A0A5K4F0K2_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F0K2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 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
1M31.7Very low36.8Very low241 Ų241133.5 Ų133.5100%1.18770%0.697SS**  0105.50-78.8174.8174.500107.8
2S33.1Very low37.1Very low106 Ų106127 Ų12774%0.74166%0.663SS**  trans-87.4109.8175.141.60000108.8F4S2-F4 PolarHBondContact O-N 2.91Å
3V32.5Very low38Very low126 Ų126127.5 Ų127.576%0.76466%0.657SS**  trans-81.2101.9169.9-175.10000106.8N5V3-N5 PolarHBondContact O-N 3.01Å
4F30.8Very low38.9Very low192 Ų192130.1 Ų130.184%0.84266%0.661SS**  trans-64100.8171.4-101.9-96.9000109.1S2 G6S2-F4 PolarHBondContact O-N 2.91Å; F4-G6 PolarHBondContact O-N 3.05Å
5N36.2Very low39.3Very low132 Ų132124.1 Ų124.171%0.70663%0.629SS**  trans-75.164.8168.7-89.7-10.4000110.6V3V3-N5 PolarHBondContact O-N 3.01Å
6G35.5Very low40Very low47 Ų47119.3 Ų119.349%0.48561%0.605SS.*  trans-77.9-20.2173.300000113.7F4F4-G6 PolarHBondContact O-N 3.05Å
7H37.9Very low40.5Very low167 Ų167116.6 Ų116.677%0.77359%0.593SS**Hα-helixtrans-84.2-18.6-170.9-90.2-59.2000115.7
8H39.3Very low40.6Very low150 Ų150112.1 Ų112.169%0.69458%0.58SS**Hα-helixtrans-76-22.9-175.6-10755.9000114
9N41.8Very low40.6Very low99 Ų99109.7 Ų109.753%0.52957%0.568SS.*Hα-helixtrans-88.6-25.1-176.7-78.9-31.2000114.2Y11 K13N9-Y11 VanDerWaalsContact C-N 3.32Å; N9-Y11 PolarHBondContact O-N 3.36Å; N9-K13 WeakPolarHBondContact O-CB 3.45Å; N9-K13 PolarHBondContact O-N 2.85Å; N9-K13 VanDerWaalsContact O-N 3.07Å
10D44.6Very low40.5Very low92 Ų92112.1 Ų112.149%0.49257%0.569SS.*Hα-helixtrans-69.5-30.5-178.8-78.8-18.6000112.7K13 K14D10-K13 PolarHBondContact O-N 3.14Å; D10-K14 WeakPolarHBondContact O-CG 3.34Å; D10-K14 PolarHBondContact O-N 3.08Å
11Y41Very low40.6Very low117 Ų117113.9 Ų113.946%0.45957%0.573SS.*Hα-helixtrans-67.1-52177.2-171.2-98.2000111.6N9 K13 K14 E15 R111N9-Y11 VanDerWaalsContact C-N 3.32Å; N9-Y11 PolarHBondContact O-N 3.36Å; Y11-K13 PolarHBondContact O-N 3.42Å; Y11-K14 WeakPolarHBondContact O-CB 3.46Å; Y11-K14 PolarHBondContact O-N 3.2Å; Y11-K14 VanDerWaalsContact O-N 3.1Å; Y11-E15 HydrophobicContact CD1-CG 4.45Å; Y11-E15 HydrophobicContact CE1-CG 4.1Å; Y11-E15 VanDerWaalsContact CE1-OE1 3.24Å; Y11-E15 WeakPolarHBondContact CE1-OE1 3.37Å; Y11-E15 PolarHBondContact O-N 3.33Å; Y11-E15 PolarHBondContact OH-OE1 3.4Å; Y11-R111 PolarHBondContact OH-NH1 2.93Å
12L41Very low40.5Very low55 Ų55112.4 Ų112.429%0.28855%0.554SS.*Hα-helixtrans-58.8-38.3175-72.9170.7000111.5E15 I16 I132L12-E15 PolarHBondContact O-N 3.49Å; L12-I16 WeakPolarHBondContact O-CB 3.46Å; L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 2.8Å; L12-I132 HydrophobicContact CD2-CD1 4.06Å
13K48.8Very low40.5Very low134 Ų134115.1 Ų115.158%0.58355%0.553SS**Hα-helixtrans-65.4-39.7176.8-158175.3-173.5179.70112N9 D10 Y11 N17N9-K13 WeakPolarHBondContact O-CB 3.45Å; N9-K13 PolarHBondContact O-N 2.85Å; N9-K13 VanDerWaalsContact O-N 3.07Å; D10-K13 PolarHBondContact O-N 3.14Å; Y11-K13 PolarHBondContact O-N 3.42Å; K13-N17 VanDerWaalsContact O-CB 3.25Å; K13-N17 WeakPolarHBondContact O-CB 3.32Å; K13-N17 PolarHBondContact O-N 2.61Å; K13-N17 PolarHBondContact O-ND2 3.03Å
14K50.6Low40.6Very low163 Ų163114.3 Ų114.371%0.70955%0.548SS*.Hα-helixtrans-63.8-42.5173.1-82.6-178.1178.6178.90111.9D10 Y11 N17 G18D10-K14 WeakPolarHBondContact O-CG 3.34Å; D10-K14 PolarHBondContact O-N 3.08Å; Y11-K14 WeakPolarHBondContact O-CB 3.46Å; Y11-K14 PolarHBondContact O-N 3.2Å; Y11-K14 VanDerWaalsContact O-N 3.1Å; K14-N17 PolarHBondContact O-N 3.36Å; K14-G18 PolarHBondContact O-N 3.49Å
15E45.4Very low40.6Very low40 Ų40111.4 Ų111.419%0.18754%0.541CS..Hα-helixtrans-67.1-45.9178-71.2-163157.900112.4Y11 L12 N17 G18 L19 R111 Y130Y11-E15 HydrophobicContact CD1-CG 4.45Å; Y11-E15 HydrophobicContact CE1-CG 4.1Å; Y11-E15 VanDerWaalsContact CE1-OE1 3.24Å; Y11-E15 WeakPolarHBondContact CE1-OE1 3.37Å; Y11-E15 PolarHBondContact O-N 3.33Å; Y11-E15 PolarHBondContact OH-OE1 3.4Å; L12-E15 PolarHBondContact O-N 3.49Å; E15-N17 VanDerWaalsContact C-N 3.29Å; E15-N17 PolarHBondContact O-N 2.73Å; E15-G18 WeakPolarHBondContact O-CA 3.24Å; E15-G18 PolarHBondContact O-N 3.46Å; E15-G18 VanDerWaalsContact O-N 3.09Å; E15-L19 PolarHBondContact O-N 3.44Å; E15-R111 IonicContact OE1-NH1 2.7Å; E15-Y130 PolarHBondContact OE1-OH 2.79Å
16I50.2Low40.3Very low48 Ų48108.4 Ų108.425%0.24654%0.541CS..Hα-helixtrans-59.1-41.5174-67.9166.8000110.8L12 L19 R20 I134 P249L12-I16 WeakPolarHBondContact O-CB 3.46Å; L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 2.8Å; I16-L19 PolarHBondContact O-N 2.79Å; I16-R20 WeakPolarHBondContact O-CG 3.49Å; I16-R20 PolarHBondContact O-N 3.3Å; I16-I134 HydrophobicContact CG1-CD1 4.41Å; I16-P249 HydrophobicContact CD1-CG 4.26Å
17N48.5Very low40.2Very low73 Ų73114.2 Ų114.239%0.3956%0.556SS.*Hα-helixtrans-68-34.1176.1-75.4-20.9000112.6K13 K14 E15 R20 K21K13-N17 VanDerWaalsContact O-CB 3.25Å; K13-N17 WeakPolarHBondContact O-CB 3.32Å; K13-N17 PolarHBondContact O-N 2.61Å; K13-N17 PolarHBondContact O-ND2 3.03Å; K14-N17 PolarHBondContact O-N 3.36Å; E15-N17 VanDerWaalsContact C-N 3.29Å; E15-N17 PolarHBondContact O-N 2.73Å; N17-R20 PolarHBondContact O-N 3.3Å; N17-K21 PolarHBondContact O-N 3.02Å
18G41.1Very low39.8Very low35 Ų35114.4 Ų114.436%0.36156%0.557SS.*Hα-helixtrans-62.1-42.6171.800000112.2K14 E15 K21 W22K14-G18 PolarHBondContact O-N 3.49Å; E15-G18 WeakPolarHBondContact O-CA 3.24Å; E15-G18 PolarHBondContact O-N 3.46Å; E15-G18 VanDerWaalsContact O-N 3.09Å; G18-K21 WeakPolarHBondContact O-CB 3.39Å; G18-K21 PolarHBondContact O-N 3.04Å; G18-K21 VanDerWaalsContact O-N 3.16Å; G18-W22 PolarHBondContact O-N 3.4Å
19L41.7Very low39.2Very low67 Ų67116 Ų11635%0.35157%0.567SS.*Hα-helixtrans-68.2-34.4175.7-72.9157.6000112.8E15 I16 K21 W22 K23 I113 I134E15-L19 PolarHBondContact O-N 3.44Å; I16-L19 PolarHBondContact O-N 2.79Å; L19-K21 PolarHBondContact O-N 3.4Å; L19-W22 WeakPolarHBondContact O-CB 3.38Å; L19-W22 PolarHBondContact O-N 3.45Å; L19-W22 VanDerWaalsContact O-N 3.17Å; L19-K23 PolarHBondContact O-N 3.19Å; L19-I113 HydrophobicContact CD1-CB 4.45Å; L19-I113 HydrophobicContact CD1-CD1 4.47Å; L19-I113 HydrophobicContact CD1-CG2 3.58Å; L19-I134 HydrophobicContact CD1-CD1 3.89Å
20R39Very low38.4Very low158 Ų158119.7 Ų119.760%0.59659%0.585SS**Hα-helixtrans-61.2-32.3171.3-74179.4-176.2-170-0.2112.1I16 N17I16-R20 WeakPolarHBondContact O-CG 3.49Å; I16-R20 PolarHBondContact O-N 3.3Å; N17-R20 PolarHBondContact O-N 3.3Å
21K41.4Very low37.5Very low150 Ų150123.4 Ų123.465%0.65260%0.599SS**Hα-helixtrans-72.4-34.3174-67.4-178.8178-174.10112.6N17 G18 L19 K23 V24 N25N17-K21 PolarHBondContact O-N 3.02Å; G18-K21 WeakPolarHBondContact O-CB 3.39Å; G18-K21 PolarHBondContact O-N 3.04Å; G18-K21 VanDerWaalsContact O-N 3.16Å; L19-K21 PolarHBondContact O-N 3.4Å; K21-K23 VanDerWaalsContact C-N 3.26Å; K21-K23 PolarHBondContact O-N 3Å; K21-V24 PolarHBondContact O-N 2.66Å; K21-N25 PolarHBondContact O-N 2.91Å
22W30.5Very low36.8Very low209 Ų209127.1 Ų127.179%0.79262%0.618SS**Hα-helixtrans-59.9-36.1174-96.160.9000112.7G18 L19 V24 N25 G26G18-W22 PolarHBondContact O-N 3.4Å; L19-W22 WeakPolarHBondContact O-CB 3.38Å; L19-W22 PolarHBondContact O-N 3.45Å; L19-W22 VanDerWaalsContact O-N 3.17Å; W22-V24 PolarHBondContact O-N 3.24Å; W22-N25 PolarHBondContact O-N 3.01Å; W22-G26 PolarHBondContact O-N 3.05Å
23K33.1Very low36.2Very low163 Ų163130.3 Ų130.371%0.70965%0.645SS**Hα-helixtrans-65.7-23.2174.7-157.9175.9-179.2-175.30113.4L19 K21L19-K23 PolarHBondContact O-N 3.19Å; K21-K23 VanDerWaalsContact C-N 3.26Å; K21-K23 PolarHBondContact O-N 3Å
24V34.6Very low35Very low109 Ų109129 Ų12966%0.66165%0.652SS**Hα-helixtrans-85-29.5179.5-173.20000111.8K21 W22K21-V24 PolarHBondContact O-N 2.66Å; W22-V24 PolarHBondContact O-N 3.24Å
25N31.2Very low33.8Very low132 Ų132129.1 Ų129.171%0.70666%0.661SS**Hα-helixtrans-86.3-14.2-179.1-71.54.6000113.9K21 W22 E27K21-N25 PolarHBondContact O-N 2.91Å; W22-N25 PolarHBondContact O-N 3.01Å; N25-E27 VanDerWaalsContact C-N 3.32Å; N25-E27 PolarHBondContact O-N 2.7Å
26G29.4Very low32.8Very low68 Ų68134.7 Ų134.770%0.70169%0.69SS**THydrogen-bonded Turntrans-77.4-9.8178.600000115.3W22W22-G26 PolarHBondContact O-N 3.05Å
27E32.6Very low31.7Very low170 Ų170142 Ų14279%0.79472%0.723SS**THydrogen-bonded Turntrans-102.811-176.8-75.6-176.5176.200114.5N25N25-E27 VanDerWaalsContact C-N 3.32Å; N25-E27 PolarHBondContact O-N 2.7Å
28Q29.6Very low30.5Very low171 Ų171146 Ų14680%0.79974%0.739SS**SBendtrans-12896.1170.5-83.1-175.54.500111.7
29M27.1Very low29.6Very low184 Ų184150.6 Ų150.691%0.90676%0.756SS**  trans161.462.7137.1-78.6-119.4174.700109.2
30I26Very low29Very low176 Ų176151.3 Ų151.390%0.90378%0.779SS**  trans-95.682.6151.2-57.9174.5000105.1
31E25.4Very low28.2Very low170 Ų170152.7 Ų152.779%0.79479%0.79SS**  trans-150.896.1161.6-119.5176.1-170.400110.9
32K26.1Very low27.5Very low195 Ų195154.7 Ų154.785%0.84880%0.801SS**  trans42.5109143.4-64.2175.4178.5173.70118.6
33S27.5Very low27.2Very low122 Ų122151.4 Ų151.485%0.85380%0.799SS**  trans-147.691.2134.763.40000109.9
34S23.3Very low26.9Very low105 Ų105150.3 Ų150.373%0.73480%0.801SS**  trans-69.2121.4151.846.20000107.9
35D27.2Very low26.5Very low167 Ų167151.5 Ų151.589%0.89380%0.803SS**  trans-156.2119.6143-93.3-29.9000110.2
36I24Very low26.2Very low157 Ų157152.7 Ų152.781%0.80580%0.804SS**  trans-79.4130.6175.9-68.2162.2000107.1
37Q26.9Very low26Very low202 Ų202155.6 Ų155.694%0.94480%0.804SS**  trans-133.4119152.5-110.7-176.96.200110.9
38E21.9Very low25.8Very low155 Ų155154.9 Ų154.972%0.72481%0.805SS**  trans-88.2159.6-179-135.9-176.1-166.600110.8
39N24Very low25.6Very low133 Ų133153.3 Ų153.371%0.71180%0.803SS**  trans88111.5152.9-67.2-38.5000120.7
40G27.3Very low25.7Very low81 Ų81153.5 Ų153.584%0.83580%0.801SS**  trans-162.973.6156.500000111.3
41K23.2Very low25.7Very low188 Ų188153.1 Ų153.182%0.81780%0.795SS**  trans-64140.3169.9-79.4173.5172.9172.90111.4
42H27.6Very low25.7Very low192 Ų192150 Ų15089%0.88979%0.792SS**  trans-152.9121.5139.5-107.8-67.3000111.3
43N23Very low25.7Very low139 Ų139147.7 Ų147.774%0.74379%0.788SS**  trans-89.8164.1173.4-85.3-9.5000111.4
44N27.6Very low25.6Very low141 Ų141149.3 Ų149.375%0.75479%0.786SS**  trans136.4143.3140.8-71.1-11.8000109.9
45N25.9Very low25.7Very low133 Ų133152.7 Ų152.771%0.71179%0.79SS**  cis177.8157.7-20.6-112.20.3000105.5
46H25.1Very low25.6Very low158 Ų158152 Ų15273%0.73179%0.786SS**  trans72.3114.8158.7-79.9-29.7000119
47D25.1Very low25.8Very low128 Ų128153 Ų15368%0.68479%0.787SS**  76.9110.168.6-73.2-18.7000112.1
48D28.6Very low25.8Very low156 Ų156151.8 Ų151.883%0.83478%0.782SS**  -178.8146.2102.7-100.3-33.2000113
49N24.9Very low26.1Very low138 Ų138152.2 Ų152.274%0.73878%0.784SS**  trans-62.1150.3-176.1-65.1-66.2000114.9
50H30.2Very low26.2Very low187 Ų187153.1 Ų153.187%0.86679%0.789SS**  trans-151.7132.6133.1-107.3-69.8000112.5
51E24.8Very low26.1Very low169 Ų169155.3 Ų155.379%0.7978%0.781SS**  trans-72.2152.8-172.3-61166.5117.600115.7
52S25.5Very low26.3Very low104 Ų104152.1 Ų152.173%0.72778%0.78SS**  trans62.5134.7145.6850000117.3
53I27.1Very low26.3Very low147 Ų147151 Ų15175%0.75478%0.777SS**  -156.2125.673.7-79.4155.3000108.8Q55I53-Q55 HydrophobicContact CG2-CG 4.44Å
54L24.3Very low26.3Very low155 Ų155155.8 Ų155.881%0.81279%0.785SS**  trans-65.3122.2161.6-74.1150.7000109.9
55Q25.9Very low26.3Very low177 Ų177154.7 Ų154.783%0.82778%0.779SS**  trans-142.9102.3143.4-74.2-165.4-15.900109I53I53-Q55 HydrophobicContact CG2-CG 4.44Å
56N24.7Very low26.2Very low152 Ų152151.2 Ų151.281%0.81377%0.774SS**  trans-65.8120.8160.2-73.5-32.2000108.2
57E28.5Very low26.2Very low178 Ų178148.3 Ų148.383%0.83277%0.771SS**  trans-124.9116.1150.2-80.7-168.316200108.7Q59E57-Q59 PolarHBondContact O-N 3.39Å
58E26Very low26.3Very low176 Ų176149.2 Ų149.282%0.82277%0.774SS**  trans-57.3114.9172-65.8168.4133.800110.2
59Q28.5Very low26.1Very low164 Ų164146.7 Ų146.777%0.76677%0.768SS**  trans-125.589.3153-74-163.7-4.500109E57 N61E57-Q59 PolarHBondContact O-N 3.39Å; Q59-N61 PolarHBondContact O-N 2.92Å
60N25.8Very low26.3Very low152 Ų152147.1 Ų147.181%0.81377%0.771SS**  trans-63.185.2162.5-75-44000109
61N26.8Very low26Very low127 Ų127146.9 Ų146.968%0.67977%0.77SS**  trans-97.1123.6160.5-83-30.9000108.4Q59 M63Q59-N61 PolarHBondContact O-N 2.92Å; N61-M63 PolarHBondContact O-N 3.36Å
62P27Very low26.2Very low122 Ų122146.5 Ų146.579%0.79277%0.773SS**  trans-64.3112.9177.125.6-30.6000108.4R64P62-R64 VanDerWaalsContact C-N 3.31Å; P62-R64 PolarHBondContact O-N 2.8Å
63M26.9Very low26.2Very low167 Ų167149.8 Ų149.882%0.82378%0.778SS**  trans-65.190.7177.6-154.5167.4123.400108.1N61 N65N61-M63 PolarHBondContact O-N 3.36Å; M63-N65 WeakPolarHBondContact CE-OD1 3.11Å; M63-N65 PolarHBondContact O-N 2.98Å; M63-N65 VanDerWaalsContact O-N 3.11Å
64R23.5Very low26.2Very low240 Ų240150.6 Ų150.691%0.90678%0.783SS**  trans-66.5104.3161.9-101.2-175.7171.5-176-2.6106P62 G66P62-R64 VanDerWaalsContact C-N 3.31Å; P62-R64 PolarHBondContact O-N 2.8Å; R64-G66 PolarHBondContact O-N 2.94Å
65N27.3Very low26.4Very low118 Ų118146.8 Ų146.863%0.63178%0.782SS**  trans-62.984.3161.9-83.6-5.1000107.9M63M63-N65 WeakPolarHBondContact CE-OD1 3.11Å; M63-N65 PolarHBondContact O-N 2.98Å; M63-N65 VanDerWaalsContact O-N 3.11Å
66G23.4Very low26.4Very low60 Ų60145.3 Ų145.362%0.61979%0.785SS**  trans-84.7111.8165.800000108.1R64 I68R64-G66 PolarHBondContact O-N 2.94Å; G66-I68 PolarHBondContact O-N 2.85Å; G66-I68 VanDerWaalsContact O-N 3.11Å
67C26.4Very low26.6Very low97 Ų97147.4 Ų147.466%0.65579%0.787SS**  trans-58113.5166-81.60000109.1S69C67-S69 PolarHBondContact O-N 2.82Å
68I25.8Very low26.6Very low147 Ų147146.6 Ų146.675%0.75479%0.788SS**  trans-79.699.7165.2-59.4175.7000106.4G66 N70G66-I68 PolarHBondContact O-N 2.85Å; G66-I68 VanDerWaalsContact O-N 3.11Å; I68-N70 PolarHBondContact O-N 2.9Å; I68-N70 VanDerWaalsContact O-N 3.1Å
69S25.6Very low26.7Very low103 Ų103145.7 Ų145.772%0.7279%0.789SS**  trans-70.198.7167.2-63.80000108.6C67 E71C67-S69 PolarHBondContact O-N 2.82Å; S69-E71 VanDerWaalsContact C-N 3.33Å; S69-E71 PolarHBondContact O-N 2.99Å
70N29.2Very low26.7Very low148 Ų148144.2 Ų144.279%0.79179%0.791SS**  trans-7592.7164.3-83.7-12.9000108.2I68 N72I68-N70 PolarHBondContact O-N 2.9Å; I68-N70 VanDerWaalsContact O-N 3.1Å; N70-N72 PolarHBondContact O-N 3.36Å; N70-N72 VanDerWaalsContact O-N 3.16Å
71E22.2Very low26.9Very low181 Ų181145.4 Ų145.485%0.84679%0.794SS**  trans-62.8105.8156.1-70.7-178.9165.400107.5S69S69-E71 VanDerWaalsContact C-N 3.33Å; S69-E71 PolarHBondContact O-N 2.99Å
72N28.8Very low26.8Very low161 Ų161148.5 Ų148.586%0.86180%0.802SS**  trans-141.9117.6151.6-100.5-24.7000110.1N70N70-N72 PolarHBondContact O-N 3.36Å; N70-N72 VanDerWaalsContact O-N 3.16Å
73E26.1Very low27.1Very low174 Ų174150 Ų15081%0.81380%0.801SS**  trans-62.9149.6177.9-59.7175.6137.900111.8
74N28.2Very low27.1Very low164 Ų164149.9 Ų149.988%0.87780%0.799SS**  trans57.699.8154.4-66.7-28.1000118.5
75G27.6Very low27.3Very low75 Ų75147.4 Ų147.477%0.77379%0.794SS**  trans156.592.8152.600000115.3K77G75-K77 PolarHBondContact O-N 3.35Å; G75-K77 VanDerWaalsContact O-N 3.17Å
76T25.3Very low27.4Very low146 Ų146151 Ų15190%0.89681%0.805SS**  trans-44.5114.3158.58.60000112.1
77K29.7Very low27.5Very low196 Ų196155.9 Ų155.985%0.85282%0.817SS**  174.6141.1121.7-96.4170.3-179.7-179.60111.7G75 D79G75-K77 PolarHBondContact O-N 3.35Å; G75-K77 VanDerWaalsContact O-N 3.17Å; K77-D79 PolarHBondContact O-N 3.35Å
78N28Very low27.6Very low161 Ų161154.7 Ų154.786%0.86182%0.82SS**  trans-47.2111179.2-56.3-24.3000113.2
79D30Very low27.7Very low156 Ų156154.8 Ų154.883%0.83482%0.823SS**  trans-115112.3153.8-84.4-32.2000108.1K77 M81K77-D79 PolarHBondContact O-N 3.35Å; D79-M81 PolarHBondContact O-N 3.29Å
80T27.5Very low27.8Very low134 Ų134156.1 Ų156.182%0.82282%0.822SS**  trans-38.5111.5164.9-51.80000109.1K82T80-K82 PolarHBondContact O-N 3.17Å
81M29.3Very low27.8Very low176 Ų176156.5 Ų156.587%0.86782%0.824SS**  trans-55.5106.7176.4-119.2-171.3-85.700108.1D79 I83D79-M81 PolarHBondContact O-N 3.29Å; M81-I83 PolarHBondContact O-N 3.23Å
82K26Very low28.2Very low193 Ų193155.2 Ų155.284%0.83982%0.817SS**  trans-66.1103.5165.1-76.5-179.6178.9175.60105.5T80 E84T80-K82 PolarHBondContact O-N 3.17Å; K82-E84 VanDerWaalsContact C-N 3.31Å; K82-E84 PolarHBondContact O-N 3.35Å
83I32.2Very low28.2Very low154 Ų154152.2 Ų152.279%0.7981%0.809SS**  trans-60.3102.9164.4-59.4171.9000105.1M81 K85M81-I83 PolarHBondContact O-N 3.23Å; I83-K85 PolarHBondContact O-N 3.16Å
84E27.7Very low28.3Very low164 Ų164152.7 Ų152.777%0.76681%0.805SS**  trans-61.4107169.4-76-171.7159.300107K82 F86K82-E84 VanDerWaalsContact C-N 3.31Å; K82-E84 PolarHBondContact O-N 3.35Å; E84-F86 PolarHBondContact O-N 3.26Å
85K26.6Very low28.4Very low187 Ų187151.3 Ų151.381%0.81380%0.796SS**  trans-58.3101.7171-73.6-179.4174.4-175.30107.9I83 N87I83-K85 PolarHBondContact O-N 3.16Å; K85-N87 PolarHBondContact O-N 3.4Å
86F30.2Very low28.6Very low195 Ų195155.2 Ų155.286%0.85580%0.799SS**  trans-69111.1156.2-97.3-89.7000107.5E84 G88E84-F86 PolarHBondContact O-N 3.26Å; F86-G88 PolarHBondContact O-N 3.43Å
87N26.2Very low28.7Very low162 Ų162150.3 Ų150.387%0.86678%0.778SS**  trans-58.7116.5171.9-73.8-26.4000109.3K85K85-N87 PolarHBondContact O-N 3.4Å
88G27.3Very low28.8Very low71 Ų71147.7 Ų147.773%0.73277%0.773SS**  trans-164.8104.7171.500000108.1F86F86-G88 PolarHBondContact O-N 3.43Å
89D28.8Very low29.3Very low149 Ų149146.4 Ų146.480%0.79777%0.766SS**  trans-57.8156.3-173.1-64.3-55.3000114.7
90N27.8Very low29.8Very low132 Ų132144.6 Ų144.671%0.70676%0.756SS**  trans68.193.8156.3-60.7-23.9000118.5
91N29.5Very low30.8Very low155 Ų155142.3 Ų142.383%0.82974%0.739SS**  171.5138.297.7-89.1-36.2000111.9S93N91-S93 PolarHBondContact O-N 3.08Å
92H28.9Very low32.6Very low154 Ų154138.5 Ų138.571%0.71372%0.722SS**  trans-40.7122.7166.2-79.8-84.5000113.3Y94H92-Y94 AromaticContact CE1-CE2 3.56Å; H92-Y94 AromaticContact ND1-CD2 3.58Å; H92-Y94 AromaticContact ND1-CE2 3.18Å; H92-Y94 WeakPolarHBondContact ND1-CE2 3.28Å
93S29.6Very low34.9Very low99 Ų99131.5 Ų131.569%0.69269%0.692SS**  trans-130.7100.7137.173.30000108.6N91 I95N91-S93 PolarHBondContact O-N 3.08Å; S93-I95 PolarHBondContact O-N 3.27Å; S93-I95 VanDerWaalsContact O-N 3.16Å
94Y27.4Very low36.9Very low184 Ų184126.9 Ų126.972%0.72267%0.671SS**  trans-60.3105156.1-78-90.7000107.1H92H92-Y94 AromaticContact CE1-CE2 3.56Å; H92-Y94 AromaticContact ND1-CD2 3.58Å; H92-Y94 AromaticContact ND1-CE2 3.18Å; H92-Y94 WeakPolarHBondContact ND1-CE2 3.28Å
95I31.3Very low39.3Very low134 Ų134123.2 Ų123.269%0.68766%0.661SS**  trans-108.369156.9-52.8179.6000106.2S93 G97S93-I95 PolarHBondContact O-N 3.27Å; S93-I95 VanDerWaalsContact O-N 3.16Å; I95-G97 VanDerWaalsContact C-N 3.32Å
96N30.5Very low41.8Very low158 Ų158115.4 Ų115.485%0.84563%0.628SS**  trans-93.180.1146.5-82-15.9000104.8
97G27.6Very low43.8Very low43 Ų43108.9 Ų108.944%0.44361%0.606SS.*  trans-120.6120.8170.900000106.9I95 N99I95-G97 VanDerWaalsContact C-N 3.32Å; G97-N99 PolarHBondContact O-N 3.22Å
98D32.4Very low46Very low140 Ų140109.9 Ų109.975%0.74960%0.603SS**  trans-23.7111.4179.3-70.1-47.8000114N100D98-N100 PolarHBondContact O-N 2.77Å
99N39.3Very low47.9Very low135 Ų135110.7 Ų110.772%0.72260%0.595SS**  trans-6673.1167.3-71.49.6000109.1G97 D101G97-N99 PolarHBondContact O-N 3.22Å; N99-D101 PolarHBondContact O-N 3.39Å; N99-D101 VanDerWaalsContact O-N 3.1Å
100N39.2Very low50.5Low118 Ų118103.6 Ų103.663%0.63156%0.557SS**  trans-77.947.6152.8-79.4-22.3000108.6D98 N102D98-N100 PolarHBondContact O-N 2.77Å; N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.91Å
101D49.9Very low53.4Low86 Ų86102.4 Ų102.446%0.4654%0.543SS..  trans-70.895.6173.3-65.3-28.8000105.7N99 F103N99-D101 PolarHBondContact O-N 3.39Å; N99-D101 VanDerWaalsContact O-N 3.1Å; D101-F103 PolarHBondContact O-N 3.43Å
102N67.1Low56.5Low96 Ų9695.7 Ų95.751%0.51351%0.506SS..  trans-65.318.2174.9-72.9-15.4000112.8N100 I121N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.91Å; N102-I121 PolarHBondContact O-N 3.39Å
103F72.6Confident59.6Low46 Ų4690.9 Ų90.920%0.20249%0.485CS..EExtended strand (participates in β ladder)trans-105.5126.9-175.9-61.3-71.4000109.7D101 P105 I121 H123 L143 F228D101-F103 PolarHBondContact O-N 3.43Å; F103-P105 VanDerWaalsContact O-CD 3.28Å; F103-P105 WeakPolarHBondContact O-CD 3.44Å; F103-I121 WeakPolarHBondContact CA-O 3.46Å; F103-I121 HydrophobicContact CD1-CB 3.79Å; F103-I121 HydrophobicContact CD1-CG2 3.81Å; F103-I121 HydrophobicContact CE1-CB 3.93Å; F103-I121 HydrophobicContact CE1-CD1 3.92Å; F103-I121 HydrophobicContact CE1-CG2 3.77Å; F103-I121 HydrophobicContact CZ-CD1 4.44Å; F103-H123 HydrophobicContact CB-CB 4.09Å; F103-H123 HydrophobicContact CD1-CB 4.4Å; F103-L143 HydrophobicContact CD1-CB 4.48Å; F103-L143 HydrophobicContact CD1-CD2 3.85Å; F103-L143 HydrophobicContact CE1-CB 4.3Å; F103-L143 HydrophobicContact CE1-CD2 3.65Å; F103-L143 HydrophobicContact CZ-CD2 4.29Å; F103-F228 HydrophobicContact CE1-CE1 4.23Å; F103-F228 AromaticContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CZ-CZ 4.2Å
104V76Confident62.6Low56 Ų5686.8 Ų86.834%0.33946%0.456SS..EExtended strand (participates in β ladder)trans-99.2102.5168.3-179.50000108I106 Y118 I121 H123V104-I106 HydrophobicContact CG1-CG1 4.45Å; V104-Y118 VanDerWaalsContact CG2-OH 3.3Å; V104-Y118 WeakPolarHBondContact CG2-OH 3.34Å; V104-I121 PolarHBondContact N-O 2.87Å; V104-I121 VanDerWaalsContact N-O 3.14Å; V104-H123 PolarHBondContact O-N 3.46Å
105P76.5Confident65.7Low88 Ų8884.4 Ų84.457%0.57145%0.446SS*.EExtended strand (participates in β ladder)trans-72.1133.9-178.328.8-34.9000111.7F103 H123F103-P105 VanDerWaalsContact O-CD 3.28Å; F103-P105 WeakPolarHBondContact O-CD 3.44Å; P105-H123 CarbonylContact C-O 3.53Å; P105-H123 WeakPolarHBondContact CA-O 3.2Å
106I79.8Confident68.6Low22 Ų2278.4 Ų78.411%0.11342%0.417CS..EExtended strand (participates in β ladder)trans-133.987.6-177.1-56.9173000107.9V104 R111 F112 H123 L124 C125 S126V104-I106 HydrophobicContact CG1-CG1 4.45Å; I106-R111 WeakPolarHBondContact CG2-O 3.47Å; I106-F112 HydrophobicContact CD1-CB 3.49Å; I106-F112 VanDerWaalsContact CD1-CB 3.49Å; I106-F112 HydrophobicContact CD1-CD2 3.15Å; I106-F112 HydrophobicContact CD1-CE2 4.09Å; I106-F112 HydrophobicContact CD1-CG 3.58Å; I106-H123 PolarHBondContact N-O 3.31Å; I106-L124 HydrophobicContact CB-CD2 3.89Å; I106-L124 HydrophobicContact CD1-CD2 3.76Å; I106-L124 HydrophobicContact CG1-CD2 4.33Å; I106-L124 HydrophobicContact CG2-CD2 4.2Å; I106-C125 PolarHBondContact O-N 2.78Å; I106-C125 PolarHBondContact O-SG 2.88Å; I106-C125 VanDerWaalsContact O-SG 3.34Å; I106-S126 PolarHBondContact O-OG 3.01Å
107C72.6Confident71.4Confident58 Ų5876 Ų7639%0.39240%0.404SS..  trans-97.5-29.6-172.3-610000114.2C125 S126C107-C125 WeakPolarHBondContact CA-SG 3.44Å; C107-C125 HydrophobicContact CB-CB 4.16Å; C107-C125 WeakPolarHBondContact CB-SG 3.41Å; C107-C125 PolarHBondContact N-SG 2.77Å; C107-C125 WeakPolarHBondContact SG-CB 3.45Å; C107-C125 CovalentContact SG-SG 2.06Å; C107-C125 PolarHBondContact SG-SG 2.82Å; C107-S126 WeakPolarHBondContact O-CA 3.47Å; C107-S126 WeakPolarHBondContact O-CB 3.35Å; C107-S126 PolarHBondContact O-OG 2.94Å
108K71.3Confident74.3Confident183 Ų18375.9 Ų75.980%0.79639%0.39SS*.SBendtrans-157.1139.1166.7-65.7-168.6-179.9173.30109.7
109P68.1Low76.8Confident88 Ų8874.9 Ų74.957%0.57139%0.39SS*.SBendcis-86.825.19.435.2-37.8000115.5R111P109-R111 VanDerWaalsContact C-N 3.32Å; P109-R111 HydrophobicContact CB-CG 4.29Å; P109-R111 HydrophobicContact CG-CB 4.29Å; P109-R111 HydrophobicContact CG-CG 3.85Å; P109-R111 PolarHBondContact O-N 3.28Å
110G82.8Confident79.1Confident0 Ų071.6 Ų71.60%037%0.372CS..  trans69.830.1-179.900000113.4S126 G129 Y130G110-S126 WeakPolarHBondContact CA-OG 3.41Å; G110-S126 PolarHBondContact N-OG 3.43Å; G110-S126 VanDerWaalsContact N-OG 3.15Å; G110-G129 CarbonylContact O-C 3.6Å; G110-G129 WeakPolarHBondContact O-CA 3.37Å; G110-Y130 PolarHBondContact O-N 3.1Å
111R89.4Confident81.6Confident107 Ų10766.4 Ų66.440%0.40434%0.344SS..EExtended strand (participates in β ladder)trans-114.2119.7-175.7-59.9175.7-168.6-163.12.9109.2Y11 E15 I106 P109 Y130Y11-R111 PolarHBondContact OH-NH1 2.93Å; E15-R111 IonicContact OE1-NH1 2.7Å; I106-R111 WeakPolarHBondContact CG2-O 3.47Å; P109-R111 VanDerWaalsContact C-N 3.32Å; P109-R111 HydrophobicContact CB-CG 4.29Å; P109-R111 HydrophobicContact CG-CB 4.29Å; P109-R111 HydrophobicContact CG-CG 3.85Å; P109-R111 PolarHBondContact O-N 3.28Å; R111-Y130 WeakPolarHBondContact CA-O 3.24Å; R111-Y130 HydrophobicContact CB-CE2 4.11Å; R111-Y130 VanDerWaalsContact CD-OH 3.24Å; R111-Y130 WeakPolarHBondContact CD-OH 3.32Å; R111-Y130 HydrophobicContact CG-CD1 4.46Å; R111-Y130 HydrophobicContact CG-CE1 3.85Å; R111-Y130 HydrophobicContact CG-CE2 3.94Å
112F94.2Very high83.6Confident15 Ų1562.3 Ų62.37%0.06632%0.322CS..EExtended strand (participates in β ladder)trans-117.7130.6169.2-176.4-117.8000109.8I106 C114 Y118 P122 L124 Y130 L131 I132 M140I106-F112 HydrophobicContact CD1-CB 3.49Å; I106-F112 VanDerWaalsContact CD1-CB 3.49Å; I106-F112 HydrophobicContact CD1-CD2 3.15Å; I106-F112 HydrophobicContact CD1-CE2 4.09Å; I106-F112 HydrophobicContact CD1-CG 3.58Å; F112-C114 HydrophobicContact CE1-CB 3.86Å; F112-C114 HydrophobicContact CZ-CB 3.76Å; F112-Y118 HydrophobicContact CE1-CD1 4.48Å; F112-Y118 HydrophobicContact CE1-CE1 4.33Å; F112-Y118 HydrophobicContact CE2-CE1 4.47Å; F112-Y118 HydrophobicContact CE2-CE2 4.26Å; F112-Y118 AromaticContact CE2-CZ 3.96Å; F112-Y118 HydrophobicContact CZ-CD1 4.07Å; F112-Y118 HydrophobicContact CZ-CD2 4.12Å; F112-Y118 AromaticContact CZ-CE1 3.63Å; F112-Y118 HydrophobicContact CZ-CE1 3.63Å; F112-Y118 AromaticContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CG 4.29Å; F112-Y118 AromaticContact CZ-CZ 3.44Å; F112-Y118 VanDerWaalsContact CZ-CZ 3.44Å; F112-P122 HydrophobicContact CD1-CB 3.81Å; F112-P122 HydrophobicContact CD1-CG 3.77Å; F112-P122 HydrophobicContact CD2-CB 4.33Å; F112-P122 HydrophobicContact CE1-CB 3.78Å; F112-P122 HydrophobicContact CE1-CG 3.26Å; F112-P122 HydrophobicContact CE2-CB 4.24Å; F112-P122 HydrophobicContact CE2-CG 4.26Å; F112-P122 HydrophobicContact CG-CB 4.1Å; F112-P122 HydrophobicContact CG-CG 4.48Å; F112-P122 HydrophobicContact CZ-CB 3.99Å; F112-P122 HydrophobicContact CZ-CG 3.54Å; F112-L124 HydrophobicContact CB-CD2 3.92Å; F112-Y130 PolarHBondContact N-O 2.79Å; F112-L131 HydrophobicContact CD1-CD1 3.66Å; F112-L131 HydrophobicContact CD1-CG 3.81Å; F112-L131 HydrophobicContact CE1-CD1 4.28Å; F112-L131 CarbonylContact O-C 3.5Å; F112-L131 WeakPolarHBondContact O-CA 3.22Å; F112-I132 PolarHBondContact O-N 2.87Å; F112-M140 HydrophobicContact CE1-CE 4.36Å; F112-M140 HydrophobicContact CE1-SD 4.31Å
113I93.4Very high84.9Confident52 Ų5259.2 Ų59.227%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-133.2127.5175.4-47.4178.7000109L19 I132 I134L19-I113 HydrophobicContact CD1-CB 4.45Å; L19-I113 HydrophobicContact CD1-CD1 4.47Å; L19-I113 HydrophobicContact CD1-CG2 3.58Å; I113-I132 WeakPolarHBondContact CA-O 3.47Å; I113-I132 HydrophobicContact CD1-CD1 4.48Å; I113-I132 HydrophobicContact CG1-CB 4.22Å; I113-I132 HydrophobicContact CG2-CB 4.12Å; I113-I132 HydrophobicContact CG2-CG2 4.17Å; I113-I134 HydrophobicContact CG2-CD1 4.15Å
114C93.4Very high85.9Confident13 Ų1357 Ų579%0.08830%0.295CS..EExtended strand (participates in β ladder)trans-139.2170174.465.40000111F112 Y118 I132 I134 M140F112-C114 HydrophobicContact CE1-CB 3.86Å; F112-C114 HydrophobicContact CZ-CB 3.76Å; C114-Y118 HydrophobicContact CB-CD2 3.99Å; C114-Y118 HydrophobicContact CB-CG 4.32Å; C114-I132 PolarHBondContact N-O 3.14Å; C114-I134 PolarHBondContact O-N 3.34Å; C114-M140 WeakPolarHBondContact SG-CE 3.44Å
115R92.5Very high86.7Confident134 Ų13454.6 Ų54.651%0.50628%0.281SS..EExtended strand (participates in β ladder)trans-135.7135.2178.5-177.3176.3-174.41610.9111.4L117 I134 E135R115-L117 PolarHBondContact O-N 2.89Å; R115-I134 CarbonylContact C-O 3.55Å; R115-I134 WeakPolarHBondContact CA-O 3.03Å; R115-I134 HydrophobicContact CB-CB 4.06Å; R115-I134 HydrophobicContact CG-CB 4Å; R115-I134 HydrophobicContact CG-CG2 4Å; R115-I134 WeakPolarHBondContact CG-O 3.3Å; R115-E135 IonicContact CZ-OE1 4Å; R115-E135 IonicContact CZ-OE2 2.8Å; R115-E135 IonicContact NE-OE1 3.82Å; R115-E135 IonicContact NE-OE2 2.79Å; R115-E135 PolarHBondContact NE-OE2 2.96Å; R115-E135 IonicContact NH2-OE1 3Å; R115-E135 PolarHBondContact NH2-OE1 2.73Å; R115-E135 IonicContact NH2-OE2 3.71Å; R115-E135 PolarHBondContact NH2-OE2 3.09Å
116G91.3Very high87.4Confident8 Ų850.7 Ų50.78%0.08226%0.255CS..SBendtrans74.5-124.5170.600000112.8W133 I134 E135G116-W133 PolarHBondContact O-NE1 3.05Å; G116-I134 PolarHBondContact N-O 2.86Å; G116-E135 VanDerWaalsContact CA-O 3.23Å; G116-E135 WeakPolarHBondContact CA-O 3.29Å; G116-E135 PolarHBondContact N-O 3.19Å
117L89.3Confident87.8Confident108 Ų10854.7 Ų54.757%0.56527%0.273SS*.  trans-86.3134.7179-53.8173.4000108.7R115 K137 Q138R115-L117 PolarHBondContact O-N 2.89Å; L117-K137 HydrophobicContact CD2-CB 3.45Å; L117-K137 VanDerWaalsContact CD2-CB 3.45Å; L117-K137 HydrophobicContact CG-CB 4.22Å; L117-Q138 HydrophobicContact CB-CG 4.4Å; L117-Q138 HydrophobicContact CD2-CB 3.71Å; L117-Q138 HydrophobicContact CD2-CG 3.74Å; L117-Q138 VanDerWaalsContact CD2-OE1 3.27Å
118Y88.4Confident88.6Confident40 Ų4055.5 Ų55.516%0.15728%0.277CS..  trans-141.7109.7177.4-171.5-95.9000108.8V104 F112 C114 D120 P122 Q138 M140V104-Y118 VanDerWaalsContact CG2-OH 3.3Å; V104-Y118 WeakPolarHBondContact CG2-OH 3.34Å; F112-Y118 HydrophobicContact CE1-CD1 4.48Å; F112-Y118 HydrophobicContact CE1-CE1 4.33Å; F112-Y118 HydrophobicContact CE2-CE1 4.47Å; F112-Y118 HydrophobicContact CE2-CE2 4.26Å; F112-Y118 AromaticContact CE2-CZ 3.96Å; F112-Y118 HydrophobicContact CZ-CD1 4.07Å; F112-Y118 HydrophobicContact CZ-CD2 4.12Å; F112-Y118 AromaticContact CZ-CE1 3.63Å; F112-Y118 HydrophobicContact CZ-CE1 3.63Å; F112-Y118 AromaticContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CG 4.29Å; F112-Y118 AromaticContact CZ-CZ 3.44Å; F112-Y118 VanDerWaalsContact CZ-CZ 3.44Å; C114-Y118 HydrophobicContact CB-CD2 3.99Å; C114-Y118 HydrophobicContact CB-CG 4.32Å; Y118-D120 WeakPolarHBondContact CD1-O 3.36Å; Y118-D120 HydrophobicContact CE1-CB 3.82Å; Y118-D120 WeakPolarHBondContact CE1-O 3.44Å; Y118-P122 HydrophobicContact CD1-CG 4.03Å; Y118-P122 HydrophobicContact CE1-CG 3.54Å; Y118-Q138 VanDerWaalsContact N-NE2 3.16Å; Y118-Q138 PolarHBondContact O-NE2 2.89Å; Y118-M140 HydrophobicContact CD1-CE 4.04Å; Y118-M140 HydrophobicContact CD1-CG 4.4Å; Y118-M140 HydrophobicContact CG-CE 4.05Å
119T85.2Confident89.6Confident120 Ų12047.5 Ų47.574%0.73625%0.246SC*.  trans-91.6-24.4-168.447.80000113.9
120D88.7Confident90.7Very high65 Ų6545 Ų4535%0.34823%0.226SC..SBendtrans-79.3172.6177.5-52.3-33.8000110.2Y118Y118-D120 WeakPolarHBondContact CD1-O 3.36Å; Y118-D120 HydrophobicContact CE1-CB 3.82Å; Y118-D120 WeakPolarHBondContact CE1-O 3.44Å
121I91.1Very high91.2Very high9 Ų945 Ų455%0.04623%0.226CC..EExtended strand (participates in β ladder)trans-104110.9177.9-56.8179.2000108N102 F103 V104 H123 H141 L143 F180 F228N102-I121 PolarHBondContact O-N 3.39Å; F103-I121 WeakPolarHBondContact CA-O 3.46Å; F103-I121 HydrophobicContact CD1-CB 3.79Å; F103-I121 HydrophobicContact CD1-CG2 3.81Å; F103-I121 HydrophobicContact CE1-CB 3.93Å; F103-I121 HydrophobicContact CE1-CD1 3.92Å; F103-I121 HydrophobicContact CE1-CG2 3.77Å; F103-I121 HydrophobicContact CZ-CD1 4.44Å; V104-I121 PolarHBondContact N-O 2.87Å; V104-I121 VanDerWaalsContact N-O 3.14Å; I121-H123 PolarHBondContact O-N 3.23Å; I121-H141 HydrophobicContact CG1-CB 4.3Å; I121-L143 HydrophobicContact CG2-CB 4Å; I121-F180 HydrophobicContact CD1-CB 3.33Å; I121-F180 HydrophobicContact CD1-CD1 3.66Å; I121-F180 HydrophobicContact CD1-CD2 4.24Å; I121-F180 HydrophobicContact CD1-CG 3.48Å; I121-F180 VanDerWaalsContact CD1-CG 3.48Å; I121-F228 HydrophobicContact CD1-CE1 4.32Å; I121-F228 HydrophobicContact CG2-CE1 4.13Å
122P92.3Very high91.5Very high0 Ų040.3 Ų40.30%021%0.209CC..EExtended strand (participates in β ladder)trans-62.1127.1170.5-15.731.2000108.7F112 Y118 M140 H141 V142 L143F112-P122 HydrophobicContact CD1-CB 3.81Å; F112-P122 HydrophobicContact CD1-CG 3.77Å; F112-P122 HydrophobicContact CD2-CB 4.33Å; F112-P122 HydrophobicContact CE1-CB 3.78Å; F112-P122 HydrophobicContact CE1-CG 3.26Å; F112-P122 HydrophobicContact CE2-CB 4.24Å; F112-P122 HydrophobicContact CE2-CG 4.26Å; F112-P122 HydrophobicContact CG-CB 4.1Å; F112-P122 HydrophobicContact CG-CG 4.48Å; F112-P122 HydrophobicContact CZ-CB 3.99Å; F112-P122 HydrophobicContact CZ-CG 3.54Å; Y118-P122 HydrophobicContact CD1-CG 4.03Å; Y118-P122 HydrophobicContact CE1-CG 3.54Å; P122-M140 HydrophobicContact CG-CG 4.46Å; P122-M140 HydrophobicContact CG-SD 4.07Å; P122-H141 WeakPolarHBondContact CD-O 3.4Å; P122-V142 HydrophobicContact CB-CG1 4.43Å; P122-V142 HydrophobicContact CG-CG2 4.36Å; P122-L143 PolarHBondContact O-N 3.33Å
123H92.9Very high91.5Very high31 Ų3139.6 Ų39.614%0.14421%0.205CC..EExtended strand (participates in β ladder)trans-105.8104.3176.7173.9-151000109.2F103 V104 P105 I106 I121 L143 T145F103-H123 HydrophobicContact CB-CB 4.09Å; F103-H123 HydrophobicContact CD1-CB 4.4Å; V104-H123 PolarHBondContact O-N 3.46Å; P105-H123 CarbonylContact C-O 3.53Å; P105-H123 WeakPolarHBondContact CA-O 3.2Å; I106-H123 PolarHBondContact N-O 3.31Å; I121-H123 PolarHBondContact O-N 3.23Å; H123-L143 CarbonylContact C-O 3.56Å; H123-L143 WeakPolarHBondContact CA-O 3.45Å; H123-T145 WeakPolarHBondContact NE2-CG2 3.45Å; H123-T145 PolarHBondContact NE2-OG1 2.96Å
124L94.4Very high91.5Very high0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-99.198.9-174-57.8-178.3000109.8I106 F112 L131 V142 L143 F144 T145 F254I106-L124 HydrophobicContact CB-CD2 3.89Å; I106-L124 HydrophobicContact CD1-CD2 3.76Å; I106-L124 HydrophobicContact CG1-CD2 4.33Å; I106-L124 HydrophobicContact CG2-CD2 4.2Å; F112-L124 HydrophobicContact CB-CD2 3.92Å; L124-L131 HydrophobicContact CD1-CB 4.47Å; L124-L131 HydrophobicContact CD1-CD1 4.41Å; L124-V142 HydrophobicContact CD1-CG1 3.62Å; L124-V142 HydrophobicContact CG-CG1 3.97Å; L124-L143 PolarHBondContact N-O 2.99Å; L124-F144 HydrophobicContact CB-CD1 3.61Å; L124-F144 HydrophobicContact CB-CE1 3.64Å; L124-F144 HydrophobicContact CB-CG 4.49Å; L124-F144 HydrophobicContact CD1-CD1 4.31Å; L124-F144 HydrophobicContact CD1-CE1 3.48Å; L124-F144 VanDerWaalsContact CD1-CE1 3.48Å; L124-F144 HydrophobicContact CD1-CZ 3.73Å; L124-F144 HydrophobicContact CG-CE1 4.13Å; L124-F144 WeakPolarHBondContact O-CA 3.35Å; L124-T145 PolarHBondContact O-N 3.1Å; L124-F254 HydrophobicContact CB-CE1 4.37Å; L124-F254 HydrophobicContact CB-CE2 4.31Å; L124-F254 HydrophobicContact CB-CZ 3.96Å; L124-F254 HydrophobicContact CD1-CD1 4.07Å; L124-F254 HydrophobicContact CD1-CE1 3.69Å; L124-F254 HydrophobicContact CD1-CZ 4.16Å; L124-F254 HydrophobicContact CD2-CE1 4.5Å; L124-F254 HydrophobicContact CG-CE1 4.41Å; L124-F254 HydrophobicContact CG-CZ 4.43Å
125C92.5Very high91.4Very high6 Ų642.1 Ų42.14%0.04122%0.215CC..  trans-99.8-3.3-175.732.30000114.4I106 C107 T145 G147I106-C125 PolarHBondContact O-N 2.78Å; I106-C125 PolarHBondContact O-SG 2.88Å; I106-C125 VanDerWaalsContact O-SG 3.34Å; C107-C125 WeakPolarHBondContact CA-SG 3.44Å; C107-C125 HydrophobicContact CB-CB 4.16Å; C107-C125 WeakPolarHBondContact CB-SG 3.41Å; C107-C125 PolarHBondContact N-SG 2.77Å; C107-C125 WeakPolarHBondContact SG-CB 3.45Å; C107-C125 CovalentContact SG-SG 2.06Å; C107-C125 PolarHBondContact SG-SG 2.82Å; C125-T145 VanDerWaalsContact CA-O 3.25Å; C125-T145 WeakPolarHBondContact CA-O 3.36Å; C125-G147 PolarHBondContact O-N 3.07Å; C125-G147 VanDerWaalsContact O-N 3.13Å
126S90.9Very high91.3Very high6 Ų637.2 Ų37.24%0.04220%0.201CC..SBendtrans-73.3147.3-179.5-56.50000113.1I106 C107 G110 T128 F254 L256I106-S126 PolarHBondContact O-OG 3.01Å; C107-S126 WeakPolarHBondContact O-CA 3.47Å; C107-S126 WeakPolarHBondContact O-CB 3.35Å; C107-S126 PolarHBondContact O-OG 2.94Å; G110-S126 WeakPolarHBondContact CA-OG 3.41Å; G110-S126 PolarHBondContact N-OG 3.43Å; G110-S126 VanDerWaalsContact N-OG 3.15Å; S126-T128 WeakPolarHBondContact CB-O 3.24Å; S126-T128 PolarHBondContact O-N 2.96Å; S126-F254 WeakPolarHBondContact O-CE2 3.32Å; S126-L256 VanDerWaalsContact O-CD1 3.26Å; S126-L256 WeakPolarHBondContact O-CD1 3.38Å; S126-L256 WeakPolarHBondContact O-CG 3.09Å
127E89.3Confident91.3Very high105 Ų10543.7 Ų43.749%0.49123%0.226SC..SBendtrans-61-32.8171.6-57.5-176.5156.800113Y146 R255 L256E127-Y146 VanDerWaalsContact CD-OH 3.24Å; E127-Y146 HydrophobicContact CG-CE1 4.21Å; E127-Y146 HydrophobicContact CG-CE2 4.27Å; E127-Y146 WeakPolarHBondContact CG-OH 3.18Å; E127-Y146 PolarHBondContact OE1-OH 3.49Å; E127-R255 CarbonylContact O-C 3.54Å; E127-R255 VanDerWaalsContact O-CA 3.27Å; E127-R255 WeakPolarHBondContact O-CA 3.47Å; E127-L256 PolarHBondContact O-N 3.17Å
128T89.3Confident91.3Very high75 Ų7541.3 Ų41.346%0.4621%0.212SC..EExtended strand (participates in β ladder)trans-143.8150.117753.40000110.1S126 R255S126-T128 WeakPolarHBondContact CB-O 3.24Å; S126-T128 PolarHBondContact O-N 2.96Å; T128-R255 HydrophobicContact CG2-CB 4.18Å; T128-R255 HydrophobicContact CG2-CG 3.83Å
129G91.3Very high91.5Very high15 Ų1542 Ų4216%0.15522%0.221CC..EExtended strand (participates in β ladder)trans175.8-169.2179.400000114.6G110 F254G110-G129 CarbonylContact O-C 3.6Å; G110-G129 WeakPolarHBondContact O-CA 3.37Å; G129-F254 VanDerWaalsContact C-CD1 3.44Å; G129-F254 VanDerWaalsContact CA-CE1 3.49Å; G129-F254 VanDerWaalsContact CA-CZ 3.48Å; G129-F254 PolarHBondContact N-O 3.1Å; G129-F254 WeakPolarHBondContact O-CD1 3.36Å; G129-F254 PolarHBondContact O-N 3.24Å
130Y91.9Very high92Very high36 Ų3636.3 Ų36.314%0.14119%0.186CC..EExtended strand (participates in β ladder)trans-147150.7172.858-102.1000112.4E15 G110 R111 F112 I132 L252 F254E15-Y130 PolarHBondContact OE1-OH 2.79Å; G110-Y130 PolarHBondContact O-N 3.1Å; R111-Y130 WeakPolarHBondContact CA-O 3.24Å; R111-Y130 HydrophobicContact CB-CE2 4.11Å; R111-Y130 VanDerWaalsContact CD-OH 3.24Å; R111-Y130 WeakPolarHBondContact CD-OH 3.32Å; R111-Y130 HydrophobicContact CG-CD1 4.46Å; R111-Y130 HydrophobicContact CG-CE1 3.85Å; R111-Y130 HydrophobicContact CG-CE2 3.94Å; F112-Y130 PolarHBondContact N-O 2.79Å; Y130-I132 HydrophobicContact CD2-CD1 3.79Å; Y130-I132 HydrophobicContact CD2-CG1 3.78Å; Y130-I132 HydrophobicContact CE2-CD1 3.59Å; Y130-I132 HydrophobicContact CE2-CG1 4.09Å; Y130-L252 CarbonylContact C-O 3.47Å; Y130-L252 VanDerWaalsContact CA-O 3.25Å; Y130-L252 WeakPolarHBondContact CA-O 3.27Å; Y130-F254 VanDerWaalsContact N-CE1 3.28Å
131L94.5Very high92.2Very high0 Ų034.2 Ų34.20%017%0.174CC..EExtended strand (participates in β ladder)trans-108.5126.7167.4176151.7000108.6F112 L124 W133 M140 V142 L231 F250 K251 L252F112-L131 HydrophobicContact CD1-CD1 3.66Å; F112-L131 HydrophobicContact CD1-CG 3.81Å; F112-L131 HydrophobicContact CE1-CD1 4.28Å; F112-L131 CarbonylContact O-C 3.5Å; F112-L131 WeakPolarHBondContact O-CA 3.22Å; L124-L131 HydrophobicContact CD1-CB 4.47Å; L124-L131 HydrophobicContact CD1-CD1 4.41Å; L131-W133 HydrophobicContact CD2-CB 4.08Å; L131-M140 HydrophobicContact CD1-SD 4.05Å; L131-V142 HydrophobicContact CD1-CG1 4.46Å; L131-V142 HydrophobicContact CD1-CG2 3.86Å; L131-L231 HydrophobicContact CD1-CD1 4.22Å; L131-L231 HydrophobicContact CD2-CD1 3.99Å; L131-F250 HydrophobicContact CD2-CD1 4.31Å; L131-F250 HydrophobicContact CD2-CE1 4.41Å; L131-K251 WeakPolarHBondContact O-CA 3.35Å; L131-L252 HydrophobicContact CB-CB 4.33Å; L131-L252 PolarHBondContact N-O 2.87Å; L131-L252 PolarHBondContact O-N 3.03Å
132I94.4Very high92.4Very high9 Ų933.8 Ų33.85%0.04617%0.172CC..EExtended strand (participates in β ladder)trans-113.7120.7171.8-64.9171000108.9L12 F112 I113 C114 Y130 I134 P249 F250 K251L12-I132 HydrophobicContact CD2-CD1 4.06Å; F112-I132 PolarHBondContact O-N 2.87Å; I113-I132 WeakPolarHBondContact CA-O 3.47Å; I113-I132 HydrophobicContact CD1-CD1 4.48Å; I113-I132 HydrophobicContact CG1-CB 4.22Å; I113-I132 HydrophobicContact CG2-CB 4.12Å; I113-I132 HydrophobicContact CG2-CG2 4.17Å; C114-I132 PolarHBondContact N-O 3.14Å; Y130-I132 HydrophobicContact CD2-CD1 3.79Å; Y130-I132 HydrophobicContact CD2-CG1 3.78Å; Y130-I132 HydrophobicContact CE2-CD1 3.59Å; Y130-I132 HydrophobicContact CE2-CG1 4.09Å; I132-I134 HydrophobicContact CG2-CG1 4.06Å; I132-P249 HydrophobicContact CG2-CB 3.7Å; I132-F250 CarbonylContact C-O 3.55Å; I132-F250 WeakPolarHBondContact CA-O 3.48Å; I132-K251 HydrophobicContact CG1-CB 4.37Å; I132-K251 HydrophobicContact CG1-CD 4.26Å; I132-K251 HydrophobicContact CG1-CG 4.16Å
133W94.7Very high92.5Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-114.9106.7176.8-167.39.6000110.6G116 L131 P136 Q138 M140 L231 V233 F250G116-W133 PolarHBondContact O-NE1 3.05Å; L131-W133 HydrophobicContact CD2-CB 4.08Å; W133-P136 HydrophobicContact CD2-CB 3.31Å; W133-P136 VanDerWaalsContact CE2-CB 3.44Å; W133-P136 HydrophobicContact CE3-CB 3.55Å; W133-P136 HydrophobicContact CG-CB 3.79Å; W133-P136 HydrophobicContact CH2-CB 4.14Å; W133-P136 HydrophobicContact CZ2-CB 3.88Å; W133-P136 HydrophobicContact CZ3-CB 3.95Å; W133-Q138 WeakPolarHBondContact CH2-O 3.46Å; W133-Q138 HydrophobicContact CZ2-CG 4.31Å; W133-M140 HydrophobicContact CD2-CE 3.63Å; W133-M140 HydrophobicContact CE3-CE 4.1Å; W133-M140 HydrophobicContact CE3-SD 4.49Å; W133-M140 HydrophobicContact CG-CE 3.97Å; W133-M140 HydrophobicContact CH2-CB 3.54Å; W133-M140 HydrophobicContact CH2-CE 4.23Å; W133-M140 HydrophobicContact CZ2-CB 4.12Å; W133-M140 HydrophobicContact CZ2-CE 3.86Å; W133-M140 HydrophobicContact CZ3-CB 3.81Å; W133-M140 HydrophobicContact CZ3-CE 4.38Å; W133-L231 HydrophobicContact CE3-CB 4.42Å; W133-L231 HydrophobicContact CE3-CD1 4.41Å; W133-L231 HydrophobicContact CZ3-CB 3.84Å; W133-V233 HydrophobicContact CH2-CG2 4.24Å; W133-V233 HydrophobicContact CZ3-CG2 4.36Å; W133-F250 HydrophobicContact CB-CB 4.33Å; W133-F250 HydrophobicContact CB-CD1 4.31Å; W133-F250 PolarHBondContact N-O 3.25Å; W133-F250 PolarHBondContact O-N 2.98Å
134I92.9Very high92.5Very high20 Ų2032.7 Ų32.710%0.10317%0.167CC..EExtended strand (participates in β ladder)trans-84.8127.8-178-56.3173.9000109I16 L19 I113 C114 R115 G116 I132 P249I16-I134 HydrophobicContact CG1-CD1 4.41Å; L19-I134 HydrophobicContact CD1-CD1 3.89Å; I113-I134 HydrophobicContact CG2-CD1 4.15Å; C114-I134 PolarHBondContact O-N 3.34Å; R115-I134 CarbonylContact C-O 3.55Å; R115-I134 WeakPolarHBondContact CA-O 3.03Å; R115-I134 HydrophobicContact CB-CB 4.06Å; R115-I134 HydrophobicContact CG-CB 4Å; R115-I134 HydrophobicContact CG-CG2 4Å; R115-I134 WeakPolarHBondContact CG-O 3.3Å; G116-I134 PolarHBondContact N-O 2.86Å; I132-I134 HydrophobicContact CG2-CG1 4.06Å; I134-P249 HydrophobicContact CB-CB 4.48Å; I134-P249 HydrophobicContact CG1-CB 3.92Å; I134-P249 HydrophobicContact CG1-CG 3.95Å
135E90.9Very high92.4Very high98 Ų9833.5 Ų33.546%0.45817%0.172SC..SBendtrans49.661.7178.9-63.8172.617200112.3R115 G116 K137R115-E135 IonicContact CZ-OE1 4Å; R115-E135 IonicContact CZ-OE2 2.8Å; R115-E135 IonicContact NE-OE1 3.82Å; R115-E135 IonicContact NE-OE2 2.79Å; R115-E135 PolarHBondContact NE-OE2 2.96Å; R115-E135 IonicContact NH2-OE1 3Å; R115-E135 PolarHBondContact NH2-OE1 2.73Å; R115-E135 IonicContact NH2-OE2 3.71Å; R115-E135 PolarHBondContact NH2-OE2 3.09Å; G116-E135 VanDerWaalsContact CA-O 3.23Å; G116-E135 WeakPolarHBondContact CA-O 3.29Å; G116-E135 PolarHBondContact N-O 3.19Å; E135-K137 WeakPolarHBondContact O-CG 3.44Å; E135-K137 PolarHBondContact O-N 3.36Å
136P91.8Very high92.3Very high31 Ų3134.8 Ų34.820%0.20118%0.176CC..  trans-64.5135.6-174.734.8-40.7000110.2W133 V164 V233W133-P136 HydrophobicContact CD2-CB 3.31Å; W133-P136 VanDerWaalsContact CE2-CB 3.44Å; W133-P136 HydrophobicContact CE3-CB 3.55Å; W133-P136 HydrophobicContact CG-CB 3.79Å; W133-P136 HydrophobicContact CH2-CB 4.14Å; W133-P136 HydrophobicContact CZ2-CB 3.88Å; W133-P136 HydrophobicContact CZ3-CB 3.95Å; P136-V164 HydrophobicContact CB-CG2 4.4Å; P136-V164 HydrophobicContact CG-CG2 4.06Å; P136-V233 HydrophobicContact CB-CG2 3.48Å; P136-V233 VanDerWaalsContact CB-CG2 3.48Å; P136-V233 HydrophobicContact CG-CG2 3.93Å
137K90Very high92Very high143 Ų14335.7 Ų35.762%0.62219%0.187SC*.  trans-128.8-8.2-171.1-77.6-176.4-177.8-175.30115.9L117 E135L117-K137 HydrophobicContact CD2-CB 3.45Å; L117-K137 VanDerWaalsContact CD2-CB 3.45Å; L117-K137 HydrophobicContact CG-CB 4.22Å; E135-K137 WeakPolarHBondContact O-CG 3.44Å; E135-K137 PolarHBondContact O-N 3.36Å
138Q90.1Very high91.8Very high58 Ų5837.7 Ų37.727%0.27120%0.2SC..SBendtrans-148-166.4-177.263.3174.13800110.6L117 Y118 W133 V233L117-Q138 HydrophobicContact CB-CG 4.4Å; L117-Q138 HydrophobicContact CD2-CB 3.71Å; L117-Q138 HydrophobicContact CD2-CG 3.74Å; L117-Q138 VanDerWaalsContact CD2-OE1 3.27Å; Y118-Q138 VanDerWaalsContact N-NE2 3.16Å; Y118-Q138 PolarHBondContact O-NE2 2.89Å; W133-Q138 WeakPolarHBondContact CH2-O 3.46Å; W133-Q138 HydrophobicContact CZ2-CG 4.31Å; Q138-V233 VanDerWaalsContact O-CG2 3.3Å; Q138-V233 WeakPolarHBondContact O-CG2 3.24Å
139T93.1Very high91.6Very high54 Ų5437 Ų3733%0.33120%0.196SC..EExtended strand (participates in β ladder)trans-84.4142.6165.9-59.70000110.1E230 L231 N232T139-E230 HydrophobicContact CG2-CG 3.36Å; T139-L231 CarbonylContact C-O 3.59Å; T139-L231 VanDerWaalsContact CA-O 3.32Å; T139-L231 WeakPolarHBondContact CA-O 3.45Å; T139-N232 WeakPolarHBondContact CB-OD1 3.26Å; T139-N232 WeakPolarHBondContact CG2-OD1 3.43Å; T139-N232 PolarHBondContact OG1-OD1 3.15Å
140M94.3Very high91.4Very high2 Ų242.5 Ų42.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-129.7127.9173.1176.1-167.8-67.300109.4F112 C114 Y118 P122 L131 W133 V142 L231F112-M140 HydrophobicContact CE1-CE 4.36Å; F112-M140 HydrophobicContact CE1-SD 4.31Å; C114-M140 WeakPolarHBondContact SG-CE 3.44Å; Y118-M140 HydrophobicContact CD1-CE 4.04Å; Y118-M140 HydrophobicContact CD1-CG 4.4Å; Y118-M140 HydrophobicContact CG-CE 4.05Å; P122-M140 HydrophobicContact CG-CG 4.46Å; P122-M140 HydrophobicContact CG-SD 4.07Å; L131-M140 HydrophobicContact CD1-SD 4.05Å; W133-M140 HydrophobicContact CD2-CE 3.63Å; W133-M140 HydrophobicContact CE3-CE 4.1Å; W133-M140 HydrophobicContact CE3-SD 4.49Å; W133-M140 HydrophobicContact CG-CE 3.97Å; W133-M140 HydrophobicContact CH2-CB 3.54Å; W133-M140 HydrophobicContact CH2-CE 4.23Å; W133-M140 HydrophobicContact CZ2-CB 4.12Å; W133-M140 HydrophobicContact CZ2-CE 3.86Å; W133-M140 HydrophobicContact CZ3-CB 3.81Å; W133-M140 HydrophobicContact CZ3-CE 4.38Å; M140-V142 HydrophobicContact CG-CG2 4.12Å; M140-V142 HydrophobicContact SD-CG2 4.06Å; M140-L231 HydrophobicContact CB-CB 4.31Å; M140-L231 PolarHBondContact N-O 3.22Å; M140-L231 WeakPolarHBondContact O-CB 3.31Å; M140-L231 PolarHBondContact O-N 3.41Å; M140-L231 HydrophobicContact SD-CD1 4.12Å
141H93.8Very high91.3Very high21 Ų2142.1 Ų42.110%0.09723%0.225CC..EExtended strand (participates in β ladder)trans-91.4142.4170.6-58.5107.6000109.8I121 P122 F180 E182 I229 E230I121-H141 HydrophobicContact CG1-CB 4.3Å; P122-H141 WeakPolarHBondContact CD-O 3.4Å; H141-F180 HydrophobicContact CB-CE1 4.32Å; H141-F180 HydrophobicContact CB-CZ 4.2Å; H141-F180 AromaticContact CD2-CZ 3.69Å; H141-F180 AromaticContact CE1-CE1 3.82Å; H141-F180 AromaticContact CG-CE1 3.72Å; H141-F180 AromaticContact CG-CZ 3.63Å; H141-F180 AromaticContact ND1-CE1 3.55Å; H141-F180 AromaticContact ND1-CZ 3.91Å; H141-F180 AromaticContact NE2-CZ 3.93Å; H141-E182 IonicContact CE1-OE1 3.06Å; H141-E182 PolarHBondContact CE1-OE1 3Å; H141-I229 CarbonylContact C-O 3.6Å; H141-I229 WeakPolarHBondContact CA-O 3.04Å; H141-E230 IonicContact CD2-OE2 3.99Å; H141-E230 IonicContact NE2-OE2 3.36Å; H141-E230 PolarHBondContact NE2-OE2 2.97Å
142V94.8Very high91.1Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-134.1131.9-179.4-176.10000108.6P122 L124 L131 M140 F144 F228 I229 L231P122-V142 HydrophobicContact CB-CG1 4.43Å; P122-V142 HydrophobicContact CG-CG2 4.36Å; L124-V142 HydrophobicContact CD1-CG1 3.62Å; L124-V142 HydrophobicContact CG-CG1 3.97Å; L131-V142 HydrophobicContact CD1-CG1 4.46Å; L131-V142 HydrophobicContact CD1-CG2 3.86Å; M140-V142 HydrophobicContact CG-CG2 4.12Å; M140-V142 HydrophobicContact SD-CG2 4.06Å; V142-F144 HydrophobicContact CB-CE2 4.41Å; V142-F144 HydrophobicContact CG1-CD2 4.41Å; V142-F144 HydrophobicContact CG1-CE2 3.8Å; V142-F144 HydrophobicContact CG1-CZ 3.94Å; V142-F228 WeakPolarHBondContact O-CA 3.23Å; V142-I229 HydrophobicContact CB-CD1 4.25Å; V142-I229 HydrophobicContact CB-CG1 3.74Å; V142-I229 HydrophobicContact CG2-CG1 4.37Å; V142-I229 PolarHBondContact N-O 3.14Å; V142-I229 PolarHBondContact O-N 2.82Å; V142-L231 HydrophobicContact CG2-CD1 3.95Å; V142-L231 HydrophobicContact CG2-CG 4.33Å
143L94Very high90.9Very high7 Ų746.6 Ų46.64%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-104.1133.8176168.160.9000109.8F103 I121 P122 H123 L124 T145 Q226 F228F103-L143 HydrophobicContact CD1-CB 4.48Å; F103-L143 HydrophobicContact CD1-CD2 3.85Å; F103-L143 HydrophobicContact CE1-CB 4.3Å; F103-L143 HydrophobicContact CE1-CD2 3.65Å; F103-L143 HydrophobicContact CZ-CD2 4.29Å; I121-L143 HydrophobicContact CG2-CB 4Å; P122-L143 PolarHBondContact O-N 3.33Å; H123-L143 CarbonylContact C-O 3.56Å; H123-L143 WeakPolarHBondContact CA-O 3.45Å; L124-L143 PolarHBondContact N-O 2.99Å; L143-T145 HydrophobicContact CD1-CG2 4.13Å; L143-T145 HydrophobicContact CD2-CG2 4.47Å; L143-T145 HydrophobicContact CG-CG2 4.31Å; L143-Q226 HydrophobicContact CD1-CB 4Å; L143-Q226 HydrophobicContact CD1-CG 4.17Å; L143-F228 HydrophobicContact CB-CD1 4.16Å; L143-F228 HydrophobicContact CB-CE1 3.75Å; L143-F228 HydrophobicContact CB-CE2 4.4Å; L143-F228 HydrophobicContact CB-CZ 3.88Å; L143-F228 HydrophobicContact CD1-CD2 3.73Å; L143-F228 HydrophobicContact CD1-CE1 4.37Å; L143-F228 HydrophobicContact CD1-CE2 3.47Å; L143-F228 VanDerWaalsContact CD1-CE2 3.47Å; L143-F228 HydrophobicContact CD1-CG 4.31Å; L143-F228 HydrophobicContact CD1-CZ 3.82Å; L143-F228 HydrophobicContact CD2-CE2 4.34Å; L143-F228 HydrophobicContact CD2-CZ 4Å; L143-F228 HydrophobicContact CG-CE1 4.45Å; L143-F228 HydrophobicContact CG-CE2 4.25Å; L143-F228 HydrophobicContact CG-CZ 4.08Å
144F93.9Very high90.6Very high0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-112138.8167.3-62.2-89.6000110.6L124 V142 F153 L157 C227 I229 F254 L256L124-F144 HydrophobicContact CB-CD1 3.61Å; L124-F144 HydrophobicContact CB-CE1 3.64Å; L124-F144 HydrophobicContact CB-CG 4.49Å; L124-F144 HydrophobicContact CD1-CD1 4.31Å; L124-F144 HydrophobicContact CD1-CE1 3.48Å; L124-F144 VanDerWaalsContact CD1-CE1 3.48Å; L124-F144 HydrophobicContact CD1-CZ 3.73Å; L124-F144 HydrophobicContact CG-CE1 4.13Å; L124-F144 WeakPolarHBondContact O-CA 3.35Å; V142-F144 HydrophobicContact CB-CE2 4.41Å; V142-F144 HydrophobicContact CG1-CD2 4.41Å; V142-F144 HydrophobicContact CG1-CE2 3.8Å; V142-F144 HydrophobicContact CG1-CZ 3.94Å; F144-F153 HydrophobicContact CB-CE2 4.19Å; F144-F153 HydrophobicContact CB-CZ 4.07Å; F144-F153 WeakPolarHBondContact O-CZ 3.49Å; F144-L157 HydrophobicContact CE1-CD2 4.39Å; F144-L157 HydrophobicContact CE2-CD2 4.01Å; F144-L157 HydrophobicContact CZ-CD2 3.71Å; F144-C227 HydrophobicContact CB-CB 4.2Å; F144-C227 PolarHBondContact N-O 2.79Å; F144-C227 PolarHBondContact O-N 3.04Å; F144-I229 HydrophobicContact CE2-CD1 3.68Å; F144-I229 HydrophobicContact CE2-CG1 3.89Å; F144-I229 HydrophobicContact CZ-CD1 4.27Å; F144-F254 HydrophobicContact CD1-CD2 4.13Å; F144-F254 HydrophobicContact CD1-CE2 4.49Å; F144-F254 HydrophobicContact CD1-CG 4.39Å; F144-F254 HydrophobicContact CE1-CB 3.81Å; F144-F254 AromaticContact CE1-CD1 3.92Å; F144-F254 HydrophobicContact CE1-CD1 3.92Å; F144-F254 AromaticContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CE1 4.4Å; F144-F254 HydrophobicContact CE1-CE2 4.22Å; F144-F254 AromaticContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CZ-CB 4.27Å; F144-F254 HydrophobicContact CZ-CG 4.35Å; F144-L256 HydrophobicContact CB-CD2 4.23Å; F144-L256 HydrophobicContact CD1-CD2 3.91Å; F144-L256 HydrophobicContact CG-CD2 4.33Å
145T92.8Very high90.5Very high18 Ų1847.7 Ų47.711%0.1125%0.254CS..  trans-136.6155.5165.465.70000109.2H123 L124 C125 L143 G147 Q226 L256H123-T145 WeakPolarHBondContact NE2-CG2 3.45Å; H123-T145 PolarHBondContact NE2-OG1 2.96Å; L124-T145 PolarHBondContact O-N 3.1Å; C125-T145 VanDerWaalsContact CA-O 3.25Å; C125-T145 WeakPolarHBondContact CA-O 3.36Å; L143-T145 HydrophobicContact CD1-CG2 4.13Å; L143-T145 HydrophobicContact CD2-CG2 4.47Å; L143-T145 HydrophobicContact CG-CG2 4.31Å; T145-G147 PolarHBondContact O-N 2.96Å; T145-G147 PolarHBondContact OG1-O 3.22Å; T145-Q226 HydrophobicContact CG2-CG 4.2Å; T145-L256 WeakPolarHBondContact O-CD1 3.36Å
146Y90.2Very high90.4Very high33 Ų3344.5 Ų44.513%0.12924%0.238CC..  trans-88.384.9174.1-160.5-74000110.3E127 D148 T149 F153 L256 L258E127-Y146 VanDerWaalsContact CD-OH 3.24Å; E127-Y146 HydrophobicContact CG-CE1 4.21Å; E127-Y146 HydrophobicContact CG-CE2 4.27Å; E127-Y146 WeakPolarHBondContact CG-OH 3.18Å; E127-Y146 PolarHBondContact OE1-OH 3.49Å; Y146-D148 PolarHBondContact O-N 2.86Å; Y146-T149 HydrophobicContact CD1-CG2 3.93Å; Y146-T149 WeakPolarHBondContact O-CB 3.03Å; Y146-T149 WeakPolarHBondContact O-CG2 3.08Å; Y146-T149 PolarHBondContact O-N 3.3Å; Y146-T149 VanDerWaalsContact O-N 3.15Å; Y146-T149 PolarHBondContact O-OG1 3.17Å; Y146-F153 HydrophobicContact CD2-CB 3.95Å; Y146-F153 HydrophobicContact CD2-CG 4.33Å; Y146-F153 HydrophobicContact CG-CB 4.42Å; Y146-L256 HydrophobicContact CD2-CB 3.6Å; Y146-L256 HydrophobicContact CE2-CB 3.95Å; Y146-L258 HydrophobicContact CD1-CD1 3.59Å; Y146-L258 HydrophobicContact CD1-CD2 3.93Å; Y146-L258 HydrophobicContact CD1-CG 3.63Å; Y146-L258 HydrophobicContact CD2-CD2 4.1Å; Y146-L258 HydrophobicContact CD2-CG 3.74Å; Y146-L258 HydrophobicContact CE1-CD1 3.32Å; Y146-L258 HydrophobicContact CE1-CD2 4.4Å; Y146-L258 HydrophobicContact CE1-CG 3.6Å; Y146-L258 HydrophobicContact CE2-CB 4.41Å; Y146-L258 HydrophobicContact CE2-CD1 4.3Å; Y146-L258 HydrophobicContact CE2-CG 3.68Å; Y146-L258 HydrophobicContact CG-CD1 4.22Å; Y146-L258 HydrophobicContact CG-CD2 3.77Å; Y146-L258 HydrophobicContact CG-CG 3.71Å
147G85Confident90.2Very high25 Ų2543 Ų4326%0.25823%0.229SC..THydrogen-bonded Turntrans51-136.3-171.400000111.4C125 T145C125-G147 PolarHBondContact O-N 3.07Å; C125-G147 VanDerWaalsContact O-N 3.13Å; T145-G147 PolarHBondContact O-N 2.96Å; T145-G147 PolarHBondContact OG1-O 3.22Å
148D83.4Confident90.1Very high146 Ų14637.3 Ų37.378%0.78120%0.204SC*.THydrogen-bonded Turntrans-103.122175.9-57.3-29.1000112.1Y146 N150Y146-D148 PolarHBondContact O-N 2.86Å; D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact O-N 2.79Å
149T86.5Confident89.9Confident61 Ų6134.6 Ų34.637%0.37419%0.192SC..  trans-72.5-23.8-171.8610000113.6Y146 C151Y146-T149 HydrophobicContact CD1-CG2 3.93Å; Y146-T149 WeakPolarHBondContact O-CB 3.03Å; Y146-T149 WeakPolarHBondContact O-CG2 3.08Å; Y146-T149 PolarHBondContact O-N 3.3Å; Y146-T149 VanDerWaalsContact O-N 3.15Å; Y146-T149 PolarHBondContact O-OG1 3.17Å; T149-C151 PolarHBondContact O-N 3.39Å; T149-C151 VanDerWaalsContact O-N 3.14Å; T149-C151 PolarHBondContact OG1-N 3.35Å
150N86.5Confident89.5Confident131 Ų13134.7 Ų34.770%0.70119%0.188SC*.  trans52.425.6-170.1-59.1-54.9000113.5D148 A225D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact O-N 2.79Å; N150-A225 WeakPolarHBondContact O-CB 3.47Å
151C90.1Very high88.9Confident28 Ų2835.2 Ų35.219%0.18919%0.192CC..  trans-96.1148.4173.6-66.60000110.4T149 F153 A225 L258T149-C151 PolarHBondContact O-N 3.39Å; T149-C151 VanDerWaalsContact O-N 3.14Å; T149-C151 PolarHBondContact OG1-N 3.35Å; C151-F153 WeakPolarHBondContact O-CD1 3.24Å; C151-A225 WeakPolarHBondContact O-CA 3.38Å; C151-A225 VanDerWaalsContact O-CB 3.23Å; C151-A225 WeakPolarHBondContact O-CB 3.1Å; C151-L258 HydrophobicContact CB-CD2 3.54Å
152D90Very high88.5Confident97 Ų9735.3 Ų35.352%0.51919%0.194SC..  trans-65.3146.7164.5-65-38.7000109.9S222 N224 A225D152-S222 VanDerWaalsContact CA-OG 3.22Å; D152-S222 WeakPolarHBondContact CA-OG 3.44Å; D152-N224 PolarHBondContact OD1-N 2.82Å; D152-N224 VanDerWaalsContact OD1-N 3.14Å; D152-A225 PolarHBondContact OD1-N 2.9Å
153F89.7Confident88.1Confident6 Ų635.3 Ų35.33%0.02619%0.194CC..  trans-146.4160.8-176.460.4-88.5000110.1F144 Y146 C151 C155 S222 A225 C227 L256 V257 L258F144-F153 HydrophobicContact CB-CE2 4.19Å; F144-F153 HydrophobicContact CB-CZ 4.07Å; F144-F153 WeakPolarHBondContact O-CZ 3.49Å; Y146-F153 HydrophobicContact CD2-CB 3.95Å; Y146-F153 HydrophobicContact CD2-CG 4.33Å; Y146-F153 HydrophobicContact CG-CB 4.42Å; C151-F153 WeakPolarHBondContact O-CD1 3.24Å; F153-C155 HydrophobicContact CD2-CB 4.3Å; F153-C155 HydrophobicContact CE2-CB 3.93Å; F153-S222 WeakPolarHBondContact CD1-OG 3.4Å; F153-S222 PolarHBondContact N-OG 3.4Å; F153-S222 VanDerWaalsContact O-CB 3.31Å; F153-S222 WeakPolarHBondContact O-CB 3.39Å; F153-S222 PolarHBondContact O-N 3.48Å; F153-S222 PolarHBondContact O-OG 3.36Å; F153-S222 VanDerWaalsContact O-OG 3.14Å; F153-A225 WeakPolarHBondContact CE1-O 3.45Å; F153-C227 HydrophobicContact CE2-CB 4.17Å; F153-C227 HydrophobicContact CZ-CB 4.04Å; F153-L256 HydrophobicContact CD2-CB 4.09Å; F153-L256 HydrophobicContact CD2-CD2 4.07Å; F153-L256 HydrophobicContact CD2-CG 4.46Å; F153-L256 HydrophobicContact CE2-CD1 4.28Å; F153-L256 HydrophobicContact CE2-CD2 3.79Å; F153-L256 HydrophobicContact CE2-CG 4.43Å; F153-V257 CarbonylContact C-O 3.54Å; F153-V257 WeakPolarHBondContact CA-O 3.5Å; F153-V257 WeakPolarHBondContact CB-O 3.4Å; F153-L258 HydrophobicContact CB-CD2 4.3Å
154L89.6Confident88Confident42 Ų4235 Ų3522%0.2219%0.193CC..EExtended strand (participates in β ladder)trans-91.9121.4171.3-170.857.3000110.3Y156 A219 D221 L256 V257L154-Y156 HydrophobicContact CB-CE2 4.21Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CD2-CE2 3.58Å; L154-Y156 WeakPolarHBondContact CD2-OH 3.3Å; L154-Y156 HydrophobicContact CG-CD2 4.27Å; L154-Y156 HydrophobicContact CG-CE2 3.67Å; L154-A219 HydrophobicContact CD1-CB 4.03Å; L154-A219 HydrophobicContact CG-CB 4.48Å; L154-D221 WeakPolarHBondContact CD1-OD1 3.41Å; L154-L256 WeakPolarHBondContact O-CA 3.35Å; L154-V257 PolarHBondContact N-O 3.07Å; L154-V257 PolarHBondContact O-N 2.93Å
155C89.4Confident87.8Confident0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-97.4111.3178.5-170.80000110.8F153 A219 I220 C227 L256F153-C155 HydrophobicContact CD2-CB 4.3Å; F153-C155 HydrophobicContact CE2-CB 3.93Å; C155-A219 CarbonylContact O-C 3.56Å; C155-A219 WeakPolarHBondContact O-CA 3.28Å; C155-I220 HydrophobicContact CB-CB 4.38Å; C155-I220 WeakPolarHBondContact CB-O 3.35Å; C155-I220 PolarHBondContact N-O 3.33Å; C155-I220 PolarHBondContact O-N 2.89Å; C155-C227 HydrophobicContact CB-CB 4.27Å; C155-L256 HydrophobicContact CB-CD2 4.17Å
156Y88.6Confident87.8Confident31 Ų3134.4 Ų34.412%0.12219%0.189CC..EExtended strand (participates in β ladder)trans-94132.3172.8-66.2-88.3000110.9L154 Y218 A219 F254 R255 V257L154-Y156 HydrophobicContact CB-CE2 4.21Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CD2-CE2 3.58Å; L154-Y156 WeakPolarHBondContact CD2-OH 3.3Å; L154-Y156 HydrophobicContact CG-CD2 4.27Å; L154-Y156 HydrophobicContact CG-CE2 3.67Å; Y156-Y218 CarbonylContact C-O 3.36Å; Y156-Y218 VanDerWaalsContact CA-O 3.26Å; Y156-Y218 WeakPolarHBondContact CA-O 3.21Å; Y156-A219 HydrophobicContact CD1-CB 4.01Å; Y156-A219 HydrophobicContact CE1-CB 3.95Å; Y156-F254 CarbonylContact O-C 3.54Å; Y156-F254 WeakPolarHBondContact O-CA 3.35Å; Y156-R255 WeakPolarHBondContact CB-O 3.48Å; Y156-R255 PolarHBondContact N-O 3.16Å; Y156-R255 PolarHBondContact O-N 3.39Å; Y156-V257 HydrophobicContact CD2-CG2 3.98Å; Y156-V257 HydrophobicContact CE2-CB 4.22Å; Y156-V257 HydrophobicContact CE2-CG2 3.71Å
157L88.6Confident87.8Confident1 Ų133.5 Ų33.51%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-129.2131.8-178.8-62.2177.3000111.1F144 I166 I190 S217 Y218 I220 I229 L252 F254F144-L157 HydrophobicContact CE1-CD2 4.39Å; F144-L157 HydrophobicContact CE2-CD2 4.01Å; F144-L157 HydrophobicContact CZ-CD2 3.71Å; L157-I166 HydrophobicContact CD1-CG2 4.48Å; L157-I190 HydrophobicContact CD1-CD1 4.34Å; L157-S217 CarbonylContact O-C 3.49Å; L157-S217 WeakPolarHBondContact O-CA 3.06Å; L157-Y218 PolarHBondContact N-O 3.15Å; L157-Y218 PolarHBondContact O-N 2.52Å; L157-I220 HydrophobicContact CD1-CD1 3.72Å; L157-I229 HydrophobicContact CD1-CD1 4.03Å; L157-I229 HydrophobicContact CD1-CG2 3.87Å; L157-L252 HydrophobicContact CB-CD1 4.15Å; L157-L252 HydrophobicContact CD2-CD1 4.47Å; L157-L252 HydrophobicContact CD2-CD2 4.33Å; L157-L252 HydrophobicContact CD2-CG 4.48Å; L157-F254 HydrophobicContact CD2-CB 3.83Å
158E86.9Confident88.1Confident23 Ų2333.3 Ų33.311%0.10718%0.179CC..EExtended strand (participates in β ladder)trans-133.3102.8177.8-172.3-176.6-172.400111.6S197 N253E158-S197 PolarHBondContact OE1-OG 3.25Å; E158-N253 HydrophobicContact CB-CB 4.32Å; E158-N253 PolarHBondContact N-O 3.06Å; E158-N253 PolarHBondContact O-N 2.8Å
159P86.7Confident88.5Confident1 Ų126.7 Ų26.71%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-75.3125.6171.127.8-30.8000111.5I166 S197 Y218 F250 L252P159-I166 HydrophobicContact CB-CD1 4.04Å; P159-I166 HydrophobicContact CG-CD1 3.9Å; P159-S197 VanDerWaalsContact O-CB 3.28Å; P159-S197 WeakPolarHBondContact O-CB 3.46Å; P159-S197 PolarHBondContact O-N 3Å; P159-Y218 HydrophobicContact CG-CE2 4.03Å; P159-F250 HydrophobicContact CB-CE2 3.86Å; P159-F250 HydrophobicContact CB-CZ 4.12Å; P159-L252 HydrophobicContact CB-CD1 4.42Å
160E84Confident88.5Confident56 Ų5626.8 Ų26.826%0.26214%0.139SC..  trans-91.2-17.4179.4-72.7-172.3-175.500114.2A196 K251 N253E160-A196 VanDerWaalsContact C-CB 3.47Å; E160-A196 WeakPolarHBondContact O-CB 3.33Å; E160-K251 HydrophobicContact CB-CB 4.32Å; E160-K251 PolarHBondContact N-O 3Å; E160-K251 IonicContact OE1-NZ 2.79Å; E160-K251 PolarHBondContact OE1-NZ 2.93Å; E160-K251 WeakPolarHBondContact OE2-CD 3.4Å; E160-K251 IonicContact OE2-NZ 3.92Å; E160-K251 PolarHBondContact OE2-NZ 2.83Å; E160-N253 WeakPolarHBondContact CG-ND2 3.36Å; E160-N253 PolarHBondContact OE1-ND2 3.26Å
161V82.7Confident88.4Confident13 Ų1321.5 Ų21.58%0.07911%0.112CC..SBendtrans-133.6136.1-173.1-174.90000109I246 R248 P249 F250V161-I246 HydrophobicContact CG1-CG2 4.26Å; V161-R248 HydrophobicContact CG2-CB 4.43Å; V161-P249 WeakPolarHBondContact CG2-O 3.33Å; V161-F250 WeakPolarHBondContact O-CD2 3.25Å
162P84.2Confident87.9Confident22 Ų2224.4 Ų24.414%0.14313%0.126CC..SBendtrans-68.8172.3175.232.5-36.7000111.4G193 L242 I246P162-G193 CarbonylContact C-O 3.5Å; P162-G193 WeakPolarHBondContact CA-O 3.39Å; P162-G193 WeakPolarHBondContact CB-O 3.25Å; P162-L242 HydrophobicContact CB-CD2 3.92Å; P162-I246 WeakPolarHBondContact O-CD1 3.26Å
163G87Confident87Confident1 Ų126.8 Ų26.81%0.0113%0.127CC..SBendtrans109.7-12.3174.600000116.3G193 L234G163-G193 PolarHBondContact N-O 3.14Å; G163-L234 WeakPolarHBondContact O-CG 3.43Å; G163-L234 PolarHBondContact O-N 3.13Å
164V91.3Very high85.5Confident1 Ų133.6 Ų33.61%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-128.4116.5179.8179.50000107.8P136 H191 G193 L231 N232 F250P136-V164 HydrophobicContact CB-CG2 4.4Å; P136-V164 HydrophobicContact CG-CG2 4.06Å; V164-H191 PolarHBondContact O-CD2 3.01Å; V164-H191 VanDerWaalsContact O-CD2 3.31Å; V164-G193 VanDerWaalsContact O-CA 3.24Å; V164-G193 WeakPolarHBondContact O-CA 3.28Å; V164-L231 HydrophobicContact CG1-CB 3.76Å; V164-L231 HydrophobicContact CG1-CD2 4.22Å; V164-N232 CarbonylContact C-O 3.49Å; V164-N232 VanDerWaalsContact CA-O 3.28Å; V164-N232 WeakPolarHBondContact CA-O 3.36Å; V164-F250 HydrophobicContact CB-CD1 4.22Å; V164-F250 HydrophobicContact CB-CD2 3.67Å; V164-F250 HydrophobicContact CB-CE1 4.18Å; V164-F250 HydrophobicContact CB-CE2 3.65Å; V164-F250 HydrophobicContact CB-CG 3.96Å; V164-F250 HydrophobicContact CB-CZ 3.9Å; V164-F250 HydrophobicContact CG1-CD1 4.3Å; V164-F250 HydrophobicContact CG1-CE1 4.01Å; V164-F250 HydrophobicContact CG1-CE2 4.25Å; V164-F250 HydrophobicContact CG1-CZ 3.98Å; V164-F250 HydrophobicContact CG2-CB 3.92Å; V164-F250 HydrophobicContact CG2-CD1 4.06Å; V164-F250 HydrophobicContact CG2-CD2 3.71Å; V164-F250 HydrophobicContact CG2-CE2 4.23Å; V164-F250 HydrophobicContact CG2-CG 3.62Å
165A90.6Very high83.9Confident5 Ų537 Ų374%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-74.1147.6168.900000109.7H191 L231 N232 L234A165-H191 CarbonylContact C-O 3.49Å; A165-H191 VanDerWaalsContact CA-O 3.24Å; A165-H191 WeakPolarHBondContact CA-O 3.21Å; A165-H191 WeakPolarHBondContact CB-O 3.41Å; A165-L231 WeakPolarHBondContact O-CA 3.49Å; A165-N232 HydrophobicContact CB-CB 4.3Å; A165-N232 PolarHBondContact N-O 3.06Å; A165-N232 PolarHBondContact O-N 2.77Å; A165-L234 HydrophobicContact CB-CD2 4.29Å
166I92Very high82.3Confident0 Ų045.2 Ų45.20%021%0.214CC..EExtended strand (participates in β ladder)trans-117.8125.3176.3-47.8173.6000107.4L157 P159 I190 H191 I229 E230 L231 L252L157-I166 HydrophobicContact CD1-CG2 4.48Å; P159-I166 HydrophobicContact CB-CD1 4.04Å; P159-I166 HydrophobicContact CG-CD1 3.9Å; I166-I190 HydrophobicContact CB-CD1 4.33Å; I166-I190 HydrophobicContact CB-CG1 4.01Å; I166-I190 HydrophobicContact CG2-CD1 3.79Å; I166-I190 HydrophobicContact CG2-CG1 3.96Å; I166-I190 WeakPolarHBondContact O-CG1 3.39Å; I166-I190 PolarHBondContact O-N 3Å; I166-H191 HydrophobicContact CB-CB 3.77Å; I166-H191 HydrophobicContact CD1-CB 4.09Å; I166-H191 HydrophobicContact CG1-CB 3.9Å; I166-H191 PolarHBondContact N-O 3.23Å; I166-H191 PolarHBondContact O-N 3.46Å; I166-I229 HydrophobicContact CG2-CB 4.31Å; I166-I229 HydrophobicContact CG2-CD1 4.14Å; I166-E230 WeakPolarHBondContact CA-O 3.24Å; I166-L231 HydrophobicContact CB-CD2 4.39Å; I166-L231 HydrophobicContact CG1-CD2 3.86Å; I166-L231 HydrophobicContact CG2-CD2 4.11Å; I166-L252 HydrophobicContact CD1-CD1 3.76Å
167N91.7Very high80.7Confident14 Ų1445.5 Ų45.58%0.07522%0.215CC..EExtended strand (participates in β ladder)trans-114134.4171.1-53.4-38.2000108.8P187 I188 Q189 I229 E230 N232N167-P187 HydrophobicContact CB-CB 4.09Å; N167-I188 CarbonylContact C-O 3.57Å; N167-I188 VanDerWaalsContact CA-O 3.22Å; N167-I188 WeakPolarHBondContact CA-O 3.47Å; N167-Q189 VanDerWaalsContact OD1-CA 3.24Å; N167-Q189 WeakPolarHBondContact OD1-CA 3.25Å; N167-Q189 WeakPolarHBondContact OD1-CB 2.72Å; N167-I229 CarbonylContact O-C 3.57Å; N167-I229 VanDerWaalsContact O-CA 3.26Å; N167-I229 WeakPolarHBondContact O-CA 3.24Å; N167-I229 WeakPolarHBondContact O-CB 3.43Å; N167-E230 HydrophobicContact CB-CB 4.22Å; N167-E230 PolarHBondContact N-O 2.79Å; N167-E230 PolarHBondContact ND2-OE1 2.97Å; N167-E230 PolarHBondContact O-N 3.27Å; N167-N232 PolarHBondContact ND2-ND2 3.26Å
168Y90.4Very high79.2Confident21 Ų2152.2 Ų52.28%0.08225%0.247CC..EExtended strand (participates in β ladder)trans-73.3134.1160.9170.7-126.6000108.2E170 P187 I188 I220 E223 F228Y168-E170 HydrophobicContact CD1-CB 4.1Å; Y168-E170 HydrophobicContact CE1-CB 3.72Å; Y168-E170 HydrophobicContact CE1-CG 4.24Å; Y168-P187 CarbonylContact O-C 3.42Å; Y168-P187 WeakPolarHBondContact O-CA 3.21Å; Y168-I188 HydrophobicContact CD1-CD1 4.43Å; Y168-I188 PolarHBondContact N-O 2.82Å; Y168-I188 PolarHBondContact O-N 2.9Å; Y168-I220 HydrophobicContact CD1-CG2 4.44Å; Y168-I220 HydrophobicContact CD2-CD1 4.27Å; Y168-I220 HydrophobicContact CD2-CG2 3.61Å; Y168-I220 HydrophobicContact CE1-CG2 4.5Å; Y168-I220 HydrophobicContact CE2-CG2 3.7Å; Y168-I220 HydrophobicContact CG-CD1 4.48Å; Y168-I220 HydrophobicContact CG-CG2 4.01Å; Y168-E223 VanDerWaalsContact OH-CD 3.31Å; Y168-E223 PolarHBondContact OH-OE1 2.87Å; Y168-F228 WeakPolarHBondContact CD2-O 2.93Å
169L91.9Very high78.3Confident6 Ų657.2 Ų57.23%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-95.393173.4-68.4-172.3000108.5F180 Y185 P187 F228 E230L169-F180 HydrophobicContact CD1-CE2 3.67Å; L169-F180 HydrophobicContact CD1-CZ 3.68Å; L169-Y185 HydrophobicContact CB-CD1 3.83Å; L169-Y185 HydrophobicContact CB-CG 4.03Å; L169-Y185 WeakPolarHBondContact O-CD1 3.26Å; L169-P187 HydrophobicContact CD2-CB 3.95Å; L169-F228 HydrophobicContact CB-CB 3.88Å; L169-F228 HydrophobicContact CD1-CB 4.33Å; L169-F228 PolarHBondContact N-O 3.14Å; L169-E230 HydrophobicContact CD1-CB 4.21Å; L169-E230 HydrophobicContact CD2-CB 3.91Å; L169-E230 HydrophobicContact CG-CB 4.01Å
170E87.2Confident77.8Confident63 Ų6359 Ų5929%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-68.8125176.3-179.1-178-111.400109.1Y168 N172 Y185 R186 I188Y168-E170 HydrophobicContact CD1-CB 4.1Å; Y168-E170 HydrophobicContact CE1-CB 3.72Å; Y168-E170 HydrophobicContact CE1-CG 4.24Å; E170-N172 PolarHBondContact O-N 2.98Å; E170-Y185 CarbonylContact O-C 3.51Å; E170-Y185 VanDerWaalsContact O-CA 3.31Å; E170-Y185 WeakPolarHBondContact O-CA 3.37Å; E170-R186 HydrophobicContact CB-CB 4.5Å; E170-R186 PolarHBondContact N-O 3.06Å; E170-R186 PolarHBondContact O-N 2.87Å; E170-R186 IonicContact OE2-NH1 3.19Å; E170-I188 HydrophobicContact CB-CD1 3.83Å; E170-I188 HydrophobicContact CB-CG1 4.34Å; E170-I188 HydrophobicContact CG-CD1 4.32Å
171P84.2Confident77.6Confident21 Ų2159.5 Ų59.514%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-68.4126178.327.9-32.7000110.4R173 F177 Y185 E223P171-R173 PolarHBondContact O-N 2.88Å; P171-F177 HydrophobicContact CB-CE2 4.26Å; P171-Y185 HydrophobicContact CB-CD1 4.28Å; P171-Y185 HydrophobicContact CB-CE1 4.17Å; P171-E223 HydrophobicContact CG-CB 4.44Å; P171-E223 WeakPolarHBondContact CG-OE2 3.33Å
172N80.1Confident77.3Confident88 Ų8865 Ų6547%0.47130%0.303SS..SBendtrans-64.9-19175.9-72.5-40.8000112.4E170 N183 D184 Y185E170-N172 PolarHBondContact O-N 2.98Å; N172-N183 PolarHBondContact ND2-O 2.94Å; N172-N183 VanDerWaalsContact ND2-O 3.08Å; N172-D184 WeakPolarHBondContact CB-O 3.31Å; N172-D184 PolarHBondContact N-O 3.18Å; N172-Y185 PolarHBondContact ND2-N 2.94Å; N172-Y185 PolarHBondContact ND2-O 2.81Å
173R69.7Low77.2Confident147 Ų14770.2 Ų70.256%0.55533%0.329SS*.SBendtrans-145.5142.5-176.4-64.4179.6174.8164.6-5.1110.6P171 K175P171-R173 PolarHBondContact O-N 2.88Å; R173-K175 VanDerWaalsContact C-N 3.31Å; R173-K175 HydrophobicContact CB-CG 4.26Å; R173-K175 PolarHBondContact O-N 3.22Å
174I58.8Low77.1Confident150 Ų15071.7 Ų71.777%0.76934%0.337SS*.  trans-71.986.5166.6-50169.3000107.6
175K56.9Low76.9Confident112 Ų11272.4 Ų72.449%0.48734%0.34SS..  trans-131143170.6-71.8-171.7177.2-172.20109.1R173 F177R173-K175 VanDerWaalsContact C-N 3.31Å; R173-K175 HydrophobicContact CB-CG 4.26Å; R173-K175 PolarHBondContact O-N 3.22Å; K175-F177 HydrophobicContact CB-CD1 4.43Å; K175-F177 HydrophobicContact CB-CE1 4.01Å; K175-F177 HydrophobicContact CB-CE2 4.26Å; K175-F177 HydrophobicContact CB-CZ 3.92Å; K175-F177 WeakPolarHBondContact O-CD2 3.22Å; K175-F177 VanDerWaalsContact O-CE2 3.28Å; K175-F177 WeakPolarHBondContact O-CE2 2.93Å; K175-F177 PolarHBondContact O-N 2.9Å
176H53.9Low76.7Confident173 Ų17379.1 Ų79.180%0.80136%0.364SS*.  trans-68.5108.7161-72.5-70.4000107.8
177F55Low76.6Confident37 Ų3782.6 Ų82.616%0.16239%0.387CS..  trans-86.9119.7177.9-62.1-77.4000109.3P171 K175 D184P171-F177 HydrophobicContact CB-CE2 4.26Å; K175-F177 HydrophobicContact CB-CD1 4.43Å; K175-F177 HydrophobicContact CB-CE1 4.01Å; K175-F177 HydrophobicContact CB-CE2 4.26Å; K175-F177 HydrophobicContact CB-CZ 3.92Å; K175-F177 WeakPolarHBondContact O-CD2 3.22Å; K175-F177 VanDerWaalsContact O-CE2 3.28Å; K175-F177 WeakPolarHBondContact O-CE2 2.93Å; K175-F177 PolarHBondContact O-N 2.9Å; F177-D184 HydrophobicContact CD1-CB 4.39Å; F177-D184 HydrophobicContact CE1-CB 3.55Å; F177-D184 HydrophobicContact CZ-CB 3.83Å
178Q58Low76.5Confident143 Ų14384.9 Ų84.967%0.66840%0.398SS*.SBendtrans-77.2-27.4167.3-73.5177.3-17.600111.4
179Y67.7Low76.3Confident128 Ų12889.5 Ų89.550%0.50242%0.42SS..SBendtrans-135.9141.3-177.2-56-77.6000110
180F76.8Confident76Confident39 Ų3991.4 Ų91.417%0.17143%0.43CS..  trans-72.7130.8173.1179.1-100.1000110.6I121 H141 L169 E182 Y185 F228I121-F180 HydrophobicContact CD1-CB 3.33Å; I121-F180 HydrophobicContact CD1-CD1 3.66Å; I121-F180 HydrophobicContact CD1-CD2 4.24Å; I121-F180 HydrophobicContact CD1-CG 3.48Å; I121-F180 VanDerWaalsContact CD1-CG 3.48Å; H141-F180 HydrophobicContact CB-CE1 4.32Å; H141-F180 HydrophobicContact CB-CZ 4.2Å; H141-F180 AromaticContact CD2-CZ 3.69Å; H141-F180 AromaticContact CE1-CE1 3.82Å; H141-F180 AromaticContact CG-CE1 3.72Å; H141-F180 AromaticContact CG-CZ 3.63Å; H141-F180 AromaticContact ND1-CE1 3.55Å; H141-F180 AromaticContact ND1-CZ 3.91Å; H141-F180 AromaticContact NE2-CZ 3.93Å; L169-F180 HydrophobicContact CD1-CE2 3.67Å; L169-F180 HydrophobicContact CD1-CZ 3.68Å; F180-E182 HydrophobicContact CE1-CG 3.64Å; F180-E182 HydrophobicContact CZ-CG 4.12Å; F180-Y185 AromaticContact CD2-CD2 4Å; F180-Y185 HydrophobicContact CD2-CD2 4Å; F180-Y185 AromaticContact CD2-CE2 3.44Å; F180-Y185 HydrophobicContact CD2-CE2 3.44Å; F180-Y185 VanDerWaalsContact CD2-CE2 3.44Å; F180-Y185 AromaticContact CE2-CD2 3.53Å; F180-Y185 HydrophobicContact CE2-CD2 3.53Å; F180-Y185 AromaticContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CE2 3.46Å; F180-Y185 VanDerWaalsContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CG 4.3Å; F180-Y185 HydrophobicContact CG-CE2 4.47Å; F180-Y185 HydrophobicContact CZ-CD2 4.26Å; F180-F228 HydrophobicContact CB-CE1 4.42Å; F180-F228 AromaticContact CD2-CD1 3.77Å; F180-F228 HydrophobicContact CD2-CD1 3.77Å; F180-F228 AromaticContact CD2-CE1 3.43Å; F180-F228 HydrophobicContact CD2-CE1 3.43Å; F180-F228 VanDerWaalsContact CD2-CE1 3.43Å; F180-F228 AromaticContact CD2-CZ 3.93Å; F180-F228 HydrophobicContact CD2-CZ 3.93Å; F180-F228 AromaticContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CE1 4Å; F180-F228 HydrophobicContact CG-CE1 4.19Å
181N79.5Confident75.9Confident66 Ų6688.6 Ų88.635%0.35342%0.417SS..  trans-137.2119.4173.3172.211.2000108.6N183 D184 Y185N181-N183 PolarHBondContact O-N 3.44Å; N181-N183 PolarHBondContact OD1-N 3.18Å; N181-N183 PolarHBondContact OD1-ND2 2.91Å; N181-D184 WeakPolarHBondContact CB-OD2 3.36Å; N181-D184 PolarHBondContact ND2-OD2 2.97Å; N181-D184 WeakPolarHBondContact O-CB 3.39Å; N181-D184 PolarHBondContact O-N 2.86Å; N181-Y185 VanDerWaalsContact O-CD2 3.29Å; N181-Y185 WeakPolarHBondContact O-CD2 3.18Å
182E75.9Confident76Confident128 Ų12890 Ų9060%0.59843%0.427SS*.G310 helixtrans-54.6-30.1-176.7-64.9178.117500113.3H141 F180 D184 Y185H141-E182 IonicContact CE1-OE1 3.06Å; H141-E182 PolarHBondContact CE1-OE1 3Å; F180-E182 HydrophobicContact CE1-CG 3.64Å; F180-E182 HydrophobicContact CZ-CG 4.12Å; E182-D184 PolarHBondContact O-N 2.78Å; E182-Y185 PolarHBondContact O-N 2.83Å
183N82.7Confident76.3Confident131 Ų13185.8 Ų85.870%0.70141%0.405SS*.G310 helixtrans-71.1-19179.6-60.2-67.9000113.6N172 N181 Y185N172-N183 PolarHBondContact ND2-O 2.94Å; N172-N183 VanDerWaalsContact ND2-O 3.08Å; N181-N183 PolarHBondContact O-N 3.44Å; N181-N183 PolarHBondContact OD1-N 3.18Å; N181-N183 PolarHBondContact OD1-ND2 2.91Å; N183-Y185 VanDerWaalsContact C-N 3.26Å
184D84.3Confident76.9Confident32 Ų3281.9 Ų81.917%0.17139%0.394CS..G310 helixtrans-84.7-3.5178.6-69.9-52.4000112.4N172 F177 N181 E182N172-D184 WeakPolarHBondContact CB-O 3.31Å; N172-D184 PolarHBondContact N-O 3.18Å; F177-D184 HydrophobicContact CD1-CB 4.39Å; F177-D184 HydrophobicContact CE1-CB 3.55Å; F177-D184 HydrophobicContact CZ-CB 3.83Å; N181-D184 WeakPolarHBondContact CB-OD2 3.36Å; N181-D184 PolarHBondContact ND2-OD2 2.97Å; N181-D184 WeakPolarHBondContact O-CB 3.39Å; N181-D184 PolarHBondContact O-N 2.86Å; E182-D184 PolarHBondContact O-N 2.78Å
185Y87Confident77.6Confident16 Ų1676.1 Ų76.16%0.06337%0.37CS..EExtended strand (participates in β ladder)trans-121.5156.4-179.4-61.2-86.8000112.7L169 E170 P171 N172 F180 N181 E182 N183 F228L169-Y185 HydrophobicContact CB-CD1 3.83Å; L169-Y185 HydrophobicContact CB-CG 4.03Å; L169-Y185 WeakPolarHBondContact O-CD1 3.26Å; E170-Y185 CarbonylContact O-C 3.51Å; E170-Y185 VanDerWaalsContact O-CA 3.31Å; E170-Y185 WeakPolarHBondContact O-CA 3.37Å; P171-Y185 HydrophobicContact CB-CD1 4.28Å; P171-Y185 HydrophobicContact CB-CE1 4.17Å; N172-Y185 PolarHBondContact ND2-N 2.94Å; N172-Y185 PolarHBondContact ND2-O 2.81Å; F180-Y185 AromaticContact CD2-CD2 4Å; F180-Y185 HydrophobicContact CD2-CD2 4Å; F180-Y185 AromaticContact CD2-CE2 3.44Å; F180-Y185 HydrophobicContact CD2-CE2 3.44Å; F180-Y185 VanDerWaalsContact CD2-CE2 3.44Å; F180-Y185 AromaticContact CE2-CD2 3.53Å; F180-Y185 HydrophobicContact CE2-CD2 3.53Å; F180-Y185 AromaticContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CE2 3.46Å; F180-Y185 VanDerWaalsContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CG 4.3Å; F180-Y185 HydrophobicContact CG-CE2 4.47Å; F180-Y185 HydrophobicContact CZ-CD2 4.26Å; N181-Y185 VanDerWaalsContact O-CD2 3.29Å; N181-Y185 WeakPolarHBondContact O-CD2 3.18Å; E182-Y185 PolarHBondContact O-N 2.83Å; N183-Y185 VanDerWaalsContact C-N 3.26Å; Y185-F228 HydrophobicContact CE1-CB 4.33Å; Y185-F228 HydrophobicContact CE1-CD2 4.08Å; Y185-F228 HydrophobicContact CE1-CG 4.34Å; Y185-F228 WeakPolarHBondContact OH-CE2 3.46Å
186R87.9Confident78.1Confident147 Ų14771 Ų7156%0.55535%0.348SS*.EExtended strand (participates in β ladder)trans-118.1120.5170.1-179.9-176178.7-167.7-0.1109.2E170 I188E170-R186 HydrophobicContact CB-CB 4.5Å; E170-R186 PolarHBondContact N-O 3.06Å; E170-R186 PolarHBondContact O-N 2.87Å; E170-R186 IonicContact OE2-NH1 3.19Å; R186-I188 PolarHBondContact O-N 2.76Å
187P90Very high78.2Confident73 Ų7363.2 Ų63.247%0.47431%0.313SS..EExtended strand (participates in β ladder)trans-72.9125.5175.928.3-32.7000111N167 Y168 L169N167-P187 HydrophobicContact CB-CB 4.09Å; Y168-P187 CarbonylContact O-C 3.42Å; Y168-P187 WeakPolarHBondContact O-CA 3.21Å; L169-P187 HydrophobicContact CD2-CB 3.95Å
188I87.9Confident77.9Confident62 Ų6265.1 Ų65.132%0.31832%0.324SS..EExtended strand (participates in β ladder)trans-113.6114.6169.7-58.7178.7000107.7N167 Y168 E170 R186 I190N167-I188 CarbonylContact C-O 3.57Å; N167-I188 VanDerWaalsContact CA-O 3.22Å; N167-I188 WeakPolarHBondContact CA-O 3.47Å; Y168-I188 HydrophobicContact CD1-CD1 4.43Å; Y168-I188 PolarHBondContact N-O 2.82Å; Y168-I188 PolarHBondContact O-N 2.9Å; E170-I188 HydrophobicContact CB-CD1 3.83Å; E170-I188 HydrophobicContact CB-CG1 4.34Å; E170-I188 HydrophobicContact CG-CD1 4.32Å; R186-I188 PolarHBondContact O-N 2.76Å; I188-I190 PolarHBondContact O-N 3.16Å
189Q86.3Confident77.5Confident117 Ų11763.9 Ų63.955%0.54732%0.322SS..EExtended strand (participates in β ladder)trans-69.1120.9178.8-177.1169.677.500111N167N167-Q189 VanDerWaalsContact OD1-CA 3.24Å; N167-Q189 WeakPolarHBondContact OD1-CA 3.25Å; N167-Q189 WeakPolarHBondContact OD1-CB 2.72Å
190I86Confident76.4Confident46 Ų4659.4 Ų59.424%0.23632%0.315CS..EExtended strand (participates in β ladder)trans-104.9-29.8174.361176.2000111.3L157 I166 I188 Y218 I220L157-I190 HydrophobicContact CD1-CD1 4.34Å; I166-I190 HydrophobicContact CB-CD1 4.33Å; I166-I190 HydrophobicContact CB-CG1 4.01Å; I166-I190 HydrophobicContact CG2-CD1 3.79Å; I166-I190 HydrophobicContact CG2-CG1 3.96Å; I166-I190 WeakPolarHBondContact O-CG1 3.39Å; I166-I190 PolarHBondContact O-N 3Å; I188-I190 PolarHBondContact O-N 3.16Å; I190-Y218 HydrophobicContact CB-CD1 4.21Å; I190-Y218 HydrophobicContact CD1-CG 4.36Å; I190-Y218 WeakPolarHBondContact O-CE1 3.42Å; I190-I220 HydrophobicContact CD1-CD1 3.63Å; I190-I220 HydrophobicContact CD1-CG1 4.24Å
191H86.4Confident74.7Confident5 Ų558.7 Ų58.72%0.02332%0.315CS..EExtended strand (participates in β ladder)trans-133.7125.3179-175.970.3000110.6V164 A165 I166 G193 A195 Y218V164-H191 PolarHBondContact O-CD2 3.01Å; V164-H191 VanDerWaalsContact O-CD2 3.31Å; A165-H191 CarbonylContact C-O 3.49Å; A165-H191 VanDerWaalsContact CA-O 3.24Å; A165-H191 WeakPolarHBondContact CA-O 3.21Å; A165-H191 WeakPolarHBondContact CB-O 3.41Å; I166-H191 HydrophobicContact CB-CB 3.77Å; I166-H191 HydrophobicContact CD1-CB 4.09Å; I166-H191 HydrophobicContact CG1-CB 3.9Å; I166-H191 PolarHBondContact N-O 3.23Å; I166-H191 PolarHBondContact O-N 3.46Å; H191-G193 VanDerWaalsContact C-N 3.29Å; H191-G193 PolarHBondContact CD2-N 2.81Å; H191-G193 WeakPolarHBondContact NE2-CA 3.46Å; H191-G193 PolarHBondContact NE2-N 2.76Å; H191-G193 PolarHBondContact O-N 3.44Å; H191-A195 PolarHBondContact CE1-O 3.24Å; H191-A195 PolarHBondContact NE2-O 3.04Å; H191-Y218 HydrophobicContact CB-CD2 4.44Å; H191-Y218 HydrophobicContact CB-CE2 3.72Å; H191-Y218 AromaticContact CG-CE2 3.84Å; H191-Y218 AromaticContact CG-CZ 4Å; H191-Y218 AromaticContact ND1-CE2 3.47Å; H191-Y218 WeakPolarHBondContact ND1-CE2 3.28Å; H191-Y218 AromaticContact ND1-CZ 3.47Å; H191-Y218 PolarHBondContact ND1-OH 2.84Å
192S85Confident72.6Confident49 Ų4962.3 Ų62.334%0.34334%0.339SS..  trans-75.4-14.8-177.9660000114.1L194 L234S192-L194 PolarHBondContact O-N 2.8Å; S192-L194 PolarHBondContact OG-N 2.87Å; S192-L234 WeakPolarHBondContact O-CD2 3.11Å
193G85.9Confident70.5Confident0 Ų058.1 Ų58.10%033%0.33CS..SBendtrans75.8-8.2-174.900000114.7P162 G163 V164 H191 A195 L234P162-G193 CarbonylContact C-O 3.5Å; P162-G193 WeakPolarHBondContact CA-O 3.39Å; P162-G193 WeakPolarHBondContact CB-O 3.25Å; G163-G193 PolarHBondContact N-O 3.14Å; V164-G193 VanDerWaalsContact O-CA 3.24Å; V164-G193 WeakPolarHBondContact O-CA 3.28Å; H191-G193 VanDerWaalsContact C-N 3.29Å; H191-G193 PolarHBondContact CD2-N 2.81Å; H191-G193 WeakPolarHBondContact NE2-CA 3.46Å; H191-G193 PolarHBondContact NE2-N 2.76Å; H191-G193 PolarHBondContact O-N 3.44Å; G193-A195 VanDerWaalsContact C-N 3.28Å; G193-A195 PolarHBondContact O-N 2.78Å; G193-L234 WeakPolarHBondContact O-CD1 3.22Å
194L82.1Confident68.1Low65 Ų6559.2 Ų59.234%0.3434%0.342SS..SBendtrans-76.3-13.6-175.8-69.1172.8000113.9S192 L234 Q238 L242S192-L194 PolarHBondContact O-N 2.8Å; S192-L194 PolarHBondContact OG-N 2.87Å; L194-L234 HydrophobicContact CD2-CD1 3.81Å; L194-L234 HydrophobicContact CG-CD1 4.38Å; L194-Q238 HydrophobicContact CD2-CB 4.32Å; L194-L242 HydrophobicContact CD2-CD2 4.21Å; L194-L242 WeakPolarHBondContact O-CD2 3.36Å
195A74.1Confident66.2Low30 Ų3061.5 Ų61.525%0.24835%0.348CS..SBendtrans-149.4149.5177.900000109H191 G193 S201H191-A195 PolarHBondContact CE1-O 3.24Å; H191-A195 PolarHBondContact NE2-O 3.04Å; G193-A195 VanDerWaalsContact C-N 3.28Å; G193-A195 PolarHBondContact O-N 2.78Å; A195-S201 WeakPolarHBondContact CB-OG 3.24Å
196A66.8Low63.9Low5 Ų571.4 Ų71.44%0.04139%0.387CS..  trans-76.1-169.3174.500000113.9E160 G200 S201E160-A196 VanDerWaalsContact C-CB 3.47Å; E160-A196 WeakPolarHBondContact O-CB 3.33Å; A196-G200 WeakPolarHBondContact CB-O 3.37Å; A196-G200 PolarHBondContact N-O 2.8Å; A196-S201 VanDerWaalsContact C-CB 3.46Å; A196-S201 WeakPolarHBondContact O-CB 3.46Å; A196-S201 PolarHBondContact O-OG 2.77Å
197S56.7Low61.5Low8 Ų869.2 Ų69.26%0.05640%0.395CS..SBendtrans-70.1-172.9164.784.20000111.5E158 P159 N199 G200 S201E158-S197 PolarHBondContact OE1-OG 3.25Å; P159-S197 VanDerWaalsContact O-CB 3.28Å; P159-S197 WeakPolarHBondContact O-CB 3.46Å; P159-S197 PolarHBondContact O-N 3Å; S197-N199 PolarHBondContact O-N 3.15Å; S197-G200 CarbonylContact O-C 3.6Å; S197-G200 PolarHBondContact O-N 3.24Å; S197-S201 WeakPolarHBondContact O-CB 3.48Å; S197-S201 PolarHBondContact O-N 2.88Å
198I49.4Very low58.9Low78 Ų7866.8 Ų66.840%0.438%0.379SS..THydrogen-bonded Turntrans-59.2-21.6-176.7-123.6148.6000113.7G200 R205 F216I198-G200 PolarHBondContact O-N 3.4Å; I198-R205 VanDerWaalsContact CB-NH1 3.27Å; I198-F216 HydrophobicContact CB-CD2 4.17Å; I198-F216 HydrophobicContact CD1-CD1 3.93Å; I198-F216 HydrophobicContact CD1-CD2 3.21Å; I198-F216 HydrophobicContact CD1-CE1 3.71Å; I198-F216 HydrophobicContact CD1-CE2 3Å; I198-F216 HydrophobicContact CD1-CG 3.7Å; I198-F216 HydrophobicContact CD1-CZ 3.26Å; I198-F216 HydrophobicContact CG1-CD2 4.29Å; I198-F216 HydrophobicContact CG1-CE2 4.36Å
199N48.7Very low56.5Low116 Ų11672.6 Ų72.662%0.6241%0.407SS*.THydrogen-bonded Turntrans-72.6-2.1171.8-65.5-32.5000113.2S197S197-N199 PolarHBondContact O-N 3.15Å
200G45.7Very low54.1Low34 Ų3470.1 Ų70.135%0.35141%0.413SS..SBendtrans-166.232.7175.700000118.3A196 S197 I198A196-G200 WeakPolarHBondContact CB-O 3.37Å; A196-G200 PolarHBondContact N-O 2.8Å; S197-G200 CarbonylContact O-C 3.6Å; S197-G200 PolarHBondContact O-N 3.24Å; I198-G200 PolarHBondContact O-N 3.4Å
201S39.6Very low51.9Low24 Ų2468.9 Ų68.917%0.16841%0.408CS..  trans-149.2151.8-178.1158.60000115.3A195 A196 S197 G203 R205A195-S201 WeakPolarHBondContact CB-OG 3.24Å; A196-S201 VanDerWaalsContact C-CB 3.46Å; A196-S201 WeakPolarHBondContact O-CB 3.46Å; A196-S201 PolarHBondContact O-OG 2.77Å; S197-S201 WeakPolarHBondContact O-CB 3.48Å; S197-S201 PolarHBondContact O-N 2.88Å; S201-G203 PolarHBondContact OG-N 3.41Å; S201-R205 VanDerWaalsContact C-NH2 3.26Å; S201-R205 PolarHBondContact O-NH2 3.25Å; S201-R205 PolarHBondContact OG-NH2 2.91Å
202T37.1Very low49.9Very low143 Ų14377 Ų7788%0.87745%0.451SS*.  trans-120.118.1176.648.90000114.4
203G31Very low48.4Very low39 Ų3980.9 Ų80.940%0.40246%0.462SS..SBendtrans-93.6159.2178.800000115.8S201 R205S201-G203 PolarHBondContact OG-N 3.41Å; G203-R205 WeakPolarHBondContact O-CG 3.47Å; G203-R205 PolarHBondContact O-NE 2.96Å; G203-R205 VanDerWaalsContact O-NE 3.14Å
204T31.4Very low46.5Very low155 Ų15582.5 Ų82.595%0.95147%0.47SS*.  trans-66.8136.2-179.9-45.60000113
205R45.6Very low45.1Very low79 Ų7982.4 Ų82.430%0.29847%0.473SS..  trans-137.3148.1-162-45.5-172.8-176.6-178.5-1114.2I198 S201 G203I198-R205 VanDerWaalsContact CB-NH1 3.27Å; S201-R205 VanDerWaalsContact C-NH2 3.26Å; S201-R205 PolarHBondContact O-NH2 3.25Å; S201-R205 PolarHBondContact OG-NH2 2.91Å; G203-R205 WeakPolarHBondContact O-CG 3.47Å; G203-R205 PolarHBondContact O-NE 2.96Å; G203-R205 VanDerWaalsContact O-NE 3.14Å
206Y37.9Very low44.2Very low224 Ų22484 Ų8488%0.87847%0.474SS*.PPolyproline II helixtrans-85.4122.8168.5-59-81.4000109.1C208Y206-C208 PolarHBondContact O-N 2.73Å
207S37Very low44.3Very low102 Ų10284.3 Ų84.371%0.71348%0.476SS*.PPolyproline II helixtrans-68.6119.5173.552.10000109.7
208C36.2Very low45.5Very low22 Ų2287.6 Ų87.615%0.14949%0.487CS..PPolyproline II helixtrans-74.7145.1162.463.10000109.1Y206 G210 T215 S217Y206-C208 PolarHBondContact O-N 2.73Å; C208-G210 PolarHBondContact O-N 2.7Å; C208-T215 PolarHBondContact SG-O 3.3Å; C208-T215 VanDerWaalsContact SG-O 3.36Å; C208-S217 VanDerWaalsContact CB-O 3.31Å; C208-S217 WeakPolarHBondContact CB-O 3.5Å; C208-S217 PolarHBondContact SG-O 3.3Å
209M37.9Very low47.2Very low184 Ų18486.1 Ų86.191%0.90649%0.487SS*.SBendtrans-53.6135.8169.6-79.7-106-141.500109.2S211M209-S211 PolarHBondContact O-N 3.07Å
210G35.4Very low49Very low65 Ų6581.2 Ų81.267%0.6746%0.461SS*.PPolyproline II helixtrans-52.6118.8-16100000114.6C208C208-G210 PolarHBondContact O-N 2.7Å
211S40.6Very low51Low19 Ų1985.3 Ų85.313%0.13348%0.475CS..PPolyproline II helixtrans-93.4149.9154.484.80000109M209 F213 N214M209-S211 PolarHBondContact O-N 3.07Å; S211-F213 PolarHBondContact O-N 3.34Å; S211-F213 PolarHBondContact OG-N 2.82Å; S211-N214 PolarHBondContact OG-N 3.18Å; S211-N214 PolarHBondContact OG-O 2.06Å
212L44.8Very low53.3Low176 Ų17684.5 Ų84.592%0.92147%0.469SS*.SBendtrans-59.4-10.5169.8-79.4161.1000113.5
213F51.6Low55.6Low130 Ų13081.3 Ų81.357%0.5744%0.444SS*.SBendtrans-92-47.4-174.3-78.4-83.4000112.4S211 R255S211-F213 PolarHBondContact O-N 3.34Å; S211-F213 PolarHBondContact OG-N 2.82Å; F213-R255 VanDerWaalsContact CD2-NH1 3.25Å
214N48Very low58.3Low34 Ų3482.6 Ų82.618%0.18244%0.442CS..  trans-172.8145.2172-143.5-15.9000109.6S211 F216S211-N214 PolarHBondContact OG-N 3.18Å; S211-N214 PolarHBondContact OG-O 2.06Å; N214-F216 PolarHBondContact O-N 3.17Å; N214-F216 WeakPolarHBondContact OD1-CD2 3.18Å
215T51.4Low61.1Low64 Ų6475.6 Ų75.639%0.39340%0.4SS..THydrogen-bonded Turntrans-718.3173.439.50000113.8C208C208-T215 PolarHBondContact SG-O 3.3Å; C208-T215 VanDerWaalsContact SG-O 3.36Å
216F55.6Low63.2Low64 Ų6474.4 Ų74.428%0.28140%0.397SS..THydrogen-bonded Turntrans-131.520.7-166.7-50.3-73.4000113.6I198 N214I198-F216 HydrophobicContact CB-CD2 4.17Å; I198-F216 HydrophobicContact CD1-CD1 3.93Å; I198-F216 HydrophobicContact CD1-CD2 3.21Å; I198-F216 HydrophobicContact CD1-CE1 3.71Å; I198-F216 HydrophobicContact CD1-CE2 3Å; I198-F216 HydrophobicContact CD1-CG 3.7Å; I198-F216 HydrophobicContact CD1-CZ 3.26Å; I198-F216 HydrophobicContact CG1-CD2 4.29Å; I198-F216 HydrophobicContact CG1-CE2 4.36Å; N214-F216 PolarHBondContact O-N 3.17Å; N214-F216 WeakPolarHBondContact OD1-CD2 3.18Å
217S68.5Low65.8Low10 Ų1063.8 Ų63.87%0.0736%0.356CS..  trans-82.9144.3168.3-55.30000109.6L157 C208L157-S217 CarbonylContact O-C 3.49Å; L157-S217 WeakPolarHBondContact O-CA 3.06Å; C208-S217 VanDerWaalsContact CB-O 3.31Å; C208-S217 WeakPolarHBondContact CB-O 3.5Å; C208-S217 PolarHBondContact SG-O 3.3Å
218Y81.6Confident68.5Low77 Ų7759.3 Ų59.330%0.30232%0.324SS..EExtended strand (participates in β ladder)trans-71.4135.8163.4-59.3-76.2000107.9Y156 L157 P159 I190 H191Y156-Y218 CarbonylContact C-O 3.36Å; Y156-Y218 VanDerWaalsContact CA-O 3.26Å; Y156-Y218 WeakPolarHBondContact CA-O 3.21Å; L157-Y218 PolarHBondContact N-O 3.15Å; L157-Y218 PolarHBondContact O-N 2.52Å; P159-Y218 HydrophobicContact CG-CE2 4.03Å; I190-Y218 HydrophobicContact CB-CD1 4.21Å; I190-Y218 HydrophobicContact CD1-CG 4.36Å; I190-Y218 WeakPolarHBondContact O-CE1 3.42Å; H191-Y218 HydrophobicContact CB-CD2 4.44Å; H191-Y218 HydrophobicContact CB-CE2 3.72Å; H191-Y218 AromaticContact CG-CE2 3.84Å; H191-Y218 AromaticContact CG-CZ 4Å; H191-Y218 AromaticContact ND1-CE2 3.47Å; H191-Y218 WeakPolarHBondContact ND1-CE2 3.28Å; H191-Y218 AromaticContact ND1-CZ 3.47Å; H191-Y218 PolarHBondContact ND1-OH 2.84Å
219A84.7Confident71.2Confident48 Ų4858.3 Ų58.340%0.39732%0.317SS..EExtended strand (participates in β ladder)trans-119.3127.9176.900000108.1L154 C155 Y156L154-A219 HydrophobicContact CD1-CB 4.03Å; L154-A219 HydrophobicContact CG-CB 4.48Å; C155-A219 CarbonylContact O-C 3.56Å; C155-A219 WeakPolarHBondContact O-CA 3.28Å; Y156-A219 HydrophobicContact CD1-CB 4.01Å; Y156-A219 HydrophobicContact CE1-CB 3.95Å
220I86.9Confident73.9Confident13 Ų1351 Ų517%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-126.6122.2-179-52.6169.1000106.9C155 L157 Y168 I190 S222 I229C155-I220 HydrophobicContact CB-CB 4.38Å; C155-I220 WeakPolarHBondContact CB-O 3.35Å; C155-I220 PolarHBondContact N-O 3.33Å; C155-I220 PolarHBondContact O-N 2.89Å; L157-I220 HydrophobicContact CD1-CD1 3.72Å; Y168-I220 HydrophobicContact CD1-CG2 4.44Å; Y168-I220 HydrophobicContact CD2-CD1 4.27Å; Y168-I220 HydrophobicContact CD2-CG2 3.61Å; Y168-I220 HydrophobicContact CE1-CG2 4.5Å; Y168-I220 HydrophobicContact CE2-CG2 3.7Å; Y168-I220 HydrophobicContact CG-CD1 4.48Å; Y168-I220 HydrophobicContact CG-CG2 4.01Å; I190-I220 HydrophobicContact CD1-CD1 3.63Å; I190-I220 HydrophobicContact CD1-CG1 4.24Å; I220-S222 PolarHBondContact O-N 2.99Å; I220-I229 HydrophobicContact CD1-CG2 4Å
221D87.1Confident76.8Confident120 Ų12047.9 Ų47.964%0.64225%0.248SC*.EExtended strand (participates in β ladder)trans-68.1127.2167.7-65.4-60.3000108.5L154L154-D221 WeakPolarHBondContact CD1-OD1 3.41Å
222S89.1Confident79.3Confident7 Ų748.7 Ų48.75%0.04925%0.251CS..  trans-67.5150.4172.2740000110.1D152 F153 I220 Q226D152-S222 VanDerWaalsContact CA-OG 3.22Å; D152-S222 WeakPolarHBondContact CA-OG 3.44Å; F153-S222 WeakPolarHBondContact CD1-OG 3.4Å; F153-S222 PolarHBondContact N-OG 3.4Å; F153-S222 VanDerWaalsContact O-CB 3.31Å; F153-S222 WeakPolarHBondContact O-CB 3.39Å; F153-S222 PolarHBondContact O-N 3.48Å; F153-S222 PolarHBondContact O-OG 3.36Å; F153-S222 VanDerWaalsContact O-OG 3.14Å; I220-S222 PolarHBondContact O-N 2.99Å; S222-Q226 WeakPolarHBondContact CA-O 3.13Å; S222-Q226 WeakPolarHBondContact CB-O 3.21Å
223E86.3Confident81.5Confident75 Ų7542.6 Ų42.635%0.3522%0.221SC..BIsolated β-bridgetrans-117.2129.4172.7-67.8177.2-14200109.3Y168 P171 A225 Q226Y168-E223 VanDerWaalsContact OH-CD 3.31Å; Y168-E223 PolarHBondContact OH-OE1 2.87Å; P171-E223 HydrophobicContact CG-CB 4.44Å; P171-E223 WeakPolarHBondContact CG-OE2 3.33Å; E223-A225 VanDerWaalsContact C-N 3.29Å; E223-A225 PolarHBondContact O-N 3.47Å; E223-Q226 PolarHBondContact N-O 2.94Å; E223-Q226 PolarHBondContact O-N 2.82Å; E223-Q226 VanDerWaalsContact O-N 3.15Å; E223-Q226 VanDerWaalsContact O-O 3.12Å
224N87.1Confident83.4Confident66 Ų6636.9 Ų36.935%0.35320%0.196SC..THydrogen-bonded Turntrans56.841.5-176.8-48.6-66.6000112.7D152 Q226D152-N224 PolarHBondContact OD1-N 2.82Å; D152-N224 VanDerWaalsContact OD1-N 3.14Å; N224-Q226 PolarHBondContact O-N 3.16Å
225A89.6Confident85.4Confident8 Ų839.2 Ų39.27%0.06621%0.209CC..THydrogen-bonded Turntrans59.923-176.600000115N150 C151 D152 F153 E223N150-A225 WeakPolarHBondContact O-CB 3.47Å; C151-A225 WeakPolarHBondContact O-CA 3.38Å; C151-A225 VanDerWaalsContact O-CB 3.23Å; C151-A225 WeakPolarHBondContact O-CB 3.1Å; D152-A225 PolarHBondContact OD1-N 2.9Å; F153-A225 WeakPolarHBondContact CE1-O 3.45Å; E223-A225 VanDerWaalsContact C-N 3.29Å; E223-A225 PolarHBondContact O-N 3.47Å
226Q90.9Very high87Confident54 Ų5445.6 Ų45.625%0.25223%0.232SC..BIsolated β-bridgetrans-134.2143.7179.2-64.1-175.3-7.600111.5L143 T145 S222 E223 N224L143-Q226 HydrophobicContact CD1-CB 4Å; L143-Q226 HydrophobicContact CD1-CG 4.17Å; T145-Q226 HydrophobicContact CG2-CG 4.2Å; S222-Q226 WeakPolarHBondContact CA-O 3.13Å; S222-Q226 WeakPolarHBondContact CB-O 3.21Å; E223-Q226 PolarHBondContact N-O 2.94Å; E223-Q226 PolarHBondContact O-N 2.82Å; E223-Q226 VanDerWaalsContact O-N 3.15Å; E223-Q226 VanDerWaalsContact O-O 3.12Å; N224-Q226 PolarHBondContact O-N 3.16Å
227C91.4Very high88.6Confident1 Ų149.7 Ų49.71%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-131.2115.2168.3173.20000108.7F144 F153 C155F144-C227 HydrophobicContact CB-CB 4.2Å; F144-C227 PolarHBondContact N-O 2.79Å; F144-C227 PolarHBondContact O-N 3.04Å; F153-C227 HydrophobicContact CE2-CB 4.17Å; F153-C227 HydrophobicContact CZ-CB 4.04Å; C155-C227 HydrophobicContact CB-CB 4.27Å
228F92.9Very high89.4Confident9 Ų952.3 Ų52.34%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-101.1134.6175.5-90.5-87.8000110.3F103 I121 V142 L143 Y168 L169 F180 Y185F103-F228 HydrophobicContact CE1-CE1 4.23Å; F103-F228 AromaticContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CZ-CZ 4.2Å; I121-F228 HydrophobicContact CD1-CE1 4.32Å; I121-F228 HydrophobicContact CG2-CE1 4.13Å; V142-F228 WeakPolarHBondContact O-CA 3.23Å; L143-F228 HydrophobicContact CB-CD1 4.16Å; L143-F228 HydrophobicContact CB-CE1 3.75Å; L143-F228 HydrophobicContact CB-CE2 4.4Å; L143-F228 HydrophobicContact CB-CZ 3.88Å; L143-F228 HydrophobicContact CD1-CD2 3.73Å; L143-F228 HydrophobicContact CD1-CE1 4.37Å; L143-F228 HydrophobicContact CD1-CE2 3.47Å; L143-F228 VanDerWaalsContact CD1-CE2 3.47Å; L143-F228 HydrophobicContact CD1-CG 4.31Å; L143-F228 HydrophobicContact CD1-CZ 3.82Å; L143-F228 HydrophobicContact CD2-CE2 4.34Å; L143-F228 HydrophobicContact CD2-CZ 4Å; L143-F228 HydrophobicContact CG-CE1 4.45Å; L143-F228 HydrophobicContact CG-CE2 4.25Å; L143-F228 HydrophobicContact CG-CZ 4.08Å; Y168-F228 WeakPolarHBondContact CD2-O 2.93Å; L169-F228 HydrophobicContact CB-CB 3.88Å; L169-F228 HydrophobicContact CD1-CB 4.33Å; L169-F228 PolarHBondContact N-O 3.14Å; F180-F228 HydrophobicContact CB-CE1 4.42Å; F180-F228 AromaticContact CD2-CD1 3.77Å; F180-F228 HydrophobicContact CD2-CD1 3.77Å; F180-F228 AromaticContact CD2-CE1 3.43Å; F180-F228 HydrophobicContact CD2-CE1 3.43Å; F180-F228 VanDerWaalsContact CD2-CE1 3.43Å; F180-F228 AromaticContact CD2-CZ 3.93Å; F180-F228 HydrophobicContact CD2-CZ 3.93Å; F180-F228 AromaticContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CE1 4Å; F180-F228 HydrophobicContact CG-CE1 4.19Å; Y185-F228 HydrophobicContact CE1-CB 4.33Å; Y185-F228 HydrophobicContact CE1-CD2 4.08Å; Y185-F228 HydrophobicContact CE1-CG 4.34Å; Y185-F228 WeakPolarHBondContact OH-CE2 3.46Å
229I93.8Very high89.5Confident0 Ų051.8 Ų51.80%026%0.261CS..EExtended strand (participates in β ladder)trans-126.3157.4170.768.3170.1000111.2H141 V142 F144 L157 I166 N167 I220 L231 L252H141-I229 CarbonylContact C-O 3.6Å; H141-I229 WeakPolarHBondContact CA-O 3.04Å; V142-I229 HydrophobicContact CB-CD1 4.25Å; V142-I229 HydrophobicContact CB-CG1 3.74Å; V142-I229 HydrophobicContact CG2-CG1 4.37Å; V142-I229 PolarHBondContact N-O 3.14Å; V142-I229 PolarHBondContact O-N 2.82Å; F144-I229 HydrophobicContact CE2-CD1 3.68Å; F144-I229 HydrophobicContact CE2-CG1 3.89Å; F144-I229 HydrophobicContact CZ-CD1 4.27Å; L157-I229 HydrophobicContact CD1-CD1 4.03Å; L157-I229 HydrophobicContact CD1-CG2 3.87Å; I166-I229 HydrophobicContact CG2-CB 4.31Å; I166-I229 HydrophobicContact CG2-CD1 4.14Å; N167-I229 CarbonylContact O-C 3.57Å; N167-I229 VanDerWaalsContact O-CA 3.26Å; N167-I229 WeakPolarHBondContact O-CA 3.24Å; N167-I229 WeakPolarHBondContact O-CB 3.43Å; I220-I229 HydrophobicContact CD1-CG2 4Å; I229-L231 HydrophobicContact CD1-CD2 3.96Å; I229-L231 HydrophobicContact CD1-CG 4.43Å; I229-L252 HydrophobicContact CD1-CD2 3.79Å
230E94.5Very high89.4Confident30 Ų3054 Ų5414%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-118.2128172.2179.6-176.679.600109.6T139 H141 I166 N167 L169 N232T139-E230 HydrophobicContact CG2-CG 3.36Å; H141-E230 IonicContact CD2-OE2 3.99Å; H141-E230 IonicContact NE2-OE2 3.36Å; H141-E230 PolarHBondContact NE2-OE2 2.97Å; I166-E230 WeakPolarHBondContact CA-O 3.24Å; N167-E230 HydrophobicContact CB-CB 4.22Å; N167-E230 PolarHBondContact N-O 2.79Å; N167-E230 PolarHBondContact ND2-OE1 2.97Å; N167-E230 PolarHBondContact O-N 3.27Å; L169-E230 HydrophobicContact CD1-CB 4.21Å; L169-E230 HydrophobicContact CD2-CB 3.91Å; L169-E230 HydrophobicContact CG-CB 4.01Å; E230-N232 PolarHBondContact OE1-ND2 3.4Å
231L95.6Very high89.1Confident0 Ų058.6 Ų58.60%030%0.295CS..EExtended strand (participates in β ladder)trans-103.1114.3175.2-59.6-178.3000109L131 W133 T139 M140 V142 V164 A165 I166 I229 F250 L252L131-L231 HydrophobicContact CD1-CD1 4.22Å; L131-L231 HydrophobicContact CD2-CD1 3.99Å; W133-L231 HydrophobicContact CE3-CB 4.42Å; W133-L231 HydrophobicContact CE3-CD1 4.41Å; W133-L231 HydrophobicContact CZ3-CB 3.84Å; T139-L231 CarbonylContact C-O 3.59Å; T139-L231 VanDerWaalsContact CA-O 3.32Å; T139-L231 WeakPolarHBondContact CA-O 3.45Å; M140-L231 HydrophobicContact CB-CB 4.31Å; M140-L231 PolarHBondContact N-O 3.22Å; M140-L231 WeakPolarHBondContact O-CB 3.31Å; M140-L231 PolarHBondContact O-N 3.41Å; M140-L231 HydrophobicContact SD-CD1 4.12Å; V142-L231 HydrophobicContact CG2-CD1 3.95Å; V142-L231 HydrophobicContact CG2-CG 4.33Å; V164-L231 HydrophobicContact CG1-CB 3.76Å; V164-L231 HydrophobicContact CG1-CD2 4.22Å; A165-L231 WeakPolarHBondContact O-CA 3.49Å; I166-L231 HydrophobicContact CB-CD2 4.39Å; I166-L231 HydrophobicContact CG1-CD2 3.86Å; I166-L231 HydrophobicContact CG2-CD2 4.11Å; I229-L231 HydrophobicContact CD1-CD2 3.96Å; I229-L231 HydrophobicContact CD1-CG 4.43Å; L231-F250 HydrophobicContact CD1-CE1 4.14Å; L231-F250 HydrophobicContact CD2-CE1 4.25Å; L231-L252 HydrophobicContact CD2-CD2 4.14Å
232N93.2Very high88.6Confident36 Ų3654 Ų5419%0.19327%0.27CS..EExtended strand (participates in β ladder)trans-112.5121.4-177.9-79.3-38.4000111.7T139 V164 A165 N167 E230 L234T139-N232 WeakPolarHBondContact CB-OD1 3.26Å; T139-N232 WeakPolarHBondContact CG2-OD1 3.43Å; T139-N232 PolarHBondContact OG1-OD1 3.15Å; V164-N232 CarbonylContact C-O 3.49Å; V164-N232 VanDerWaalsContact CA-O 3.28Å; V164-N232 WeakPolarHBondContact CA-O 3.36Å; A165-N232 HydrophobicContact CB-CB 4.3Å; A165-N232 PolarHBondContact N-O 3.06Å; A165-N232 PolarHBondContact O-N 2.77Å; N167-N232 PolarHBondContact ND2-ND2 3.26Å; E230-N232 PolarHBondContact OE1-ND2 3.4Å; N232-L234 PolarHBondContact O-N 3.29Å
233V92.6Very high87.6Confident49 Ų4959.9 Ų59.930%0.29731%0.307SS..EExtended strand (participates in β ladder)trans-65.1130.8170.8-179.80000109.8W133 P136 Q138 N235W133-V233 HydrophobicContact CH2-CG2 4.24Å; W133-V233 HydrophobicContact CZ3-CG2 4.36Å; P136-V233 HydrophobicContact CB-CG2 3.48Å; P136-V233 VanDerWaalsContact CB-CG2 3.48Å; P136-V233 HydrophobicContact CG-CG2 3.93Å; Q138-V233 VanDerWaalsContact O-CG2 3.3Å; Q138-V233 WeakPolarHBondContact O-CG2 3.24Å; V233-N235 PolarHBondContact O-N 3.41Å
234L90.3Very high86.5Confident9 Ų962.1 Ų62.15%0.04732%0.317CS..PPolyproline II helixtrans-60.7138.1174.2-68.6-172.5000111.1G163 A165 S192 G193 L194 N232 Q238 M239 L242G163-L234 WeakPolarHBondContact O-CG 3.43Å; G163-L234 PolarHBondContact O-N 3.13Å; A165-L234 HydrophobicContact CB-CD2 4.29Å; S192-L234 WeakPolarHBondContact O-CD2 3.11Å; G193-L234 WeakPolarHBondContact O-CD1 3.22Å; L194-L234 HydrophobicContact CD2-CD1 3.81Å; L194-L234 HydrophobicContact CG-CD1 4.38Å; N232-L234 PolarHBondContact O-N 3.29Å; L234-Q238 HydrophobicContact CB-CB 3.96Å; L234-Q238 HydrophobicContact CD1-CB 4.25Å; L234-Q238 HydrophobicContact CD2-CB 4.2Å; L234-Q238 HydrophobicContact CG-CB 4.37Å; L234-M239 HydrophobicContact CB-CG 3.76Å; L234-M239 HydrophobicContact CB-SD 3.82Å; L234-M239 WeakPolarHBondContact O-CG 3.19Å; L234-L242 HydrophobicContact CD1-CD2 4.27Å
235N89.6Confident85.4Confident84 Ų8464.3 Ų64.345%0.44934%0.335SS..PPolyproline II helixtrans-68.8165.8176.869.547.1000111.1V233 K237 Q238 M239V233-N235 PolarHBondContact O-N 3.41Å; N235-K237 PolarHBondContact O-N 3.22Å; N235-K237 VanDerWaalsContact O-N 3.08Å; N235-K237 WeakPolarHBondContact OD1-CA 3.48Å; N235-K237 WeakPolarHBondContact OD1-CB 3.31Å; N235-K237 PolarHBondContact OD1-N 3.2Å; N235-Q238 VanDerWaalsContact CG-OE1 3.23Å; N235-Q238 VanDerWaalsContact N-OE1 3.11Å; N235-Q238 PolarHBondContact ND2-OE1 3.22Å; N235-Q238 PolarHBondContact O-N 2.7Å; N235-Q238 VanDerWaalsContact O-N 3.14Å; N235-Q238 PolarHBondContact OD1-N 2.76Å; N235-M239 WeakPolarHBondContact O-CB 3.16Å; N235-M239 VanDerWaalsContact O-CG 3.24Å; N235-M239 WeakPolarHBondContact O-CG 3.23Å; N235-M239 PolarHBondContact O-N 3.26Å
236K86.4Confident84.3Confident198 Ų19866.8 Ų66.886%0.86135%0.346SS*.Hα-helixtrans-54.6-32.9-177.2-68.3-176.9179.91780113.9S240K236-S240 PolarHBondContact O-N 3.28Å
237K87.9Confident83.2Confident150 Ų15069 Ų6965%0.65237%0.367SS*.Hα-helixtrans-70.9-51.9178.4-177.2-173.9173.3-172.90110.5N235 M239 S240 E241N235-K237 PolarHBondContact O-N 3.22Å; N235-K237 VanDerWaalsContact O-N 3.08Å; N235-K237 WeakPolarHBondContact OD1-CA 3.48Å; N235-K237 WeakPolarHBondContact OD1-CB 3.31Å; N235-K237 PolarHBondContact OD1-N 3.2Å; K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.3Å; K237-S240 WeakPolarHBondContact O-CB 3.45Å; K237-S240 PolarHBondContact O-N 3.05Å; K237-S240 PolarHBondContact O-OG 3.14Å; K237-E241 PolarHBondContact O-N 3.42Å
238Q86.6Confident82.7Confident65 Ų6575.8 Ų75.830%0.30439%0.393SS..Hα-helixtrans-60.6-39.1176.6-68.4170.6-52.100111.9L194 L234 N235 S240 E241L194-Q238 HydrophobicContact CD2-CB 4.32Å; L234-Q238 HydrophobicContact CB-CB 3.96Å; L234-Q238 HydrophobicContact CD1-CB 4.25Å; L234-Q238 HydrophobicContact CD2-CB 4.2Å; L234-Q238 HydrophobicContact CG-CB 4.37Å; N235-Q238 VanDerWaalsContact CG-OE1 3.23Å; N235-Q238 VanDerWaalsContact N-OE1 3.11Å; N235-Q238 PolarHBondContact ND2-OE1 3.22Å; N235-Q238 PolarHBondContact O-N 2.7Å; N235-Q238 VanDerWaalsContact O-N 3.14Å; N235-Q238 PolarHBondContact OD1-N 2.76Å; Q238-S240 PolarHBondContact O-N 2.91Å; Q238-E241 WeakPolarHBondContact O-CB 3.45Å; Q238-E241 PolarHBondContact O-N 2.79Å
239M83.7Confident82.5Confident65 Ų6576.9 Ų76.932%0.3240%0.401SS..Hα-helixtrans-60.9-32.7174.5-74.2-69.5-72.100113L234 N235 K237 E241 L242 I246L234-M239 HydrophobicContact CB-CG 3.76Å; L234-M239 HydrophobicContact CB-SD 3.82Å; L234-M239 WeakPolarHBondContact O-CG 3.19Å; N235-M239 WeakPolarHBondContact O-CB 3.16Å; N235-M239 VanDerWaalsContact O-CG 3.24Å; N235-M239 WeakPolarHBondContact O-CG 3.23Å; N235-M239 PolarHBondContact O-N 3.26Å; K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.3Å; M239-E241 PolarHBondContact O-N 2.86Å; M239-L242 HydrophobicContact CE-CD1 4.2Å; M239-L242 WeakPolarHBondContact O-CB 3.5Å; M239-L242 PolarHBondContact O-N 3.11Å; M239-L242 HydrophobicContact SD-CD1 3.63Å; M239-I246 HydrophobicContact CE-CB 4.45Å; M239-I246 HydrophobicContact CE-CD1 3.19Å; M239-I246 HydrophobicContact CE-CG1 3.82Å; M239-I246 HydrophobicContact SD-CD1 3.53Å; M239-I246 VanDerWaalsContact SD-CD1 3.53Å; M239-I246 HydrophobicContact SD-CG1 4.43Å
240S82.1Confident82.3Confident96 Ų9677 Ų7767%0.67140%0.401SS*.Hα-helixtrans-74-15.2175.873.10000113.7K236 K237 Q238K236-S240 PolarHBondContact O-N 3.28Å; K237-S240 WeakPolarHBondContact O-CB 3.45Å; K237-S240 PolarHBondContact O-N 3.05Å; K237-S240 PolarHBondContact O-OG 3.14Å; Q238-S240 PolarHBondContact O-N 2.91Å
241E80Confident82.1Confident109 Ų10977.6 Ų77.651%0.50940%0.404SS..THydrogen-bonded Turntrans-87.8-7.4176.7-62.5168.9-166.300112.1K237 Q238 M239 T243K237-E241 PolarHBondContact O-N 3.42Å; Q238-E241 WeakPolarHBondContact O-CB 3.45Å; Q238-E241 PolarHBondContact O-N 2.79Å; M239-E241 PolarHBondContact O-N 2.86Å; E241-T243 PolarHBondContact O-N 3.03Å
242L76.2Confident82Confident22 Ų2277.6 Ų77.612%0.11540%0.404CS..  trans-66.9126.9176.7-66.3177.4000110.9P162 L194 L234 M239 E244 I246P162-L242 HydrophobicContact CB-CD2 3.92Å; L194-L242 HydrophobicContact CD2-CD2 4.21Å; L194-L242 WeakPolarHBondContact O-CD2 3.36Å; L234-L242 HydrophobicContact CD1-CD2 4.27Å; M239-L242 HydrophobicContact CE-CD1 4.2Å; M239-L242 WeakPolarHBondContact O-CB 3.5Å; M239-L242 PolarHBondContact O-N 3.11Å; M239-L242 HydrophobicContact SD-CD1 3.63Å; L242-E244 WeakPolarHBondContact CB-O 3.44Å; L242-E244 PolarHBondContact O-N 2.78Å; L242-I246 HydrophobicContact CD1-CD1 3.93Å; L242-I246 HydrophobicContact CD1-CG1 3.73Å
243T68.3Low81.8Confident132 Ų13277.3 Ų77.381%0.8140%0.402SS*.SBendtrans-61.9-26.7175.3-43.50000112.3E241E241-T243 PolarHBondContact O-N 3.03Å
244E63.7Low81.7Confident121 Ų12175.4 Ų75.457%0.56539%0.39SS*.SBendtrans-127.1137.2179.4-64.2-174.6-175.900111.3L242L242-E244 WeakPolarHBondContact CB-O 3.44Å; L242-E244 PolarHBondContact O-N 2.78Å
245P63.2Low81.6Confident112 Ų11279 Ų7973%0.72740%0.403SS*.  trans-67.6136.2174.827.2-32.7000111.2S247P245-S247 PolarHBondContact O-N 3.24Å
246I67Low81.7Confident60 Ų6075.1 Ų75.131%0.30838%0.382SS..  trans-66.2105.3172-53.3-177.1000109.1V161 P162 M239 L242 R248V161-I246 HydrophobicContact CG1-CG2 4.26Å; P162-I246 WeakPolarHBondContact O-CD1 3.26Å; M239-I246 HydrophobicContact CE-CB 4.45Å; M239-I246 HydrophobicContact CE-CD1 3.19Å; M239-I246 HydrophobicContact CE-CG1 3.82Å; M239-I246 HydrophobicContact SD-CD1 3.53Å; M239-I246 VanDerWaalsContact SD-CD1 3.53Å; M239-I246 HydrophobicContact SD-CG1 4.43Å; L242-I246 HydrophobicContact CD1-CD1 3.93Å; L242-I246 HydrophobicContact CD1-CG1 3.73Å; I246-R248 WeakPolarHBondContact CG2-O 3.12Å
247S68.1Low81.7Confident100 Ų10067.7 Ų67.770%0.69935%0.353SS*.  trans-105.6-8.2177.453.20000113.1P245P245-S247 PolarHBondContact O-N 3.24Å
248R80.6Confident81.6Confident145 Ų14566.7 Ų66.755%0.54735%0.354SS..SBendtrans-127.8151.4-169.6-69.8-177.9-101.4158.8-3.2110.8V161 I246V161-R248 HydrophobicContact CG2-CB 4.43Å; I246-R248 WeakPolarHBondContact CG2-O 3.12Å
249P89.1Confident81.3Confident31 Ų3166.8 Ų66.820%0.20136%0.356CS..  trans-51.2144.7168.8-26.235.9000111.2I16 I132 I134 V161 K251I16-P249 HydrophobicContact CD1-CG 4.26Å; I132-P249 HydrophobicContact CG2-CB 3.7Å; I134-P249 HydrophobicContact CB-CB 4.48Å; I134-P249 HydrophobicContact CG1-CB 3.92Å; I134-P249 HydrophobicContact CG1-CG 3.95Å; V161-P249 WeakPolarHBondContact CG2-O 3.33Å; P249-K251 PolarHBondContact O-N 2.94Å
250F90.7Very high81.2Confident3 Ų366.8 Ų66.81%0.01336%0.358CS..EExtended strand (participates in β ladder)trans-65132.8169.9175.2-107.4000108.7L131 I132 W133 P159 V161 V164 L231 L252L131-F250 HydrophobicContact CD2-CD1 4.31Å; L131-F250 HydrophobicContact CD2-CE1 4.41Å; I132-F250 CarbonylContact C-O 3.55Å; I132-F250 WeakPolarHBondContact CA-O 3.48Å; W133-F250 HydrophobicContact CB-CB 4.33Å; W133-F250 HydrophobicContact CB-CD1 4.31Å; W133-F250 PolarHBondContact N-O 3.25Å; W133-F250 PolarHBondContact O-N 2.98Å; P159-F250 HydrophobicContact CB-CE2 3.86Å; P159-F250 HydrophobicContact CB-CZ 4.12Å; V161-F250 WeakPolarHBondContact O-CD2 3.25Å; V164-F250 HydrophobicContact CB-CD1 4.22Å; V164-F250 HydrophobicContact CB-CD2 3.67Å; V164-F250 HydrophobicContact CB-CE1 4.18Å; V164-F250 HydrophobicContact CB-CE2 3.65Å; V164-F250 HydrophobicContact CB-CG 3.96Å; V164-F250 HydrophobicContact CB-CZ 3.9Å; V164-F250 HydrophobicContact CG1-CD1 4.3Å; V164-F250 HydrophobicContact CG1-CE1 4.01Å; V164-F250 HydrophobicContact CG1-CE2 4.25Å; V164-F250 HydrophobicContact CG1-CZ 3.98Å; V164-F250 HydrophobicContact CG2-CB 3.92Å; V164-F250 HydrophobicContact CG2-CD1 4.06Å; V164-F250 HydrophobicContact CG2-CD2 3.71Å; V164-F250 HydrophobicContact CG2-CE2 4.23Å; V164-F250 HydrophobicContact CG2-CG 3.62Å; L231-F250 HydrophobicContact CD1-CE1 4.14Å; L231-F250 HydrophobicContact CD2-CE1 4.25Å; F250-L252 HydrophobicContact CE1-CB 3.78Å; F250-L252 HydrophobicContact CZ-CB 4.03Å
251K90.5Very high81.1Confident43 Ų4365.2 Ų65.219%0.18734%0.341CS..EExtended strand (participates in β ladder)trans-128.6125.5177.1178168.2170.2-124.70109.3L131 I132 E160 P249 N253L131-K251 WeakPolarHBondContact O-CA 3.35Å; I132-K251 HydrophobicContact CG1-CB 4.37Å; I132-K251 HydrophobicContact CG1-CD 4.26Å; I132-K251 HydrophobicContact CG1-CG 4.16Å; E160-K251 HydrophobicContact CB-CB 4.32Å; E160-K251 PolarHBondContact N-O 3Å; E160-K251 IonicContact OE1-NZ 2.79Å; E160-K251 PolarHBondContact OE1-NZ 2.93Å; E160-K251 WeakPolarHBondContact OE2-CD 3.4Å; E160-K251 IonicContact OE2-NZ 3.92Å; E160-K251 PolarHBondContact OE2-NZ 2.83Å; P249-K251 PolarHBondContact O-N 2.94Å; K251-N253 WeakPolarHBondContact CE-OD1 3.43Å; K251-N253 PolarHBondContact NZ-OD1 3.11Å
252L91.6Very high81.2Confident0 Ų062.6 Ų62.60%033%0.331CS..EExtended strand (participates in β ladder)trans-117.2110.8176178.564.8000108.1Y130 L131 L157 P159 I166 I229 L231 F250Y130-L252 CarbonylContact C-O 3.47Å; Y130-L252 VanDerWaalsContact CA-O 3.25Å; Y130-L252 WeakPolarHBondContact CA-O 3.27Å; L131-L252 HydrophobicContact CB-CB 4.33Å; L131-L252 PolarHBondContact N-O 2.87Å; L131-L252 PolarHBondContact O-N 3.03Å; L157-L252 HydrophobicContact CB-CD1 4.15Å; L157-L252 HydrophobicContact CD2-CD1 4.47Å; L157-L252 HydrophobicContact CD2-CD2 4.33Å; L157-L252 HydrophobicContact CD2-CG 4.48Å; P159-L252 HydrophobicContact CB-CD1 4.42Å; I166-L252 HydrophobicContact CD1-CD1 3.76Å; I229-L252 HydrophobicContact CD1-CD2 3.79Å; L231-L252 HydrophobicContact CD2-CD2 4.14Å; F250-L252 HydrophobicContact CE1-CB 3.78Å; F250-L252 HydrophobicContact CZ-CB 4.03Å
253N90.6Very high81.5Confident29 Ų2965.2 Ų65.216%0.15535%0.345CS..EExtended strand (participates in β ladder)trans-81.7148.2168.8-53.9-58.7000109.2E158 E160 K251E158-N253 HydrophobicContact CB-CB 4.32Å; E158-N253 PolarHBondContact N-O 3.06Å; E158-N253 PolarHBondContact O-N 2.8Å; E160-N253 WeakPolarHBondContact CG-ND2 3.36Å; E160-N253 PolarHBondContact OE1-ND2 3.26Å; K251-N253 WeakPolarHBondContact CE-OD1 3.43Å; K251-N253 PolarHBondContact NZ-OD1 3.11Å
254F90.6Very high82.4Confident9 Ų960.7 Ų60.74%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-138.7153.917467.8-90.6000112.5L124 S126 G129 Y130 F144 Y156 L157 L256L124-F254 HydrophobicContact CB-CE1 4.37Å; L124-F254 HydrophobicContact CB-CE2 4.31Å; L124-F254 HydrophobicContact CB-CZ 3.96Å; L124-F254 HydrophobicContact CD1-CD1 4.07Å; L124-F254 HydrophobicContact CD1-CE1 3.69Å; L124-F254 HydrophobicContact CD1-CZ 4.16Å; L124-F254 HydrophobicContact CD2-CE1 4.5Å; L124-F254 HydrophobicContact CG-CE1 4.41Å; L124-F254 HydrophobicContact CG-CZ 4.43Å; S126-F254 WeakPolarHBondContact O-CE2 3.32Å; G129-F254 VanDerWaalsContact C-CD1 3.44Å; G129-F254 VanDerWaalsContact CA-CE1 3.49Å; G129-F254 VanDerWaalsContact CA-CZ 3.48Å; G129-F254 PolarHBondContact N-O 3.1Å; G129-F254 WeakPolarHBondContact O-CD1 3.36Å; G129-F254 PolarHBondContact O-N 3.24Å; Y130-F254 VanDerWaalsContact N-CE1 3.28Å; F144-F254 HydrophobicContact CD1-CD2 4.13Å; F144-F254 HydrophobicContact CD1-CE2 4.49Å; F144-F254 HydrophobicContact CD1-CG 4.39Å; F144-F254 HydrophobicContact CE1-CB 3.81Å; F144-F254 AromaticContact CE1-CD1 3.92Å; F144-F254 HydrophobicContact CE1-CD1 3.92Å; F144-F254 AromaticContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CE1 4.4Å; F144-F254 HydrophobicContact CE1-CE2 4.22Å; F144-F254 AromaticContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CZ-CB 4.27Å; F144-F254 HydrophobicContact CZ-CG 4.35Å; Y156-F254 CarbonylContact O-C 3.54Å; Y156-F254 WeakPolarHBondContact O-CA 3.35Å; L157-F254 HydrophobicContact CD2-CB 3.83Å; F254-L256 HydrophobicContact CD2-CD2 4.34Å; F254-L256 HydrophobicContact CD2-CG 4.37Å
255R88.2Confident83.7Confident85 Ų8556.4 Ų56.432%0.32130%0.296SS..EExtended strand (participates in β ladder)trans-141.9132.4169177.6175.9-170-150.96109.6E127 T128 Y156 F213 V257E127-R255 CarbonylContact O-C 3.54Å; E127-R255 VanDerWaalsContact O-CA 3.27Å; E127-R255 WeakPolarHBondContact O-CA 3.47Å; T128-R255 HydrophobicContact CG2-CB 4.18Å; T128-R255 HydrophobicContact CG2-CG 3.83Å; Y156-R255 WeakPolarHBondContact CB-O 3.48Å; Y156-R255 PolarHBondContact N-O 3.16Å; Y156-R255 PolarHBondContact O-N 3.39Å; F213-R255 VanDerWaalsContact CD2-NH1 3.25Å; R255-V257 HydrophobicContact CG-CG2 4Å
256L90Very high85.3Confident3 Ų352.2 Ų52.22%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-104.1137.9174.1-44.7-175.1000108.2S126 E127 F144 T145 Y146 F153 L154 C155 F254S126-L256 VanDerWaalsContact O-CD1 3.26Å; S126-L256 WeakPolarHBondContact O-CD1 3.38Å; S126-L256 WeakPolarHBondContact O-CG 3.09Å; E127-L256 PolarHBondContact O-N 3.17Å; F144-L256 HydrophobicContact CB-CD2 4.23Å; F144-L256 HydrophobicContact CD1-CD2 3.91Å; F144-L256 HydrophobicContact CG-CD2 4.33Å; T145-L256 WeakPolarHBondContact O-CD1 3.36Å; Y146-L256 HydrophobicContact CD2-CB 3.6Å; Y146-L256 HydrophobicContact CE2-CB 3.95Å; F153-L256 HydrophobicContact CD2-CB 4.09Å; F153-L256 HydrophobicContact CD2-CD2 4.07Å; F153-L256 HydrophobicContact CD2-CG 4.46Å; F153-L256 HydrophobicContact CE2-CD1 4.28Å; F153-L256 HydrophobicContact CE2-CD2 3.79Å; F153-L256 HydrophobicContact CE2-CG 4.43Å; L154-L256 WeakPolarHBondContact O-CA 3.35Å; C155-L256 HydrophobicContact CB-CD2 4.17Å; F254-L256 HydrophobicContact CD2-CD2 4.34Å; F254-L256 HydrophobicContact CD2-CG 4.37Å
257V87.1Confident86.8Confident42 Ų4251.5 Ų51.526%0.25526%0.259SS..EExtended strand (participates in β ladder)trans-134.9121.6-179.2-178.40000108.3F153 L154 Y156 R255F153-V257 CarbonylContact C-O 3.54Å; F153-V257 WeakPolarHBondContact CA-O 3.5Å; F153-V257 WeakPolarHBondContact CB-O 3.4Å; L154-V257 PolarHBondContact N-O 3.07Å; L154-V257 PolarHBondContact O-N 2.93Å; Y156-V257 HydrophobicContact CD2-CG2 3.98Å; Y156-V257 HydrophobicContact CE2-CB 4.22Å; Y156-V257 HydrophobicContact CE2-CG2 3.71Å; R255-V257 HydrophobicContact CG-CG2 4Å
258L85.1Confident88.5Confident128 Ų12847.1 Ų47.167%0.6722%0.219SC*.  trans-70.60168.5-72.1169.7000111.5Y146 C151 F153Y146-L258 HydrophobicContact CD1-CD1 3.59Å; Y146-L258 HydrophobicContact CD1-CD2 3.93Å; Y146-L258 HydrophobicContact CD1-CG 3.63Å; Y146-L258 HydrophobicContact CD2-CD2 4.1Å; Y146-L258 HydrophobicContact CD2-CG 3.74Å; Y146-L258 HydrophobicContact CE1-CD1 3.32Å; Y146-L258 HydrophobicContact CE1-CD2 4.4Å; Y146-L258 HydrophobicContact CE1-CG 3.6Å; Y146-L258 HydrophobicContact CE2-CB 4.41Å; Y146-L258 HydrophobicContact CE2-CD1 4.3Å; Y146-L258 HydrophobicContact CE2-CG 3.68Å; Y146-L258 HydrophobicContact CG-CD1 4.22Å; Y146-L258 HydrophobicContact CG-CD2 3.77Å; Y146-L258 HydrophobicContact CG-CG 3.71Å; C151-L258 HydrophobicContact CB-CD2 3.54Å; F153-L258 HydrophobicContact CB-CD2 4.3Å

Retrieved 258 of 258 residues in 162.6 ms (Link to these results)