 3.34Å
12R63.5Low63.2Low141 Ų141113.4 Ų113.453%0.53257%0.573SS.*Hα-helixtrans-63.7-43.7174.9-72.1-178.9-163160.912112.1D8 L9 K14 A15 I16D8-R12 WeakPolarHBondContact O-CG 3.34Å; D8-R12 PolarHBondContact O-N 2.76Å; D8-R12 IonicContact OD1-CZ 3.59Å; D8-R12 IonicContact OD1-NE 2.94Å; D8-R12 IonicContact OD1-NH2 3.29Å; D8-R12 IonicContact OD2-CZ 3.94Å; D8-R12 IonicContact OD2-NH2 2.78Å; D8-R12 PolarHBondContact OD2-NH2 2.99Å; L9-R12 PolarHBondContact O-N 2.69Å; R12-K14 PolarHBondContact O-N 3.09Å; R12-A15 WeakPolarHBondContact O-CB 3.22Å; R12-A15 PolarHBondContact O-N 3.06Å; R12-I16 WeakPolarHBondContact O-CB 3.27Å; R12-I16 WeakPolarHBondContact O-CD1 3.49Å; R12-I16 WeakPolarHBondContact O-CG1 3.47Å; R12-I16 PolarHBondContact O-N 2.78Å
13D69.7Low63.8Low110 Ų110115.3 Ų115.359%0.58858%0.575SS**Hα-helixtrans-64-40.4176.7-90.10.4000112.2L9 A15 I16 L17L9-D13 WeakPolarHBondContact O-CB 3.32Å; L9-D13 PolarHBondContact O-N 2.74Å; D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 2.96Å; D13-I16 PolarHBondContact O-N 2.95Å; D13-L17 VanDerWaalsContact O-CB 3.25Å; D13-L17 WeakPolarHBondContact O-CB 3.5Å; D13-L17 PolarHBondContact O-N 2.93Å
14K71.4Confident64.2Low166 Ų166114.2 Ų114.272%0.72257%0.568SS**Hα-helixtrans-66-36.1173.9-76.6-173176.4-172.10112.4A10 I11 R12 G18A10-K14 WeakPolarHBondContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CG 3.26Å; A10-K14 PolarHBondContact O-N 3.26Å; I11-K14 PolarHBondContact O-N 3.38Å; R12-K14 PolarHBondContact O-N 3.09Å; K14-G18 PolarHBondContact O-N 2.99Å
15A69.9Low64.4Low62 Ų62116.5 Ų116.551%0.51257%0.567SS.*Hα-helixtrans-66.9-43.9174.900000111.6I11 R12 D13 G18 Q19I11-A15 WeakPolarHBondContact O-CB 3.47Å; I11-A15 PolarHBondContact O-N 3.34Å; R12-A15 WeakPolarHBondContact O-CB 3.22Å; R12-A15 PolarHBondContact O-N 3.06Å; D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 2.96Å; A15-G18 PolarHBondContact O-N 3.32Å; A15-Q19 WeakPolarHBondContact O-CB 3.06Å; A15-Q19 PolarHBondContact O-N 3.1Å
16I72.8Confident64.3Low77 Ų77112.7 Ų112.740%0.39557%0.567SS.*Hα-helixtrans-63.8-46176.2-67.1162.4000110.4R12 D13 G18 Q19 Q20R12-I16 WeakPolarHBondContact O-CB 3.27Å; R12-I16 WeakPolarHBondContact O-CD1 3.49Å; R12-I16 WeakPolarHBondContact O-CG1 3.47Å; R12-I16 PolarHBondContact O-N 2.78Å; D13-I16 PolarHBondContact O-N 2.95Å; I16-G18 VanDerWaalsContact C-N 3.34Å; I16-G18 PolarHBondContact O-N 3.42Å; I16-Q19 PolarHBondContact O-N 3.11Å; I16-Q20 WeakPolarHBondContact O-CG 3.32Å; I16-Q20 PolarHBondContact O-N 2.98Å
17L66.1Low64.2Low121 Ų121109.4 Ų109.463%0.63456%0.561SS**Hα-helixtrans-65.5-38178.5-158.274.2000111.6D13 Q20 R21D13-L17 VanDerWaalsContact O-CB 3.25Å; D13-L17 WeakPolarHBondContact O-CB 3.5Å; D13-L17 PolarHBondContact O-N 2.93Å; L17-Q20 PolarHBondContact O-N 2.83Å; L17-R21 WeakPolarHBondContact O-CB 3.38Å; L17-R21 PolarHBondContact O-N 3.03Å
18G70.3Confident64.3Low25 Ų25115.3 Ų115.326%0.25858%0.579SS.*Hα-helixtrans-66.8-36.3173.700000113.1K14 A15 I16 R22K14-G18 PolarHBondContact O-N 2.99Å; A15-G18 PolarHBondContact O-N 3.32Å; I16-G18 VanDerWaalsContact C-N 3.34Å; I16-G18 PolarHBondContact O-N 3.42Å; G18-R22 WeakPolarHBondContact O-CG 3.5Å; G18-R22 PolarHBondContact O-N 2.91Å; G18-R22 VanDerWaalsContact O-N 3.13Å
19Q72.1Confident64Low132 Ų132119.1 Ų119.162%0.61759%0.593SS**Hα-helixtrans-68.7-43.2174.1-170176.617.500111.1A15 I16 R21 R22 L23A15-Q19 WeakPolarHBondContact O-CB 3.06Å; A15-Q19 PolarHBondContact O-N 3.1Å; I16-Q19 PolarHBondContact O-N 3.11Å; Q19-R21 PolarHBondContact O-N 2.98Å; Q19-R22 PolarHBondContact O-N 3.32Å; Q19-L23 PolarHBondContact O-N 2.66Å
20Q70.9Confident63.8Low97 Ų97119.8 Ų119.845%0.45360%0.602SS.*Hα-helixtrans-64.6-37.3175.1-72.2-178.226.900112.6I16 L17 L23 K24I16-Q20 WeakPolarHBondContact O-CG 3.32Å; I16-Q20 PolarHBondContact O-N 2.98Å; L17-Q20 PolarHBondContact O-N 2.83Å; Q20-L23 PolarHBondContact O-N 2.92Å; Q20-K24 WeakPolarHBondContact O-CB 3.32Å; Q20-K24 WeakPolarHBondContact O-CG 3.43Å; Q20-K24 PolarHBondContact O-N 3.36Å
21R65.3Low63.6Low177 Ų177122 Ų12267%0.66860%0.603SS**Hα-helixtrans-63.9-41.5174.5-167.4180-165.8-178.85111.7L17 Q19 K24 Q25L17-R21 WeakPolarHBondContact O-CB 3.38Å; L17-R21 PolarHBondContact O-N 3.03Å; Q19-R21 PolarHBondContact O-N 2.98Å; R21-K24 PolarHBondContact O-N 2.88Å; R21-Q25 WeakPolarHBondContact O-CG 3.44Å; R21-Q25 PolarHBondContact O-N 2.85Å
22R62.7Low63.4Low185 Ų185126.5 Ų126.570%0.69862%0.618SS**Hα-helixtrans-64.4-42.9174.3-76.4-174.4-109.3-155.3-1.8111.8G18 Q19 K24 Q25 A26G18-R22 WeakPolarHBondContact O-CG 3.5Å; G18-R22 PolarHBondContact O-N 2.91Å; G18-R22 VanDerWaalsContact O-N 3.13Å; Q19-R22 PolarHBondContact O-N 3.32Å; R22-K24 PolarHBondContact O-N 3.23Å; R22-Q25 PolarHBondContact O-N 3.35Å; R22-A26 WeakPolarHBondContact O-CB 3.48Å; R22-A26 PolarHBondContact O-N 3.17Å
23L62.6Low63.1Low124 Ų124125.3 Ų125.365%0.64962%0.623SS**Hα-helixtrans-62.5-43177.8-149.381.2000111.6Q19 Q20 A26 T27Q19-L23 PolarHBondContact O-N 2.66Å; Q20-L23 PolarHBondContact O-N 2.92Å; L23-A26 PolarHBondContact O-N 2.87Å; L23-T27 PolarHBondContact O-N 3.38Å; L23-T27 PolarHBondContact O-OG1 3.01Å
24K60.8Low62.5Low157 Ų157125.3 Ų125.368%0.68363%0.632SS**Hα-helixtrans-68.9-30.5177.7-74-176.8178.2-177.30114Q20 R21 R22Q20-K24 WeakPolarHBondContact O-CB 3.32Å; Q20-K24 WeakPolarHBondContact O-CG 3.43Å; Q20-K24 PolarHBondContact O-N 3.36Å; R21-K24 PolarHBondContact O-N 2.88Å; R22-K24 PolarHBondContact O-N 3.23Å
25Q59.4Low61.8Low146 Ų146120.3 Ų120.368%0.68262%0.621SS**Hα-helixtrans-77.8-29.1172.7-74.3-176.5-21.400112.4R21 R22 T27R21-Q25 WeakPolarHBondContact O-CG 3.44Å; R21-Q25 PolarHBondContact O-N 2.85Å; R22-Q25 PolarHBondContact O-N 3.35Å; Q25-T27 VanDerWaalsContact C-N 3.31Å
26A53.4Low61.1Low84 Ų84121.5 Ų121.569%0.69462%0.619SS**Hα-helixtrans-77.3-14.3177.100000113.6R22 L23R22-A26 WeakPolarHBondContact O-CB 3.48Å; R22-A26 PolarHBondContact O-N 3.17Å; L23-A26 PolarHBondContact O-N 2.87Å
27T54.6Low60.4Low107 Ų107123.5 Ų123.566%0.65663%0.63SS**THydrogen-bonded Turntrans-10845.1179.3290000113.2L23 Q25L23-T27 PolarHBondContact O-N 3.38Å; L23-T27 PolarHBondContact O-OG1 3.01Å; Q25-T27 VanDerWaalsContact C-N 3.31Å
28Q58Low60.1Low160 Ų160122.7 Ų122.775%0.74863%0.625SS**  trans-131.279.7157.8-82.4-169.7-5.300110.2
29F52.2Low59.5Low157 Ų157126.9 Ų126.969%0.68965%0.648SS**  trans-126.365.9152.9-110.3-95000107.1H31 L37F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 AromaticContact CD1-CD2 3.5Å; F29-H31 VanDerWaalsContact CD1-CD2 3.5Å; F29-H31 WeakPolarHBondContact CD1-CD2 3.45Å; F29-H31 AromaticContact CE1-CD2 3.67Å; F29-H31 AromaticContact CE1-NE2 3.96Å; F29-L37 HydrophobicContact CD1-CD2 4.15Å; F29-L37 HydrophobicContact CE1-CD2 3.85Å
30T54.3Low58.7Low124 Ų124125.3 Ų125.376%0.76164%0.643SS**  trans-100.463.8165.157.50000108K32T30-K32 PolarHBondContact O-N 2.68Å
31H59.1Low58Low94 Ų94128.6 Ų128.644%0.43566%0.664SS.*  trans-75.5112.2162.3-70.5-89.3000106.2F29 D33 D36F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 AromaticContact CD1-CD2 3.5Å; F29-H31 VanDerWaalsContact CD1-CD2 3.5Å; F29-H31 WeakPolarHBondContact CD1-CD2 3.45Å; F29-H31 AromaticContact CE1-CD2 3.67Å; F29-H31 AromaticContact CE1-NE2 3.96Å; H31-D33 PolarHBondContact O-N 3.43Å; H31-D36 HydrophobicContact CB-CB 4.22Å; H31-D36 IonicContact CE1-OD2 3.43Å; H31-D36 IonicContact CG-OD2 2.61Å; H31-D36 IonicContact ND1-OD2 3.55Å; H31-D36 PolarHBondContact ND1-OD2 2.83Å
32K62.1Low57.3Low210 Ų210123.6 Ų123.691%0.91367%0.667SS**SBendtrans-81.21.4-176.8-120.7170.1172.31760112.9T30T30-K32 PolarHBondContact O-N 2.68Å
33D58Low56.7Low116 Ų116120.1 Ų120.162%0.6266%0.662SS**SBendtrans-129131.6173.5-86.8-46000109.6H31 A35H31-D33 PolarHBondContact O-N 3.43Å; D33-A35 PolarHBondContact O-N 2.95Å
34S56.2Low56.4Low111 Ų111122.9 Ų122.978%0.77667%0.669SS**THydrogen-bonded Turntrans-65-0.9176.250.20000113.9
35A56Low56.2Low61 Ų61124.5 Ų124.550%0.50467%0.671SS.*THydrogen-bonded Turntrans-80.3-21.1-178.700000113.9D33D33-A35 PolarHBondContact O-N 2.95Å
36D56.8Low55.7Low86 Ų86125.1 Ų125.146%0.4668%0.678SS.*THydrogen-bonded Turntrans-87.6-6.2-174.9-81.5-9.5000114.3H31 L38H31-D36 HydrophobicContact CB-CB 4.22Å; H31-D36 IonicContact CE1-OD2 3.43Å; H31-D36 IonicContact CG-OD2 2.61Å; H31-D36 IonicContact ND1-OD2 3.55Å; H31-D36 PolarHBondContact ND1-OD2 2.83Å; D36-L38 VanDerWaalsContact C-N 3.3Å
37L58.3Low55.9Low119 Ų119124.5 Ų124.562%0.62368%0.679SS**THydrogen-bonded Turntrans-881.5178.5-64.1-179.7000113.5F29F29-L37 HydrophobicContact CD1-CD2 4.15Å; F29-L37 HydrophobicContact CE1-CD2 3.85Å
38L58.8Low55.6Low104 Ų104126.1 Ų126.155%0.54569%0.69SS.*SBendtrans-91.5133.8172-60.6-180000108.6D36 L40D36-L38 VanDerWaalsContact C-N 3.3Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 PolarHBondContact O-N 2.93Å
39P57.5Low55.6Low113 Ų113121.5 Ų121.573%0.73468%0.675SS**  trans-59.797.5171.722.4-30.2000109.6D41 G42P39-D41 PolarHBondContact O-N 3.21Å; P39-G42 PolarHBondContact O-N 2.88Å
40L56.7Low55.9Low99 Ų99122.1 Ų122.152%0.51868%0.677SS.*THydrogen-bonded Turntrans-70.44.4-176.8-70.1179.1000114L38L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 PolarHBondContact O-N 2.93Å
41D55.2Low56.1Low167 Ų167118.4 Ų118.489%0.89365%0.653SS**THydrogen-bonded Turntrans-87.7-4.9171-83.4-24.7000113.8P39P39-D41 PolarHBondContact O-N 3.21Å
42G51.5Low56.1Low71 Ų71120 Ų12073%0.73266%0.664SS**THydrogen-bonded Turntrans-103-20.417000000114.5P39P39-G42 PolarHBondContact O-N 2.88Å
43L48.8Very low56.8Low113 Ų113114.9 Ų114.959%0.59264%0.643SS**  trans-101.529-172.6-149.973000112.9R45L43-R45 PolarHBondContact O-N 2.79Å
44K56.6Low57.4Low182 Ų182114 Ų11479%0.79164%0.644SS**THydrogen-bonded Turntrans-88.393.2168.1-144.2172.6-169.4169.50108.2
45R57.6Low58.4Low190 Ų190113.9 Ų113.972%0.71763%0.631SS**THydrogen-bonded Turntrans130.945.5157.5-71.2167.555.8-135.8-4.7115.5L43L43-R45 PolarHBondContact O-N 2.79Å
46L48.5Very low59.3Low160 Ų160112 Ų11284%0.83861%0.614SS**SBendtrans-119.6109.1156.5-160.867.1000109.4
47G56.4Low60.3Low70 Ų70110.8 Ų110.872%0.72261%0.607SS**SBendtrans112.2-7.9147.800000120.8
48T48.4Very low61.2Low142 Ų142108.9 Ų108.987%0.87160%0.6SS**  trans-126.3-1.9172.662.30000114.5K50T48-K50 PolarHBondContact O-N 2.82Å; T48-K50 VanDerWaalsContact O-N 3.17Å
49S57.7Low62.3Low63 Ų63109.2 Ų109.244%0.44160%0.598SS.*  trans-74.4112.9-178.3-147.90000109.5D51 L52S49-D51 PolarHBondContact O-N 3.3Å; S49-D51 VanDerWaalsContact OG-CB 3.29Å; S49-D51 WeakPolarHBondContact OG-CB 3.34Å; S49-L52 PolarHBondContact O-N 2.72Å
50K59.4Low63.2Low170 Ų170110.1 Ų110.174%0.73959%0.587SS**G310 helixtrans-53.4-6.1168.3-67.6-177.4175-1790113.6T48 Q53 S56T48-K50 PolarHBondContact O-N 2.82Å; T48-K50 VanDerWaalsContact O-N 3.17Å; K50-Q53 WeakPolarHBondContact O-CB 3.35Å; K50-Q53 WeakPolarHBondContact O-CG 3.48Å; K50-Q53 PolarHBondContact O-N 2.87Å; K50-S56 WeakPolarHBondContact O-CB 3.38Å; K50-S56 PolarHBondContact O-OG 3.2Å
51D58.3Low64.3Low46 Ų46114.5 Ų114.525%0.24660%0.597CS.*G310 helixtrans-75.4-16.1-175.6-159.851.5000114.8S49 R60S49-D51 PolarHBondContact O-N 3.3Å; S49-D51 VanDerWaalsContact OG-CB 3.29Å; S49-D51 WeakPolarHBondContact OG-CB 3.34Å; D51-R60 IonicContact OD1-CZ 2.87Å; D51-R60 IonicContact OD1-NH2 3.66Å; D51-R60 PolarHBondContact OD1-NH2 3.48Å; D51-R60 IonicContact OD2-CZ 3.66Å; D51-R60 IonicContact OD2-NH1 3.61Å; D51-R60 IonicContact OD2-NH2 3.9Å; D51-R60 PolarHBondContact OD2-NH2 2.96Å
52L58.7Low65.3Low126 Ų126113 Ų11366%0.6659%0.588SS**G310 helixtrans-96.51.5172.2-64.9177.1000113S49S49-L52 PolarHBondContact O-N 2.72Å
53Q77.2Confident66.2Low104 Ų104117 Ų11749%0.48659%0.59SS.*SBendtrans-71.3145.2172.8-63.8-121.1-69.800109.9K50 H55 S56 I57K50-Q53 WeakPolarHBondContact O-CB 3.35Å; K50-Q53 WeakPolarHBondContact O-CG 3.48Å; K50-Q53 PolarHBondContact O-N 2.87Å; Q53-H55 VanDerWaalsContact C-N 3.26Å; Q53-H55 VanDerWaalsContact CB-CE1 3.47Å; Q53-H55 WeakPolarHBondContact CB-CE1 3.29Å; Q53-H55 PolarHBondContact O-N 3.37Å; Q53-H55 PolarHBondContact OE1-CE1 2.83Å; Q53-S56 WeakPolarHBondContact O-CB 3.46Å; Q53-S56 PolarHBondContact O-N 3.33Å; Q53-I57 PolarHBondContact O-N 3.05Å
54P71.1Confident67.2Low98 Ų98114.3 Ų114.364%0.63658%0.584SS**Hα-helixtrans-57.4-37.7-172.616.4-28.6000113.1I57 V58P54-I57 PolarHBondContact O-N 2.89Å; P54-V58 WeakPolarHBondContact O-CG2 3.44Å; P54-V58 PolarHBondContact O-N 3.32Å
55H76.1Confident67Low108 Ų108107.7 Ų107.750%0.557%0.567SS.*Hα-helixtrans-65.2-40.7177.764.3-91.3000112.7Q53 I57 V58 Q59Q53-H55 VanDerWaalsContact C-N 3.26Å; Q53-H55 VanDerWaalsContact CB-CE1 3.47Å; Q53-H55 WeakPolarHBondContact CB-CE1 3.29Å; Q53-H55 PolarHBondContact O-N 3.37Å; Q53-H55 PolarHBondContact OE1-CE1 2.83Å; H55-I57 PolarHBondContact O-N 3.47Å; H55-V58 PolarHBondContact O-N 3.18Å; H55-Q59 WeakPolarHBondContact O-CB 3.35Å; H55-Q59 PolarHBondContact O-N 3.39Å
56S76.6Confident67.1Low21 Ų21106.7 Ų106.715%0.14758%0.576CS.*Hα-helixtrans-65.6-37178.8-55.40000112.5K50 Q53 R60K50-S56 WeakPolarHBondContact O-CB 3.38Å; K50-S56 PolarHBondContact O-OG 3.2Å; Q53-S56 WeakPolarHBondContact O-CB 3.46Å; Q53-S56 PolarHBondContact O-N 3.33Å; S56-R60 WeakPolarHBondContact O-CB 3.35Å; S56-R60 PolarHBondContact O-N 3.06Å
57I76.6Confident67.4Low60 Ų60105.9 Ų105.931%0.30857%0.571SS.*Hα-helixtrans-66.4-44.9176.9-63.9168.6000110.5Q53 P54 H55 R60 R61Q53-I57 PolarHBondContact O-N 3.05Å; P54-I57 PolarHBondContact O-N 2.89Å; H55-I57 PolarHBondContact O-N 3.47Å; I57-R60 PolarHBondContact O-N 3.34Å; I57-R61 WeakPolarHBondContact O-CG 3.47Å; I57-R61 PolarHBondContact O-N 3.44Å
58V78.2Confident66.9Low79 Ų79108.4 Ų108.448%0.47957%0.573SS.*Hα-helixtrans-66.2-45.9178.2173.90000110.6P54 H55 R60 R61 L62P54-V58 WeakPolarHBondContact O-CG2 3.44Å; P54-V58 PolarHBondContact O-N 3.32Å; H55-V58 PolarHBondContact O-N 3.18Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.49Å; V58-R61 PolarHBondContact O-N 3.48Å; V58-R61 VanDerWaalsContact O-N 3.11Å; V58-L62 HydrophobicContact CG1-CD1 3.72Å; V58-L62 HydrophobicContact CG1-CG 4.25Å; V58-L62 WeakPolarHBondContact O-CB 3.29Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 2.91Å
59Q80.6Confident66.9Low111 Ų111110 Ų11052%0.51957%0.571SS.*Hα-helixtrans-58.3-43176.2-174.6175.6-11.400111.3H55 L62 M63H55-Q59 WeakPolarHBondContact O-CB 3.35Å; H55-Q59 PolarHBondContact O-N 3.39Å; Q59-L62 PolarHBondContact O-N 3.37Å; Q59-M63 HydrophobicContact CG-CG 4.19Å; Q59-M63 VanDerWaalsContact O-CB 3.25Å; Q59-M63 WeakPolarHBondContact O-CB 3.38Å; Q59-M63 WeakPolarHBondContact O-CG 3.46Å; Q59-M63 PolarHBondContact O-N 2.95Å
60R78.2Confident66.4Low132 Ų132114.7 Ų114.750%0.49859%0.59SS.*Hα-helixtrans-60.2-47.3173.5178-177-66.5-177.5-7.9112D51 S56 I57 V58 L62 M63 A64D51-R60 IonicContact OD1-CZ 2.87Å; D51-R60 IonicContact OD1-NH2 3.66Å; D51-R60 PolarHBondContact OD1-NH2 3.48Å; D51-R60 IonicContact OD2-CZ 3.66Å; D51-R60 IonicContact OD2-NH1 3.61Å; D51-R60 IonicContact OD2-NH2 3.9Å; D51-R60 PolarHBondContact OD2-NH2 2.96Å; S56-R60 WeakPolarHBondContact O-CB 3.35Å; S56-R60 PolarHBondContact O-N 3.06Å; I57-R60 PolarHBondContact O-N 3.34Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.49Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 3.29Å; R60-M63 PolarHBondContact O-N 2.78Å; R60-A64 WeakPolarHBondContact O-CA 3.35Å; R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 2.87Å
61R78.1Confident65.3Low192 Ų192118.5 Ų118.573%0.72560%0.599SS**Hα-helixtrans-64.5-37.3-179.4-73.6177.5-179.11781112.3I57 V58I57-R61 WeakPolarHBondContact O-CG 3.47Å; I57-R61 PolarHBondContact O-N 3.44Å; V58-R61 PolarHBondContact O-N 3.48Å; V58-R61 VanDerWaalsContact O-N 3.11Å
62L76.7Confident64.2Low136 Ų136119.6 Ų119.671%0.71262%0.622SS**Hα-helixtrans-70.7-40.2176.4-70.1170.9000112V58 Q59 R60V58-L62 HydrophobicContact CG1-CD1 3.72Å; V58-L62 HydrophobicContact CG1-CG 4.25Å; V58-L62 WeakPolarHBondContact O-CB 3.29Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 2.91Å; Q59-L62 PolarHBondContact O-N 3.37Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 3.29Å
63M69.8Low63Low154 Ų154120.8 Ų120.876%0.75962%0.624SS**Hα-helixtrans-79-31.3179.7-65.3-118.5164.200112.9Q59 R60 G65Q59-M63 HydrophobicContact CG-CG 4.19Å; Q59-M63 VanDerWaalsContact O-CB 3.25Å; Q59-M63 WeakPolarHBondContact O-CB 3.38Å; Q59-M63 WeakPolarHBondContact O-CG 3.46Å; Q59-M63 PolarHBondContact O-N 2.95Å; R60-M63 PolarHBondContact O-N 2.78Å; M63-G65 PolarHBondContact O-N 3.23Å
64A70.4Confident60.8Low57 Ų57120.8 Ų120.847%0.47164%0.642SS.*SBendtrans-80.537.6175.500000112R60 N66R60-A64 WeakPolarHBondContact O-CA 3.35Å; R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 2.87Å; A64-N66 PolarHBondContact O-N 2.91Å
65G53.5Low59.2Low43 Ų43125.9 Ų125.944%0.44365%0.648SS.*  trans-37.8126.2-170.800000113.8M63 I67M63-G65 PolarHBondContact O-N 3.23Å; G65-I67 WeakPolarHBondContact O-CG1 3.33Å; G65-I67 PolarHBondContact O-N 3.22Å; G65-I67 VanDerWaalsContact O-N 3.12Å
66N58.4Low57.2Low168 Ų168127.7 Ų127.790%0.89867%0.667SS**  trans2473.5160.7-59.5-2.5000116.1A64 T68A64-N66 PolarHBondContact O-N 2.91Å; N66-T68 PolarHBondContact O-N 3.27Å
67I54.5Low55.2Low143 Ų143130 Ų13073%0.73369%0.694SS**  trans-96.786.7166.8-35.1178.8000108.2G65G65-I67 WeakPolarHBondContact O-CG1 3.33Å; G65-I67 PolarHBondContact O-N 3.22Å; G65-I67 VanDerWaalsContact O-N 3.12Å
68T46.6Very low53.1Low124 Ų124137.6 Ų137.676%0.76172%0.719SS**  trans63.199.9153.956.10000119.2N66N66-T68 PolarHBondContact O-N 3.27Å
69Q48.7Very low51.3Low176 Ų176140 Ų14082%0.82274%0.736SS**  trans-58.9153.4131.4-72.6-147.952.300111.4
70L46.5Very low49Very low161 Ų161139.7 Ų139.784%0.84375%0.746SS**  trans82.299.7155.9-61.5164.6000120.6
71R36.9Very low47.2Very low250 Ų250139.1 Ų139.194%0.94376%0.76SS**  trans-160.782.8136.8-169.3171.8179.6-142.2-1.4107.3
72G34.7Very low45.1Very low69 Ų69138 Ų13871%0.71177%0.767SS**  69.4127.792.300000111.1
73E34Very low43.1Very low150 Ų150137.9 Ų137.970%0.70177%0.771SS**  cis-178.6136.510.6-166.1179.1139.400106.1R75E73-R75 IonicContact OE1-CZ 3.48Å; E73-R75 IonicContact OE1-NE 3.27Å; E73-R75 PolarHBondContact OE1-NE 2.97Å; E73-R75 IonicContact OE1-NH2 2.83Å; E73-R75 PolarHBondContact OE1-NH2 3.26Å
74A31.3Very low41.5Very low105 Ų105137.8 Ų137.887%0.86877%0.774SS**  trans-167.1106.2152.100000111.2
75R36.7Very low39.8Very low204 Ų204140 Ų14077%0.7779%0.786SS**  trans-56.1137.5-178.8-57160.6-167.8-1761.3113.8E73E73-R75 IonicContact OE1-CZ 3.48Å; E73-R75 IonicContact OE1-NE 3.27Å; E73-R75 PolarHBondContact OE1-NE 2.97Å; E73-R75 IonicContact OE1-NH2 2.83Å; E73-R75 PolarHBondContact OE1-NH2 3.26Å
76V35.3Very low38.9Very low147 Ų147147.6 Ų147.689%0.89181%0.807SS**  trans-147.9110.8131.1-178.60000107.9
77G33.3Very low37.6Very low70 Ų70148.7 Ų148.772%0.72281%0.807SS**  trans-80139.2177.400000112.4
78R33.6Very low36.5Very low219 Ų219145.6 Ų145.683%0.82681%0.81SS**  trans-132.6116.7154.8-93.4179.268-133.52.6107.5
79P39.1Very low35.7Very low130 Ų130143.5 Ų143.584%0.84481%0.813SS**  trans-79.6145.2171.45.411000110.1
80S33.3Very low35.1Very low104 Ų104140.6 Ų140.673%0.72782%0.819SS**  trans-124.3156.4166.4-70.70000108.5
81P40.5Very low34.5Very low120 Ų120136.6 Ų136.678%0.77982%0.817SS**  trans-93.2139.3-131.334-33.5000113
82L33.6Very low34.3Very low168 Ų168132.7 Ų132.788%0.8882%0.815SS**  trans-130.8106.2162.6-166.979000106.7
83V35.3Very low34.7Very low133 Ų133133.9 Ų133.981%0.80682%0.818SS**  trans-92117.1168.7-58.30000106.5
84D35.1Very low35Very low152 Ų152135.5 Ų135.581%0.81383%0.826SS**  trans-134.4141.1158.5-143.6-57.3000108.1
85S35.8Very low35.4Very low104 Ų104138.5 Ų138.573%0.72782%0.821SS**  trans-103.2140.7-157.5-59.60000110.8
86K33.4Very low35.4Very low202 Ų202136.9 Ų136.988%0.87882%0.82SS**  trans-165.6141.4137.9-158.9123.8179.2175.50113.6
87E30.9Very low36Very low192 Ų192134.3 Ų134.390%0.89781%0.809SS**  trans92.5114.3156.6-148.9173.3149.600115.8
88G32.6Very low36.4Very low78 Ų78139.8 Ų139.880%0.80482%0.815SS**  cis-179.4163-2.900000109.5
89G29.7Very low36.7Very low79 Ų79133.6 Ų133.681%0.81481%0.806SS**  trans116.8111.1156.200000118.6
90A34.8Very low36.5Very low115 Ų115133.8 Ų133.895%0.9581%0.805SS**  trans81.2121.3150.800000120.2
91G34.8Very low36.8Very low78 Ų78132.4 Ų132.480%0.80480%0.8SS**  trans142.185.4155.400000115.6
92D33.7Very low36.8Very low168 Ų168134.1 Ų134.190%0.89880%0.803SS**  trans17.4151.9148.3-109.2-94.6000124.7
93A42.4Very low37Very low94 Ų94132.3 Ų132.378%0.77779%0.794SS**  trans104.6119.4150.400000118.8
94E39.6Very low37.5Very low184 Ų184129.9 Ų129.986%0.8678%0.783SS**  trans-66.9169.6177-62.4-170.1102.600115.1
95E40Very low37.9Very low167 Ų167128 Ų12878%0.7878%0.776SS**  trans133.7101.5151.1-69.7-92.8113.900108.7
96K36.6Very low38.5Very low170 Ų170131.7 Ų131.774%0.73978%0.782SS**  91.7133.375.4-177.3173.4173.9-178.60112.8
97S48.8Very low38.8Very low94 Ų94131 Ų13166%0.65778%0.782SS**  trans100.8111.7165.5-43.40000114.6
98E41.1Very low39.5Very low184 Ų184127.8 Ų127.886%0.8678%0.781SS**  78.1128.173.9-172.8174.58700109.5
99S39.9Very low39.9Very low89 Ų89132.8 Ų132.862%0.62278%0.783SS**  cis-167.5159.323.336.20000109.1
100T35.3Very low40.2Very low134 Ų134139 Ų13982%0.82278%0.782SS**  trans36.5152.3137.465.20000121.6
101A39.3Very low40.3Very low76 Ų76138.5 Ų138.563%0.62877%0.772SS**  cis-178.5155.4-10.500000105.7
102D39.9Very low40.7Very low156 Ų156141.6 Ų141.683%0.83477%0.769SS**  trans53.1156148.4-72.3-67.6000120
103D37.6Very low40.9Very low130 Ų130142.1 Ų142.170%0.69577%0.766SS**  cis-177.9151.9-9.117244.2000105.8
104S45.7Very low40.5Very low82 Ų82143.8 Ų143.857%0.57377%0.767SS**  trans52121.9152.3-71.20000123.5
105T43.8Very low40.7Very low111 Ų111146 Ų14668%0.68177%0.768SS**  75122.578.2-25.70000113.6
106E47.7Very low40.5Very low182 Ų182143.3 Ų143.385%0.8577%0.767SS**  trans138118.7134-62.3-98.5107.600111.9
107E40.5Very low40.9Very low188 Ų188142.3 Ų142.388%0.87977%0.77SS**  trans-82.9141.2172.4-51.8-138.8113.100109.4
108S46.6Very low40.4Very low124 Ų124146.4 Ų146.487%0.86778%0.778SS**  trans-135.5106.3174.6-146.10000110.6
109E39Very low40.8Very low184 Ų184146.5 Ų146.586%0.8678%0.779SS**  trans-76132.4175-40.8-170.7129.800109
110R37.5Very low40.7Very low208 Ų208150.8 Ų150.879%0.78579%0.789SS**  trans-132.3101.9169.5-164.3167.8-174.4-95.2-2.9111.4
111S37Very low40.8Very low106 Ų106151.2 Ų151.274%0.74179%0.786SS**  trans-58.8139.5160.3-51.90000110.5
112L43.4Very low40.6Very low142 Ų142152 Ų15274%0.74379%0.787SS**  trans-119.8105.8167.7-80.9175.7000108.8
113E37.2Very low40.6Very low179 Ų179149.3 Ų149.384%0.83678%0.781SS**  trans-81.9153.4170.2-66.8-177.5112.700111.3
114T34.6Very low40.5Very low129 Ų129152.3 Ų152.379%0.79179%0.791SS**  trans-46.5139172.244.60000115
115R42.8Very low40.3Very low232 Ų232153.5 Ų153.588%0.87581%0.805SS**  trans-137.9119.5154.1-70.8-168.6170.2-167.1-4.9110.5
116S36.3Very low39.8Very low110 Ų110152.3 Ų152.377%0.76982%0.815SS**  trans-86.2134.1165-36.80000107.2
117D43.8Very low39.1Very low149 Ų149147.5 Ų147.580%0.79782%0.815SS**  trans-138.6123.3160.6-80.4-46.8000108.1
118E39.8Very low39.2Very low179 Ų179148.3 Ų148.384%0.83682%0.815SS**  trans-90.6142.5170.2-57-160.4132.700108.4
119E48.7Very low38.7Very low187 Ų187149 Ų14987%0.87481%0.814SS**  trans-136112.7163.6-71.6-69.6157.600107.9
120E38.8Very low38.7Very low179 Ų179145.1 Ų145.184%0.83681%0.808SS**  trans-94.7149.2163-70.4-153.1151.200109.9
121D36.1Very low38.8Very low142 Ų142140.5 Ų140.576%0.75981%0.807SS**  131132.6126.6-156.920.9000117.2
122S36.1Very low38.8Very low92 Ų92142.5 Ų142.564%0.64382%0.815SS**  trans64.8151.5147.172.90000120.5
123S38.6Very low38.6Very low101 Ų101140.8 Ų140.871%0.70682%0.822SS**  cis-176.9147.8-25.754.90000106.7
124E37.3Very low38.4Very low193 Ų193135.7 Ų135.790%0.90282%0.817SS**  trans52.9116.7148.2-60.7-139.1115.800123.1
125A40.9Very low38.9Very low106 Ų106135.4 Ų135.488%0.87682%0.82SS**  -167.1125.2121.500000106.6
126G32.9Very low38.6Very low87 Ų87131 Ų13190%0.89781%0.814SS**  cis111.584.134.800000108.4
127G33.2Very low38.8Very low81 Ų81134.8 Ų134.884%0.83582%0.817SS**  trans-173.884.6178.200000114.4
128K41.8Very low38.7Very low205 Ų205133 Ų13389%0.89181%0.811SS**  trans-64.3146177.6-72.5166.1168.7171.90113.1
129T37.1Very low39Very low137 Ų137132.3 Ų132.384%0.8481%0.808SS**  -160.9121120.5360000113.1
130S39.3Very low38.9Very low104 Ų104131.3 Ų131.373%0.72780%0.803SS**  trans48.895146.859.70000122.4
131S39.9Very low39.3Very low110 Ų110132.8 Ų132.877%0.76980%0.801SS**  16.6121.9125.859.80000120.1
132T35.4Very low40.2Very low149 Ų149136.3 Ų136.391%0.91480%0.804SS**  -152.9140.9118.1-19.40000110.7
133A39.2Very low41.1Very low106 Ų106140.8 Ų140.888%0.87681%0.812SS**  trans-63.2148.6-173.100000114
134G34.7Very low41.9Very low71 Ų71144.9 Ų144.973%0.73282%0.819SS**  trans165.160.7175.100000110D136G134-D136 PolarHBondContact O-N 2.97Å
135S43.8Very low43Very low123 Ų123144.6 Ų144.686%0.8681%0.81SS**  trans-6878.4170.849.60000109.7K137S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.33Å
136D36.2Very low44.1Very low139 Ų139144.6 Ų144.674%0.74380%0.801SS**  trans-90.781157.9-130.1-62.3000106.4G134 T138G134-D136 PolarHBondContact O-N 2.97Å; D136-T138 PolarHBondContact O-N 2.86Å
137K41.8Very low45.8Very low191 Ų191149.2 Ų149.283%0.8380%0.804SS**  trans-6783.9153.5-73.9-173.8176.5-176.40104.8S135 E139S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.33Å; K137-E139 PolarHBondContact O-N 2.89Å
138T41Very low48.2Very low110 Ų110147.2 Ų147.268%0.67578%0.776SS**  trans-61.789.9155.9-45.30000104D136 E140D136-T138 PolarHBondContact O-N 2.86Å; T138-E140 PolarHBondContact O-N 3.27Å
139E45.9Very low50.5Low165 Ų165141.6 Ų141.677%0.77176%0.759SS**  trans-53.996.1151.2-76.9-140.3146.100104K137 R141K137-E139 PolarHBondContact O-N 2.89Å; E139-R141 PolarHBondContact O-N 3.16Å
140E46.3Very low53.2Low166 Ų166136.8 Ų136.878%0.77673%0.728SS**  trans-63.477.7155.3-158.9-168.1176.700103.8T138 R142T138-E140 PolarHBondContact O-N 3.27Å; E140-R142 PolarHBondContact O-N 3.32Å
141R48.5Very low55.9Low211 Ų211134.2 Ų134.280%0.79671%0.706SS**  trans-57.394.3169.3-170.4177.6-161.4-112.12.3101.6E139 K143E139-R141 PolarHBondContact O-N 3.16Å; R141-K143 PolarHBondContact O-N 2.93Å
142R53.4Low58.6Low216 Ų216129 Ų12982%0.81567%0.669SS**  trans-49.6100175.3-79-179.3173.3173.1-1.6103E140 E144E140-R142 PolarHBondContact O-N 3.32Å; R142-E144 PolarHBondContact O-N 2.8Å
143K55.6Low61.5Low186 Ų186124.7 Ų124.781%0.80964%0.638SS**  trans-61.899.8173-99.5179.7173.9175.70101.4R141 R145R141-K143 PolarHBondContact O-N 2.93Å; K143-R145 WeakPolarHBondContact O-CG 3.35Å; K143-R145 PolarHBondContact O-N 3.34Å
144E56.6Low64.2Low186 Ų186119.9 Ų119.987%0.86960%0.599SS**  trans-56.199.2170.9-70.5-175.9174.500104.1R142R142-E144 PolarHBondContact O-N 2.8Å
145R60.3Low67.2Low188 Ų188120.8 Ų120.871%0.70958%0.582SS**PPolyproline II helixtrans-65.7130.3-179.4-57.6-174.1-162-169.64.3104K143 L147K143-R145 WeakPolarHBondContact O-CG 3.35Å; K143-R145 PolarHBondContact O-N 3.34Å; R145-L147 PolarHBondContact O-N 3.1Å
146P63.9Low69.7Low105 Ų105115 Ų11568%0.68254%0.542SS*.PPolyproline II helixtrans-50.5139.6177.420.9-31.4000108.7T148P146-T148 WeakPolarHBondContact O-CG2 3.42Å; P146-T148 PolarHBondContact O-N 3.17Å; P146-T148 VanDerWaalsContact O-N 3.11Å
147L68.4Low72.3Confident185 Ų185110.6 Ų110.697%0.96952%0.522SS*.PPolyproline II helixtrans-60.9119.4176-63.1177.4000107.5R145R145-L147 PolarHBondContact O-N 3.1Å
148T82.8Confident74.7Confident39 Ų39107.8 Ų107.824%0.23952%0.515CS..  trans-114.8147.1-175.964.70000109.9P146 L150 P263P146-T148 WeakPolarHBondContact O-CG2 3.42Å; P146-T148 PolarHBondContact O-N 3.17Å; P146-T148 VanDerWaalsContact O-N 3.11Å; T148-L150 PolarHBondContact O-N 3.49Å; T148-P263 HydrophobicContact CG2-CB 3.35Å; T148-P263 HydrophobicContact CG2-CG 3.43Å; T148-P263 VanDerWaalsContact CG2-CG 3.43Å
149T90.3Very high77.3Confident86 Ų86105.5 Ų105.553%0.52850%0.502SS..  trans-55.8134.3174.8-49.20000109.9L151T149-L151 HydrophobicContact CG2-CD1 3.52Å; T149-L151 WeakPolarHBondContact O-CD1 3.03Å; T149-L151 PolarHBondContact O-N 2.96Å
150L94.8Very high79.7Confident37 Ų37103.5 Ų103.519%0.19449%0.492CS..  trans-75.4105.5175.9-57176.5000108.2T148 S164 I165 V242 L244 F260T148-L150 PolarHBondContact O-N 3.49Å; L150-S164 CarbonylContact O-C 3.54Å; L150-S164 VanDerWaalsContact O-CA 3.32Å; L150-S164 WeakPolarHBondContact O-CA 3.27Å; L150-I165 HydrophobicContact CB-CB 4.17Å; L150-I165 HydrophobicContact CB-CG1 4.27Å; L150-I165 PolarHBondContact O-N 3.23Å; L150-V242 HydrophobicContact CD1-CG1 3.77Å; L150-L244 HydrophobicContact CD1-CD2 3.7Å; L150-L244 HydrophobicContact CD2-CD2 3.96Å; L150-L244 HydrophobicContact CG-CD2 4.48Å; L150-F260 HydrophobicContact CB-CD1 4.06Å; L150-F260 HydrophobicContact CB-CE1 4.06Å; L150-F260 HydrophobicContact CD1-CZ 4.4Å; L150-F260 HydrophobicContact CD2-CD2 4.04Å; L150-F260 HydrophobicContact CD2-CE2 4.21Å; L150-F260 HydrophobicContact CD2-CG 4.29Å
151L95.6Very high82.1Confident50 Ų5095.6 Ų95.626%0.26246%0.455SS..EExtended strand (participates in β ladder)trans-107.1140.3178.9-91.871.6000110.7T149 K162 A163 F260 M261T149-L151 HydrophobicContact CG2-CD1 3.52Å; T149-L151 WeakPolarHBondContact O-CD1 3.03Å; T149-L151 PolarHBondContact O-N 2.96Å; L151-K162 HydrophobicContact CD2-CB 4.23Å; L151-K162 HydrophobicContact CD2-CD 4.32Å; L151-A163 CarbonylContact C-O 3.54Å; L151-A163 WeakPolarHBondContact CA-O 3.34Å; L151-F260 CarbonylContact O-C 3.51Å; L151-F260 VanDerWaalsContact O-CA 3.27Å; L151-F260 WeakPolarHBondContact O-CA 3.35Å; L151-M261 HydrophobicContact CB-CB 4.03Å; L151-M261 HydrophobicContact CB-CG 4.13Å; L151-M261 HydrophobicContact CB-SD 4.21Å; L151-M261 PolarHBondContact O-N 3.03Å
152V96.6Very high84.3Confident0 Ų090 Ų900%044%0.437CS..EExtended strand (participates in β ladder)trans-129.5151.8169.6-62.60000110.1A163 I165 L209 L249 F260V152-A163 HydrophobicContact CG2-CB 4.19Å; V152-A163 PolarHBondContact N-O 2.82Å; V152-A163 PolarHBondContact O-N 3.42Å; V152-I165 HydrophobicContact CG2-CD1 3.91Å; V152-L209 HydrophobicContact CG2-CD2 4.48Å; V152-L249 HydrophobicContact CG1-CB 4.08Å; V152-L249 HydrophobicContact CG1-CD2 4.16Å; V152-L249 HydrophobicContact CG2-CD2 4.28Å; V152-F260 HydrophobicContact CG1-CD1 3.59Å; V152-F260 HydrophobicContact CG1-CE1 3.81Å
153Q95.9Very high86.4Confident58 Ų5879.8 Ų79.827%0.27140%0.398SS..EExtended strand (participates in β ladder)trans-82132.4170.8-16465.744.100109.3E160 V161Q153-E160 HydrophobicContact CG-CG 3.94Å; Q153-E160 VanDerWaalsContact CG-OE1 3.3Å; Q153-E160 WeakPolarHBondContact CG-OE1 3.19Å; Q153-E160 VanDerWaalsContact NE2-CD 3.31Å; Q153-V161 PolarHBondContact NE2-O 3.02Å
154C96.2Very high88.4Confident6 Ų671.2 Ų71.24%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-139.8172.4174.5690000110.3E160 V161 L207 Q208 L209C154-E160 WeakPolarHBondContact O-CA 3.5Å; C154-V161 PolarHBondContact N-O 3.36Å; C154-V161 PolarHBondContact O-N 2.94Å; C154-V161 PolarHBondContact SG-O 3.21Å; C154-L207 HydrophobicContact CB-CD1 4.14Å; C154-Q208 WeakPolarHBondContact CA-O 3.44Å; C154-Q208 WeakPolarHBondContact CB-O 3.23Å; C154-L209 HydrophobicContact CB-CD1 3.47Å; C154-L209 VanDerWaalsContact CB-CD1 3.47Å; C154-L209 HydrophobicContact CB-CG 4.09Å
155K96.9Very high90.3Very high89 Ų8963.3 Ų63.339%0.38733%0.325SS..EExtended strand (participates in β ladder)trans-113.7129.6169.7-60.1179.3179.2-177.40110T159 E160 L207 Q208K155-T159 CarbonylContact C-O 3.56Å; K155-T159 VanDerWaalsContact CA-O 3.24Å; K155-T159 WeakPolarHBondContact CA-O 3.3Å; K155-E160 HydrophobicContact CG-CG 4.43Å; K155-L207 CarbonylContact O-C 3.55Å; K155-L207 WeakPolarHBondContact O-CA 3.33Å; K155-Q208 HydrophobicContact CB-CB 4.23Å; K155-Q208 PolarHBondContact N-O 3.48Å; K155-Q208 PolarHBondContact O-N 3.04Å
156C96.1Very high92Very high2 Ų257.2 Ų57.21%0.01431%0.307CS..EExtended strand (participates in β ladder)trans-117.3119.3171.2-173.10000107.7D158 T159 V161 L182 Q206C156-D158 VanDerWaalsContact C-N 3.31Å; C156-D158 PolarHBondContact O-N 3.35Å; C156-T159 PolarHBondContact N-O 2.88Å; C156-T159 PolarHBondContact O-N 3.03Å; C156-V161 HydrophobicContact CB-CG2 4.03Å; C156-L182 HydrophobicContact CB-CD1 4Å; C156-Q206 WeakPolarHBondContact CA-O 3.37Å
157C92.3Very high93.6Very high47 Ų4756.3 Ų56.332%0.31830%0.3SS..THydrogen-bonded Turntrans5150.4-176-56.70000111.9T159 Q206C157-T159 PolarHBondContact O-N 3.15Å; C157-T159 PolarHBondContact O-OG1 2.78Å; C157-Q206 PolarHBondContact N-O 2.78Å
158D92.1Very high94.9Very high131 Ų13150.8 Ų50.870%0.70129%0.287SS*.THydrogen-bonded Turntrans61.45.3-177.9-59.2-46.3000116.7C156C156-D158 VanDerWaalsContact C-N 3.31Å; C156-D158 PolarHBondContact O-N 3.35Å
159T95.7Very high95.5Very high63 Ų6349.6 Ų49.639%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-103.4136.2176.7-55.40000110.5K155 C156 C157 V161 L182K155-T159 CarbonylContact C-O 3.56Å; K155-T159 VanDerWaalsContact CA-O 3.24Å; K155-T159 WeakPolarHBondContact CA-O 3.3Å; C156-T159 PolarHBondContact N-O 2.88Å; C156-T159 PolarHBondContact O-N 3.03Å; C157-T159 PolarHBondContact O-N 3.15Å; C157-T159 PolarHBondContact O-OG1 2.78Å; T159-V161 PolarHBondContact O-N 2.98Å; T159-L182 VanDerWaalsContact CB-CD2 3.42Å; T159-L182 HydrophobicContact CG2-CD2 3.63Å
160E96.4Very high95.8Very high122 Ų12250.9 Ų50.957%0.5728%0.28SS*.EExtended strand (participates in β ladder)trans-68.2130.1175.8-115.2-168.1-17700111.9Q153 C154 K155Q153-E160 HydrophobicContact CG-CG 3.94Å; Q153-E160 VanDerWaalsContact CG-OE1 3.3Å; Q153-E160 WeakPolarHBondContact CG-OE1 3.19Å; Q153-E160 VanDerWaalsContact NE2-CD 3.31Å; C154-E160 WeakPolarHBondContact O-CA 3.5Å; K155-E160 HydrophobicContact CG-CG 4.43Å
161V96.1Very high95.9Very high0 Ų053 Ų530%029%0.289CS..EExtended strand (participates in β ladder)trans-139.1140.9-179.3-177.60000109.7Q153 C154 C156 T159 L182 E227 L228Q153-V161 PolarHBondContact NE2-O 3.02Å; C154-V161 PolarHBondContact N-O 3.36Å; C154-V161 PolarHBondContact O-N 2.94Å; C154-V161 PolarHBondContact SG-O 3.21Å; C156-V161 HydrophobicContact CB-CG2 4.03Å; T159-V161 PolarHBondContact O-N 2.98Å; V161-L182 HydrophobicContact CG2-CD1 4.21Å; V161-L182 HydrophobicContact CG2-CD2 4.1Å; V161-E227 HydrophobicContact CG1-CB 3.69Å; V161-E227 WeakPolarHBondContact CG1-OE2 3.24Å; V161-L228 HydrophobicContact CG1-CB 3.79Å
162K95.3Very high96Very high95 Ų9550.8 Ų50.841%0.41328%0.277SS..EExtended strand (participates in β ladder)trans-84.1121.3172.7-65.7-178.7-173.3-179.20110L151 E227 L228 M261L151-K162 HydrophobicContact CD2-CB 4.23Å; L151-K162 HydrophobicContact CD2-CD 4.32Å; K162-E227 PolarHBondContact N-OE2 2.71Å; K162-L228 PolarHBondContact O-N 2.86Å; K162-M261 HydrophobicContact CD-CE 4.22Å; K162-M261 HydrophobicContact CD-SD 3.93Å; K162-M261 HydrophobicContact CG-SD 3.94Å
163A96.6Very high95.9Very high0 Ų056.3 Ų56.30%030%0.298CS..EExtended strand (participates in β ladder)trans-109.4126.4-17900000111.3L151 V152 L228 L230L151-A163 CarbonylContact C-O 3.54Å; L151-A163 WeakPolarHBondContact CA-O 3.34Å; V152-A163 HydrophobicContact CG2-CB 4.19Å; V152-A163 PolarHBondContact N-O 2.82Å; V152-A163 PolarHBondContact O-N 3.42Å; A163-L228 CarbonylContact C-O 3.58Å; A163-L228 WeakPolarHBondContact CA-O 3.09Å; A163-L228 HydrophobicContact CB-CB 4.31Å; A163-L228 HydrophobicContact CB-CD2 4.16Å; A163-L228 HydrophobicContact CB-CG 4.33Å; A163-L230 HydrophobicContact CB-CD1 4.16Å; A163-L230 HydrophobicContact CB-CD2 4.36Å; A163-L230 HydrophobicContact CB-CG 3.98Å
164S96.5Very high96Very high7 Ų753.6 Ų53.65%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-82146.2168.160.10000110.9L150 L228 C229 L230L150-S164 CarbonylContact O-C 3.54Å; L150-S164 VanDerWaalsContact O-CA 3.32Å; L150-S164 WeakPolarHBondContact O-CA 3.27Å; S164-L228 PolarHBondContact N-O 3.36Å; S164-L228 PolarHBondContact OG-O 2.93Å; S164-C229 CarbonylContact O-C 3.56Å; S164-C229 WeakPolarHBondContact O-CA 3.25Å; S164-C229 WeakPolarHBondContact OG-CA 3.34Å; S164-C229 WeakPolarHBondContact OG-CB 3.34Å; S164-C229 PolarHBondContact OG-SG 2.89Å; S164-L230 PolarHBondContact O-N 3.43Å
165I97Very high95.9Very high19 Ų1953.4 Ų53.410%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-97.9121.8177-50.8-56.2000109.6L150 V152 L230 L235 V242 L249 F260L150-I165 HydrophobicContact CB-CB 4.17Å; L150-I165 HydrophobicContact CB-CG1 4.27Å; L150-I165 PolarHBondContact O-N 3.23Å; V152-I165 HydrophobicContact CG2-CD1 3.91Å; I165-L230 HydrophobicContact CD1-CB 4.35Å; I165-L230 HydrophobicContact CD1-CD1 3.84Å; I165-L230 HydrophobicContact CD1-CG 4.38Å; I165-L235 HydrophobicContact CD1-CD2 4.21Å; I165-L235 HydrophobicContact CG2-CD1 3.77Å; I165-L235 HydrophobicContact CG2-CD2 4.18Å; I165-V242 HydrophobicContact CG2-CG2 4.02Å; I165-L249 HydrophobicContact CD1-CD2 3.9Å; I165-F260 HydrophobicContact CG1-CE1 4.25Å
166N95.9Very high95.8Very high61 Ų6149.9 Ų49.933%0.32627%0.271SS..  trans-134.293.6178.9-173.4-9.1000111.5G168 S169 C229 L230N166-G168 PolarHBondContact O-N 2.98Å; N166-G168 WeakPolarHBondContact OD1-CA 3.39Å; N166-G168 PolarHBondContact OD1-N 2.61Å; N166-S169 PolarHBondContact O-N 2.67Å; N166-S169 PolarHBondContact OD1-N 3.18Å; N166-C229 WeakPolarHBondContact CB-SG 3.4Å; N166-L230 PolarHBondContact N-O 3.11Å
167T97Very high95.7Very high86 Ų8651.8 Ų51.853%0.52828%0.284SS..THydrogen-bonded Turntrans-69.2-13.4176.354.40000113.6L235T167-L235 HydrophobicContact CG2-CD1 4.07Å
168G96.4Very high95.8Very high68 Ų6849.7 Ų49.770%0.70127%0.27SS*.THydrogen-bonded Turntrans-84.6-13.3176.300000114.4N166N166-G168 PolarHBondContact O-N 2.98Å; N166-G168 WeakPolarHBondContact OD1-CA 3.39Å; N166-G168 PolarHBondContact OD1-N 2.61Å
169S95.3Very high95.9Very high14 Ų1443.6 Ų43.610%0.09824%0.238CC..  trans-98.4136.9174-174.50000110.3N166 H171 G231 L232N166-S169 PolarHBondContact O-N 2.67Å; N166-S169 PolarHBondContact OD1-N 3.18Å; S169-H171 PolarHBondContact OG-O 3.04Å; S169-G231 CarbonylContact O-C 3.5Å; S169-G231 WeakPolarHBondContact O-CA 3.33Å; S169-L232 WeakPolarHBondContact O-CB 3.24Å; S169-L232 PolarHBondContact O-N 3.23Å
170Q96.6Very high95.8Very high113 Ų11348.6 Ų48.653%0.52825%0.249SC..SBendtrans-71.7-45.6175-68.4-59.2-44.100112L232 Q233Q170-L232 PolarHBondContact O-N 3.05Å; Q170-Q233 VanDerWaalsContact O-CB 3.22Å; Q170-Q233 WeakPolarHBondContact O-CB 3.41Å; Q170-Q233 PolarHBondContact O-N 3.37Å
171H96.9Very high95.7Very high83 Ų8349 Ų4938%0.38425%0.246SC..SBendtrans-109.4159.4-174.5-54.7-57.1000111.9S169 H219 Q233S169-H171 PolarHBondContact OG-O 3.04Å; H171-H219 AromaticContact CD2-NE2 3.62Å; H171-H219 AromaticContact CG-NE2 3.75Å; H171-Q233 PolarHBondContact CE1-OE1 3.27Å; H171-Q233 PolarHBondContact ND1-OE1 3.31Å
172N97.5Very high95.6Very high2 Ų250.1 Ų50.11%0.01125%0.252CS..EExtended strand (participates in β ladder)trans-69.4153174.6-55.5-32.4000110.7C216 S217 A218 H219 C229 L230 G231 T234N172-C216 PolarHBondContact ND2-SG 3.05Å; N172-S217 WeakPolarHBondContact CB-O 3.25Å; N172-S217 PolarHBondContact ND2-O 3.41Å; N172-A218 HydrophobicContact CB-CB 3.77Å; N172-A218 WeakPolarHBondContact O-CA 3.5Å; N172-H219 PolarHBondContact O-N 3.25Å; N172-C229 CarbonylContact C-O 3.56Å; N172-C229 WeakPolarHBondContact CA-O 3.47Å; N172-C229 WeakPolarHBondContact CB-O 3.02Å; N172-L230 WeakPolarHBondContact OD1-CA 3.47Å; N172-G231 PolarHBondContact OD1-N 3.3Å; N172-T234 PolarHBondContact ND2-OG1 2.89Å; N172-T234 PolarHBondContact OD1-OG1 3.39Å
173R96.2Very high95.5Very high116 Ų11648.6 Ų48.644%0.43826%0.263SS..EExtended strand (participates in β ladder)trans-126.7138.6171.5-61.8-178.7179.3164.7-0.7109.9H219 T221 F226 L228 C229R173-H219 CarbonylContact C-O 3.57Å; R173-H219 VanDerWaalsContact CA-O 3.26Å; R173-H219 WeakPolarHBondContact CA-O 3.32Å; R173-T221 HydrophobicContact CB-CG2 4.25Å; R173-F226 HydrophobicContact CB-CE2 3.87Å; R173-F226 HydrophobicContact CB-CZ 4.06Å; R173-L228 CarbonylContact O-C 3.53Å; R173-L228 WeakPolarHBondContact O-CD1 3.39Å; R173-C229 HydrophobicContact CB-CB 4.17Å; R173-C229 PolarHBondContact N-O 3.03Å; R173-C229 PolarHBondContact O-N 3.47Å
174I96.3Very high95.3Very high1 Ų150 Ų501%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-125.5134.9176.9-173.5171.7000108.7C178 C179 L182 L184 A218 H219 V220 T221 L228I174-C178 HydrophobicContact CD1-CB 4.33Å; I174-C178 HydrophobicContact CG1-CB 3.92Å; I174-C179 HydrophobicContact CD1-CB 4.32Å; I174-C179 HydrophobicContact CG1-CB 4.47Å; I174-C179 HydrophobicContact CG2-CB 4.5Å; I174-L182 HydrophobicContact CD1-CD1 3.94Å; I174-L184 HydrophobicContact CD1-CD1 3.83Å; I174-A218 HydrophobicContact CB-CB 4.1Å; I174-A218 HydrophobicContact CG2-CB 3.83Å; I174-H219 PolarHBondContact N-O 2.87Å; I174-V220 HydrophobicContact CG2-CG2 4.06Å; I174-V220 CarbonylContact O-C 3.53Å; I174-V220 VanDerWaalsContact O-CA 3.32Å; I174-V220 WeakPolarHBondContact O-CA 3.42Å; I174-T221 PolarHBondContact O-N 2.85Å; I174-L228 HydrophobicContact CB-CD1 4.1Å; I174-L228 HydrophobicContact CG1-CD1 4.43Å
175S95.3Very high95Very high3 Ų355.3 Ų55.32%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-67.5151.2177.469.70000111.1S177 C178 C179 T221 D223 F226 E227S175-S177 PolarHBondContact O-N 3.49Å; S175-S177 PolarHBondContact OG-OG 2.83Å; S175-C178 PolarHBondContact O-N 2.91Å; S175-C178 VanDerWaalsContact OG-CB 3.23Å; S175-C178 WeakPolarHBondContact OG-CB 3.44Å; S175-C178 PolarHBondContact OG-N 3.46Å; S175-C178 VanDerWaalsContact OG-N 3.09Å; S175-C179 WeakPolarHBondContact O-CB 3.42Å; S175-C179 PolarHBondContact O-N 3.13Å; S175-T221 CarbonylContact C-O 3.55Å; S175-T221 WeakPolarHBondContact CA-O 3.45Å; S175-D223 WeakPolarHBondContact CB-O 3.24Å; S175-F226 VanDerWaalsContact CB-O 3.32Å; S175-F226 WeakPolarHBondContact CB-O 3.44Å; S175-F226 PolarHBondContact OG-O 3.47Å; S175-E227 PolarHBondContact N-O 3.21Å
176S93.6Very high94.7Very high14 Ų1457.1 Ų57.110%0.09832%0.315CS..Hα-helixtrans-59.2-36.5177.973.80000111.6R180 T221S176-R180 WeakPolarHBondContact O-CG 3.46Å; S176-R180 PolarHBondContact O-N 3.4Å; S176-R180 PolarHBondContact OG-NH2 3.18Å; S176-R180 VanDerWaalsContact OG-NH2 3.16Å; S176-T221 PolarHBondContact N-O 2.9Å
177S93.6Very high94.4Very high43 Ų4357.9 Ų57.930%0.30132%0.322SS..Hα-helixtrans-67.2-43.917543.50000112.5S175 R180 R181 E224S175-S177 PolarHBondContact O-N 3.49Å; S175-S177 PolarHBondContact OG-OG 2.83Å; S177-R180 PolarHBondContact O-N 3.49Å; S177-R181 WeakPolarHBondContact O-CB 3.48Å; S177-R181 PolarHBondContact O-N 2.87Å; S177-E224 WeakPolarHBondContact CB-OE1 3.17Å; S177-E224 PolarHBondContact OG-OE1 3.01Å
178C95.1Very high93.7Very high2 Ų257.1 Ų57.11%0.01431%0.312CS..Hα-helixtrans-65.8-41.5174.9-170.90000111.6I174 S175 R180 R181 L182 E227I174-C178 HydrophobicContact CD1-CB 4.33Å; I174-C178 HydrophobicContact CG1-CB 3.92Å; S175-C178 PolarHBondContact O-N 2.91Å; S175-C178 VanDerWaalsContact OG-CB 3.23Å; S175-C178 WeakPolarHBondContact OG-CB 3.44Å; S175-C178 PolarHBondContact OG-N 3.46Å; S175-C178 VanDerWaalsContact OG-N 3.09Å; C178-R180 PolarHBondContact O-N 3.38Å; C178-R181 PolarHBondContact O-N 3.46Å; C178-L182 WeakPolarHBondContact O-CB 3.43Å; C178-L182 VanDerWaalsContact O-CG 3.26Å; C178-L182 WeakPolarHBondContact O-CG 3.19Å; C178-L182 PolarHBondContact O-N 3.46Å; C178-E227 HydrophobicContact CB-CB 4.11Å; C178-E227 WeakPolarHBondContact CB-O 3.43Å
179C94.4Very high92.2Very high4 Ų460.5 Ų60.53%0.02731%0.31CS..Hα-helixtrans-56.9-49.2176-170.90000111.5I174 S175 L182 G183 L184I174-C179 HydrophobicContact CD1-CB 4.32Å; I174-C179 HydrophobicContact CG1-CB 4.47Å; I174-C179 HydrophobicContact CG2-CB 4.5Å; S175-C179 WeakPolarHBondContact O-CB 3.42Å; S175-C179 PolarHBondContact O-N 3.13Å; C179-L182 PolarHBondContact O-N 3.28Å; C179-G183 PolarHBondContact O-N 3.35Å; C179-L184 PolarHBondContact O-N 2.9Å; C179-L184 PolarHBondContact SG-O 3.5Å
180R93.3Very high90.8Very high167 Ų16762.1 Ų62.163%0.6333%0.329SS*.Hα-helixtrans-62.2-44.3175.7-74-174.1-67.8-97.4-2.8112.2S176 S177 C178 L182 G183S176-R180 WeakPolarHBondContact O-CG 3.46Å; S176-R180 PolarHBondContact O-N 3.4Å; S176-R180 PolarHBondContact OG-NH2 3.18Å; S176-R180 VanDerWaalsContact OG-NH2 3.16Å; S177-R180 PolarHBondContact O-N 3.49Å; C178-R180 PolarHBondContact O-N 3.38Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.76Å; R180-G183 PolarHBondContact O-N 2.84Å
181R94.7Very high89.1Confident131 Ų13160.9 Ų60.949%0.49433%0.33SS..Hα-helixtrans-60.3-37.2179.2-176.617865.7176.80.8112.4S177 C178 G183 E227S177-R181 WeakPolarHBondContact O-CB 3.48Å; S177-R181 PolarHBondContact O-N 2.87Å; C178-R181 PolarHBondContact O-N 3.46Å; R181-G183 VanDerWaalsContact C-N 3.25Å; R181-G183 PolarHBondContact O-N 2.92Å; R181-E227 IonicContact CZ-OE1 3.83Å; R181-E227 VanDerWaalsContact CZ-OE1 3.29Å; R181-E227 IonicContact CZ-OE2 2.84Å; R181-E227 IonicContact NH1-OE1 2.97Å; R181-E227 PolarHBondContact NH1-OE1 3.29Å; R181-E227 IonicContact NH2-OE1 3.99Å; R181-E227 PolarHBondContact NH2-OE1 3.45Å; R181-E227 IonicContact NH2-OE2 3.47Å; R181-E227 PolarHBondContact NH2-OE2 3.01Å
182L94.1Very high87.4Confident23 Ų2362.1 Ų62.112%0.1235%0.346CS..THydrogen-bonded Turntrans-81.60.2177.6-64.2178.1000113.4C156 T159 V161 I174 C178 C179 R180 L184C156-L182 HydrophobicContact CB-CD1 4Å; T159-L182 VanDerWaalsContact CB-CD2 3.42Å; T159-L182 HydrophobicContact CG2-CD2 3.63Å; V161-L182 HydrophobicContact CG2-CD1 4.21Å; V161-L182 HydrophobicContact CG2-CD2 4.1Å; I174-L182 HydrophobicContact CD1-CD1 3.94Å; C178-L182 WeakPolarHBondContact O-CB 3.43Å; C178-L182 VanDerWaalsContact O-CG 3.26Å; C178-L182 WeakPolarHBondContact O-CG 3.19Å; C178-L182 PolarHBondContact O-N 3.46Å; C179-L182 PolarHBondContact O-N 3.28Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.76Å; L182-L184 HydrophobicContact CB-CD1 3.72Å; L182-L184 HydrophobicContact CB-CG 3.69Å; L182-L184 HydrophobicContact CD1-CD1 3.76Å; L182-L184 HydrophobicContact CG-CD1 4.4Å; L182-L184 PolarHBondContact O-N 3.31Å
183G92.8Very high85.5Confident63 Ų6367.9 Ų67.965%0.64939%0.385SS*.THydrogen-bonded Turntrans65.422.8-177.400000113.7C179 R180 R181C179-G183 PolarHBondContact O-N 3.35Å; R180-G183 PolarHBondContact O-N 2.84Å; R181-G183 VanDerWaalsContact C-N 3.25Å; R181-G183 PolarHBondContact O-N 2.92Å
184L92.1Very high83.7Confident30 Ų3070.1 Ų70.116%0.15740%0.4CS..  trans-83135.8-177.3-62.4169.8000110.5I174 C179 L182 P186 V202 L205I174-L184 HydrophobicContact CD1-CD1 3.83Å; C179-L184 PolarHBondContact O-N 2.9Å; C179-L184 PolarHBondContact SG-O 3.5Å; L182-L184 HydrophobicContact CB-CD1 3.72Å; L182-L184 HydrophobicContact CB-CG 3.69Å; L182-L184 HydrophobicContact CD1-CD1 3.76Å; L182-L184 HydrophobicContact CG-CD1 4.4Å; L182-L184 PolarHBondContact O-N 3.31Å; L184-P186 WeakPolarHBondContact O-CD 3.38Å; L184-V202 HydrophobicContact CB-CG1 4.15Å; L184-V202 HydrophobicContact CB-CG2 4.25Å; L184-V202 HydrophobicContact CD1-CG1 4.38Å; L184-V202 HydrophobicContact CD2-CG1 4.19Å; L184-V202 HydrophobicContact CG-CG1 4.46Å; L184-L205 HydrophobicContact CD1-CD2 3.49Å; L184-L205 VanDerWaalsContact CD1-CD2 3.49Å; L184-L205 HydrophobicContact CD2-CD2 3.77Å; L184-L205 HydrophobicContact CG-CD2 4.24Å
185V90.4Very high82Confident119 Ų11975 Ų7572%0.72142%0.423SS*.  trans-102.1108.6177.8-175.80000108.9
186P91.2Very high80.3Confident56 Ų5678.5 Ų78.536%0.36445%0.445SS..PPolyproline II helixtrans-67.2136175.925-30000110.7L184 V202 V220L184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-V202 HydrophobicContact CB-CG2 4.21Å; P186-V220 HydrophobicContact CB-CG2 3.75Å; P186-V220 HydrophobicContact CG-CG2 4.37Å
187T89.2Confident78.6Confident78 Ų7886.3 Ų86.348%0.47948%0.48SS..BIsolated β-bridgetrans-94.4124.7170.9-54.70000108.2S201T187-S201 PolarHBondContact N-O 3.24Å; T187-S201 PolarHBondContact O-N 3.31Å
188Q82.1Confident77.1Confident69 Ų6985.8 Ų85.832%0.32248%0.481SS..PPolyproline II helixtrans-86.1123.4167.9-85.1-175.718.700109.6T196 Q199Q188-T196 PolarHBondContact NE2-O 2.89Å; Q188-Q199 WeakPolarHBondContact CG-O 3.31Å; Q188-Q199 PolarHBondContact NE2-O 3.19Å
189E65.1Low76.1Confident140 Ų14091.4 Ų91.465%0.65451%0.507SS*.  trans-96.198.5169.3-68.2-178.3-163.400107.3R203E189-R203 IonicContact OE1-CZ 3.21Å; E189-R203 IonicContact OE1-NE 3.56Å; E189-R203 PolarHBondContact OE1-NE 3.48Å; E189-R203 IonicContact OE1-NH2 2.71Å; E189-R203 PolarHBondContact OE1-NH2 2.98Å; E189-R203 IonicContact OE2-NH2 3.54Å
190G65.9Low75.8Confident47 Ų4792.1 Ų92.149%0.48552%0.515SS..SBendtrans163.8163178.900000114.4
191P61.8Low75.8Confident87 Ų8784.5 Ų84.557%0.56549%0.487SS*.  trans-65.5148.4178.126-31.8000111.9C193P191-C193 PolarHBondContact O-N 3.3Å
192P61.1Low75.8Confident109 Ų10978.5 Ų78.571%0.70847%0.465SS*.G310 helixtrans-59.4-13.8-175.2-24.433.1000116.5Q195P192-Q195 WeakPolarHBondContact O-CG 3.41Å
193C57.7Low75.8Confident124 Ų12483.1 Ų83.184%0.83848%0.481SS*.G310 helixtrans-83.1-13.7-169.4-161.60000114.1P191P191-C193 PolarHBondContact O-N 3.3Å
194E59.1Low75.8Confident162 Ų16282 Ų8276%0.75747%0.47SS*.G310 helixtrans-122.417.1-176.6-61.7-175156.600112.5T196E194-T196 PolarHBondContact O-N 3.16Å
195Q60.3Low76Confident103 Ų10380.8 Ų80.848%0.48146%0.463SS..  trans-71100.6-176.5-59.5-166.9-27.500109.9P192P192-Q195 WeakPolarHBondContact O-CG 3.41Å
196T58.9Low76.3Confident78 Ų7880.4 Ų80.448%0.47945%0.454SS..  trans-79.9124.4166.6-53.30000107.7Q188 E194 G198 Q199Q188-T196 PolarHBondContact NE2-O 2.89Å; E194-T196 PolarHBondContact O-N 3.16Å; T196-G198 PolarHBondContact O-N 3.38Å; T196-Q199 PolarHBondContact O-N 3.48Å
197E59Low76.5Confident177 Ų17777.8 Ų77.883%0.82744%0.437SS*.THydrogen-bonded Turntrans-54.3130.5173.7-60.7-167.9141.400109
198G61Low76.9Confident32 Ų3276.8 Ų76.833%0.3343%0.426SS..THydrogen-bonded Turntrans95.3-10.9-179.500000116.3T196 V220T196-G198 PolarHBondContact O-N 3.38Å; G198-V220 WeakPolarHBondContact O-CG1 3.38Å
199Q74.5Confident77.5Confident121 Ų12173.5 Ų73.557%0.56541%0.411SS*.  trans-94.7137.2172.3-69.8-172.4-16.400111.6Q188 T196Q188-Q199 WeakPolarHBondContact CG-O 3.31Å; Q188-Q199 PolarHBondContact NE2-O 3.19Å; T196-Q199 PolarHBondContact O-N 3.48Å
200G88.5Confident78.8Confident18 Ų1868 Ų6819%0.18639%0.393CS..EExtended strand (participates in β ladder)trans168177.4178.800000112.1V220G200-V220 PolarHBondContact O-N 3.49Å
201S93.3Very high80Confident7 Ų773.8 Ų73.85%0.04940%0.4CS..EExtended strand (participates in β ladder)trans-125.7141.9172.472.10000110.9T187 A218T187-S201 PolarHBondContact N-O 3.24Å; T187-S201 PolarHBondContact O-N 3.31Å; S201-A218 CarbonylContact C-O 3.54Å; S201-A218 WeakPolarHBondContact CA-O 3.47Å
202V94.9Very high81.6Confident6 Ų671.1 Ų71.14%0.03638%0.38CS..EExtended strand (participates in β ladder)trans-100.1125170.5-171.50000107.5L184 P186 L205 S217 A218 V220L184-V202 HydrophobicContact CB-CG1 4.15Å; L184-V202 HydrophobicContact CB-CG2 4.25Å; L184-V202 HydrophobicContact CD1-CG1 4.38Å; L184-V202 HydrophobicContact CD2-CG1 4.19Å; L184-V202 HydrophobicContact CG-CG1 4.46Å; P186-V202 HydrophobicContact CB-CG2 4.21Å; V202-L205 HydrophobicContact CB-CD1 4.28Å; V202-L205 HydrophobicContact CB-CD2 4.15Å; V202-L205 HydrophobicContact CB-CG 4.26Å; V202-L205 HydrophobicContact CG1-CD1 4.47Å; V202-L205 HydrophobicContact CG1-CD2 3.51Å; V202-L205 HydrophobicContact CG1-CG 3.93Å; V202-S217 CarbonylContact O-C 3.55Å; V202-S217 WeakPolarHBondContact O-CA 3.49Å; V202-S217 WeakPolarHBondContact O-CB 3.39Å; V202-A218 PolarHBondContact N-O 2.97Å; V202-A218 PolarHBondContact O-N 3.09Å; V202-V220 HydrophobicContact CG2-CG2 4.05Å
203R93.9Very high83.2Confident120 Ų12069.3 Ų69.345%0.45337%0.37SS..EExtended strand (participates in β ladder)trans-100.3157.2177.2-58.3-64.3-171.4-164.2-0.7110.1E189 L205 S217E189-R203 IonicContact OE1-CZ 3.21Å; E189-R203 IonicContact OE1-NE 3.56Å; E189-R203 PolarHBondContact OE1-NE 3.48Å; E189-R203 IonicContact OE1-NH2 2.71Å; E189-R203 PolarHBondContact OE1-NH2 2.98Å; E189-R203 IonicContact OE2-NH2 3.54Å; R203-L205 VanDerWaalsContact C-N 3.31Å; R203-L205 PolarHBondContact O-N 3.44Å; R203-S217 PolarHBondContact NH1-OG 3.22Å
204G92.1Very high85Confident40 Ų4064 Ų6441%0.41233%0.333SS..EExtended strand (participates in β ladder)trans70.223.5171.500000115Q206 C216G204-Q206 PolarHBondContact O-N 3.38Å; G204-C216 PolarHBondContact N-O 3.24Å
205L95.1Very high86.8Confident4 Ų463.1 Ų63.12%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-63.7121.2176.6-66.8172.8000110.2L184 V202 R203 L207 Q215 C216 A218L184-L205 HydrophobicContact CD1-CD2 3.49Å; L184-L205 VanDerWaalsContact CD1-CD2 3.49Å; L184-L205 HydrophobicContact CD2-CD2 3.77Å; L184-L205 HydrophobicContact CG-CD2 4.24Å; V202-L205 HydrophobicContact CB-CD1 4.28Å; V202-L205 HydrophobicContact CB-CD2 4.15Å; V202-L205 HydrophobicContact CB-CG 4.26Å; V202-L205 HydrophobicContact CG1-CD1 4.47Å; V202-L205 HydrophobicContact CG1-CD2 3.51Å; V202-L205 HydrophobicContact CG1-CG 3.93Å; R203-L205 VanDerWaalsContact C-N 3.31Å; R203-L205 PolarHBondContact O-N 3.44Å; L205-L207 PolarHBondContact O-N 2.95Å; L205-Q215 CarbonylContact O-C 3.57Å; L205-Q215 WeakPolarHBondContact O-CA 3.39Å; L205-C216 WeakPolarHBondContact CB-O 3.48Å; L205-C216 PolarHBondContact N-O 2.79Å; L205-C216 PolarHBondContact O-N 2.99Å; L205-A218 HydrophobicContact CD1-CB 3.48Å; L205-A218 VanDerWaalsContact CD1-CB 3.48Å
206Q96.7Very high88.5Confident110 Ų11058.9 Ų58.951%0.51431%0.311SS..EExtended strand (participates in β ladder)trans-85.4100.8173-172.1170.9-2.100109.1C156 C157 G204C156-Q206 WeakPolarHBondContact CA-O 3.37Å; C157-Q206 PolarHBondContact N-O 2.78Å; G204-Q206 PolarHBondContact O-N 3.38Å
207L97Very high90.3Very high2 Ų256.2 Ų56.21%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-101128.2179-178.471.6000109.3C154 K155 L205 L209 S213 V214 L228 L230 T234C154-L207 HydrophobicContact CB-CD1 4.14Å; K155-L207 CarbonylContact O-C 3.55Å; K155-L207 WeakPolarHBondContact O-CA 3.33Å; L205-L207 PolarHBondContact O-N 2.95Å; L207-L209 HydrophobicContact CD1-CD1 4.07Å; L207-L209 HydrophobicContact CD2-CD1 3.78Å; L207-L209 HydrophobicContact CG-CD1 3.79Å; L207-S213 CarbonylContact O-C 3.55Å; L207-S213 VanDerWaalsContact O-CA 3.3Å; L207-S213 WeakPolarHBondContact O-CA 3.3Å; L207-V214 HydrophobicContact CB-CG1 3.99Å; L207-V214 HydrophobicContact CD2-CG1 4.17Å; L207-V214 HydrophobicContact CG-CG1 4.44Å; L207-V214 PolarHBondContact N-O 2.88Å; L207-V214 PolarHBondContact O-N 2.81Å; L207-L228 HydrophobicContact CD1-CD2 3.79Å; L207-L230 HydrophobicContact CD2-CD2 3.59Å; L207-T234 HydrophobicContact CD2-CG2 3.89Å
208Q96.5Very high92.1Very high56 Ų5647.8 Ų47.826%0.26226%0.256SS..EExtended strand (participates in β ladder)trans-116.2120.8173.1-179.2-178-7.200110.3C154 K155 G210 Q212C154-Q208 WeakPolarHBondContact CA-O 3.44Å; C154-Q208 WeakPolarHBondContact CB-O 3.23Å; K155-Q208 HydrophobicContact CB-CB 4.23Å; K155-Q208 PolarHBondContact N-O 3.48Å; K155-Q208 PolarHBondContact O-N 3.04Å; Q208-G210 WeakPolarHBondContact CG-O 3.45Å; Q208-G210 PolarHBondContact NE2-O 2.99Å; Q208-Q212 CarbonylContact C-O 3.53Å; Q208-Q212 VanDerWaalsContact CA-O 3.24Å; Q208-Q212 WeakPolarHBondContact CA-O 3.48Å; Q208-Q212 WeakPolarHBondContact CG-O 3.37Å
209L95.3Very high93.8Very high0 Ų049.8 Ų49.80%026%0.256CS..EExtended strand (participates in β ladder)trans-112.8116170.3-102.278.6000108.1V152 C154 L207 R211 Q212 L230 L238 L249 L251 L258V152-L209 HydrophobicContact CG2-CD2 4.48Å; C154-L209 HydrophobicContact CB-CD1 3.47Å; C154-L209 VanDerWaalsContact CB-CD1 3.47Å; C154-L209 HydrophobicContact CB-CG 4.09Å; L207-L209 HydrophobicContact CD1-CD1 4.07Å; L207-L209 HydrophobicContact CD2-CD1 3.78Å; L207-L209 HydrophobicContact CG-CD1 3.79Å; L209-R211 PolarHBondContact O-N 3.3Å; L209-Q212 PolarHBondContact N-O 3.06Å; L209-Q212 PolarHBondContact O-N 3.5Å; L209-L230 HydrophobicContact CD1-CD1 4.01Å; L209-L230 HydrophobicContact CD2-CD1 4.04Å; L209-L238 HydrophobicContact CB-CD1 4.4Å; L209-L238 HydrophobicContact CD1-CD1 4.49Å; L209-L238 HydrophobicContact CD2-CD1 4.31Å; L209-L249 HydrophobicContact CD2-CD2 3.58Å; L209-L251 HydrophobicContact CB-CD1 4.03Å; L209-L251 HydrophobicContact CB-CD2 4.26Å; L209-L251 HydrophobicContact CD2-CD2 4.07Å; L209-L251 WeakPolarHBondContact O-CD1 3.36Å; L209-L258 HydrophobicContact CB-CD1 4.04Å; L209-L258 HydrophobicContact CD2-CD1 4.05Å; L209-L258 HydrophobicContact CG-CD1 3.99Å
210G92.3Very high94.8Very high26 Ų2644.8 Ų44.827%0.26823%0.234SC..THydrogen-bonded Turntrans58.4-122.6-172.200000111.1Q208Q208-G210 WeakPolarHBondContact CG-O 3.45Å; Q208-G210 PolarHBondContact NE2-O 2.99Å
211R91.8Very high95Very high168 Ų16845.7 Ų45.763%0.63424%0.236SC*.THydrogen-bonded Turntrans-93.3-7.3173.6-61.9-178.2-57.4-101.611.2114.1L209 S254 E256L209-R211 PolarHBondContact O-N 3.3Å; R211-S254 PolarHBondContact NH2-O 2.83Å; R211-S254 VanDerWaalsContact NH2-O 3.15Å; R211-E256 VanDerWaalsContact CB-OE2 3.23Å; R211-E256 WeakPolarHBondContact CB-OE2 3.16Å; R211-E256 WeakPolarHBondContact CG-OE1 3.21Å; R211-E256 WeakPolarHBondContact CG-OE2 3.46Å; R211-E256 IonicContact CZ-OE1 2.98Å; R211-E256 IonicContact CZ-OE2 2.67Å; R211-E256 PolarHBondContact N-OE2 3.42Å; R211-E256 IonicContact NE-OE1 3.78Å; R211-E256 IonicContact NE-OE2 3.98Å; R211-E256 VanDerWaalsContact NH1-CG 3.33Å; R211-E256 IonicContact NH1-OE1 3.55Å; R211-E256 PolarHBondContact NH1-OE1 3.31Å; R211-E256 IonicContact NH1-OE2 3.57Å; R211-E256 VanDerWaalsContact NH2-CG 3.31Å
212Q93.9Very high94.8Very high31 Ų3151.4 Ų51.415%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-88.3139179-69.1-174.634.400111.1Q208 L209 L238 L251 S254Q208-Q212 CarbonylContact C-O 3.53Å; Q208-Q212 VanDerWaalsContact CA-O 3.24Å; Q208-Q212 WeakPolarHBondContact CA-O 3.48Å; Q208-Q212 WeakPolarHBondContact CG-O 3.37Å; L209-Q212 PolarHBondContact N-O 3.06Å; L209-Q212 PolarHBondContact O-N 3.5Å; Q212-L238 HydrophobicContact CB-CD2 4.09Å; Q212-L238 PolarHBondContact OE1-O 3.16Å; Q212-L251 PolarHBondContact NE2-O 2.83Å; Q212-S254 PolarHBondContact NE2-OG 2.76Å
213S94.7Very high94.1Very high71 Ų7154.7 Ų54.750%0.49728%0.279SS..EExtended strand (participates in β ladder)trans-123137.7175.4-620000109.9L207L207-S213 CarbonylContact O-C 3.55Å; L207-S213 VanDerWaalsContact O-CA 3.3Å; L207-S213 WeakPolarHBondContact O-CA 3.3Å
214V95.6Very high93.4Very high11 Ų1155.2 Ų55.27%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-135.7142.6179.464.60000109.8L207 T234 E237 L238L207-V214 HydrophobicContact CB-CG1 3.99Å; L207-V214 HydrophobicContact CD2-CG1 4.17Å; L207-V214 HydrophobicContact CG-CG1 4.44Å; L207-V214 PolarHBondContact N-O 2.88Å; L207-V214 PolarHBondContact O-N 2.81Å; V214-T234 HydrophobicContact CG1-CG2 3.99Å; V214-E237 HydrophobicContact CG2-CB 4.49Å; V214-E237 HydrophobicContact CG2-CG 3.75Å; V214-E237 VanDerWaalsContact CG2-OE1 3.26Å; V214-E237 WeakPolarHBondContact CG2-OE1 3.16Å; V214-E237 WeakPolarHBondContact CG2-OE2 3.38Å; V214-L238 HydrophobicContact CB-CD2 3.74Å; V214-L238 HydrophobicContact CB-CG 4.25Å; V214-L238 HydrophobicContact CG1-CD1 3.91Å; V214-L238 HydrophobicContact CG1-CD2 3.78Å; V214-L238 HydrophobicContact CG1-CG 3.93Å
215Q97.3Very high93Very high144 Ų14458.7 Ų58.767%0.67330%0.3SS*.EExtended strand (participates in β ladder)trans-95.2117.1172.5-167.5177.617.800109L205L205-Q215 CarbonylContact O-C 3.57Å; L205-Q215 WeakPolarHBondContact O-CA 3.39Å
216C96.6Very high92.5Very high15 Ų1560.3 Ų60.310%0.10131%0.307CS..EExtended strand (participates in β ladder)trans-132.3-177.8-173.965.90000112.3N172 G204 L205 T234N172-C216 PolarHBondContact ND2-SG 3.05Å; G204-C216 PolarHBondContact N-O 3.24Å; L205-C216 WeakPolarHBondContact CB-O 3.48Å; L205-C216 PolarHBondContact N-O 2.79Å; L205-C216 PolarHBondContact O-N 2.99Å; C216-T234 HydrophobicContact CB-CG2 4.43Å
217S96.8Very high92.4Very high22 Ų2257.7 Ų57.715%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-128.5156.1171.964.30000110.6N172 V202 R203N172-S217 WeakPolarHBondContact CB-O 3.25Å; N172-S217 PolarHBondContact ND2-O 3.41Å; V202-S217 CarbonylContact O-C 3.55Å; V202-S217 WeakPolarHBondContact O-CA 3.49Å; V202-S217 WeakPolarHBondContact O-CB 3.39Å; R203-S217 PolarHBondContact NH1-OG 3.22Å
218A96.9Very high92.4Very high0 Ų057.8 Ų57.80%030%0.295CS..EExtended strand (participates in β ladder)trans-139.4142.9177.700000111.4N172 I174 S201 V202 L205N172-A218 HydrophobicContact CB-CB 3.77Å; N172-A218 WeakPolarHBondContact O-CA 3.5Å; I174-A218 HydrophobicContact CB-CB 4.1Å; I174-A218 HydrophobicContact CG2-CB 3.83Å; S201-A218 CarbonylContact C-O 3.54Å; S201-A218 WeakPolarHBondContact CA-O 3.47Å; V202-A218 PolarHBondContact N-O 2.97Å; V202-A218 PolarHBondContact O-N 3.09Å; L205-A218 HydrophobicContact CD1-CB 3.48Å; L205-A218 VanDerWaalsContact CD1-CB 3.48Å
219H95.8Very high92.4Very high73 Ų7355.4 Ų55.434%0.33829%0.285SS..EExtended strand (participates in β ladder)trans-83.3135171-64.6-88.6000110.1H171 N172 R173 I174H171-H219 AromaticContact CD2-NE2 3.62Å; H171-H219 AromaticContact CG-NE2 3.75Å; N172-H219 PolarHBondContact O-N 3.25Å; R173-H219 CarbonylContact C-O 3.57Å; R173-H219 VanDerWaalsContact CA-O 3.26Å; R173-H219 WeakPolarHBondContact CA-O 3.32Å; I174-H219 PolarHBondContact N-O 2.87Å
220V95.4Very high92.5Very high16 Ų1655.4 Ų55.410%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-77133.8175.4-173.70000109.4I174 P186 G198 G200 V202I174-V220 HydrophobicContact CG2-CG2 4.06Å; I174-V220 CarbonylContact O-C 3.53Å; I174-V220 VanDerWaalsContact O-CA 3.32Å; I174-V220 WeakPolarHBondContact O-CA 3.42Å; P186-V220 HydrophobicContact CB-CG2 3.75Å; P186-V220 HydrophobicContact CG-CG2 4.37Å; G198-V220 WeakPolarHBondContact O-CG1 3.38Å; G200-V220 PolarHBondContact O-N 3.49Å; V202-V220 HydrophobicContact CG2-CG2 4.05Å
221T92.8Very high92.8Very high37 Ų3754.1 Ų54.123%0.22727%0.272CS..EExtended strand (participates in β ladder)trans-127.6149.2175.6-1780000110.5R173 I174 S175 S176 D223 F226R173-T221 HydrophobicContact CB-CG2 4.25Å; I174-T221 PolarHBondContact O-N 2.85Å; S175-T221 CarbonylContact C-O 3.55Å; S175-T221 WeakPolarHBondContact CA-O 3.45Å; S176-T221 PolarHBondContact N-O 2.9Å; T221-D223 VanDerWaalsContact C-N 3.28Å; T221-D223 HydrophobicContact CG2-CB 4.34Å; T221-D223 PolarHBondContact OG1-N 2.77Å; T221-F226 HydrophobicContact CG2-CE2 4.02Å; T221-F226 HydrophobicContact CG2-CZ 3.91Å
222E89.3Confident93.1Very high128 Ų12848 Ų4860%0.59825%0.252SS*.SBendtrans-81.5-10.6174.1-63.6-175.4164.400113E224E222-E224 PolarHBondContact O-N 2.9Å
223D80.2Confident93.2Very high74 Ų7451 Ų5140%0.39627%0.265SS..  trans-65.3120.8176.7-172.91.7000110.7S175 T221 V225S175-D223 WeakPolarHBondContact CB-O 3.24Å; T221-D223 VanDerWaalsContact C-N 3.28Å; T221-D223 HydrophobicContact CG2-CB 4.34Å; T221-D223 PolarHBondContact OG1-N 2.77Å; D223-V225 VanDerWaalsContact OD1-CB 3.27Å; D223-V225 WeakPolarHBondContact OD1-CB 3.23Å; D223-V225 WeakPolarHBondContact OD1-CG2 3.4Å; D223-V225 PolarHBondContact OD1-N 3.37Å
224E80.3Confident93.4Very high131 Ų13147.8 Ų47.861%0.61224%0.243SC*.  trans-95.99.7179.4-57.3-148.8132.300113.3S177 E222 F226S177-E224 WeakPolarHBondContact CB-OE1 3.17Å; S177-E224 PolarHBondContact OG-OE1 3.01Å; E222-E224 PolarHBondContact O-N 2.9Å; E224-F226 PolarHBondContact O-N 2.75Å
225V82.9Confident93.4Very high114 Ų11447.7 Ų47.769%0.69124%0.242SC*.SBendtrans-61.7-26.2176.4171.30000112.3D223D223-V225 VanDerWaalsContact OD1-CB 3.27Å; D223-V225 WeakPolarHBondContact OD1-CB 3.23Å; D223-V225 WeakPolarHBondContact OD1-CG2 3.4Å; D223-V225 PolarHBondContact OD1-N 3.37Å
226F85.6Confident93.4Very high38 Ų3846.8 Ų46.817%0.16724%0.238CC..  trans-142.4156.1178.654.6-92.8000111.3R173 S175 T221 E224 C229R173-F226 HydrophobicContact CB-CE2 3.87Å; R173-F226 HydrophobicContact CB-CZ 4.06Å; S175-F226 VanDerWaalsContact CB-O 3.32Å; S175-F226 WeakPolarHBondContact CB-O 3.44Å; S175-F226 PolarHBondContact OG-O 3.47Å; T221-F226 HydrophobicContact CG2-CE2 4.02Å; T221-F226 HydrophobicContact CG2-CZ 3.91Å; E224-F226 PolarHBondContact O-N 2.75Å; F226-C229 HydrophobicContact CD2-CB 3.7Å; F226-C229 HydrophobicContact CE2-CB 3.52Å; F226-C229 HydrophobicContact CG-CB 4.31Å; F226-C229 HydrophobicContact CZ-CB 4Å
227E93.7Very high93.4Very high55 Ų5551.3 Ų51.326%0.25726%0.257SS..SBendtrans-79.9-50.8172.3-56.8-173.714700110.6V161 K162 S175 C178 R181V161-E227 HydrophobicContact CG1-CB 3.69Å; V161-E227 WeakPolarHBondContact CG1-OE2 3.24Å; K162-E227 PolarHBondContact N-OE2 2.71Å; S175-E227 PolarHBondContact N-O 3.21Å; C178-E227 HydrophobicContact CB-CB 4.11Å; C178-E227 WeakPolarHBondContact CB-O 3.43Å; R181-E227 IonicContact CZ-OE1 3.83Å; R181-E227 VanDerWaalsContact CZ-OE1 3.29Å; R181-E227 IonicContact CZ-OE2 2.84Å; R181-E227 IonicContact NH1-OE1 2.97Å; R181-E227 PolarHBondContact NH1-OE1 3.29Å; R181-E227 IonicContact NH2-OE1 3.99Å; R181-E227 PolarHBondContact NH2-OE1 3.45Å; R181-E227 IonicContact NH2-OE2 3.47Å; R181-E227 PolarHBondContact NH2-OE2 3.01Å
228L96.3Very high93.3Very high4 Ų450.5 Ų50.52%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-134.7146.8177.2-178.266.4000110V161 K162 A163 S164 R173 I174 L207 L230V161-L228 HydrophobicContact CG1-CB 3.79Å; K162-L228 PolarHBondContact O-N 2.86Å; A163-L228 CarbonylContact C-O 3.58Å; A163-L228 WeakPolarHBondContact CA-O 3.09Å; A163-L228 HydrophobicContact CB-CB 4.31Å; A163-L228 HydrophobicContact CB-CD2 4.16Å; A163-L228 HydrophobicContact CB-CG 4.33Å; S164-L228 PolarHBondContact N-O 3.36Å; S164-L228 PolarHBondContact OG-O 2.93Å; R173-L228 CarbonylContact O-C 3.53Å; R173-L228 WeakPolarHBondContact O-CD1 3.39Å; I174-L228 HydrophobicContact CB-CD1 4.1Å; I174-L228 HydrophobicContact CG1-CD1 4.43Å; L207-L228 HydrophobicContact CD1-CD2 3.79Å; L228-L230 HydrophobicContact CD2-CD2 3.94Å; L228-L230 HydrophobicContact CG-CD2 4.15Å
229C96.8Very high93.3Very high5 Ų556.7 Ų56.73%0.03428%0.278CS..EExtended strand (participates in β ladder)trans-129.3120.3174.3-172.30000109.1S164 N166 N172 R173 F226S164-C229 CarbonylContact O-C 3.56Å; S164-C229 WeakPolarHBondContact O-CA 3.25Å; S164-C229 WeakPolarHBondContact OG-CA 3.34Å; S164-C229 WeakPolarHBondContact OG-CB 3.34Å; S164-C229 PolarHBondContact OG-SG 2.89Å; N166-C229 WeakPolarHBondContact CB-SG 3.4Å; N172-C229 CarbonylContact C-O 3.56Å; N172-C229 WeakPolarHBondContact CA-O 3.47Å; N172-C229 WeakPolarHBondContact CB-O 3.02Å; R173-C229 HydrophobicContact CB-CB 4.17Å; R173-C229 PolarHBondContact N-O 3.03Å; R173-C229 PolarHBondContact O-N 3.47Å; F226-C229 HydrophobicContact CD2-CB 3.7Å; F226-C229 HydrophobicContact CE2-CB 3.52Å; F226-C229 HydrophobicContact CG-CB 4.31Å; F226-C229 HydrophobicContact CZ-CB 4Å
230L97.6Very high93.3Very high0 Ų054.6 Ų54.60%027%0.271CS..EExtended strand (participates in β ladder)trans-85.2118.7178.3-55.4-176.3000109.6A163 S164 I165 N166 N172 L207 L209 L228 L235A163-L230 HydrophobicContact CB-CD1 4.16Å; A163-L230 HydrophobicContact CB-CD2 4.36Å; A163-L230 HydrophobicContact CB-CG 3.98Å; S164-L230 PolarHBondContact O-N 3.43Å; I165-L230 HydrophobicContact CD1-CB 4.35Å; I165-L230 HydrophobicContact CD1-CD1 3.84Å; I165-L230 HydrophobicContact CD1-CG 4.38Å; N166-L230 PolarHBondContact N-O 3.11Å; N172-L230 WeakPolarHBondContact OD1-CA 3.47Å; L207-L230 HydrophobicContact CD2-CD2 3.59Å; L209-L230 HydrophobicContact CD1-CD1 4.01Å; L209-L230 HydrophobicContact CD2-CD1 4.04Å; L228-L230 HydrophobicContact CD2-CD2 3.94Å; L228-L230 HydrophobicContact CG-CD2 4.15Å; L230-L235 HydrophobicContact CB-CD2 4.06Å; L230-L235 HydrophobicContact CB-CG 4.27Å; L230-L235 HydrophobicContact CD1-CD2 4.31Å
231G97.8Very high93.4Very high0 Ų057.2 Ų57.20%029%0.289CS..  trans-84.2168173.600000112.3S169 N172 Q233 T234 L235S169-G231 CarbonylContact O-C 3.5Å; S169-G231 WeakPolarHBondContact O-CA 3.33Å; N172-G231 PolarHBondContact OD1-N 3.3Å; G231-Q233 VanDerWaalsContact C-N 3.27Å; G231-Q233 PolarHBondContact O-N 3.06Å; G231-T234 PolarHBondContact O-N 2.98Å; G231-L235 VanDerWaalsContact O-CG 3.3Å; G231-L235 WeakPolarHBondContact O-CG 3.37Å; G231-L235 PolarHBondContact O-N 2.83Å; G231-L235 VanDerWaalsContact O-N 3.16Å
232L97.9Very high93.6Very high40 Ų4057.8 Ų57.821%0.20929%0.293CS..Hα-helixtrans-55.3-38.9-176.6-172.864.2000113S169 Q170 T234 L235 Q236S169-L232 WeakPolarHBondContact O-CB 3.24Å; S169-L232 PolarHBondContact O-N 3.23Å; Q170-L232 PolarHBondContact O-N 3.05Å; L232-T234 PolarHBondContact O-N 3.06Å; L232-L235 PolarHBondContact O-N 2.87Å; L232-Q236 HydrophobicContact CD1-CG 4.22Å; L232-Q236 HydrophobicContact CG-CG 4.28Å; L232-Q236 WeakPolarHBondContact O-CB 3.22Å; L232-Q236 VanDerWaalsContact O-CG 3.31Å; L232-Q236 WeakPolarHBondContact O-CG 3.26Å; L232-Q236 PolarHBondContact O-N 3.5Å
233Q97.4Very high93.9Very high93 Ų9353.3 Ų53.344%0.43527%0.273SS..Hα-helixtrans-57.7-51.5-179.4-177.6-179.1-10.900112Q170 H171 G231 Q236 E237Q170-Q233 VanDerWaalsContact O-CB 3.22Å; Q170-Q233 WeakPolarHBondContact O-CB 3.41Å; Q170-Q233 PolarHBondContact O-N 3.37Å; H171-Q233 PolarHBondContact CE1-OE1 3.27Å; H171-Q233 PolarHBondContact ND1-OE1 3.31Å; G231-Q233 VanDerWaalsContact C-N 3.27Å; G231-Q233 PolarHBondContact O-N 3.06Å; Q233-Q236 PolarHBondContact O-N 2.77Å; Q233-E237 PolarHBondContact O-N 2.82Å
234T97.5Very high94.6Very high4 Ų454.9 Ų54.93%0.02528%0.281CS..Hα-helixtrans-70.1-35.1179.6-63.20000111.9N172 L207 V214 C216 G231 L232 Q236 E237 L238N172-T234 PolarHBondContact ND2-OG1 2.89Å; N172-T234 PolarHBondContact OD1-OG1 3.39Å; L207-T234 HydrophobicContact CD2-CG2 3.89Å; V214-T234 HydrophobicContact CG1-CG2 3.99Å; C216-T234 HydrophobicContact CB-CG2 4.43Å; G231-T234 PolarHBondContact O-N 2.98Å; L232-T234 PolarHBondContact O-N 3.06Å; T234-Q236 VanDerWaalsContact C-N 3.33Å; T234-Q236 PolarHBondContact O-N 2.91Å; T234-E237 PolarHBondContact O-N 3.33Å; T234-L238 HydrophobicContact CG2-CD1 4.08Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 WeakPolarHBondContact O-CG 3.4Å; T234-L238 PolarHBondContact O-N 2.87Å
235L97.6Very high95.3Very high8 Ų854.4 Ų54.44%0.04229%0.292CS..Hα-helixtrans-63.5-38.6175.2-65.4171.1000112.1I165 T167 L230 G231 L232 K239 C240I165-L235 HydrophobicContact CD1-CD2 4.21Å; I165-L235 HydrophobicContact CG2-CD1 3.77Å; I165-L235 HydrophobicContact CG2-CD2 4.18Å; T167-L235 HydrophobicContact CG2-CD1 4.07Å; L230-L235 HydrophobicContact CB-CD2 4.06Å; L230-L235 HydrophobicContact CB-CG 4.27Å; L230-L235 HydrophobicContact CD1-CD2 4.31Å; G231-L235 VanDerWaalsContact O-CG 3.3Å; G231-L235 WeakPolarHBondContact O-CG 3.37Å; G231-L235 PolarHBondContact O-N 2.83Å; G231-L235 VanDerWaalsContact O-N 3.16Å; L232-L235 PolarHBondContact O-N 2.87Å; L235-K239 PolarHBondContact O-N 3.18Å; L235-C240 HydrophobicContact CB-CB 4.29Å; L235-C240 HydrophobicContact CD2-CB 4.07Å; L235-C240 WeakPolarHBondContact O-CB 3.32Å; L235-C240 PolarHBondContact O-N 3.25Å
236Q96.9Very high95.8Very high126 Ų12651.6 Ų51.659%0.58928%0.277SS*.Hα-helixtrans-69.8-41.6175.6-73.9179.45.200112L232 Q233 T234 L238 K239L232-Q236 HydrophobicContact CD1-CG 4.22Å; L232-Q236 HydrophobicContact CG-CG 4.28Å; L232-Q236 WeakPolarHBondContact O-CB 3.22Å; L232-Q236 VanDerWaalsContact O-CG 3.31Å; L232-Q236 WeakPolarHBondContact O-CG 3.26Å; L232-Q236 PolarHBondContact O-N 3.5Å; Q233-Q236 PolarHBondContact O-N 2.77Å; T234-Q236 VanDerWaalsContact C-N 3.33Å; T234-Q236 PolarHBondContact O-N 2.91Å; Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 2.91Å; Q236-K239 WeakPolarHBondContact O-CA 3.37Å; Q236-K239 PolarHBondContact O-N 3.3Å
237E95.9Very high96.3Very high109 Ų10954.9 Ų54.951%0.50929%0.289SS..Hα-helixtrans-60.4-42.3178.1-173.2171.1-174.800112V214 Q233 T234 K239V214-E237 HydrophobicContact CG2-CB 4.49Å; V214-E237 HydrophobicContact CG2-CG 3.75Å; V214-E237 VanDerWaalsContact CG2-OE1 3.26Å; V214-E237 WeakPolarHBondContact CG2-OE1 3.16Å; V214-E237 WeakPolarHBondContact CG2-OE2 3.38Å; Q233-E237 PolarHBondContact O-N 2.82Å; T234-E237 PolarHBondContact O-N 3.33Å; E237-K239 PolarHBondContact O-N 2.84Å
238L95Very high96.4Very high6 Ų653 Ų533%0.03128%0.281CS..THydrogen-bonded Turntrans-78.4-2.6174.4-68.4175.3000113.8L209 Q212 V214 T234 Q236 C240L209-L238 HydrophobicContact CB-CD1 4.4Å; L209-L238 HydrophobicContact CD1-CD1 4.49Å; L209-L238 HydrophobicContact CD2-CD1 4.31Å; Q212-L238 HydrophobicContact CB-CD2 4.09Å; Q212-L238 PolarHBondContact OE1-O 3.16Å; V214-L238 HydrophobicContact CB-CD2 3.74Å; V214-L238 HydrophobicContact CB-CG 4.25Å; V214-L238 HydrophobicContact CG1-CD1 3.91Å; V214-L238 HydrophobicContact CG1-CD2 3.78Å; V214-L238 HydrophobicContact CG1-CG 3.93Å; T234-L238 HydrophobicContact CG2-CD1 4.08Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 WeakPolarHBondContact O-CG 3.4Å; T234-L238 PolarHBondContact O-N 2.87Å; Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 2.91Å; L238-C240 VanDerWaalsContact C-N 3.26Å; L238-C240 PolarHBondContact O-N 2.96Å
239K95.7Very high96.5Very high130 Ų13052.8 Ų52.857%0.56528%0.28SS*.THydrogen-bonded Turntrans49.648.7-175-58.8179.2-179.4175.80111.8L235 Q236 E237 Q252L235-K239 PolarHBondContact O-N 3.18Å; Q236-K239 WeakPolarHBondContact O-CA 3.37Å; Q236-K239 PolarHBondContact O-N 3.3Å; E237-K239 PolarHBondContact O-N 2.84Å; K239-Q252 HydrophobicContact CB-CB 3.83Å; K239-Q252 VanDerWaalsContact O-CB 3.25Å; K239-Q252 WeakPolarHBondContact O-CB 3.26Å; K239-Q252 PolarHBondContact O-N 3.46Å
240C96.8Very high96.5Very high29 Ų2955.6 Ų55.620%0.19629%0.291CS..EExtended strand (participates in β ladder)trans-71.1138.9179.8-69.20000111.3L235 L238 L249 K250L235-C240 HydrophobicContact CB-CB 4.29Å; L235-C240 HydrophobicContact CD2-CB 4.07Å; L235-C240 WeakPolarHBondContact O-CB 3.32Å; L235-C240 PolarHBondContact O-N 3.25Å; L238-C240 VanDerWaalsContact C-N 3.26Å; L238-C240 PolarHBondContact O-N 2.96Å; C240-L249 HydrophobicContact CB-CD1 3.88Å; C240-L249 HydrophobicContact CB-CG 4.38Å; C240-K250 CarbonylContact C-O 3.43Å; C240-K250 VanDerWaalsContact CA-O 3.29Å; C240-K250 WeakPolarHBondContact CA-O 3.34Å
241C97Very high96.4Very high70 Ų7055.7 Ų55.747%0.47329%0.292SS..EExtended strand (participates in β ladder)trans-115122.8165179.50000109.3D243 K250C241-D243 PolarHBondContact O-N 2.97Å; C241-K250 HydrophobicContact CB-CB 4.17Å; C241-K250 PolarHBondContact N-O 3.18Å; C241-K250 PolarHBondContact O-N 3.02Å
242V97.1Very high95.9Very high50 Ų5062.8 Ų62.830%0.30333%0.325SS..EExtended strand (participates in β ladder)trans-88.6100.2178.1-178.90000108L150 I165 L244 L249 F260L150-V242 HydrophobicContact CD1-CG1 3.77Å; I165-V242 HydrophobicContact CG2-CG2 4.02Å; V242-L244 HydrophobicContact CG1-CD2 3.79Å; V242-L244 HydrophobicContact CG1-CG 4.37Å; V242-L249 HydrophobicContact CG2-CD1 3.76Å; V242-F260 HydrophobicContact CG1-CE2 4.45Å; V242-F260 HydrophobicContact CG1-CZ 3.94Å
243D96Very high95.3Very high33 Ų3363.9 Ų63.918%0.17635%0.346CS..EExtended strand (participates in β ladder)trans-98.4102.1179.1-174.9-11.8000110.1C241 S245 S246 R247 V248 K250C241-D243 PolarHBondContact O-N 2.97Å; D243-S245 VanDerWaalsContact C-N 3.31Å; D243-S245 WeakPolarHBondContact OD1-CA 3.46Å; D243-S245 WeakPolarHBondContact OD1-CB 3.26Å; D243-S245 PolarHBondContact OD1-N 3.48Å; D243-S246 WeakPolarHBondContact CB-OG 3.49Å; D243-S246 PolarHBondContact OD1-N 3Å; D243-S246 VanDerWaalsContact OD1-N 3.1Å; D243-S246 PolarHBondContact OD1-OG 3.37Å; D243-S246 PolarHBondContact OD2-OG 3.46Å; D243-R247 VanDerWaalsContact O-CA 3.3Å; D243-R247 WeakPolarHBondContact O-CA 3.3Å; D243-R247 PolarHBondContact O-N 3.36Å; D243-V248 HydrophobicContact CB-CG2 4.2Å; D243-V248 PolarHBondContact N-O 3.07Å; D243-V248 PolarHBondContact O-N 2.94Å; D243-K250 WeakPolarHBondContact OD2-CE 3.45Å; D243-K250 IonicContact OD2-NZ 2.91Å; D243-K250 PolarHBondContact OD2-NZ 2.98Å
244L94.7Very high94.9Very high107 Ų10761 Ų6156%0.5634%0.336SS*.THydrogen-bonded Turntrans-76.8-19.5179.9-57.4-179000112.9L150 V242 F260L150-L244 HydrophobicContact CD1-CD2 3.7Å; L150-L244 HydrophobicContact CD2-CD2 3.96Å; L150-L244 HydrophobicContact CG-CD2 4.48Å; V242-L244 HydrophobicContact CG1-CD2 3.79Å; V242-L244 HydrophobicContact CG1-CG 4.37Å; L244-F260 HydrophobicContact CD2-CE2 4.45Å
245S94.4Very high94.4Very high121 Ų12164 Ų6485%0.84637%0.368SS*.THydrogen-bonded Turntrans-74.8-48.2-179.9-52.40000110.3D243D243-S245 VanDerWaalsContact C-N 3.31Å; D243-S245 WeakPolarHBondContact OD1-CA 3.46Å; D243-S245 WeakPolarHBondContact OD1-CB 3.26Å; D243-S245 PolarHBondContact OD1-N 3.48Å
246S94.8Very high94.3Very high55 Ų5565.2 Ų65.239%0.38537%0.374SS..THydrogen-bonded Turntrans-87.8-5.917659.90000113.5D243 V248D243-S246 WeakPolarHBondContact CB-OG 3.49Å; D243-S246 PolarHBondContact OD1-N 3Å; D243-S246 VanDerWaalsContact OD1-N 3.1Å; D243-S246 PolarHBondContact OD1-OG 3.37Å; D243-S246 PolarHBondContact OD2-OG 3.46Å; S246-V248 WeakPolarHBondContact O-CG1 3.36Å; S246-V248 WeakPolarHBondContact OG-CG2 3.49Å
247R94.8Very high94.3Very high108 Ų10864.3 Ų64.341%0.40837%0.369SS..THydrogen-bonded Turntrans5843.9-177.5-65.7-86-157.9160.22.9112.4D243 F260D243-R247 VanDerWaalsContact O-CA 3.3Å; D243-R247 WeakPolarHBondContact O-CA 3.3Å; D243-R247 PolarHBondContact O-N 3.36Å; R247-F260 HydrophobicContact CB-CD2 4.16Å; R247-F260 WeakPolarHBondContact O-CD2 3.41Å; R247-F260 PolarHBondContact O-N 3.33Å
248V96.8Very high94.3Very high15 Ų1560.4 Ų60.49%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-130.8153.4177.5-49.60000112.3D243 S246 K250 E257 L258 F260D243-V248 HydrophobicContact CB-CG2 4.2Å; D243-V248 PolarHBondContact N-O 3.07Å; D243-V248 PolarHBondContact O-N 2.94Å; S246-V248 WeakPolarHBondContact O-CG1 3.36Å; S246-V248 WeakPolarHBondContact OG-CG2 3.49Å; V248-K250 HydrophobicContact CG2-CD 4.33Å; V248-K250 HydrophobicContact CG2-CG 3.68Å; V248-E257 HydrophobicContact CB-CB 4.16Å; V248-E257 HydrophobicContact CG1-CB 4.42Å; V248-E257 HydrophobicContact CG2-CB 4.02Å; V248-E257 HydrophobicContact CG2-CG 4.34Å; V248-L258 CarbonylContact C-O 3.51Å; V248-L258 VanDerWaalsContact CA-O 3.26Å; V248-L258 WeakPolarHBondContact CA-O 3.39Å; V248-F260 VanDerWaalsContact C-CZ 3.49Å; V248-F260 WeakPolarHBondContact O-CE2 3.06Å; V248-F260 WeakPolarHBondContact O-CZ 3.48Å
249L97.7Very high94.4Very high0 Ų064.6 Ų64.60%038%0.379CS..EExtended strand (participates in β ladder)trans-97.1111.8163.8-172.871.1000108.6V152 I165 L209 C240 V242 L258 F260V152-L249 HydrophobicContact CG1-CB 4.08Å; V152-L249 HydrophobicContact CG1-CD2 4.16Å; V152-L249 HydrophobicContact CG2-CD2 4.28Å; I165-L249 HydrophobicContact CD1-CD2 3.9Å; L209-L249 HydrophobicContact CD2-CD2 3.58Å; C240-L249 HydrophobicContact CB-CD1 3.88Å; C240-L249 HydrophobicContact CB-CG 4.38Å; V242-L249 HydrophobicContact CG2-CD1 3.76Å; L249-L258 HydrophobicContact CB-CB 4.37Å; L249-L258 PolarHBondContact N-O 3.12Å; L249-L258 PolarHBondContact O-N 3.42Å; L249-F260 HydrophobicContact CB-CE1 3.86Å; L249-F260 HydrophobicContact CB-CZ 4.12Å
250K96.8Very high94.4Very high64 Ų6459.3 Ų59.328%0.27836%0.357SS..EExtended strand (participates in β ladder)trans-88.6131.3179.5-48.8-172.2-178.3-174.90110.1C240 C241 D243 V248 E256 E257C240-K250 CarbonylContact C-O 3.43Å; C240-K250 VanDerWaalsContact CA-O 3.29Å; C240-K250 WeakPolarHBondContact CA-O 3.34Å; C241-K250 HydrophobicContact CB-CB 4.17Å; C241-K250 PolarHBondContact N-O 3.18Å; C241-K250 PolarHBondContact O-N 3.02Å; D243-K250 WeakPolarHBondContact OD2-CE 3.45Å; D243-K250 IonicContact OD2-NZ 2.91Å; D243-K250 PolarHBondContact OD2-NZ 2.98Å; V248-K250 HydrophobicContact CG2-CD 4.33Å; V248-K250 HydrophobicContact CG2-CG 3.68Å; K250-E256 WeakPolarHBondContact CA-O 3.33Å; K250-E257 HydrophobicContact CD-CG 4.44Å; K250-E257 VanDerWaalsContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CE-OE1 3.47Å; K250-E257 HydrophobicContact CG-CG 4.06Å; K250-E257 IonicContact NZ-OE1 3.32Å; K250-E257 PolarHBondContact NZ-OE1 2.85Å
251L95.6Very high94.2Very high1 Ų161.1 Ų61.11%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-103.196.4179.1-59.4178.2000109.1L209 Q212 G253 S254 G255 E256 L258L209-L251 HydrophobicContact CB-CD1 4.03Å; L209-L251 HydrophobicContact CB-CD2 4.26Å; L209-L251 HydrophobicContact CD2-CD2 4.07Å; L209-L251 WeakPolarHBondContact O-CD1 3.36Å; Q212-L251 PolarHBondContact NE2-O 2.83Å; L251-G253 VanDerWaalsContact C-N 3.25Å; L251-G253 PolarHBondContact O-N 2.98Å; L251-S254 PolarHBondContact O-N 3.18Å; L251-S254 VanDerWaalsContact O-N 3.1Å; L251-G255 PolarHBondContact O-N 3.17Å; L251-E256 HydrophobicContact CD1-CB 4.38Å; L251-E256 PolarHBondContact N-O 2.86Å; L251-L258 HydrophobicContact CD1-CD1 3.88Å; L251-L258 HydrophobicContact CD1-CG 4.16Å; L251-L258 HydrophobicContact CG-CD1 4.39Å
252Q88.4Confident93.8Very high149 Ų14966.2 Ų66.270%0.69638%0.38SS*.THydrogen-bonded Turntrans-62-32.1-169.1-166.1177.91300113.3K239 S254K239-Q252 HydrophobicContact CB-CB 3.83Å; K239-Q252 VanDerWaalsContact O-CB 3.25Å; K239-Q252 WeakPolarHBondContact O-CB 3.26Å; K239-Q252 PolarHBondContact O-N 3.46Å; Q252-S254 VanDerWaalsContact C-N 3.29Å; Q252-S254 PolarHBondContact O-N 3.22Å
253G84.4Confident92.7Very high64 Ų6466.5 Ų66.566%0.6638%0.382SS*.THydrogen-bonded Turntrans-65.4-22.7177.500000115.6L251L251-G253 VanDerWaalsContact C-N 3.25Å; L251-G253 PolarHBondContact O-N 2.98Å
254S88.4Confident91.3Very high31 Ų3170.5 Ų70.522%0.21741%0.41CS..THydrogen-bonded Turntrans-122.3-7.8-17660.70000113.4R211 Q212 L251 Q252 E256R211-S254 PolarHBondContact NH2-O 2.83Å; R211-S254 VanDerWaalsContact NH2-O 3.15Å; Q212-S254 PolarHBondContact NE2-OG 2.76Å; L251-S254 PolarHBondContact O-N 3.18Å; L251-S254 VanDerWaalsContact O-N 3.1Å; Q252-S254 VanDerWaalsContact C-N 3.29Å; Q252-S254 PolarHBondContact O-N 3.22Å; S254-E256 PolarHBondContact O-N 3.38Å; S254-E256 PolarHBondContact OG-OE2 3.47Å
255G88.8Confident89.9Confident68 Ų6873.4 Ų73.470%0.70143%0.426SS*.THydrogen-bonded Turntrans6714.2-175.500000113.6L251L251-G255 PolarHBondContact O-N 3.17Å
256E94.3Very high88Confident33 Ų3373.9 Ų73.915%0.15442%0.423CS..EExtended strand (participates in β ladder)trans-86.3149.8-179.5-70.6179.5112.200111.9R211 K250 L251 S254R211-E256 VanDerWaalsContact CB-OE2 3.23Å; R211-E256 WeakPolarHBondContact CB-OE2 3.16Å; R211-E256 WeakPolarHBondContact CG-OE1 3.21Å; R211-E256 WeakPolarHBondContact CG-OE2 3.46Å; R211-E256 IonicContact CZ-OE1 2.98Å; R211-E256 IonicContact CZ-OE2 2.67Å; R211-E256 PolarHBondContact N-OE2 3.42Å; R211-E256 IonicContact NE-OE1 3.78Å; R211-E256 IonicContact NE-OE2 3.98Å; R211-E256 VanDerWaalsContact NH1-CG 3.33Å; R211-E256 IonicContact NH1-OE1 3.55Å; R211-E256 PolarHBondContact NH1-OE1 3.31Å; R211-E256 IonicContact NH1-OE2 3.57Å; R211-E256 VanDerWaalsContact NH2-CG 3.31Å; K250-E256 WeakPolarHBondContact CA-O 3.33Å; L251-E256 HydrophobicContact CD1-CB 4.38Å; L251-E256 PolarHBondContact N-O 2.86Å; S254-E256 PolarHBondContact O-N 3.38Å; S254-E256 PolarHBondContact OG-OE2 3.47Å
257E96.4Very high85.9Confident107 Ų10775.9 Ų75.950%0.544%0.437SS..EExtended strand (participates in β ladder)trans-118122.1173.2-56-167.2146.500108.4V248 K250V248-E257 HydrophobicContact CB-CB 4.16Å; V248-E257 HydrophobicContact CG1-CB 4.42Å; V248-E257 HydrophobicContact CG2-CB 4.02Å; V248-E257 HydrophobicContact CG2-CG 4.34Å; K250-E257 HydrophobicContact CD-CG 4.44Å; K250-E257 VanDerWaalsContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CE-OE1 3.47Å; K250-E257 HydrophobicContact CG-CG 4.06Å; K250-E257 IonicContact NZ-OE1 3.32Å; K250-E257 PolarHBondContact NZ-OE1 2.85Å
258L96.6Very high83.7Confident28 Ų2878.3 Ų78.315%0.14745%0.453CS..EExtended strand (participates in β ladder)trans-100.9115176.3-61.7179.4000109L209 V248 L249 L251L209-L258 HydrophobicContact CB-CD1 4.04Å; L209-L258 HydrophobicContact CD2-CD1 4.05Å; L209-L258 HydrophobicContact CG-CD1 3.99Å; V248-L258 CarbonylContact C-O 3.51Å; V248-L258 VanDerWaalsContact CA-O 3.26Å; V248-L258 WeakPolarHBondContact CA-O 3.39Å; L249-L258 HydrophobicContact CB-CB 4.37Å; L249-L258 PolarHBondContact N-O 3.12Å; L249-L258 PolarHBondContact O-N 3.42Å; L251-L258 HydrophobicContact CD1-CD1 3.88Å; L251-L258 HydrophobicContact CD1-CG 4.16Å; L251-L258 HydrophobicContact CG-CD1 4.39Å
259P96.2Very high80.9Confident93 Ų9383 Ų8360%0.60449%0.486SS*.EExtended strand (participates in β ladder)trans-65.8140.4178.527.4-33.6000111.1
260F96.1Very high78.5Confident20 Ų2090 Ų909%0.08852%0.518CS..PPolyproline II helixtrans-68.2139.2170.4-63.1-53000110.1L150 L151 V152 I165 V242 L244 R247 V248 L249L150-F260 HydrophobicContact CB-CD1 4.06Å; L150-F260 HydrophobicContact CB-CE1 4.06Å; L150-F260 HydrophobicContact CD1-CZ 4.4Å; L150-F260 HydrophobicContact CD2-CD2 4.04Å; L150-F260 HydrophobicContact CD2-CE2 4.21Å; L150-F260 HydrophobicContact CD2-CG 4.29Å; L151-F260 CarbonylContact O-C 3.51Å; L151-F260 VanDerWaalsContact O-CA 3.27Å; L151-F260 WeakPolarHBondContact O-CA 3.35Å; V152-F260 HydrophobicContact CG1-CD1 3.59Å; V152-F260 HydrophobicContact CG1-CE1 3.81Å; I165-F260 HydrophobicContact CG1-CE1 4.25Å; V242-F260 HydrophobicContact CG1-CE2 4.45Å; V242-F260 HydrophobicContact CG1-CZ 3.94Å; L244-F260 HydrophobicContact CD2-CE2 4.45Å; R247-F260 HydrophobicContact CB-CD2 4.16Å; R247-F260 WeakPolarHBondContact O-CD2 3.41Å; R247-F260 PolarHBondContact O-N 3.33Å; V248-F260 VanDerWaalsContact C-CZ 3.49Å; V248-F260 WeakPolarHBondContact O-CE2 3.06Å; V248-F260 WeakPolarHBondContact O-CZ 3.48Å; L249-F260 HydrophobicContact CB-CE1 3.86Å; L249-F260 HydrophobicContact CB-CZ 4.12Å
261M92.9Very high76.1Confident66 Ų6695.5 Ų95.533%0.32554%0.544SS..PPolyproline II helixtrans-65.3143.5177.1-56.7-171.376.100110.8L151 K162L151-M261 HydrophobicContact CB-CB 4.03Å; L151-M261 HydrophobicContact CB-CG 4.13Å; L151-M261 HydrophobicContact CB-SD 4.21Å; L151-M261 PolarHBondContact O-N 3.03Å; K162-M261 HydrophobicContact CD-CE 4.22Å; K162-M261 HydrophobicContact CD-SD 3.93Å; K162-M261 HydrophobicContact CG-SD 3.94Å
262E87.7Confident73.6Confident177 Ų177103.5 Ų103.583%0.82758%0.582SS**PPolyproline II helixtrans-69.3136.2172.6-65.8-167.9155.500110.4
263P74.9Confident71.4Confident56 Ų56103.7 Ų103.736%0.36459%0.588SS.*PPolyproline II helixtrans-66.5144.5172.929.3-35000110.2T148 L265T148-P263 HydrophobicContact CG2-CB 3.35Å; T148-P263 HydrophobicContact CG2-CG 3.43Å; T148-P263 VanDerWaalsContact CG2-CG 3.43Å; P263-L265 PolarHBondContact O-N 3.34Å
264P66.4Low69.4Low117 Ų117105.2 Ų105.276%0.7659%0.588SS**PPolyproline II helixtrans-58.6128.3172.323.4-30.3000109.2V266P264-V266 PolarHBondContact O-N 3.39Å
265L64.7Low67.5Low169 Ų169110.7 Ų110.789%0.88562%0.615SS**  trans-63106.2174.9-66.4173.7000108.1P263 S267P263-L265 PolarHBondContact O-N 3.34Å; L265-S267 PolarHBondContact O-N 3.04Å
266V55.7Low65.7Low131 Ų131116 Ų11679%0.79462%0.621SS**  trans-71.199.1170.1-169.60000106.6P264 Q268P264-V266 PolarHBondContact O-N 3.39Å; V266-Q268 PolarHBondContact O-N 3.3Å; V266-Q268 VanDerWaalsContact O-N 3.09Å
267S50.5Low63.4Low97 Ų97121.2 Ų121.268%0.67865%0.651SS**  trans-55.3115.3164.9-61.30000107.3L265 C269L265-S267 PolarHBondContact O-N 3.04Å; S267-C269 VanDerWaalsContact C-N 3.29Å; S267-C269 PolarHBondContact O-N 3.4Å
268Q48.7Very low60.9Low159 Ų159128 Ų12874%0.74369%0.689SS**  trans-6591.4175.5-71.4177.416.800108.8V266 H270V266-Q268 PolarHBondContact O-N 3.3Å; V266-Q268 VanDerWaalsContact O-N 3.09Å; Q268-H270 PolarHBondContact O-N 2.99Å; Q268-H270 PolarHBondContact O-ND1 2.97Å; Q268-H270 PolarHBondContact OE1-CE1 2.84Å; Q268-H270 VanDerWaalsContact OE1-CE1 3.26Å
269C38.1Very low59.1Low114 Ų114133 Ų13377%0.7772%0.716SS**  trans-69.588162.7-600000106.9S267 Q271S267-C269 VanDerWaalsContact C-N 3.29Å; S267-C269 PolarHBondContact O-N 3.4Å; C269-Q271 VanDerWaalsContact C-N 3.3Å; C269-Q271 PolarHBondContact O-N 3.47Å
270H45.8Very low57.2Low147 Ų147135.1 Ų135.168%0.68172%0.722SS**  trans-59.899.9159.7-67.983.7000106.3Q268 Q272Q268-H270 PolarHBondContact O-N 2.99Å; Q268-H270 PolarHBondContact O-ND1 2.97Å; Q268-H270 PolarHBondContact OE1-CE1 2.84Å; Q268-H270 VanDerWaalsContact OE1-CE1 3.26Å; H270-Q272 PolarHBondContact O-N 3.33Å
271Q47.2Very low55Low178 Ų178141.5 Ų141.583%0.83276%0.757SS**  trans-66.496.9157.1-72.9-179.931.800104.8C269 D273C269-Q271 VanDerWaalsContact C-N 3.3Å; C269-Q271 PolarHBondContact O-N 3.47Å; Q271-D273 VanDerWaalsContact C-N 3.32Å; Q271-D273 PolarHBondContact O-N 3.27Å
272Q42.8Very low52.8Low169 Ų169145.9 Ų145.979%0.7978%0.783SS**  trans-57.5106.1159.6-84.7178.8-76.400105.9H270 S274H270-Q272 PolarHBondContact O-N 3.33Å; Q272-S274 PolarHBondContact O-N 2.84Å
273D42.9Very low50.6Low154 Ų154144 Ų14482%0.82478%0.78SS**  trans-5291.4155.4-88.2-54.5000107.5Q271 N275Q271-D273 VanDerWaalsContact C-N 3.32Å; Q271-D273 PolarHBondContact O-N 3.27Å; D273-N275 PolarHBondContact O-N 2.83Å
274S42.4Very low49Very low96 Ų96149.9 Ų149.967%0.67181%0.808SS**  trans-8083.4164.3-59.90000105.9Q272 E276Q272-S274 PolarHBondContact O-N 2.84Å; S274-E276 PolarHBondContact O-N 2.93Å
275N47.6Very low47.7Very low145 Ų145152.2 Ų152.278%0.77581%0.811SS**  trans-67.179.8161.8-124.9-32.6000107.2D273 N277D273-N275 PolarHBondContact O-N 2.83Å; N275-N277 PolarHBondContact O-N 2.83Å
276E52.7Low46.4Very low179 Ų179150.9 Ų150.984%0.83681%0.805SS**  trans-86.1103.2165.6-66.8-147.5108.500108.1S274 L278S274-E276 PolarHBondContact O-N 2.93Å; E276-L278 PolarHBondContact O-N 3.27Å
277N44.3Very low45.7Very low144 Ų144152.6 Ų152.677%0.7781%0.806SS**  trans-51.6126.8154.8-86.3-103.7000108.6N275N275-N277 PolarHBondContact O-N 2.83Å
278L44.9Very low45.2Very low249 Ų249157.6 Ų157.6100%1.30482%0.818SS**  trans-156.30137.4-128.378.6000110.4E276E276-L278 PolarHBondContact O-N 3.27Å

Retrieved 278 of 278 residues in 451.7 ms (Link to these results)