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Peroxisomal membrane protein PEX13

Component of the PEX13-PEX14 docking complex, a translocon channel that specifically mediates the import of peroxisomal cargo proteins bound to PEX5 receptor. The PEX13-PEX14 docking complex forms a large import pore which can be opened to a diameter of about 9 nm. Mechanistically, PEX5 receptor along with cargo proteins associates with the PEX14 subunit of the PEX13-PEX14 docking complex in the cytosol, leading to the insertion of the receptor into the organelle membrane with the concomitant translocation of the cargo into the peroxisome matrix. Involved in the import of PTS1- and PTS2-type containing proteins.

AlphaFold DB , UniProt , Accession A0A096NG93, Species PAPAN (Papio anubis, Olive baboon), Gene PEX13, Length 403 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
1M44.2Very low59.7Low249 Ų249136.5 Ų136.5100%1.22782%0.817SS**  0103.10-78.3168.7146.700107.3
2A41.6Very low60.1Low106 Ų106140.8 Ų140.888%0.87681%0.808SS**PPolyproline II helixtrans-87.3124-17900000109.5
3S48.9Very low59.8Low119 Ų119139.2 Ų139.283%0.83279%0.789SS**PPolyproline II helixtrans-80.3124.2175.839.40000110.3
4Q57.6Low59.2Low186 Ų186138.3 Ų138.387%0.86979%0.788SS**PPolyproline II helixtrans-75145.3172.7-72-168.3-21.200111.2
5P67.7Low58.8Low115 Ų115145 Ų14575%0.74780%0.795SS**PPolyproline II helixtrans-78.4153.917331.4-32.1000112
6P69.1Low57.8Low120 Ų120149.9 Ų149.978%0.77980%0.799SS**PPolyproline II helixtrans-71152.6-176.228.8-34.4000112.9
7P67Low57Low117 Ų117149.8 Ų149.876%0.7680%0.796SS**PPolyproline II helixtrans-72.4152-178.229.5-34.6000112.7
8P70.6Confident55.8Low114 Ų114149 Ų14974%0.7480%0.801SS**PPolyproline II helixtrans-71.2146.6179.828.6-34000112.4
9P70Confident55.1Low116 Ų116145.2 Ų145.275%0.75380%0.8SS**PPolyproline II helixtrans-71.9150.5-176.428.4-33.8000112.9
10K65.9Low54.1Low135 Ų135143.4 Ų143.459%0.58781%0.805SS**PPolyproline II helixtrans-85.8146.9-174.2-67.4175.2-176.4173.90111.3W12 E13K10-W12 PolarHBondContact O-N 3.08Å; K10-E13 PolarHBondContact O-N 3.47Å
11P54Low53.1Low125 Ų125140 Ų14081%0.81280%0.802SS**THydrogen-bonded Turntrans-70.2-0.3-167.226.4-35.4000116.3
12W64.3Low53.2Low187 Ų187134.9 Ų134.971%0.70879%0.788SS**THydrogen-bonded Turntrans-103.6-3.5179.856.7-94.6000113.8K10K10-W12 PolarHBondContact O-N 3.08Å
13E57Low52.9Low120 Ų120133.1 Ų133.156%0.56178%0.78SS**THydrogen-bonded Turntrans-83.1-8.2177.1-77177.1144.100113.8K10 R15K10-E13 PolarHBondContact O-N 3.47Å; E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.38Å
14T51.5Low52.8Low127 Ų127134.1 Ų134.178%0.77978%0.783SS**THydrogen-bonded Turntrans-83.611-174.2-17.50000115.1R16T14-R16 PolarHBondContact O-N 3.24Å
15R52.3Low51.7Low239 Ų239128.5 Ų128.590%0.90278%0.775SS**  trans-95.774.7177.1-163.9-179.1-83.7-121.32.2110.8E13E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.38Å
16R43.7Very low50.6Low224 Ų224129.4 Ų129.485%0.84578%0.781SS**  trans-114.5108.7160.7-67-143.9-167.4-147.67.4110.8T14T14-R16 PolarHBondContact O-N 3.24Å
17I43Very low48.8Very low148 Ų148127.3 Ų127.376%0.75978%0.781SS**  trans29.3110.1134.5-48.4171.6000116
18P36.1Very low47.9Very low135 Ų135127.4 Ų127.488%0.87778%0.782SS**SBendtrans-77.4125166.4-5.122.5000110.1
19G42.2Very low46.1Very low76 Ų76127.8 Ų127.878%0.78478%0.782SS**  trans118.168.2162.800000115.4
20A35Very low44.4Very low109 Ų109132.1 Ų132.190%0.90179%0.79SS**  trans-161.2102.1152.800000109.5
21G34.4Very low42.9Very low73 Ų73133.9 Ų133.975%0.75380%0.8SS**  trans-165.9121.4172.200000109.3
22P45.8Very low41.8Very low141 Ų141133.3 Ų133.392%0.91680%0.799SS**  trans-91.1140.8-168.935.2-31.5000111.6
23G35.1Very low40.3Very low69 Ų69128.8 Ų128.871%0.71180%0.801SS**  trans-174.6124.5171.600000111.2
24P46Very low39.2Very low140 Ų140131 Ų13191%0.90982%0.818SS**  trans-90.6131.2-177.434.3-28.8000110.6
25G34.8Very low38.4Very low68 Ų68133.8 Ų133.870%0.70183%0.826SS**  trans-170.6130.2173.700000111.2
26P44.7Very low37.5Very low134 Ų134125.3 Ų125.387%0.8781%0.813SS**  trans-96.6136.5-165.635.6-31.5000114.1
27G32.6Very low37.5Very low76 Ų76121.1 Ų121.178%0.78482%0.815SS**  trans73.2166.5152.900000118.3
28P46.6Very low37.3Very low120 Ų120120.3 Ų120.378%0.77982%0.818SS**  cis-122.716115.435.3-18.3000116.3
29T33.4Very low37.4Very low121 Ų121121.9 Ų121.974%0.74282%0.818SS**  trans-57.7140.3170.218.60000115.3
30F35.1Very low37Very low208 Ų208127.8 Ų127.891%0.91283%0.827SS**  trans-130.1114.1144.9-82.7-80.7000109.7
31Q32.7Very low37.1Very low172 Ų172128.8 Ų128.880%0.80482%0.822SS**  trans-66.9157.7156.8-71.7172.93.500108.7
32S32.3Very low37.2Very low112 Ų112135.9 Ų135.978%0.78383%0.826SS**  cis-173.5154.5-7-82.20000105.3
33A32.9Very low36.9Very low92 Ų92135.4 Ų135.476%0.7682%0.823SS**  trans-175.9104.5141.400000111.3
34D32.6Very low37.1Very low168 Ų168135 Ų13590%0.89882%0.819SS**  trans43.5134138.5-62.2-36000123.7
35L34.5Very low36.8Very low184 Ų184137.2 Ų137.296%0.96382%0.818SS**  trans-77139.4-176.5-68.2152.9000112.9
36G33.8Very low37.4Very low61 Ų61139.7 Ų139.763%0.62982%0.821SS**  trans-148.5134.3155.900000109.5T38G36-T38 PolarHBondContact O-N 3.5Å
37P45Very low37.6Very low136 Ų136138 Ų13888%0.88382%0.819SS**  trans-91.4104.6-16634.1-29.8000111
38T38Very low38.3Very low132 Ų132141.8 Ų141.881%0.8182%0.82SS**  trans-129.2105.8166.948.20000110.8G36G36-T38 PolarHBondContact O-N 3.5Å
39L38.4Very low38.6Very low168 Ų168142.4 Ų142.488%0.8882%0.822SS**  trans18.5108.3150.8-78.5150.5000116.8T41L39-T41 PolarHBondContact O-N 2.8Å
40M33.1Very low40Very low200 Ų200143.8 Ų143.899%0.98581%0.813SS**  trans-53.997.5166.8-72.3-87.7153.300111.2
41T37.8Very low41.7Very low129 Ų129139.8 Ų139.879%0.79181%0.805SS**  trans-92.9111.6159.2-530000107.4L39L39-T41 PolarHBondContact O-N 2.8Å
42R36.8Very low43.6Very low223 Ų223134.8 Ų134.884%0.84279%0.788SS**  trans-43132.9166.8168.7-174.8-95.9-159.7-6.6109.5G44R42-G44 VanDerWaalsContact C-N 3.33Å; R42-G44 PolarHBondContact O-N 3.41Å
43P37.9Very low45.9Very low130 Ų130131.1 Ų131.184%0.84476%0.761SS**  trans-70.193.7174.426.8-29.8000109
44G40.3Very low47.9Very low62 Ų62132.1 Ų132.164%0.63976%0.76SS**PPolyproline II helixtrans-72.8143.9162.900000109.3R42R42-G44 VanDerWaalsContact C-N 3.33Å; R42-G44 PolarHBondContact O-N 3.41Å
45Q40.3Very low49.9Very low186 Ų186127.4 Ų127.487%0.86973%0.734SS**PPolyproline II helixtrans-48.9147.9178.8-65.2172.9-64.300111.9A47Q45-A47 PolarHBondContact O-N 3.01Å
46P46.4Very low51.9Low119 Ų119121.7 Ų121.777%0.77371%0.705SS**PPolyproline II helixtrans-59.6124.5179.724.8-32.3000109.4L48P46-L48 VanDerWaalsContact C-N 3.29Å; P46-L48 PolarHBondContact O-N 3.16Å
47A49.1Very low53.9Low99 Ų99122.9 Ų122.982%0.81870%0.701SS**  trans-62.893.3171.600000108.2Q45 T49Q45-A47 PolarHBondContact O-N 3.01Å; A47-T49 PolarHBondContact O-N 3.27Å; A47-T49 VanDerWaalsContact O-N 3.15Å
48L46.8Very low55.5Low155 Ų155118.7 Ų118.781%0.81267%0.668SS**  trans-53121.3160-74.9164000106.1P46 R50P46-L48 VanDerWaalsContact C-N 3.29Å; P46-L48 PolarHBondContact O-N 3.16Å; L48-R50 PolarHBondContact O-N 3.27Å
49T52.4Low57Low133 Ų133112.9 Ų112.982%0.81663%0.632SS**  trans-54.290.3170.948.30000108.2A47 V51A47-T49 PolarHBondContact O-N 3.27Å; A47-T49 VanDerWaalsContact O-N 3.15Å; T49-V51 PolarHBondContact O-N 3.45Å
50R64Low58.2Low151 Ų151107.1 Ų107.157%0.5761%0.606SS**  trans-76.398.6-177.7-160.6177.4-168-150.50.7105.5L48 E280 Y281L48-R50 PolarHBondContact O-N 3.27Å; R50-E280 IonicContact CZ-OE2 4Å; R50-E280 IonicContact NH1-OE1 3.02Å; R50-E280 IonicContact NH1-OE2 3.36Å; R50-E280 PolarHBondContact NH1-OE2 3.34Å; R50-E280 IonicContact NH2-OE2 3.65Å; R50-Y281 HydrophobicContact CB-CE1 3.91Å; R50-Y281 WeakPolarHBondContact CD-OH 3.42Å; R50-Y281 HydrophobicContact CG-CE1 3.71Å; R50-Y281 WeakPolarHBondContact CG-OH 3.39Å; R50-Y281 PolarHBondContact NE-OH 2.83Å; R50-Y281 PolarHBondContact NH1-OH 3.36Å
51V71.4Confident59.4Low123 Ų123103.6 Ų103.675%0.74559%0.587SS**PPolyproline II helixtrans-52.5123.6173.6178.60000107.1T49T49-V51 PolarHBondContact O-N 3.45Å
52P72Confident60.3Low67 Ų67101.7 Ų101.744%0.43557%0.569SS.*PPolyproline II helixtrans-64.4140.8-175.826.4-34.1000109.5Y281 Y330P52-Y281 HydrophobicContact CB-CD1 3.94Å; P52-Y281 HydrophobicContact CB-CE1 4.41Å; P52-Y281 HydrophobicContact CB-CG 4.26Å; P52-Y330 HydrophobicContact CB-CE1 4.19Å
53P79.3Confident60.9Low35 Ų3596.9 Ų96.923%0.22757%0.565CS.*PPolyproline II helixtrans-61.4151.6179.325.5-32.9000110.6I55 Y281 N329 Y330P53-I55 PolarHBondContact O-N 3.13Å; P53-Y281 HydrophobicContact CG-CE2 4.13Å; P53-N329 HydrophobicContact CG-CB 4.16Å; P53-Y330 HydrophobicContact CG-CD2 4.35Å; P53-Y330 HydrophobicContact CG-CE2 4.03Å; P53-Y330 WeakPolarHBondContact O-CE2 3.28Å; P53-Y330 PolarHBondContact O-OH 3.06Å
54P76.2Confident61.2Low114 Ų11494.1 Ų94.174%0.7456%0.56SS**PPolyproline II helixtrans-57.6133.4178.724.1-33.1000110.4
55I75.1Confident61.3Low68 Ų6894.7 Ų94.735%0.34955%0.554SS.*PPolyproline II helixtrans-71.6131.2177.9-56169.9000107.5P53 F283 W313 Y330P53-I55 PolarHBondContact O-N 3.13Å; I55-F283 HydrophobicContact CD1-CE2 4.25Å; I55-W313 HydrophobicContact CG2-CH2 4.27Å; I55-W313 HydrophobicContact CG2-CZ2 4.01Å; I55-Y330 HydrophobicContact CG1-CE2 3.83Å; I55-Y330 WeakPolarHBondContact CG1-OH 3.02Å
56L76Confident61.3Low65 Ų6591.6 Ų91.634%0.3455%0.553SS.*PPolyproline II helixtrans-64.7157174.1-65.6173000110.1R58L56-R58 PolarHBondContact O-N 3.49Å; L56-R58 VanDerWaalsContact O-N 3.16Å
57P75.9Confident61Low86 Ų8690.1 Ų90.156%0.55855%0.545SS*.PPolyproline II helixtrans-49.9126.1179.4-26.333.9000111.3Q62 W313P57-Q62 PolarHBondContact O-NE2 3.04Å; P57-Q62 VanDerWaalsContact O-NE2 3.1Å; P57-W313 PolarHBondContact O-NE1 2.84Å
58R78.2Confident60.8Low48 Ų4891.6 Ų91.618%0.18154%0.544CS..PPolyproline II helixtrans-65.7144-174.1-68.2179.2-177.8-1187.3110.8L56 S60 Q61 Q62 V286 E290 W313L56-R58 PolarHBondContact O-N 3.49Å; L56-R58 VanDerWaalsContact O-N 3.16Å; R58-S60 VanDerWaalsContact C-N 3.28Å; R58-S60 PolarHBondContact O-N 3.36Å; R58-Q61 HydrophobicContact CB-CG 4.4Å; R58-Q61 PolarHBondContact O-N 3.49Å; R58-Q62 PolarHBondContact O-N 3.25Å; R58-V286 VanDerWaalsContact NH1-CB 3.27Å; R58-E290 IonicContact CZ-OE1 2.72Å; R58-E290 IonicContact CZ-OE2 3.41Å; R58-E290 VanDerWaalsContact NH1-CD 3.28Å; R58-E290 IonicContact NH1-OE1 3.3Å; R58-E290 PolarHBondContact NH1-OE1 2.94Å; R58-E290 IonicContact NH1-OE2 3.75Å; R58-E290 PolarHBondContact NH1-OE2 3.23Å; R58-W313 HydrophobicContact CB-CH2 4.48Å; R58-W313 HydrophobicContact CB-CZ2 4.14Å; R58-W313 HydrophobicContact CG-CH2 3.95Å; R58-W313 HydrophobicContact CG-CZ2 3.8Å
59P68.8Low60.4Low10 Ų1092.1 Ų92.17%0.06555%0.548CS..Hα-helixtrans-63.4-36.9-175.5-19.936000111.6Q61 Q62 T63 V310 W313 L325P59-Q61 PolarHBondContact O-N 3.48Å; P59-Q62 WeakPolarHBondContact O-CB 3.36Å; P59-Q62 PolarHBondContact O-N 2.79Å; P59-T63 PolarHBondContact O-N 3.24Å; P59-V310 HydrophobicContact CB-CG1 3.92Å; P59-V310 HydrophobicContact CG-CG1 3.81Å; P59-W313 VanDerWaalsContact CD-CE2 3.44Å; P59-W313 HydrophobicContact CG-CB 4.24Å; P59-W313 HydrophobicContact CG-CD2 3.55Å; P59-W313 HydrophobicContact CG-CE3 4.04Å; P59-W313 HydrophobicContact CG-CG 3.59Å; P59-W313 HydrophobicContact CG-CZ2 4.48Å; P59-L325 HydrophobicContact CB-CD1 4.09Å; P59-L325 HydrophobicContact CG-CD1 3.88Å
60S63.6Low59.8Low47 Ų4791.4 Ų91.433%0.32954%0.544SS..Hα-helixtrans-62.1-22.8175.856.70000114.3R58 T63R58-S60 VanDerWaalsContact C-N 3.28Å; R58-S60 PolarHBondContact O-N 3.36Å; S60-T63 PolarHBondContact O-OG1 2.71Å; S60-T63 VanDerWaalsContact O-OG1 3.14Å
61Q59.9Low58.4Low125 Ų12594.2 Ų94.258%0.58456%0.56SS**Hα-helixtrans-86.6-25.2174.1-66.4-178.5-11.100111.8R58 P59 G64 S65R58-Q61 HydrophobicContact CB-CG 4.4Å; R58-Q61 PolarHBondContact O-N 3.49Å; P59-Q61 PolarHBondContact O-N 3.48Å; Q61-G64 PolarHBondContact O-N 2.81Å; Q61-S65 PolarHBondContact O-N 3.38Å; Q61-S65 PolarHBondContact O-OG 3.28Å
62Q56Low56.7Low89 Ų8999.6 Ų99.642%0.41657%0.567SS.*Hα-helixtrans-75.5-26.2-179.9-65178.816.200112.7P57 R58 P59 G64P57-Q62 PolarHBondContact O-NE2 3.04Å; P57-Q62 VanDerWaalsContact O-NE2 3.1Å; R58-Q62 PolarHBondContact O-N 3.25Å; P59-Q62 WeakPolarHBondContact O-CB 3.36Å; P59-Q62 PolarHBondContact O-N 2.79Å; Q62-G64 PolarHBondContact O-N 3.22Å
63T49.6Very low55.1Low123 Ų123102.4 Ų102.476%0.75559%0.585SS**THydrogen-bonded Turntrans-72.4-15.2174.939.50000113.5P59 S60P59-T63 PolarHBondContact O-N 3.24Å; S60-T63 PolarHBondContact O-OG1 2.71Å; S60-T63 VanDerWaalsContact O-OG1 3.14Å
64G43.7Very low52.9Low72 Ų72105.4 Ų105.474%0.74261%0.613SS**THydrogen-bonded Turntrans-107.8-10.7177.700000115.7Q61 Q62Q61-G64 PolarHBondContact O-N 2.81Å; Q62-G64 PolarHBondContact O-N 3.22Å
65S42.9Very low50.9Low73 Ų73110.8 Ų110.851%0.5162%0.62SS.*  trans-124.254.8-173.575.70000112.7Q61 S67Q61-S65 PolarHBondContact O-N 3.38Å; Q61-S65 PolarHBondContact O-OG 3.28Å; S65-S67 PolarHBondContact O-N 2.9Å; S65-S67 VanDerWaalsContact O-N 3.09Å
66S40Very low48.7Very low121 Ų121113.3 Ų113.385%0.84664%0.644SS**  trans-82.259.7163.8580000110.4
67S39.2Very low46.9Very low88 Ų88115.5 Ų115.562%0.61567%0.665SS**  trans-120.695.4165.956.60000108.2S65 N69S65-S67 PolarHBondContact O-N 2.9Å; S65-S67 VanDerWaalsContact O-N 3.09Å; S67-N69 PolarHBondContact O-N 2.91Å
68V46.3Very low44.8Very low131 Ų131121.7 Ų121.779%0.79468%0.683SS**  trans19.992.9147.8-78.20000116
69N37.4Very low42.9Very low166 Ų166125.1 Ų125.189%0.88871%0.714SS**  trans-121.585151.6-104.3-18.3000108.7S67S67-N69 PolarHBondContact O-N 2.91Å
70T39.4Very low41.3Very low118 Ų118130.4 Ų130.472%0.72475%0.752SS**  trans-54.9132.5166.6-55.90000109.7R72T70-R72 PolarHBondContact O-N 2.86Å; T70-R72 VanDerWaalsContact O-N 3.17Å
71F36.2Very low39.8Very low209 Ų209131.3 Ų131.392%0.91777%0.768SS**  trans-34.5115.8165.9-90.2-105000112.1
72R34.9Very low38.5Very low237 Ų237137.2 Ų137.289%0.89479%0.787SS**  trans-107.5134.9159.2-93.2-166.9174-136.21.2109.4T70T70-R72 PolarHBondContact O-N 2.86Å; T70-R72 VanDerWaalsContact O-N 3.17Å
73P39.2Very low37.4Very low126 Ų126136.3 Ų136.382%0.81880%0.802SS**  trans-72.4140.8177.229.9-32.4000110.8Y75P73-Y75 PolarHBondContact O-N 3.32Å
74A33.1Very low36.6Very low98 Ų98134.6 Ų134.681%0.8180%0.8SS**  trans-73.8100.8178.900000111
75Y32.6Very low36Very low227 Ų227142.8 Ų142.889%0.8981%0.81SS**  trans-148.999.6153.6-102.4-84.6000108.3P73P73-Y75 PolarHBondContact O-N 3.32Å
76S29.9Very low35.5Very low121 Ų121143.1 Ų143.185%0.84683%0.825SS**  trans158.895.1147.8450000109.3F78S76-F78 PolarHBondContact O-N 3.46Å
77S38.7Very low35.3Very low111 Ų111144.7 Ų144.778%0.77682%0.824SS**  trans-58.5117.2155.9-7.50000108
78F30.8Very low35.1Very low215 Ų215145.6 Ų145.694%0.94383%0.831SS**  trans-162127.9137.6-98.2-71.4000109.5S76S76-F78 PolarHBondContact O-N 3.46Å
79S39.3Very low34.5Very low120 Ų120148.1 Ų148.184%0.83983%0.831SS**  trans-53.7136.1174.9-1790000111.8
80S34.2Very low34.4Very low121 Ų121150.9 Ų150.985%0.84683%0.831SS**  trans-147.9104.3157.3-163.60000111.2
81G33Very low34.1Very low66 Ų66148.5 Ų148.568%0.6883%0.83SS**  50.6109.1123.400000119.3
82Y33Very low33.8Very low249 Ų249144.4 Ų144.498%0.97683%0.827SS**  trans-33.5137.4150.6-105.6-106.9000115
83G32.4Very low33.8Very low70 Ų70143.2 Ų143.272%0.72282%0.824SS**  trans172.485.3163.200000109.3
84A32.4Very low33.4Very low87 Ų87143 Ų14372%0.71983%0.825SS**  57.610881.900000114
85Y30.4Very low33.9Very low245 Ų245142.6 Ų142.696%0.96181%0.814SS**  trans54.1120.6152-80.5-94.9000119.8
86G33.5Very low34Very low80 Ų80142.4 Ų142.483%0.82581%0.813SS**  trans173.773.2164.700000114.3
87N36.3Very low34.2Very low153 Ų153142.5 Ų142.582%0.81881%0.814SS**  trans-64124.1164.6-167.147.1000109.2
88S34.8Very low34.2Very low108 Ų108147.7 Ų147.776%0.75582%0.818SS**  trans-155.881.3158.5-147.60000111.3
89F33.3Very low34.4Very low184 Ų184141 Ų14181%0.80781%0.811SS**  trans-66.6137.7146.2-86.8-102.6000107.6
90Y34.6Very low34.2Very low224 Ų224145.1 Ų145.188%0.87881%0.809SS**  trans87.7127176.2-93.2-98.2000119.8
91G33.9Very low34.4Very low68 Ų68146.6 Ų146.670%0.70181%0.808SS**  trans94.6138.3157.200000114.3
92S30.2Very low34.6Very low122 Ų122146.9 Ų146.985%0.85381%0.81SS**  cis-165.8152.9-2.3-1000000107.5
93Y33.5Very low34.8Very low213 Ų213143.7 Ų143.784%0.83581%0.809SS**  trans-42.6132.9160.9-137.2-108.4000112.2P95Y93-P95 HydrophobicContact CD1-CG 4.36Å; Y93-P95 HydrophobicContact CE1-CG 4.36Å
94S32.4Very low34.8Very low121 Ų121143.2 Ų143.285%0.84680%0.804SS**  trans-151.8108.5154-95.20000111
95P42.5Very low34.9Very low90 Ų90149.3 Ų149.358%0.58481%0.81SS**  trans-90.1144.6170.535.6-27.6000109.5Y93Y93-P95 HydrophobicContact CD1-CG 4.36Å; Y93-P95 HydrophobicContact CE1-CG 4.36Å
96Y35.7Very low35.3Very low222 Ų222144.3 Ų144.387%0.87180%0.8SS**  trans66.4108.5175.6-73.7-88.7000117.5
97S32.4Very low35.5Very low124 Ų124152.3 Ų152.387%0.86781%0.806SS**  trans-14098.5150.2-173.10000109.4
98Y40.1Very low35.6Very low219 Ų219152.2 Ų152.286%0.85980%0.804SS**  trans-70.6127.5161.1-117.3-94.5000107.8
99G34.4Very low36Very low76 Ų76156.7 Ų156.778%0.78481%0.805SS**  trans-154.6101.3179.200000111.1
100Y36.2Very low36.7Very low205 Ų205152.8 Ų152.880%0.80480%0.795SS**  trans-71.8151.3177.9-130.2-99.6000111.7
101N37.7Very low37.1Very low153 Ų153148.4 Ų148.482%0.81879%0.787SS**  trans73.7125.9163.5-78.6-17.7000120.1
102G36.7Very low37.6Very low71 Ų71150.7 Ų150.773%0.73278%0.783SS**  trans167.146.4159.100000117.9
103L37.9Very low39Very low183 Ų183151.6 Ų151.696%0.95878%0.778SS**  trans34.5121.1147-71.2156.1000119.6
104G32.1Very low40.4Very low60 Ų60146.6 Ų146.662%0.61977%0.771SS**  trans135.2102.5130.300000116.9
105Y33.7Very low41.8Very low215 Ų215144.4 Ų144.484%0.84375%0.754SS**  trans107.4110.8138.8-67.8-75.8000119.2
106N39.7Very low43.1Very low140 Ų140143.1 Ų143.175%0.74975%0.748SS**  trans59.480.4140.5-66.8-41.8000117.5
107R37.8Very low44.9Very low248 Ų248143 Ų14394%0.93675%0.745SS**  trans-103.6118.6131.2-100.3-170.9-177.2-174.72.3109R109R107-R109 PolarHBondContact O-N 3.14Å
108L38.8Very low47.2Very low151 Ų151145.1 Ų145.179%0.79174%0.739SS**  trans-35.8112162.5-88.573.8000109.8V110L108-V110 HydrophobicContact CB-CG2 4.18Å; L108-V110 HydrophobicContact CD2-CG2 4.25Å; L108-V110 PolarHBondContact O-N 3.07Å
109R42.3Very low49.1Very low202 Ų202138.2 Ų138.276%0.76272%0.72SS**  trans-71.489.2157-99.7-161168.2-178.60.1107.3R107 D112R107-R109 PolarHBondContact O-N 3.14Å; R109-D112 WeakPolarHBondContact CD-OD2 3.3Å; R109-D112 IonicContact CZ-OD1 2.66Å; R109-D112 VanDerWaalsContact CZ-OD1 3.3Å; R109-D112 IonicContact CZ-OD2 3.45Å; R109-D112 IonicContact NE-OD1 2.76Å; R109-D112 IonicContact NE-OD2 3.56Å; R109-D112 IonicContact NH1-OD1 3.77Å; R109-D112 PolarHBondContact NH1-OD1 2.79Å; R109-D112 IonicContact NH1-OD2 3.61Å; R109-D112 PolarHBondContact NH1-OD2 3.28Å; R109-D112 IonicContact NH2-OD1 3.1Å
110V47.6Very low51.3Low101 Ų101139.5 Ų139.561%0.61271%0.706SS**  trans-82.7119.5159.4173.90000105.7L108L108-V110 HydrophobicContact CB-CG2 4.18Å; L108-V110 HydrophobicContact CD2-CG2 4.25Å; L108-V110 PolarHBondContact O-N 3.07Å
111D43.2Very low53.5Low132 Ų132136.2 Ų136.271%0.70670%0.698SS**  trans64.879.4164.9-57.3-37.4000117.6L113D111-L113 PolarHBondContact O-N 2.99Å
112D44.9Very low55.6Low116 Ų116130.6 Ų130.662%0.6267%0.673SS**  trans-6855.7149.8-79.9-46.8000110.2R109R109-D112 WeakPolarHBondContact CD-OD2 3.3Å; R109-D112 IonicContact CZ-OD1 2.66Å; R109-D112 VanDerWaalsContact CZ-OD1 3.3Å; R109-D112 IonicContact CZ-OD2 3.45Å; R109-D112 IonicContact NE-OD1 2.76Å; R109-D112 IonicContact NE-OD2 3.56Å; R109-D112 IonicContact NH1-OD1 3.77Å; R109-D112 PolarHBondContact NH1-OD1 2.79Å; R109-D112 IonicContact NH1-OD2 3.61Å; R109-D112 PolarHBondContact NH1-OD2 3.28Å; R109-D112 IonicContact NH2-OD1 3.1Å
113L58.7Low57.7Low142 Ų142132 Ų13274%0.74366%0.66SS**PPolyproline II helixtrans-98.2120.3159.2-138.275.6000105.7D111 P115D111-L113 PolarHBondContact O-N 2.99Å; L113-P115 VanDerWaalsContact O-N 3.14Å
114P62.8Low59.8Low107 Ų107130.1 Ų130.170%0.69565%0.646SS**PPolyproline II helixtrans-53.6128.6178.422.2-31.6000107.4S116P114-S116 PolarHBondContact O-N 3.39Å
115P62.1Low62.3Low75 Ų75131.4 Ų131.449%0.48765%0.646SS.*PPolyproline II helixtrans-50.6122.7175.722.2-32000105.8L113 R117 Q120L113-P115 VanDerWaalsContact O-N 3.14Å; P115-R117 PolarHBondContact O-N 2.75Å; P115-R117 VanDerWaalsContact O-N 3.17Å; P115-Q120 HydrophobicContact CB-CB 4.41Å; P115-Q120 HydrophobicContact CG-CB 4.5Å
116S69.9Low64.7Low64 Ų64123.3 Ų123.345%0.44862%0.62SS.*PPolyproline II helixtrans-51.5133.1-174.859.90000106.9P114 F118 V119 Q120P114-S116 PolarHBondContact O-N 3.39Å; S116-F118 CarbonylContact O-C 3.42Å; S116-F118 PolarHBondContact O-N 3.39Å; S116-V119 WeakPolarHBondContact O-CA 3.41Å; S116-V119 PolarHBondContact O-N 3.32Å; S116-V119 WeakPolarHBondContact OG-CB 3.42Å; S116-V119 WeakPolarHBondContact OG-CG2 3.31Å; S116-V119 PolarHBondContact OG-N 3.01Å; S116-Q120 PolarHBondContact O-N 2.89Å
117R74.9Confident66.7Low218 Ų218123.4 Ų123.482%0.82361%0.61SS**Hα-helixtrans-51-29.5-174.8-75.4-168.3175.9-169.2-0.4111.7P115 Q121P115-R117 PolarHBondContact O-N 2.75Å; P115-R117 VanDerWaalsContact O-N 3.17Å; R117-Q121 WeakPolarHBondContact O-CB 3.36Å; R117-Q121 PolarHBondContact O-N 3.44Å
118F78.8Confident69.1Low169 Ų169113.7 Ų113.774%0.74159%0.587SS**Hα-helixtrans-62.7-48.4170.3-175.8-97.5000113.9S116 A122S116-F118 CarbonylContact O-C 3.42Å; S116-F118 PolarHBondContact O-N 3.39Å; F118-A122 WeakPolarHBondContact O-CA 3.43Å; F118-A122 WeakPolarHBondContact O-CB 3.39Å; F118-A122 PolarHBondContact O-N 3.33Å
119V81.3Confident71.4Confident75 Ų75109 Ų10946%0.45557%0.571SS.*Hα-helixtrans-67.1-41177.4170.70000111.2S116 A122 E123S116-V119 WeakPolarHBondContact O-CA 3.41Å; S116-V119 PolarHBondContact O-N 3.32Å; S116-V119 WeakPolarHBondContact OG-CB 3.42Å; S116-V119 WeakPolarHBondContact OG-CG2 3.31Å; S116-V119 PolarHBondContact OG-N 3.01Å; V119-A122 PolarHBondContact O-N 2.93Å; V119-E123 VanDerWaalsContact O-CB 3.26Å; V119-E123 WeakPolarHBondContact O-CB 3.12Å; V119-E123 PolarHBondContact O-N 2.88Å
120Q81Confident73.5Confident102 Ų102105.9 Ų105.948%0.47756%0.563SS.*Hα-helixtrans-66.9-42.2177-169.6170.821.700111.7P115 S116 E123 E124P115-Q120 HydrophobicContact CB-CB 4.41Å; P115-Q120 HydrophobicContact CG-CB 4.5Å; S116-Q120 PolarHBondContact O-N 2.89Å; Q120-E123 PolarHBondContact O-N 3.5Å; Q120-E124 VanDerWaalsContact O-CB 3.28Å; Q120-E124 WeakPolarHBondContact O-CB 3.33Å; Q120-E124 PolarHBondContact O-N 3.34Å
121Q82.3Confident75.5Confident137 Ų137107 Ų10764%0.6456%0.561SS**Hα-helixtrans-71.3-32.3175.8-174.1161.4-18.700112.3R117 S125R117-Q121 WeakPolarHBondContact O-CB 3.36Å; R117-Q121 PolarHBondContact O-N 3.44Å; Q121-S125 WeakPolarHBondContact O-CB 3.37Å; Q121-S125 PolarHBondContact O-N 3.45Å; Q121-S125 PolarHBondContact O-OG 2.77Å
122A80.3Confident77.9Confident35 Ų35103.4 Ų103.429%0.28955%0.547SS..Hα-helixtrans-68.1-39.8171.300000111.1F118 V119 S125 S126F118-A122 WeakPolarHBondContact O-CA 3.43Å; F118-A122 WeakPolarHBondContact O-CB 3.39Å; F118-A122 PolarHBondContact O-N 3.33Å; V119-A122 PolarHBondContact O-N 2.93Å; A122-S125 WeakPolarHBondContact CA-OG 3.41Å; A122-S125 PolarHBondContact O-OG 3.32Å; A122-S126 WeakPolarHBondContact O-CB 3.31Å; A122-S126 PolarHBondContact O-N 2.81Å; A122-S126 PolarHBondContact O-OG 3.13Å
123E81.9Confident80Confident101 Ų101102.5 Ų102.547%0.47254%0.541SS..Hα-helixtrans-67.2-45.4175.6-170.6-174.4150.800111V119 Q120 S126 R127V119-E123 VanDerWaalsContact O-CB 3.26Å; V119-E123 WeakPolarHBondContact O-CB 3.12Å; V119-E123 PolarHBondContact O-N 2.88Å; Q120-E123 PolarHBondContact O-N 3.5Å; E123-S126 PolarHBondContact O-N 3.29Å; E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 VanDerWaalsContact O-CG 3.25Å; E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.63Å; E123-R127 IonicContact OE1-NH1 2.68Å; E123-R127 PolarHBondContact OE1-NH1 3.24Å; E123-R127 IonicContact OE1-NH2 3.93Å
124E82.6Confident81.6Confident143 Ų143101.1 Ų101.167%0.66853%0.531SS*.Hα-helixtrans-67.8-39.2178.5-168.1166.9-16100112.2Q120Q120-E124 VanDerWaalsContact O-CB 3.28Å; Q120-E124 WeakPolarHBondContact O-CB 3.33Å; Q120-E124 PolarHBondContact O-N 3.34Å
125S84.4Confident83.1Confident87 Ų8799.2 Ų99.261%0.60852%0.52SS*.Hα-helixtrans-72.6-31.3174.459.70000113.6Q121 A122Q121-S125 WeakPolarHBondContact O-CB 3.37Å; Q121-S125 PolarHBondContact O-N 3.45Å; Q121-S125 PolarHBondContact O-OG 2.77Å; A122-S125 WeakPolarHBondContact CA-OG 3.41Å; A122-S125 PolarHBondContact O-OG 3.32Å
126S84.2Confident84.6Confident44 Ų44100.1 Ų100.131%0.30852%0.519SS..Hα-helixtrans-87.4-18.4-179.7-52.30000113.4A122 E123 G128 A129 F130A122-S126 WeakPolarHBondContact O-CB 3.31Å; A122-S126 PolarHBondContact O-N 2.81Å; A122-S126 PolarHBondContact O-OG 3.13Å; E123-S126 PolarHBondContact O-N 3.29Å; S126-G128 VanDerWaalsContact C-N 3.27Å; S126-G128 PolarHBondContact O-N 3.04Å; S126-A129 WeakPolarHBondContact O-CA 3.49Å; S126-A129 WeakPolarHBondContact O-CB 3.21Å; S126-A129 PolarHBondContact O-N 2.95Å; S126-F130 WeakPolarHBondContact O-CD2 3.13Å; S126-F130 PolarHBondContact O-N 2.99Å
127R81.8Confident85.8Confident142 Ų142101.4 Ų101.454%0.53652%0.524SS..Hα-helixtrans-51.7-43.1177.6-96.9176.8146.4105.210.6113E123 F130 Q131E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 VanDerWaalsContact O-CG 3.25Å; E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.63Å; E123-R127 IonicContact OE1-NH1 2.68Å; E123-R127 PolarHBondContact OE1-NH1 3.24Å; E123-R127 IonicContact OE1-NH2 3.93Å; R127-F130 PolarHBondContact O-N 3.32Å; R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.32Å; R127-Q131 PolarHBondContact O-N 3.5Å
128G87Confident86.8Confident44 Ų4496.6 Ų96.645%0.45451%0.511SS..Hα-helixtrans-66.7-34.717700000113.4S126 S132S126-G128 VanDerWaalsContact C-N 3.27Å; S126-G128 PolarHBondContact O-N 3.04Å; G128-S132 PolarHBondContact O-N 2.88Å; G128-S132 VanDerWaalsContact O-N 3.12Å
129A86.8Confident87.6Confident54 Ų5490.9 Ų90.945%0.44650%0.495SS..Hα-helixtrans-73.1-33.2175.600000112.4S126 S132 I133S126-A129 WeakPolarHBondContact O-CA 3.49Å; S126-A129 WeakPolarHBondContact O-CB 3.21Å; S126-A129 PolarHBondContact O-N 2.95Å; A129-S132 PolarHBondContact O-N 3.48Å; A129-S132 PolarHBondContact O-OG 2.82Å; A129-I133 WeakPolarHBondContact O-CG1 3.37Å; A129-I133 PolarHBondContact O-N 2.86Å
130F86.5Confident88.3Confident135 Ų13594.5 Ų94.559%0.59251%0.505SS*.Hα-helixtrans-71.9-37.3172.7-72.4-63.7000112.3S126 R127 S132 I133 E134S126-F130 WeakPolarHBondContact O-CD2 3.13Å; S126-F130 PolarHBondContact O-N 2.99Å; R127-F130 PolarHBondContact O-N 3.32Å; F130-S132 VanDerWaalsContact C-N 3.27Å; F130-S132 PolarHBondContact O-N 3.45Å; F130-I133 PolarHBondContact O-N 3.14Å; F130-E134 WeakPolarHBondContact O-CB 3.38Å; F130-E134 PolarHBondContact O-N 2.97Å
131Q90.3Very high89Confident124 Ų12491.5 Ų91.558%0.57950%0.498SS*.Hα-helixtrans-61.3-34.9172-75173.3-500112.4R127 S135R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.32Å; R127-Q131 PolarHBondContact O-N 3.5Å; Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 2.88Å; Q131-S135 PolarHBondContact O-OG 3.37Å
132S92.6Very high89.7Confident57 Ų5788.1 Ų88.140%0.39949%0.489SS..Hα-helixtrans-69.7-39.8176.469.50000111.7G128 A129 F130 S135 I136G128-S132 PolarHBondContact O-N 2.88Å; G128-S132 VanDerWaalsContact O-N 3.12Å; A129-S132 PolarHBondContact O-N 3.48Å; A129-S132 PolarHBondContact O-OG 2.82Å; F130-S132 VanDerWaalsContact C-N 3.27Å; F130-S132 PolarHBondContact O-N 3.45Å; S132-S135 WeakPolarHBondContact CA-OG 3.4Å; S132-S135 PolarHBondContact O-N 3.43Å; S132-S135 PolarHBondContact O-OG 3.11Å; S132-I136 WeakPolarHBondContact O-CD1 3.35Å; S132-I136 VanDerWaalsContact O-CG1 3.26Å; S132-I136 WeakPolarHBondContact O-CG1 3.39Å; S132-I136 PolarHBondContact O-N 3.04Å
133I90.7Very high90.4Very high98 Ų9890.1 Ų90.150%0.50350%0.498SS..Hα-helixtrans-65.3-44.6173.7-63.4167.1000110.7A129 F130 S135 I136 V137A129-I133 WeakPolarHBondContact O-CG1 3.37Å; A129-I133 PolarHBondContact O-N 2.86Å; F130-I133 PolarHBondContact O-N 3.14Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.08Å; I133-I136 PolarHBondContact O-N 3.34Å; I133-V137 HydrophobicContact CG2-CG2 4.46Å; I133-V137 WeakPolarHBondContact O-CG2 3.06Å; I133-V137 PolarHBondContact O-N 2.85Å
134E91.1Very high91.1Very high113 Ų11388.7 Ų88.753%0.52850%0.498SS..Hα-helixtrans-62.3-40.5178.3-169.2177.5-17200111.6F130 V137 H138F130-E134 WeakPolarHBondContact O-CB 3.38Å; F130-E134 PolarHBondContact O-N 2.97Å; E134-V137 PolarHBondContact O-N 3.39Å; E134-H138 WeakPolarHBondContact O-CB 3.28Å; E134-H138 PolarHBondContact O-CD2 3.26Å; E134-H138 VanDerWaalsContact O-CD2 3.23Å; E134-H138 PolarHBondContact O-N 3.39Å; E134-H138 IonicContact OE1-NE2 3.28Å
135S94.3Very high91.7Very high66 Ų6688.2 Ų88.246%0.46250%0.498SS..Hα-helixtrans-67.3-36.6176.266.40000112.9Q131 S132 I133 H138 A139Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 2.88Å; Q131-S135 PolarHBondContact O-OG 3.37Å; S132-S135 WeakPolarHBondContact CA-OG 3.4Å; S132-S135 PolarHBondContact O-N 3.43Å; S132-S135 PolarHBondContact O-OG 3.11Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.08Å; S135-H138 PolarHBondContact O-N 3.39Å; S135-A139 VanDerWaalsContact O-CB 3.31Å; S135-A139 WeakPolarHBondContact O-CB 3.32Å; S135-A139 PolarHBondContact O-N 3.44Å
136I94.5Very high92.2Very high94 Ų9489.8 Ų89.848%0.48250%0.497SS..Hα-helixtrans-64.3-46.3172.9-68.4163.9000110.2S132 I133 H138 A139 F140S132-I136 WeakPolarHBondContact O-CD1 3.35Å; S132-I136 VanDerWaalsContact O-CG1 3.26Å; S132-I136 WeakPolarHBondContact O-CG1 3.39Å; S132-I136 PolarHBondContact O-N 3.04Å; I133-I136 PolarHBondContact O-N 3.34Å; I136-H138 VanDerWaalsContact C-N 3.35Å; I136-H138 PolarHBondContact O-N 2.94Å; I136-A139 WeakPolarHBondContact O-CB 3Å; I136-A139 PolarHBondContact O-N 3.05Å; I136-F140 HydrophobicContact CG2-CD2 3.74Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.23Å; I136-F140 WeakPolarHBondContact O-CD2 3.11Å; I136-F140 PolarHBondContact O-N 3.08Å
137V95.5Very high92.8Very high91 Ų9193.6 Ų93.655%0.55251%0.511SS*.Hα-helixtrans-61.9-43.71781730000110.8I133 E134 A139 F140 A141I133-V137 HydrophobicContact CG2-CG2 4.46Å; I133-V137 WeakPolarHBondContact O-CG2 3.06Å; I133-V137 PolarHBondContact O-N 2.85Å; E134-V137 PolarHBondContact O-N 3.39Å; V137-A139 PolarHBondContact O-N 3.42Å; V137-F140 PolarHBondContact O-N 3.13Å; V137-A141 WeakPolarHBondContact O-CB 3.37Å; V137-A141 PolarHBondContact O-N 3.44Å
138H95.6Very high93.5Very high117 Ų11792.1 Ų92.154%0.54251%0.514SS..Hα-helixtrans-64.5-37.2174.3-82.4-57.5000112.9E134 S135 I136 A141 S142E134-H138 WeakPolarHBondContact O-CB 3.28Å; E134-H138 PolarHBondContact O-CD2 3.26Å; E134-H138 VanDerWaalsContact O-CD2 3.23Å; E134-H138 PolarHBondContact O-N 3.39Å; E134-H138 IonicContact OE1-NE2 3.28Å; S135-H138 PolarHBondContact O-N 3.39Å; I136-H138 VanDerWaalsContact C-N 3.35Å; I136-H138 PolarHBondContact O-N 2.94Å; H138-A141 PolarHBondContact O-N 2.97Å; H138-S142 WeakPolarHBondContact O-CB 3.4Å; H138-S142 PolarHBondContact O-N 2.87Å
139A95.9Very high93.9Very high49 Ų4992.9 Ų92.941%0.40552%0.516SS..Hα-helixtrans-61.8-47.4174.700000110.5S135 I136 V137 A141 S142 V143S135-A139 VanDerWaalsContact O-CB 3.31Å; S135-A139 WeakPolarHBondContact O-CB 3.32Å; S135-A139 PolarHBondContact O-N 3.44Å; I136-A139 WeakPolarHBondContact O-CB 3Å; I136-A139 PolarHBondContact O-N 3.05Å; V137-A139 PolarHBondContact O-N 3.42Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.38Å; A139-S142 PolarHBondContact O-N 2.81Å; A139-S142 VanDerWaalsContact O-N 3.17Å; A139-S142 PolarHBondContact O-OG 2.91Å; A139-V143 WeakPolarHBondContact O-CG2 3.23Å; A139-V143 PolarHBondContact O-N 2.98Å
140F96.1Very high94.4Very high152 Ų15293.9 Ų93.967%0.66752%0.517SS*.Hα-helixtrans-62.1-39.9174.7-80.3-69.1000112.8I136 V137 S142 V143 S144I136-F140 HydrophobicContact CG2-CD2 3.74Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.23Å; I136-F140 WeakPolarHBondContact O-CD2 3.11Å; I136-F140 PolarHBondContact O-N 3.08Å; V137-F140 PolarHBondContact O-N 3.13Å; F140-S142 VanDerWaalsContact C-N 3.32Å; F140-S142 PolarHBondContact O-N 2.84Å; F140-V143 PolarHBondContact O-N 3.38Å; F140-S144 PolarHBondContact O-N 3.43Å
141A95.1Very high94.9Very high39 Ų3994.2 Ų94.232%0.32252%0.518SS..Hα-helixtrans-63.1-38.4174.700000112.1V137 H138 A139 S144 M145V137-A141 WeakPolarHBondContact O-CB 3.37Å; V137-A141 PolarHBondContact O-N 3.44Å; H138-A141 PolarHBondContact O-N 2.97Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.38Å; A141-S144 PolarHBondContact O-N 3.39Å; A141-M145 PolarHBondContact O-N 3.29Å
142S96.2Very high95.1Very high65 Ų6590.8 Ų90.846%0.45551%0.508SS..Hα-helixtrans-68.3-38.1175.877.20000112.4H138 A139 F140 S144 M145 M146H138-S142 WeakPolarHBondContact O-CB 3.4Å; H138-S142 PolarHBondContact O-N 2.87Å; A139-S142 PolarHBondContact O-N 2.81Å; A139-S142 VanDerWaalsContact O-N 3.17Å; A139-S142 PolarHBondContact O-OG 2.91Å; F140-S142 VanDerWaalsContact C-N 3.32Å; F140-S142 PolarHBondContact O-N 2.84Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S142-M145 PolarHBondContact O-N 3.26Å; S142-M146 VanDerWaalsContact O-CB 3.32Å; S142-M146 WeakPolarHBondContact O-CB 3.4Å; S142-M146 PolarHBondContact O-N 3.32Å
143V95.9Very high95.3Very high78 Ų7890.4 Ų90.447%0.47351%0.508SS..Hα-helixtrans-65.1-41.3173.7172.90000110A139 F140 M146 M147A139-V143 WeakPolarHBondContact O-CG2 3.23Å; A139-V143 PolarHBondContact O-N 2.98Å; F140-V143 PolarHBondContact O-N 3.38Å; V143-M146 PolarHBondContact O-N 3.15Å; V143-M147 VanDerWaalsContact O-CB 3.31Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 PolarHBondContact O-N 3.28Å
144S96.6Very high95.6Very high70 Ų7090.4 Ų90.449%0.4951%0.513SS..Hα-helixtrans-63.3-43.7175.4-170.60000112F140 A141 S142 M147 D148F140-S144 PolarHBondContact O-N 3.43Å; A141-S144 PolarHBondContact O-N 3.39Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S144-M147 PolarHBondContact O-N 3Å; S144-D148 WeakPolarHBondContact O-CB 3.26Å; S144-D148 PolarHBondContact O-N 3.48Å
145M94.4Very high95.8Very high133 Ų13390.1 Ų90.166%0.65551%0.508SS*.Hα-helixtrans-65.8-39.7176-84.1-173.3-92.200112A141 S142 M147 D148 A149A141-M145 PolarHBondContact O-N 3.29Å; S142-M145 PolarHBondContact O-N 3.26Å; M145-M147 VanDerWaalsContact C-N 3.34Å; M145-D148 PolarHBondContact O-N 3.37Å; M145-A149 WeakPolarHBondContact O-CB 3.5Å; M145-A149 PolarHBondContact O-N 2.88Å
146M94.8Very high95.8Very high120 Ų12091.3 Ų91.359%0.59151%0.509SS*.Hα-helixtrans-64-41.9174.9-173.8-178.172.300110.8S142 V143 A149 T150S142-M146 VanDerWaalsContact O-CB 3.32Å; S142-M146 WeakPolarHBondContact O-CB 3.4Å; S142-M146 PolarHBondContact O-N 3.32Å; V143-M146 PolarHBondContact O-N 3.15Å; M146-A149 CarbonylContact O-C 3.47Å; M146-A149 WeakPolarHBondContact O-CB 3.24Å; M146-A149 PolarHBondContact O-N 3.37Å; M146-T150 WeakPolarHBondContact O-CG2 3.31Å; M146-T150 PolarHBondContact O-N 2.72Å; M146-T150 PolarHBondContact O-OG1 2.74Å
147M97Very high95.9Very high124 Ų12490.3 Ų90.361%0.61151%0.51SS*.Hα-helixtrans-66.9-37.5178.1-167.2177.472.700112.2V143 S144 M145 T150 F151V143-M147 VanDerWaalsContact O-CB 3.31Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 PolarHBondContact O-N 3.28Å; S144-M147 PolarHBondContact O-N 3Å; M145-M147 VanDerWaalsContact C-N 3.34Å; M147-T150 WeakPolarHBondContact CA-OG1 3.15Å; M147-T150 PolarHBondContact O-N 3.4Å; M147-T150 PolarHBondContact O-OG1 2.98Å; M147-F151 WeakPolarHBondContact O-CB 3.37Å; M147-F151 PolarHBondContact O-N 3.49Å
148D96.6Very high95.9Very high112 Ų11291.8 Ų91.860%0.59951%0.509SS*.Hα-helixtrans-65.8-40.9172.5-168.939.9000111.2S144 M145 F151 S152S144-D148 WeakPolarHBondContact O-CB 3.26Å; S144-D148 PolarHBondContact O-N 3.48Å; M145-D148 PolarHBondContact O-N 3.37Å; D148-F151 PolarHBondContact O-N 3.08Å; D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.34Å; D148-S152 PolarHBondContact O-N 2.84Å
149A96.3Very high95.8Very high59 Ų5992.6 Ų92.649%0.48851%0.507SS..Hα-helixtrans-65-40.9174.700000112.6M145 M146 S152 A153M145-A149 WeakPolarHBondContact O-CB 3.5Å; M145-A149 PolarHBondContact O-N 2.88Å; M146-A149 CarbonylContact O-C 3.47Å; M146-A149 WeakPolarHBondContact O-CB 3.24Å; M146-A149 PolarHBondContact O-N 3.37Å; A149-S152 PolarHBondContact O-N 3.4Å; A149-A153 WeakPolarHBondContact O-CB 3.29Å; A149-A153 PolarHBondContact O-N 2.79Å
150T96Very high95.8Very high75 Ų7592.8 Ų92.846%0.4651%0.509SS..Hα-helixtrans-68.4-40.6176.456.60000111.3M146 M147 A153 V154M146-T150 WeakPolarHBondContact O-CG2 3.31Å; M146-T150 PolarHBondContact O-N 2.72Å; M146-T150 PolarHBondContact O-OG1 2.74Å; M147-T150 WeakPolarHBondContact CA-OG1 3.15Å; M147-T150 PolarHBondContact O-N 3.4Å; M147-T150 PolarHBondContact O-OG1 2.98Å; T150-A153 PolarHBondContact O-N 3.49Å; T150-V154 WeakPolarHBondContact O-CB 3.37Å; T150-V154 VanDerWaalsContact O-CG2 3.27Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 2.84Å
151F96.5Very high95.8Very high142 Ų14290.1 Ų90.162%0.62351%0.505SS*.Hα-helixtrans-60.3-49173.8176.3-101.5000111.6M147 D148 A153 V154 Y155M147-F151 WeakPolarHBondContact O-CB 3.37Å; M147-F151 PolarHBondContact O-N 3.49Å; D148-F151 PolarHBondContact O-N 3.08Å; F151-A153 PolarHBondContact O-N 3.2Å; F151-V154 PolarHBondContact O-N 3.47Å; F151-Y155 WeakPolarHBondContact O-CB 3.38Å; F151-Y155 PolarHBondContact O-N 3.04Å
152S95.8Very high95.7Very high52 Ų5292 Ų9236%0.36451%0.509SS..Hα-helixtrans-61.6-42.1176.9-1790000112D148 A149 V154 Y155 N156D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.34Å; D148-S152 PolarHBondContact O-N 2.84Å; A149-S152 PolarHBondContact O-N 3.4Å; S152-V154 PolarHBondContact O-N 3.23Å; S152-Y155 PolarHBondContact O-N 2.77Å; S152-N156 WeakPolarHBondContact O-CB 3.36Å; S152-N156 PolarHBondContact O-N 2.93Å; S152-N156 PolarHBondContact O-ND2 3.47Å; S152-N156 VanDerWaalsContact O-ND2 3.08Å; S152-N156 PolarHBondContact OG-ND2 3.33Å
153A96.9Very high95.5Very high49 Ų4993 Ų9341%0.40551%0.51SS..Hα-helixtrans-62.3-43.3176.400000111.9A149 T150 F151 N156 S157A149-A153 WeakPolarHBondContact O-CB 3.29Å; A149-A153 PolarHBondContact O-N 2.79Å; T150-A153 PolarHBondContact O-N 3.49Å; F151-A153 PolarHBondContact O-N 3.2Å; A153-N156 PolarHBondContact O-N 3.22Å; A153-S157 VanDerWaalsContact O-CB 3.26Å; A153-S157 WeakPolarHBondContact O-CB 3.36Å; A153-S157 PolarHBondContact O-N 2.9Å; A153-S157 PolarHBondContact O-OG 3.39Å
154V96.6Very high95.4Very high99 Ų9994.2 Ų94.260%0.652%0.517SS*.Hα-helixtrans-64.5-44.1175.61710000110.7T150 F151 S152 N156 S157 F158T150-V154 WeakPolarHBondContact O-CB 3.37Å; T150-V154 VanDerWaalsContact O-CG2 3.27Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 2.84Å; F151-V154 PolarHBondContact O-N 3.47Å; S152-V154 PolarHBondContact O-N 3.23Å; V154-N156 PolarHBondContact O-N 3.34Å; V154-S157 PolarHBondContact O-N 3.46Å; V154-F158 WeakPolarHBondContact O-CB 3.18Å; V154-F158 PolarHBondContact O-N 3.22Å
155Y95.9Very high95.2Very high107 Ų10793.5 Ų93.542%0.4252%0.516SS..Hα-helixtrans-60.7-46177.9-172.9-97.5000112.1F151 S152 F158 R159F151-Y155 WeakPolarHBondContact O-CB 3.38Å; F151-Y155 PolarHBondContact O-N 3.04Å; S152-Y155 PolarHBondContact O-N 2.77Å; Y155-F158 PolarHBondContact O-N 3.37Å; Y155-R159 HydrophobicContact CE1-CG 4.27Å; Y155-R159 PolarHBondContact O-N 3.35Å; Y155-R159 PolarHBondContact OH-NE 3.05Å; Y155-R159 PolarHBondContact OH-NH2 3.31Å
156N93.8Very high95Very high91 Ų9191.6 Ų91.649%0.48751%0.508SS..Hα-helixtrans-67.8-38.1177.5-68.3-31000111.8S152 A153 V154 R159 A160S152-N156 WeakPolarHBondContact O-CB 3.36Å; S152-N156 PolarHBondContact O-N 2.93Å; S152-N156 PolarHBondContact O-ND2 3.47Å; S152-N156 VanDerWaalsContact O-ND2 3.08Å; S152-N156 PolarHBondContact OG-ND2 3.33Å; A153-N156 PolarHBondContact O-N 3.22Å; V154-N156 PolarHBondContact O-N 3.34Å; N156-R159 PolarHBondContact O-N 3Å; N156-A160 WeakPolarHBondContact O-CB 3.49Å; N156-A160 PolarHBondContact O-N 3.22Å
157S96.7Very high94.8Very high72 Ų7291.7 Ų91.750%0.50351%0.507SS..Hα-helixtrans-64.5-43.8175.3-600000111.5A153 V154 A160 V161A153-S157 VanDerWaalsContact O-CB 3.26Å; A153-S157 WeakPolarHBondContact O-CB 3.36Å; A153-S157 PolarHBondContact O-N 2.9Å; A153-S157 PolarHBondContact O-OG 3.39Å; V154-S157 PolarHBondContact O-N 3.46Å; S157-A160 PolarHBondContact O-N 3.45Å; S157-V161 WeakPolarHBondContact O-CG2 3.13Å; S157-V161 PolarHBondContact O-N 2.63Å
158F95.8Very high94.5Very high123 Ų12393 Ų9354%0.53951%0.509SS..Hα-helixtrans-62.5-44176.4175.9-108.9000111.7V154 Y155 V161 L162V154-F158 WeakPolarHBondContact O-CB 3.18Å; V154-F158 PolarHBondContact O-N 3.22Å; Y155-F158 PolarHBondContact O-N 3.37Å; F158-V161 PolarHBondContact O-N 3.37Å; F158-L162 HydrophobicContact CD1-CD1 3.98Å; F158-L162 HydrophobicContact CD1-CG 4.45Å; F158-L162 HydrophobicContact CE1-CD1 3.35Å; F158-L162 HydrophobicContact CE1-CG 4Å; F158-L162 HydrophobicContact CE2-CD1 4.45Å; F158-L162 HydrophobicContact CE2-CD2 4.4Å; F158-L162 HydrophobicContact CE2-CG 4.27Å; F158-L162 HydrophobicContact CZ-CD1 3.63Å; F158-L162 HydrophobicContact CZ-CD2 4.08Å; F158-L162 HydrophobicContact CZ-CG 3.9Å; F158-L162 PolarHBondContact O-N 3.22Å
159R92.1Very high94.1Very high133 Ų13391 Ų9150%0.50250%0.504SS..Hα-helixtrans-61.9-42.8174.2-81.2-150.5-177176.83112.6Y155 N156 V161 L162 D163Y155-R159 HydrophobicContact CE1-CG 4.27Å; Y155-R159 PolarHBondContact O-N 3.35Å; Y155-R159 PolarHBondContact OH-NE 3.05Å; Y155-R159 PolarHBondContact OH-NH2 3.31Å; N156-R159 PolarHBondContact O-N 3Å; R159-V161 PolarHBondContact O-N 3.47Å; R159-L162 PolarHBondContact O-N 3.33Å; R159-L162 VanDerWaalsContact O-N 3.14Å; R159-D163 PolarHBondContact O-N 2.89Å
160A96.8Very high93.6Very high53 Ų5396 Ų9644%0.43851%0.511SS..Hα-helixtrans-58.3-39.1175.700000111.5N156 S157 D163 V164N156-A160 WeakPolarHBondContact O-CB 3.49Å; N156-A160 PolarHBondContact O-N 3.22Å; S157-A160 PolarHBondContact O-N 3.45Å; A160-D163 PolarHBondContact O-N 2.78Å; A160-V164 VanDerWaalsContact O-CG2 3.32Å; A160-V164 WeakPolarHBondContact O-CG2 3.5Å; A160-V164 PolarHBondContact O-N 3.4Å
161V95.2Very high93.2Very high97 Ų9796.2 Ų96.259%0.58851%0.508SS*.Hα-helixtrans-66.4-43.4174.9173.60000112S157 F158 R159 D163 V164 A165S157-V161 WeakPolarHBondContact O-CG2 3.13Å; S157-V161 PolarHBondContact O-N 2.63Å; F158-V161 PolarHBondContact O-N 3.37Å; R159-V161 PolarHBondContact O-N 3.47Å; V161-D163 VanDerWaalsContact C-N 3.29Å; V161-D163 PolarHBondContact O-N 2.68Å; V161-V164 WeakPolarHBondContact O-CB 3.4Å; V161-V164 PolarHBondContact O-N 2.88Å; V161-A165 PolarHBondContact O-N 3.41Å
162L93.8Very high92.6Very high77 Ų7796.5 Ų96.540%0.40351%0.509SS..Hα-helixtrans-61.8-38.5174.1-71.2-179.3000111.9F158 R159 A165 N166F158-L162 HydrophobicContact CD1-CD1 3.98Å; F158-L162 HydrophobicContact CD1-CG 4.45Å; F158-L162 HydrophobicContact CE1-CD1 3.35Å; F158-L162 HydrophobicContact CE1-CG 4Å; F158-L162 HydrophobicContact CE2-CD1 4.45Å; F158-L162 HydrophobicContact CE2-CD2 4.4Å; F158-L162 HydrophobicContact CE2-CG 4.27Å; F158-L162 HydrophobicContact CZ-CD1 3.63Å; F158-L162 HydrophobicContact CZ-CD2 4.08Å; F158-L162 HydrophobicContact CZ-CG 3.9Å; F158-L162 PolarHBondContact O-N 3.22Å; R159-L162 PolarHBondContact O-N 3.33Å; R159-L162 VanDerWaalsContact O-N 3.14Å; L162-A165 WeakPolarHBondContact O-CB 3.29Å; L162-A165 PolarHBondContact O-N 3.37Å; L162-N166 PolarHBondContact O-N 3.34Å; L162-N166 PolarHBondContact O-ND2 3.07Å
163D92.4Very high92.1Very high88 Ų8898.1 Ų98.147%0.47151%0.513SS..Hα-helixtrans-65-40.5175.1-75.1-20.5000111.1R159 A160 V161 A165 N166 H167R159-D163 PolarHBondContact O-N 2.89Å; A160-D163 PolarHBondContact O-N 2.78Å; V161-D163 VanDerWaalsContact C-N 3.29Å; V161-D163 PolarHBondContact O-N 2.68Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 3.05Å; D163-N166 WeakPolarHBondContact O-CB 3.38Å; D163-N166 PolarHBondContact O-N 2.87Å; D163-H167 PolarHBondContact O-N 3.22Å; D163-H167 PolarHBondContact O-ND1 3.34Å
164V92.6Very high91.6Very high102 Ų102101 Ų10162%0.61852%0.518SS*.Hα-helixtrans-60.8-41.7171.9171.10000111.2A160 V161 N166 H167 F168A160-V164 VanDerWaalsContact O-CG2 3.32Å; A160-V164 WeakPolarHBondContact O-CG2 3.5Å; A160-V164 PolarHBondContact O-N 3.4Å; V161-V164 WeakPolarHBondContact O-CB 3.4Å; V161-V164 PolarHBondContact O-N 2.88Å; V164-N166 VanDerWaalsContact C-N 3.34Å; V164-N166 PolarHBondContact O-N 3.37Å; V164-H167 PolarHBondContact O-N 3.14Å; V164-F168 PolarHBondContact O-N 3.02Å
165A93Very high91Very high56 Ų56101.5 Ų101.546%0.46351%0.512SS..Hα-helixtrans-62.4-40.6175.700000112V161 L162 D163 H167 F168 S169V161-A165 PolarHBondContact O-N 3.41Å; L162-A165 WeakPolarHBondContact O-CB 3.29Å; L162-A165 PolarHBondContact O-N 3.37Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 3.05Å; A165-H167 VanDerWaalsContact C-N 3.35Å; A165-H167 PolarHBondContact O-N 3.33Å; A165-F168 WeakPolarHBondContact O-CB 3.46Å; A165-F168 PolarHBondContact O-N 2.82Å; A165-S169 PolarHBondContact O-N 3.4Å
166N91.3Very high90.4Very high93 Ų93100.4 Ų100.450%0.49752%0.516SS..Hα-helixtrans-63.3-40174-72.5-36.1000112L162 D163 V164 F168 S169 R170L162-N166 PolarHBondContact O-N 3.34Å; L162-N166 PolarHBondContact O-ND2 3.07Å; D163-N166 WeakPolarHBondContact O-CB 3.38Å; D163-N166 PolarHBondContact O-N 2.87Å; V164-N166 VanDerWaalsContact C-N 3.34Å; V164-N166 PolarHBondContact O-N 3.37Å; N166-F168 VanDerWaalsContact C-N 3.34Å; N166-S169 WeakPolarHBondContact O-CB 3.27Å; N166-S169 PolarHBondContact O-N 3Å; N166-R170 WeakPolarHBondContact O-CG 3.23Å; N166-R170 PolarHBondContact O-N 3.36Å
167H90.4Very high89.9Confident122 Ų122102.2 Ų102.257%0.56552%0.52SS*.Hα-helixtrans-64.4-38.5173.5-75.287.9000112D163 V164 A165 S169 R170 L171D163-H167 PolarHBondContact O-N 3.22Å; D163-H167 PolarHBondContact O-ND1 3.34Å; V164-H167 PolarHBondContact O-N 3.14Å; A165-H167 VanDerWaalsContact C-N 3.35Å; A165-H167 PolarHBondContact O-N 3.33Å; H167-S169 VanDerWaalsContact C-N 3.34Å; H167-R170 PolarHBondContact O-N 3.42Å; H167-L171 VanDerWaalsContact O-CB 3.27Å; H167-L171 WeakPolarHBondContact O-CB 3.49Å; H167-L171 PolarHBondContact O-N 3.43Å
168F89.9Confident89.2Confident151 Ų151103.4 Ų103.466%0.66252%0.524SS*.Hα-helixtrans-65-38.2175.1-166.5-101.4000112.2V164 A165 N166 L171 K172V164-F168 PolarHBondContact O-N 3.02Å; A165-F168 WeakPolarHBondContact O-CB 3.46Å; A165-F168 PolarHBondContact O-N 2.82Å; N166-F168 VanDerWaalsContact C-N 3.34Å; F168-L171 PolarHBondContact O-N 2.72Å; F168-K172 PolarHBondContact O-N 3.46Å
169S87.8Confident88.6Confident71 Ų71104 Ų10450%0.49753%0.527SS..Hα-helixtrans-61.3-47173.4-175.90000111.9A165 N166 H167 L171 K172 I173A165-S169 PolarHBondContact O-N 3.4Å; N166-S169 WeakPolarHBondContact O-CB 3.27Å; N166-S169 PolarHBondContact O-N 3Å; H167-S169 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 2.86Å; S169-K172 WeakPolarHBondContact O-CB 3.46Å; S169-K172 PolarHBondContact O-N 2.9Å; S169-I173 PolarHBondContact O-N 3.44Å
170R85.9Confident87.9Confident164 Ų164100.9 Ų100.962%0.61953%0.525SS*.Hα-helixtrans-63.1-41.6174.7-68.2178-177.4-173.10.6111.9N166 H167 K172 I173 H174N166-R170 WeakPolarHBondContact O-CG 3.23Å; N166-R170 PolarHBondContact O-N 3.36Å; H167-R170 PolarHBondContact O-N 3.42Å; R170-K172 VanDerWaalsContact C-N 3.29Å; R170-K172 PolarHBondContact O-N 3.22Å; R170-I173 WeakPolarHBondContact O-CB 3.45Å; R170-I173 PolarHBondContact O-N 2.93Å; R170-I173 VanDerWaalsContact O-N 3.08Å; R170-H174 PolarHBondContact O-CD2 2.94Å; R170-H174 PolarHBondContact O-N 2.93Å; R170-H174 VanDerWaalsContact O-N 3.11Å
171L87.9Confident87.2Confident78 Ų78100.9 Ų100.941%0.40853%0.525SS..Hα-helixtrans-60.7-38.5178.9-177.562.7000111.8H167 F168 S169 I173 H174 F175H167-L171 VanDerWaalsContact O-CB 3.27Å; H167-L171 WeakPolarHBondContact O-CB 3.49Å; H167-L171 PolarHBondContact O-N 3.43Å; F168-L171 PolarHBondContact O-N 2.72Å; S169-L171 PolarHBondContact O-N 2.86Å; L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 2.83Å; L171-H174 PolarHBondContact O-N 3.23Å; L171-H174 VanDerWaalsContact O-N 3.13Å; L171-F175 HydrophobicContact CD1-CD2 4.04Å; L171-F175 HydrophobicContact CD1-CE2 3.72Å; L171-F175 HydrophobicContact CD1-CZ 4.47Å; L171-F175 HydrophobicContact CD2-CD2 4.44Å; L171-F175 HydrophobicContact CD2-CE2 3.79Å; L171-F175 HydrophobicContact CG-CD2 3.72Å; L171-F175 HydrophobicContact CG-CE2 3.5Å; L171-F175 VanDerWaalsContact CG-CE2 3.5Å; L171-F175 WeakPolarHBondContact O-CD2 3.31Å; L171-F175 PolarHBondContact O-N 3.24Å
172K84.6Confident86.6Confident149 Ų149102.1 Ų102.165%0.64852%0.523SS*.Hα-helixtrans-56.3-44.7172.8179.8-178.8171.7177.60111.7F168 S169 R170 H174 F175 T176F168-K172 PolarHBondContact O-N 3.46Å; S169-K172 WeakPolarHBondContact O-CB 3.46Å; S169-K172 PolarHBondContact O-N 2.9Å; R170-K172 VanDerWaalsContact C-N 3.29Å; R170-K172 PolarHBondContact O-N 3.22Å; K172-H174 VanDerWaalsContact C-N 3.32Å; K172-H174 PolarHBondContact O-N 3.46Å; K172-F175 PolarHBondContact O-N 2.78Å; K172-T176 PolarHBondContact O-N 3.23Å; K172-T176 PolarHBondContact O-OG1 3.21Å; K172-T176 VanDerWaalsContact O-OG1 3.05Å
173I84.6Confident86Confident86 Ų86100.8 Ų100.844%0.44152%0.523SS..Hα-helixtrans-61.6-42.2177.2-61.2167.2000110.5S169 R170 L171 T176 K177S169-I173 PolarHBondContact O-N 3.44Å; R170-I173 WeakPolarHBondContact O-CB 3.45Å; R170-I173 PolarHBondContact O-N 2.93Å; R170-I173 VanDerWaalsContact O-N 3.08Å; L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 2.83Å; I173-T176 PolarHBondContact O-N 2.86Å; I173-K177 HydrophobicContact CG2-CD 4.44Å; I173-K177 WeakPolarHBondContact O-CG 3.27Å; I173-K177 PolarHBondContact O-N 2.88Å
174H86.9Confident85.5Confident109 Ų109100.9 Ų100.951%0.50552%0.523SS..Hα-helixtrans-65.3-41.2176.3-70-72.5000112.5R170 L171 K172 K177 V178R170-H174 PolarHBondContact O-CD2 2.94Å; R170-H174 PolarHBondContact O-N 2.93Å; R170-H174 VanDerWaalsContact O-N 3.11Å; L171-H174 PolarHBondContact O-N 3.23Å; L171-H174 VanDerWaalsContact O-N 3.13Å; K172-H174 VanDerWaalsContact C-N 3.32Å; K172-H174 PolarHBondContact O-N 3.46Å; H174-K177 WeakPolarHBondContact O-CB 3.43Å; H174-K177 PolarHBondContact O-N 3.06Å; H174-V178 WeakPolarHBondContact O-CG2 3.43Å; H174-V178 PolarHBondContact O-N 2.78Å
175F84.3Confident85Confident110 Ų110100.4 Ų100.448%0.48252%0.52SS..Hα-helixtrans-60.7-45.8173.2-85-64.3000111.6L171 K172 K177 V178 F179L171-F175 HydrophobicContact CD1-CD2 4.04Å; L171-F175 HydrophobicContact CD1-CE2 3.72Å; L171-F175 HydrophobicContact CD1-CZ 4.47Å; L171-F175 HydrophobicContact CD2-CD2 4.44Å; L171-F175 HydrophobicContact CD2-CE2 3.79Å; L171-F175 HydrophobicContact CG-CD2 3.72Å; L171-F175 HydrophobicContact CG-CE2 3.5Å; L171-F175 VanDerWaalsContact CG-CE2 3.5Å; L171-F175 WeakPolarHBondContact O-CD2 3.31Å; L171-F175 PolarHBondContact O-N 3.24Å; K172-F175 PolarHBondContact O-N 2.78Å; F175-K177 VanDerWaalsContact C-N 3.26Å; F175-K177 PolarHBondContact O-N 2.94Å; F175-V178 PolarHBondContact O-N 2.78Å; F175-V178 VanDerWaalsContact O-N 3.13Å; F175-F179 HydrophobicContact CB-CD2 4.29Å; F175-F179 HydrophobicContact CB-CE2 4.28Å; F175-F179 AromaticContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD1-CE2 3.97Å; F175-F179 WeakPolarHBondContact O-CD2 3.16Å; F175-F179 PolarHBondContact O-N 3.06Å
176T83.4Confident84.5Confident83 Ų83104.4 Ų104.451%0.50952%0.523SS..Hα-helixtrans-59.6-38.2176.8-53.10000111.7K172 I173 S180K172-T176 PolarHBondContact O-N 3.23Å; K172-T176 PolarHBondContact O-OG1 3.21Å; K172-T176 VanDerWaalsContact O-OG1 3.05Å; I173-T176 PolarHBondContact O-N 2.86Å; T176-S180 WeakPolarHBondContact O-CB 3.25Å; T176-S180 PolarHBondContact O-N 2.93Å
177K82.8Confident83.9Confident129 Ų129103.9 Ų103.956%0.56152%0.523SS*.Hα-helixtrans-64.4-42.2174.5-72.6174.2179.9176.90112.5I173 H174 F175 S180 A181I173-K177 HydrophobicContact CG2-CD 4.44Å; I173-K177 WeakPolarHBondContact O-CG 3.27Å; I173-K177 PolarHBondContact O-N 2.88Å; H174-K177 WeakPolarHBondContact O-CB 3.43Å; H174-K177 PolarHBondContact O-N 3.06Å; F175-K177 VanDerWaalsContact C-N 3.26Å; F175-K177 PolarHBondContact O-N 2.94Å; K177-S180 PolarHBondContact O-N 2.85Å; K177-A181 WeakPolarHBondContact O-CB 3.32Å; K177-A181 PolarHBondContact O-N 2.88Å
178V81.8Confident83.5Confident97 Ų97103 Ų10359%0.58852%0.522SS*.Hα-helixtrans-67.7-45.5178.2174.30000111.4H174 F175 A181 F182H174-V178 WeakPolarHBondContact O-CG2 3.43Å; H174-V178 PolarHBondContact O-N 2.78Å; F175-V178 PolarHBondContact O-N 2.78Å; F175-V178 VanDerWaalsContact O-N 3.13Å; V178-A181 PolarHBondContact O-N 3.04Å; V178-F182 PolarHBondContact O-N 3.31Å
179F82.1Confident83Confident136 Ų136101.7 Ų101.760%0.59651%0.513SS*.Hα-helixtrans-65.7-38.3175.8-75.5-67.5000112F175 F182 A183F175-F179 HydrophobicContact CB-CD2 4.29Å; F175-F179 HydrophobicContact CB-CE2 4.28Å; F175-F179 AromaticContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD1-CE2 3.97Å; F175-F179 WeakPolarHBondContact O-CD2 3.16Å; F175-F179 PolarHBondContact O-N 3.06Å; F179-F182 PolarHBondContact O-N 3.09Å; F179-A183 VanDerWaalsContact O-CB 3.28Å; F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.82Å
180S78.6Confident82.7Confident68 Ų68104.1 Ų104.148%0.47651%0.512SS..Hα-helixtrans-63-44.3173.7-179.30000111.4T176 K177 F182 A183 L184T176-S180 WeakPolarHBondContact O-CB 3.25Å; T176-S180 PolarHBondContact O-N 2.93Å; K177-S180 PolarHBondContact O-N 2.85Å; S180-F182 PolarHBondContact O-N 3.08Å; S180-A183 PolarHBondContact O-N 3.37Å; S180-L184 WeakPolarHBondContact O-CB 3.48Å; S180-L184 PolarHBondContact O-N 3.45Å
181A81.5Confident82.5Confident52 Ų52101.5 Ų101.543%0.4351%0.509SS..Hα-helixtrans-61.2-42.9175.800000112K177 V178 L184 V185K177-A181 WeakPolarHBondContact O-CB 3.32Å; K177-A181 PolarHBondContact O-N 2.88Å; V178-A181 PolarHBondContact O-N 3.04Å; A181-L184 PolarHBondContact O-N 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.36Å; A181-V185 PolarHBondContact O-N 3.47Å
182F82.1Confident82.2Confident123 Ų123104.6 Ų104.654%0.53952%0.516SS..Hα-helixtrans-68.1-40.1177.4-169.2-103.6000112.8V178 F179 S180 L184 V185 R186V178-F182 PolarHBondContact O-N 3.31Å; F179-F182 PolarHBondContact O-N 3.09Å; S180-F182 PolarHBondContact O-N 3.08Å; F182-L184 VanDerWaalsContact C-N 3.34Å; F182-V185 PolarHBondContact O-N 3.15Å; F182-R186 PolarHBondContact O-N 3.2Å
183A81.2Confident82.1Confident49 Ų49102.4 Ų102.441%0.40550%0.504SS..Hα-helixtrans-62.4-43172.800000110.8F179 S180 V185 R186 T187F179-A183 VanDerWaalsContact O-CB 3.28Å; F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.82Å; S180-A183 PolarHBondContact O-N 3.37Å; A183-V185 PolarHBondContact O-N 3.31Å; A183-R186 CarbonylContact O-C 3.54Å; A183-R186 WeakPolarHBondContact O-CA 3.35Å; A183-R186 WeakPolarHBondContact O-CB 3.42Å; A183-R186 PolarHBondContact O-N 3.1Å; A183-R186 VanDerWaalsContact O-N 3.14Å; A183-T187 WeakPolarHBondContact O-CG2 3.43Å; A183-T187 PolarHBondContact O-N 3.33Å; A183-T187 PolarHBondContact O-OG1 3.36Å
184L81.9Confident81.5Confident91 Ų91104.6 Ų104.648%0.47651%0.507SS..Hα-helixtrans-62-42.4177.6-173.1154.2000111.8S180 A181 F182 R186 T187 I188S180-L184 WeakPolarHBondContact O-CB 3.48Å; S180-L184 PolarHBondContact O-N 3.45Å; A181-L184 PolarHBondContact O-N 3.29Å; F182-L184 VanDerWaalsContact C-N 3.34Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.06Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-N 3.46Å; L184-T187 PolarHBondContact O-OG1 2.66Å; L184-I188 HydrophobicContact CD2-CD1 3.43Å; L184-I188 VanDerWaalsContact CD2-CD1 3.43Å; L184-I188 HydrophobicContact CD2-CG1 4.22Å; L184-I188 HydrophobicContact CG-CD1 4.37Å; L184-I188 WeakPolarHBondContact O-CB 3.48Å; L184-I188 WeakPolarHBondContact O-CG1 3.22Å; L184-I188 PolarHBondContact O-N 3.05Å
185V83.3Confident81.2Confident92 Ų92103.9 Ų103.956%0.55851%0.506SS*.Hα-helixtrans-63.8-40.2173.9171.40000111A181 F182 A183 R189A181-V185 WeakPolarHBondContact O-CG2 3.36Å; A181-V185 PolarHBondContact O-N 3.47Å; F182-V185 PolarHBondContact O-N 3.15Å; A183-V185 PolarHBondContact O-N 3.31Å; V185-R189 VanDerWaalsContact O-CB 3.31Å; V185-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 PolarHBondContact O-N 3.29Å
186R81.9Confident80.6Confident139 Ų139101.5 Ų101.553%0.52550%0.497SS..Hα-helixtrans-64.8-41.8175.1-107.5177.8161.685.4-5.8112.1F182 A183 L184 Y190F182-R186 PolarHBondContact O-N 3.2Å; A183-R186 CarbonylContact O-C 3.54Å; A183-R186 WeakPolarHBondContact O-CA 3.35Å; A183-R186 WeakPolarHBondContact O-CB 3.42Å; A183-R186 PolarHBondContact O-N 3.1Å; A183-R186 VanDerWaalsContact O-N 3.14Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.06Å; R186-Y190 VanDerWaalsContact O-CB 3.23Å; R186-Y190 WeakPolarHBondContact O-CB 3.49Å; R186-Y190 PolarHBondContact O-N 2.84Å
187T78Confident80.1Confident82 Ų82105.3 Ų105.350%0.50350%0.502SS..Hα-helixtrans-71.6-39179.5570000111.8A183 L184 Y190 L191A183-T187 WeakPolarHBondContact O-CG2 3.43Å; A183-T187 PolarHBondContact O-N 3.33Å; A183-T187 PolarHBondContact O-OG1 3.36Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-N 3.46Å; L184-T187 PolarHBondContact O-OG1 2.66Å; T187-Y190 PolarHBondContact O-N 3.32Å; T187-L191 WeakPolarHBondContact O-CB 3.48Å; T187-L191 PolarHBondContact O-N 3.18Å
188I82.4Confident79.3Confident103 Ų103106.5 Ų106.553%0.52851%0.511SS..Hα-helixtrans-62.4-47.3172.4-74.9178.3000110.7L184 Y190 L191 Y192L184-I188 HydrophobicContact CD2-CD1 3.43Å; L184-I188 VanDerWaalsContact CD2-CD1 3.43Å; L184-I188 HydrophobicContact CD2-CG1 4.22Å; L184-I188 HydrophobicContact CG-CD1 4.37Å; L184-I188 WeakPolarHBondContact O-CB 3.48Å; L184-I188 WeakPolarHBondContact O-CG1 3.22Å; L184-I188 PolarHBondContact O-N 3.05Å; I188-Y190 VanDerWaalsContact C-N 3.28Å; I188-Y190 PolarHBondContact O-N 3.09Å; I188-L191 PolarHBondContact O-N 3.37Å; I188-Y192 VanDerWaalsContact O-CB 3.31Å; I188-Y192 WeakPolarHBondContact O-CB 3.12Å; I188-Y192 PolarHBondContact O-N 3.08Å
189R80.8Confident78.4Confident125 Ų125107.7 Ų107.747%0.47251%0.513SS..Hα-helixtrans-64-35.7177.4-170.3-172.167.21326.4111.9V185 R193V185-R189 VanDerWaalsContact O-CB 3.31Å; V185-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 PolarHBondContact O-N 3.29Å; R189-R193 WeakPolarHBondContact O-CG 3.37Å; R189-R193 PolarHBondContact O-N 2.69Å; R189-R193 VanDerWaalsContact O-N 3.13Å
190Y80.6Confident77.1Confident122 Ų122103.5 Ų103.548%0.47851%0.509SS..Hα-helixtrans-67.6-46.6174.5175-94.2000111.4R186 T187 I188 Y192 R193 R194R186-Y190 VanDerWaalsContact O-CB 3.23Å; R186-Y190 WeakPolarHBondContact O-CB 3.49Å; R186-Y190 PolarHBondContact O-N 2.84Å; T187-Y190 PolarHBondContact O-N 3.32Å; I188-Y190 VanDerWaalsContact C-N 3.28Å; I188-Y190 PolarHBondContact O-N 3.09Å; Y190-Y192 VanDerWaalsContact C-N 3.33Å; Y190-Y192 PolarHBondContact O-N 3.16Å; Y190-R193 PolarHBondContact O-N 2.89Å; Y190-R194 VanDerWaalsContact O-CB 3.28Å; Y190-R194 WeakPolarHBondContact O-CB 3.18Å; Y190-R194 PolarHBondContact O-N 3.41Å; Y190-R194 PolarHBondContact OH-NH1 3.49Å
191L81.6Confident76.2Confident108 Ų108107.4 Ų107.457%0.56552%0.524SS*.Hα-helixtrans-63-40.6177.6-176.862.6000110.7T187 I188 R194 L195T187-L191 WeakPolarHBondContact O-CB 3.48Å; T187-L191 PolarHBondContact O-N 3.18Å; I188-L191 PolarHBondContact O-N 3.37Å; L191-R194 CarbonylContact O-C 3.57Å; L191-R194 PolarHBondContact O-N 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.2Å; L191-L195 PolarHBondContact O-N 3.48Å
192Y82.5Confident74.7Confident143 Ų143113.6 Ų113.656%0.56154%0.536SS*.Hα-helixtrans-60-47173.6179.8-106.8000111.8I188 Y190 R194 L195 Q196I188-Y192 VanDerWaalsContact O-CB 3.31Å; I188-Y192 WeakPolarHBondContact O-CB 3.12Å; I188-Y192 PolarHBondContact O-N 3.08Å; Y190-Y192 VanDerWaalsContact C-N 3.33Å; Y190-Y192 PolarHBondContact O-N 3.16Å; Y192-R194 PolarHBondContact O-N 3.1Å; Y192-L195 PolarHBondContact O-N 2.86Å; Y192-Q196 VanDerWaalsContact CE1-CD 3.42Å; Y192-Q196 HydrophobicContact CE1-CG 4.27Å; Y192-Q196 HydrophobicContact CE2-CG 4.43Å; Y192-Q196 WeakPolarHBondContact O-CB 3.47Å; Y192-Q196 VanDerWaalsContact O-CG 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.23Å; Y192-Q196 PolarHBondContact O-N 3.31Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å
193R81.3Confident73.1Confident103 Ų103119.3 Ų119.339%0.38955%0.554SS.*Hα-helixtrans-64.9-39.1174.2-71.7179.1-152-140.8-9.5112.6R189 Y190 L195 Q196 R197R189-R193 WeakPolarHBondContact O-CG 3.37Å; R189-R193 PolarHBondContact O-N 2.69Å; R189-R193 VanDerWaalsContact O-N 3.13Å; Y190-R193 PolarHBondContact O-N 2.89Å; R193-L195 VanDerWaalsContact C-N 3.35Å; R193-Q196 PolarHBondContact O-N 2.79Å; R193-R197 WeakPolarHBondContact O-CG 3.32Å; R193-R197 PolarHBondContact O-N 3.28Å
194R72.8Confident71.6Confident133 Ų133120.1 Ų120.150%0.50257%0.566SS.*Hα-helixtrans-64.6-41.8177.1-173.5103.4-178.1-169.33.8110.5Y190 L191 Y192 R197 M198Y190-R194 VanDerWaalsContact O-CB 3.28Å; Y190-R194 WeakPolarHBondContact O-CB 3.18Å; Y190-R194 PolarHBondContact O-N 3.41Å; Y190-R194 PolarHBondContact OH-NH1 3.49Å; L191-R194 CarbonylContact O-C 3.57Å; L191-R194 PolarHBondContact O-N 3.32Å; Y192-R194 PolarHBondContact O-N 3.1Å; R194-R197 PolarHBondContact O-N 3.14Å; R194-M198 WeakPolarHBondContact O-CG 3.48Å; R194-M198 PolarHBondContact O-N 3.31Å
195L79.6Confident69.9Low93 Ų93119.3 Ų119.349%0.48757%0.569SS.*Hα-helixtrans-69.2-40.7177.9-163.769.3000110.7L191 Y192 R193 R197 M198 L199L191-L195 WeakPolarHBondContact O-CB 3.2Å; L191-L195 PolarHBondContact O-N 3.48Å; Y192-L195 PolarHBondContact O-N 2.86Å; R193-L195 VanDerWaalsContact C-N 3.35Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.45Å; L195-M198 PolarHBondContact O-N 3.02Å; L195-L199 HydrophobicContact CD1-CD1 3.97Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CB 3.01Å; L195-L199 PolarHBondContact O-N 2.96Å
196Q72.8Confident68.3Low61 Ų61122.4 Ų122.429%0.28558%0.577SS.*Hα-helixtrans-60.6-34.5171.2-77.3-177.6-32.300113Y192 R193 G200 L201Y192-Q196 VanDerWaalsContact CE1-CD 3.42Å; Y192-Q196 HydrophobicContact CE1-CG 4.27Å; Y192-Q196 HydrophobicContact CE2-CG 4.43Å; Y192-Q196 WeakPolarHBondContact O-CB 3.47Å; Y192-Q196 VanDerWaalsContact O-CG 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.23Å; Y192-Q196 PolarHBondContact O-N 3.31Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å; R193-Q196 PolarHBondContact O-N 2.79Å; Q196-G200 PolarHBondContact O-N 2.86Å; Q196-L201 PolarHBondContact O-N 3.44Å
197R73.5Confident67Low162 Ų162121.3 Ų121.361%0.61158%0.581SS**Hα-helixtrans-73.4-40.7173-70.5177.7-160.8141.5-2.2112.4R193 R194 L195 G200R193-R197 WeakPolarHBondContact O-CG 3.32Å; R193-R197 PolarHBondContact O-N 3.28Å; R194-R197 PolarHBondContact O-N 3.14Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.45Å; R197-G200 PolarHBondContact O-N 3.12Å
198M64.9Low65.9Low155 Ų155125.2 Ų125.276%0.76459%0.594SS**Hα-helixtrans-68.2-39.3178.5-78.7-82.5-73.400112.6R194 L195 G200R194-M198 WeakPolarHBondContact O-CG 3.48Å; R194-M198 PolarHBondContact O-N 3.31Å; L195-M198 PolarHBondContact O-N 3.02Å; M198-G200 PolarHBondContact O-N 3.18Å
199L63.8Low64.8Low121 Ų121125.8 Ų125.863%0.63460%0.598SS**THydrogen-bonded Turntrans-79.13.8174.8-93.771.1000113L195 L201L195-L199 HydrophobicContact CD1-CD1 3.97Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CB 3.01Å; L195-L199 PolarHBondContact O-N 2.96Å; L199-L201 WeakPolarHBondContact O-CD1 3.45Å; L199-L201 PolarHBondContact O-N 3.21Å; L199-L201 VanDerWaalsContact O-N 3.16Å
200G54.3Low63.5Low48 Ų48125.5 Ų125.550%0.49561%0.606SS.*THydrogen-bonded Turntrans70.78.7170.400000116Q196 R197 M198 R202Q196-G200 PolarHBondContact O-N 2.86Å; R197-G200 PolarHBondContact O-N 3.12Å; M198-G200 PolarHBondContact O-N 3.18Å; G200-R202 PolarHBondContact O-N 2.81Å
201L58.5Low62.1Low151 Ų151128.5 Ų128.579%0.79162%0.616SS**  trans-806.7-177.4-100.978.1000114.6Q196 L199Q196-L201 PolarHBondContact O-N 3.44Å; L199-L201 WeakPolarHBondContact O-CD1 3.45Å; L199-L201 PolarHBondContact O-N 3.21Å; L199-L201 VanDerWaalsContact O-N 3.16Å
202R50.4Low60.9Low181 Ų181126.8 Ų126.868%0.68362%0.618SS**  trans-13676.5173.5-160.3171.8-176.7178.8-0.6110.8G200G200-R202 PolarHBondContact O-N 2.81Å
203R48.8Very low59.5Low244 Ų244126.6 Ų126.692%0.92162%0.622SS**  trans-124.689169.7-154.7174.3-172.6121.4-1.1106.1
204G50.6Low58Low65 Ų65124.3 Ų124.367%0.6762%0.621SS**  trans157.877-177.100000112.5
205S45.7Very low57Low75 Ų75126.1 Ų126.152%0.52464%0.636SS.*SBendtrans-169.8-13.8158.6-172.10000111.3N207S205-N207 VanDerWaalsContact C-N 3.28Å; S205-N207 PolarHBondContact O-N 2.8Å
206E50.2Low55.6Low157 Ų157124.5 Ų124.573%0.73464%0.641SS**Hα-helixtrans-80.2-11.8-178.9-61175.917600112.5L210E206-L210 VanDerWaalsContact O-CD1 3.28Å; E206-L210 WeakPolarHBondContact O-CD1 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.05Å
207N53.3Low54.3Low115 Ų115126.7 Ų126.762%0.61566%0.659SS**Hα-helixtrans-89.7-27.4-174.2-57.6-1.4000112.9S205S205-N207 VanDerWaalsContact C-N 3.28Å; S205-N207 PolarHBondContact O-N 2.8Å
208E56Low53Low165 Ų165125.5 Ų125.577%0.77167%0.669SS**Hα-helixtrans-80.9-33.3-178-72.2-108155.100112.2
209D58.1Low52Low114 Ų114121.9 Ų121.961%0.6166%0.664SS**Hα-helixtrans-73.8-27.4-179.1-70.3-22.1000112.8
210L55.2Low50.6Low120 Ų120121.4 Ų121.463%0.62867%0.67SS**Hα-helixtrans-79.6-24179.4-66.8173.1000113.3E206E206-L210 VanDerWaalsContact O-CD1 3.28Å; E206-L210 WeakPolarHBondContact O-CD1 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.05Å
211W50.8Low49.7Very low184 Ų184127.3 Ų127.370%0.69769%0.689SS**Hα-helixtrans-77.2-38.7174.3-72.9114.5000111.6E213 S214 E215W211-E213 VanDerWaalsContact C-N 3.34Å; W211-E213 PolarHBondContact O-N 2.78Å; W211-S214 PolarHBondContact O-N 2.81Å; W211-S214 PolarHBondContact O-OG 3.44Å; W211-S214 VanDerWaalsContact O-OG 3.08Å; W211-E215 PolarHBondContact O-N 2.87Å
212A56.8Low48.3Very low73 Ų73123.6 Ų123.660%0.60369%0.687SS**Hα-helixtrans-66.3-31179.200000113.7
213E52.8Low47.4Very low139 Ų139119.5 Ų119.565%0.6569%0.692SS**Hα-helixtrans-83.3-22.3179.8-168158.4-172.800113.4W211 T217W211-E213 VanDerWaalsContact C-N 3.34Å; W211-E213 PolarHBondContact O-N 2.78Å; E213-T217 PolarHBondContact O-OG1 3.12Å
214S49.5Very low46.8Very low54 Ų54116.7 Ų116.738%0.37869%0.689SS.*Hα-helixtrans-85-22.3180740000114.7W211 G216W211-S214 PolarHBondContact O-N 2.81Å; W211-S214 PolarHBondContact O-OG 3.44Å; W211-S214 VanDerWaalsContact O-OG 3.08Å; S214-G216 VanDerWaalsContact C-N 3.34Å
215E50.8Low46.1Very low172 Ų172120.1 Ų120.180%0.80469%0.692SS**THydrogen-bonded Turntrans-78.1-21173.2-69.1-171.6160.300112.4W211W211-E215 PolarHBondContact O-N 2.87Å
216G50.8Low45.4Very low58 Ų58127.1 Ų127.160%0.59871%0.707SS**THydrogen-bonded Turntrans-92.6-15.8-178.100000116.1S214S214-G216 VanDerWaalsContact C-N 3.34Å
217T45.8Very low44.5Very low107 Ų107124 Ų12466%0.65671%0.708SS**SBendtrans-107.35.2-168.942.70000115.2E213E213-T217 PolarHBondContact O-OG1 3.12Å
218V45.7Very low44.1Very low137 Ų137123.3 Ų123.383%0.8372%0.719SS**SBendtrans-94-10.3174.4-175.90000112.7
219A44.4Very low43.2Very low79 Ų79121.6 Ų121.665%0.65372%0.719SS**SBendtrans-101.9114.3172.900000110.5
220C34.8Very low43Very low112 Ų112122.1 Ų122.176%0.75773%0.732SS**SBendtrans91.6108.6167-71.80000119.4
221L35.1Very low42.7Very low172 Ų172120.9 Ų120.990%0.90174%0.739SS**  trans71.7129.2136.3-50.8167.6000115.5
222G28.4Very low43.4Very low73 Ų73120.5 Ų120.575%0.75374%0.742SS**  cis126.6126.930.300000108.5
223A32.2Very low44.1Very low94 Ų94120.3 Ų120.378%0.77774%0.736SS**  trans71.8102.7160.800000121.2
224E36.6Very low44.9Very low185 Ų185122.6 Ų122.686%0.86474%0.739SS**  52.6135.7122.3-67.9179124.700124.2
225D34.2Very low46.2Very low138 Ų138124.1 Ų124.174%0.73875%0.748SS**  trans90.1104.4139.5-113.919.5000121.1
226R32.2Very low47.6Very low222 Ų222120.5 Ų120.584%0.83873%0.733SS**  165.6124.4102.8-90.1-168.5174.2168.60.1115.8
227A30.8Very low49Very low90 Ų90125.2 Ų125.274%0.74474%0.737SS**  trans52.2121.8132.800000121.4T229A227-T229 PolarHBondContact O-N 3.21Å
228A46.2Very low50.6Low102 Ų102124.3 Ų124.384%0.84373%0.728SS**  trans-43.1124.3166.400000114.6
229T36.5Very low52Low128 Ų128123.7 Ų123.779%0.78571%0.714SS**  trans-124.2110.6148.456.40000108.6A227 A231A227-T229 PolarHBondContact O-N 3.21Å; T229-A231 VanDerWaalsContact C-N 3.27Å; T229-A231 PolarHBondContact O-N 2.82Å
230S53Low53.9Low125 Ų125125.2 Ų125.287%0.87471%0.706SS**  trans-62.288.4169.2179.10000108.7K232S230-K232 PolarHBondContact O-N 2.82Å
231A49Very low55.8Low94 Ų94123 Ų12378%0.77770%0.696SS**  trans-84.2106.117800000109.3T229 S233T229-A231 VanDerWaalsContact C-N 3.27Å; T229-A231 PolarHBondContact O-N 2.82Å; A231-S233 PolarHBondContact O-N 2.83Å
232K65.7Low58.1Low177 Ų177119.3 Ų119.377%0.7768%0.68SS**  trans-33.3124.5173.7-100.7113.6170.2177.30112.6S230 W234 P235S230-K232 PolarHBondContact O-N 2.82Å; K232-W234 HydrophobicContact CB-CB 4.07Å; K232-W234 PolarHBondContact O-N 2.9Å; K232-P235 WeakPolarHBondContact O-CD 3.46Å
233S71.6Confident60.7Low68 Ų68119.8 Ų119.848%0.47667%0.665SS.*SBendtrans-63.819.1164.452.30000114.2A231 P235 I236 F237A231-S233 PolarHBondContact O-N 2.83Å; S233-P235 VanDerWaalsContact C-CD 3.44Å; S233-P235 VanDerWaalsContact C-N 3.32Å; S233-I236 WeakPolarHBondContact O-CA 3.43Å; S233-I236 WeakPolarHBondContact O-CB 3.34Å; S233-I236 PolarHBondContact O-N 2.93Å; S233-F237 PolarHBondContact O-N 3.2Å; S233-F237 VanDerWaalsContact O-N 3.08Å
234W69.5Low62.9Low188 Ų188121.2 Ų121.271%0.71266%0.659SS**Hα-helixtrans-55.9-38.8175.7-171.984.5000112.8K232 I236 F237 L238K232-W234 HydrophobicContact CB-CB 4.07Å; K232-W234 PolarHBondContact O-N 2.9Å; W234-I236 VanDerWaalsContact C-N 3.27Å; W234-I236 PolarHBondContact O-N 2.72Å; W234-F237 PolarHBondContact O-N 3.04Å; W234-L238 HydrophobicContact CH2-CD1 3.91Å; W234-L238 HydrophobicContact CZ2-CD1 4.36Å; W234-L238 HydrophobicContact CZ3-CD1 4.04Å; W234-L238 PolarHBondContact O-N 2.99Å; W234-L238 VanDerWaalsContact O-N 3.15Å
235P77.4Confident64.7Low85 Ų85113.8 Ų113.855%0.55263%0.632SS**Hα-helixtrans-64.7-29.1172.8-2234.9000113.7K232 S233 F239K232-P235 WeakPolarHBondContact O-CD 3.46Å; S233-P235 VanDerWaalsContact C-CD 3.44Å; S233-P235 VanDerWaalsContact C-N 3.32Å; P235-F239 PolarHBondContact O-N 2.83Å; P235-F239 VanDerWaalsContact O-N 3.14Å
236I80.3Confident66.9Low96 Ų96108.4 Ų108.449%0.49261%0.609SS.*Hα-helixtrans-78.1-40.7-178.5-63.2161.8000110.5S233 W234 L238 F239 F240S233-I236 WeakPolarHBondContact O-CA 3.43Å; S233-I236 WeakPolarHBondContact O-CB 3.34Å; S233-I236 PolarHBondContact O-N 2.93Å; W234-I236 VanDerWaalsContact C-N 3.27Å; W234-I236 PolarHBondContact O-N 2.72Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.88Å; I236-F239 WeakPolarHBondContact O-CB 3.26Å; I236-F239 PolarHBondContact O-N 2.96Å; I236-F240 HydrophobicContact CG2-CD2 3.89Å; I236-F240 HydrophobicContact CG2-CE2 3.75Å; I236-F240 VanDerWaalsContact O-CD2 3.26Å; I236-F240 WeakPolarHBondContact O-CD2 3.46Å; I236-F240 PolarHBondContact O-N 3.29Å
237F79.7Confident69.2Low157 Ų157101.8 Ų101.869%0.68960%0.595SS**Hα-helixtrans-64.3-38.5173.7-105.2-84.4000112.3S233 W234 F239 F240 A241S233-F237 PolarHBondContact O-N 3.2Å; S233-F237 VanDerWaalsContact O-N 3.08Å; W234-F237 PolarHBondContact O-N 3.04Å; F237-F239 VanDerWaalsContact C-N 3.32Å; F237-F239 PolarHBondContact O-N 3.46Å; F237-F240 PolarHBondContact O-N 3.42Å; F237-A241 WeakPolarHBondContact O-CB 3.37Å; F237-A241 PolarHBondContact O-N 2.95Å
238L78.8Confident71.5Confident88 Ų88103.7 Ų103.746%0.46158%0.584SS.*Hα-helixtrans-61.8-42174.1-159.9161.3000110.8W234 I236 A241 V242W234-L238 HydrophobicContact CH2-CD1 3.91Å; W234-L238 HydrophobicContact CZ2-CD1 4.36Å; W234-L238 HydrophobicContact CZ3-CD1 4.04Å; W234-L238 PolarHBondContact O-N 2.99Å; W234-L238 VanDerWaalsContact O-N 3.15Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.88Å; L238-A241 PolarHBondContact O-N 3.24Å; L238-V242 HydrophobicContact CD2-CG2 3.98Å; L238-V242 WeakPolarHBondContact O-CG2 3.14Å; L238-V242 PolarHBondContact O-N 3.28Å
239F76.1Confident72.7Confident125 Ų125103.9 Ų103.955%0.54857%0.57SS.*Hα-helixtrans-60.4-45.1175180-103.5000112.6P235 I236 F237 V242 I243P235-F239 PolarHBondContact O-N 2.83Å; P235-F239 VanDerWaalsContact O-N 3.14Å; I236-F239 WeakPolarHBondContact O-CB 3.26Å; I236-F239 PolarHBondContact O-N 2.96Å; F237-F239 VanDerWaalsContact C-N 3.32Å; F237-F239 PolarHBondContact O-N 3.46Å; F239-V242 PolarHBondContact O-N 3.16Å; F239-I243 HydrophobicContact CD1-CD1 3.5Å; F239-I243 VanDerWaalsContact CD1-CD1 3.5Å; F239-I243 HydrophobicContact CD2-CD1 3.85Å; F239-I243 HydrophobicContact CE1-CD1 3.14Å; F239-I243 HydrophobicContact CE2-CD1 3.53Å; F239-I243 HydrophobicContact CG-CD1 3.85Å; F239-I243 HydrophobicContact CZ-CD1 3.18Å; F239-I243 WeakPolarHBondContact O-CB 3.35Å; F239-I243 VanDerWaalsContact O-CG1 3.23Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 3.27Å
240F83.2Confident74.5Confident111 Ų111102.7 Ų102.749%0.48756%0.558SS.*Hα-helixtrans-69.8-37.2176.6-79.3-71.7000113.2I236 F237 V242 I243 L244I236-F240 HydrophobicContact CG2-CD2 3.89Å; I236-F240 HydrophobicContact CG2-CE2 3.75Å; I236-F240 VanDerWaalsContact O-CD2 3.26Å; I236-F240 WeakPolarHBondContact O-CD2 3.46Å; I236-F240 PolarHBondContact O-N 3.29Å; F237-F240 PolarHBondContact O-N 3.42Å; F240-V242 VanDerWaalsContact C-N 3.31Å; F240-V242 PolarHBondContact O-N 3.07Å; F240-I243 PolarHBondContact O-N 2.91Å; F240-L244 HydrophobicContact CD1-CD1 4.16Å; F240-L244 WeakPolarHBondContact O-CD1 3.39Å; F240-L244 PolarHBondContact O-N 3.22Å
241A76.6Confident75.7Confident65 Ų65104.6 Ų104.654%0.53755%0.546SS..Hα-helixtrans-61.8-38.817500000111.8F237 L238 G245F237-A241 WeakPolarHBondContact O-CB 3.37Å; F237-A241 PolarHBondContact O-N 2.95Å; L238-A241 PolarHBondContact O-N 3.24Å; A241-G245 WeakPolarHBondContact O-CA 3.5Å; A241-G245 PolarHBondContact O-N 3Å
242V82.3Confident76.6Confident94 Ų94105.8 Ų105.857%0.5753%0.534SS*.Hα-helixtrans-74.4-35.6176.31740000111.8L238 F239 F240 G246L238-V242 HydrophobicContact CD2-CG2 3.98Å; L238-V242 WeakPolarHBondContact O-CG2 3.14Å; L238-V242 PolarHBondContact O-N 3.28Å; F239-V242 PolarHBondContact O-N 3.16Å; F240-V242 VanDerWaalsContact C-N 3.31Å; F240-V242 PolarHBondContact O-N 3.07Å; V242-G246 WeakPolarHBondContact O-CA 3.33Å; V242-G246 PolarHBondContact O-N 2.8Å
243I82.3Confident76.9Confident83 Ų83103 Ų10343%0.42653%0.526SS..Hα-helixtrans-74.5-38.4-179.1-75.3171.3000113.1F239 F240 P247F239-I243 HydrophobicContact CD1-CD1 3.5Å; F239-I243 VanDerWaalsContact CD1-CD1 3.5Å; F239-I243 HydrophobicContact CD2-CD1 3.85Å; F239-I243 HydrophobicContact CE1-CD1 3.14Å; F239-I243 HydrophobicContact CE2-CD1 3.53Å; F239-I243 HydrophobicContact CG-CD1 3.85Å; F239-I243 HydrophobicContact CZ-CD1 3.18Å; F239-I243 WeakPolarHBondContact O-CB 3.35Å; F239-I243 VanDerWaalsContact O-CG1 3.23Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 3.27Å; F240-I243 PolarHBondContact O-N 2.91Å; I243-P247 WeakPolarHBondContact O-CD 3.33Å; I243-P247 WeakPolarHBondContact O-CG 3.34Å
244L79.1Confident76.7Confident124 Ų124105.2 Ų105.265%0.64953%0.532SS*.Hα-helixtrans-85.7-37.6175.3-82.677.9000111.3F240F240-L244 HydrophobicContact CD1-CD1 4.16Å; F240-L244 WeakPolarHBondContact O-CD1 3.39Å; F240-L244 PolarHBondContact O-N 3.22Å
245G75.3Confident76.4Confident30 Ų3098.4 Ų98.431%0.30951%0.514SS..Hα-helixtrans-72.2-39.1-179.800000112.9A241 Y248 L249A241-G245 WeakPolarHBondContact O-CA 3.5Å; A241-G245 PolarHBondContact O-N 3Å; G245-Y248 PolarHBondContact O-N 3.47Å; G245-L249 VanDerWaalsContact O-CB 3.32Å; G245-L249 WeakPolarHBondContact O-CB 3.49Å; G245-L249 PolarHBondContact O-N 3.46Å
246G79.1Confident75.4Confident25 Ų2599.3 Ų99.326%0.25852%0.518SS..Hα-helixtrans-56-55.1-177.700000113.8V242 Y248 L249 I250V242-G246 WeakPolarHBondContact O-CA 3.33Å; V242-G246 PolarHBondContact O-N 2.8Å; G246-Y248 VanDerWaalsContact C-N 3.33Å; G246-Y248 PolarHBondContact O-N 2.82Å; G246-L249 PolarHBondContact O-N 3.49Å; G246-I250 WeakPolarHBondContact O-CB 3.43Å; G246-I250 VanDerWaalsContact O-CD1 3.31Å; G246-I250 WeakPolarHBondContact O-CD1 3.22Å; G246-I250 WeakPolarHBondContact O-CG1 3.36Å; G246-I250 PolarHBondContact O-N 3.37Å
247P80.5Confident74.2Confident83 Ų83101 Ų10154%0.53952%0.523SS..Hα-helixtrans-61.3-38.8178.3-24.434.8000113.3I243 W251I243-P247 WeakPolarHBondContact O-CD 3.33Å; I243-P247 WeakPolarHBondContact O-CG 3.34Å; P247-W251 WeakPolarHBondContact O-CB 3.09Å; P247-W251 PolarHBondContact O-N 3.49Å
248Y80.1Confident72.9Confident130 Ų13097 Ų9751%0.5151%0.514SS..Hα-helixtrans-71.7-40179.3-174.8-98000112.2G245 G246 W251 K252G245-Y248 PolarHBondContact O-N 3.47Å; G246-Y248 VanDerWaalsContact C-N 3.33Å; G246-Y248 PolarHBondContact O-N 2.82Å; Y248-W251 HydrophobicContact CD2-CE3 4.27Å; Y248-W251 HydrophobicContact CE2-CE3 4.17Å; Y248-W251 HydrophobicContact CE2-CZ3 4.1Å; Y248-W251 PolarHBondContact O-N 2.89Å; Y248-K252 HydrophobicContact CE1-CD 4.17Å; Y248-K252 VanDerWaalsContact O-CB 3.25Å; Y248-K252 WeakPolarHBondContact O-CB 3.47Å; Y248-K252 PolarHBondContact O-N 3.3Å
249L71.8Confident71.7Confident106 Ų10697.6 Ų97.656%0.55552%0.518SS*.Hα-helixtrans-67.5-38.7176.9-133.277.1000111.4G245 G246 K252 L253G245-L249 VanDerWaalsContact O-CB 3.32Å; G245-L249 WeakPolarHBondContact O-CB 3.49Å; G245-L249 PolarHBondContact O-N 3.46Å; G246-L249 PolarHBondContact O-N 3.49Å; L249-K252 PolarHBondContact O-N 2.91Å; L249-L253 HydrophobicContact CG-CD1 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.36Å; L249-L253 WeakPolarHBondContact O-CD1 3.3Å; L249-L253 PolarHBondContact O-N 2.83Å
250I73.8Confident70.5Confident102 Ų10297.9 Ų97.952%0.52352%0.521SS..Hα-helixtrans-65.8-45.7175.3-68.4163.5000110.3G246 K252 L253 L254G246-I250 WeakPolarHBondContact O-CB 3.43Å; G246-I250 VanDerWaalsContact O-CD1 3.31Å; G246-I250 WeakPolarHBondContact O-CD1 3.22Å; G246-I250 WeakPolarHBondContact O-CG1 3.36Å; G246-I250 PolarHBondContact O-N 3.37Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 2.86Å; I250-L253 PolarHBondContact O-N 3.3Å; I250-L254 HydrophobicContact CG2-CD1 3.5Å; I250-L254 HydrophobicContact CG2-CG 4.19Å; I250-L254 VanDerWaalsContact O-CB 3.29Å; I250-L254 WeakPolarHBondContact O-CB 3.5Å; I250-L254 VanDerWaalsContact O-CG 3.24Å; I250-L254 WeakPolarHBondContact O-CG 3.19Å; I250-L254 PolarHBondContact O-N 3Å
251W77.3Confident69Low165 Ų16597.6 Ų97.663%0.62553%0.529SS*.Hα-helixtrans-62.4-38.6175.5-179.867.5000111.9P247 Y248 S255P247-W251 WeakPolarHBondContact O-CB 3.09Å; P247-W251 PolarHBondContact O-N 3.49Å; Y248-W251 HydrophobicContact CD2-CE3 4.27Å; Y248-W251 HydrophobicContact CE2-CE3 4.17Å; Y248-W251 HydrophobicContact CE2-CZ3 4.1Å; Y248-W251 PolarHBondContact O-N 2.89Å; W251-S255 VanDerWaalsContact O-CB 3.27Å; W251-S255 WeakPolarHBondContact O-CB 3.43Å; W251-S255 PolarHBondContact O-N 3.04Å; W251-S255 PolarHBondContact O-OG 3.15Å
252K68.8Low67.8Low120 Ų12098.4 Ų98.452%0.52253%0.527SS..Hα-helixtrans-69.6-37.5177.4-169.4161.7-177.8167.50113.2Y248 L249 I250 T256Y248-K252 HydrophobicContact CE1-CD 4.17Å; Y248-K252 VanDerWaalsContact O-CB 3.25Å; Y248-K252 WeakPolarHBondContact O-CB 3.47Å; Y248-K252 PolarHBondContact O-N 3.3Å; L249-K252 PolarHBondContact O-N 2.91Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 2.86Å; K252-T256 WeakPolarHBondContact O-CG2 3.43Å; K252-T256 PolarHBondContact O-OG1 3.45Å
253L71.7Confident66.5Low118 Ų11898.1 Ų98.162%0.61852%0.522SS*.Hα-helixtrans-77.5-33.3176.3-100.6104.3000113.7L249 I250 T256L249-L253 HydrophobicContact CG-CD1 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.36Å; L249-L253 WeakPolarHBondContact O-CD1 3.3Å; L249-L253 PolarHBondContact O-N 2.83Å; I250-L253 PolarHBondContact O-N 3.3Å; L253-T256 VanDerWaalsContact C-OG1 3.31Å; L253-T256 WeakPolarHBondContact CA-OG1 3.27Å; L253-T256 PolarHBondContact O-OG1 3.28Å
254L67.1Low65.3Low114 Ų11496.7 Ų96.760%0.59752%0.52SS*.Hα-helixtrans-76.7-37.5179.6-71.5173.4000111.6I250 T256 H257 S258I250-L254 HydrophobicContact CG2-CD1 3.5Å; I250-L254 HydrophobicContact CG2-CG 4.19Å; I250-L254 VanDerWaalsContact O-CB 3.29Å; I250-L254 WeakPolarHBondContact O-CB 3.5Å; I250-L254 VanDerWaalsContact O-CG 3.24Å; I250-L254 WeakPolarHBondContact O-CG 3.19Å; I250-L254 PolarHBondContact O-N 3Å; L254-T256 PolarHBondContact O-N 2.72Å; L254-H257 PolarHBondContact O-N 3.39Å; L254-S258 PolarHBondContact O-N 3.18Å; L254-S258 PolarHBondContact O-OG 3.19Å
255S63.7Low64.7Low46 Ų4694.6 Ų94.632%0.32251%0.508SS..Hα-helixtrans-67.6-25177.9-53.50000112.2W251 H257 S258W251-S255 VanDerWaalsContact O-CB 3.27Å; W251-S255 WeakPolarHBondContact O-CB 3.43Å; W251-S255 PolarHBondContact O-N 3.04Å; W251-S255 PolarHBondContact O-OG 3.15Å; S255-H257 VanDerWaalsContact C-N 3.27Å; S255-H257 PolarHBondContact O-N 2.84Å; S255-S258 PolarHBondContact O-OG 3Å
256T56.5Low64.7Low104 Ų10494.2 Ų94.264%0.63850%0.499SS*.Hα-helixtrans-74.5-9.517642.40000114.7K252 L253 L254K252-T256 WeakPolarHBondContact O-CG2 3.43Å; K252-T256 PolarHBondContact O-OG1 3.45Å; L253-T256 VanDerWaalsContact C-OG1 3.31Å; L253-T256 WeakPolarHBondContact CA-OG1 3.27Å; L253-T256 PolarHBondContact O-OG1 3.28Å; L254-T256 PolarHBondContact O-N 2.72Å
257H54.3Low64.9Low131 Ų13193.8 Ų93.861%0.60649%0.49SS*.Hα-helixtrans-120.4-11.4-175.5-140.230000114.4L254 S255 E260L254-H257 PolarHBondContact O-N 3.39Å; S255-H257 VanDerWaalsContact C-N 3.27Å; S255-H257 PolarHBondContact O-N 2.84Å; H257-E260 IonicContact CE1-OE2 3.74Å; H257-E260 PolarHBondContact CE1-OE2 3.29Å; H257-E260 IonicContact ND1-OE2 3.82Å; H257-E260 PolarHBondContact ND1-OE2 2.68Å
258S53.8Low65.1Low72 Ų7289.9 Ų89.950%0.50346%0.464SS..Hα-helixtrans-76.9-21175.642.20000114L254 S255L254-S258 PolarHBondContact O-N 3.18Å; L254-S258 PolarHBondContact O-OG 3.19Å; S255-S258 PolarHBondContact O-OG 3Å
259D52.8Low65.1Low101 Ų10186.5 Ų86.554%0.5446%0.46SS..Hα-helixtrans-76.8-26.8-178.3-73.4-15.5000113V261 T262 D263D259-V261 PolarHBondContact O-N 2.92Å; D259-T262 PolarHBondContact O-N 3.19Å; D259-T262 PolarHBondContact O-OG1 3.31Å; D259-D263 WeakPolarHBondContact O-CB 3.49Å; D259-D263 VanDerWaalsContact O-CG 3.22Å; D259-D263 PolarHBondContact O-N 2.86Å; D259-D263 VanDerWaalsContact O-N 3.09Å
260E51.6Low65.4Low131 Ų13182.1 Ų82.161%0.61244%0.44SS*.Hα-helixtrans-67.8-32-171.3-165.4177.2173.400113.9H257H257-E260 IonicContact CE1-OE2 3.74Å; H257-E260 PolarHBondContact CE1-OE2 3.29Å; H257-E260 IonicContact ND1-OE2 3.82Å; H257-E260 PolarHBondContact ND1-OE2 2.68Å
261V51.8Low65.7Low106 Ų10680.8 Ų80.864%0.64243%0.431SS*.Hα-helixtrans-81-36.4-177.5179.40000111.6D259 S264D259-V261 PolarHBondContact O-N 2.92Å; V261-S264 PolarHBondContact O-OG 2.85Å
262T51.3Low65.9Low81 Ų8174.9 Ų74.950%0.49741%0.412SS..Hα-helixtrans-75.9-31.3177.637.50000112.8D259 S264 I265 N266D259-T262 PolarHBondContact O-N 3.19Å; D259-T262 PolarHBondContact O-OG1 3.31Å; T262-S264 PolarHBondContact O-N 2.97Å; T262-I265 PolarHBondContact O-N 2.79Å; T262-N266 PolarHBondContact O-ND2 3.33Å; T262-N266 PolarHBondContact O-OD1 2.81Å; T262-N266 VanDerWaalsContact O-OD1 3.08Å
263D53.2Low66.6Low88 Ų8872.2 Ų72.247%0.47140%0.404SS..Hα-helixtrans-66-26.2176-73.8-14.2000113D259 I265 N266D259-D263 WeakPolarHBondContact O-CB 3.49Å; D259-D263 VanDerWaalsContact O-CG 3.22Å; D259-D263 PolarHBondContact O-N 2.86Å; D259-D263 VanDerWaalsContact O-N 3.09Å; D263-I265 VanDerWaalsContact C-N 3.3Å; D263-I265 PolarHBondContact O-N 3.23Å; D263-N266 PolarHBondContact OD1-ND2 2.82Å
264S58.1Low67.4Low54 Ų5467.3 Ų67.338%0.37838%0.378SS..THydrogen-bonded Turntrans-71.5-16.2-17872.90000115.3V261 T262 W267V261-S264 PolarHBondContact O-OG 2.85Å; T262-S264 PolarHBondContact O-N 2.97Å; S264-W267 PolarHBondContact O-NE1 3.35Å
265I66.8Low68.5Low79 Ų7962.8 Ų62.841%0.40536%0.355SS..THydrogen-bonded Turntrans-117.4-9.9-175.9-55.7174.2000112.6T262 D263 W267 A268 T323T262-I265 PolarHBondContact O-N 2.79Å; D263-I265 VanDerWaalsContact C-N 3.3Å; D263-I265 PolarHBondContact O-N 3.23Å; I265-W267 PolarHBondContact O-N 3.02Å; I265-A268 HydrophobicContact CG2-CB 4.07Å; I265-A268 VanDerWaalsContact O-CB 3.23Å; I265-A268 WeakPolarHBondContact O-CB 3.06Å; I265-A268 PolarHBondContact O-N 3.41Å; I265-T323 HydrophobicContact CG2-CG2 4.38Å
266N76Confident69.9Low23 Ų2360.8 Ų60.812%0.12334%0.341CS..THydrogen-bonded Turntrans-59.6-21.1-179.9-72.7-20.2000114.1T262 D263 A268 S269 G270 E271 D272 K341T262-N266 PolarHBondContact O-ND2 3.33Å; T262-N266 PolarHBondContact O-OD1 2.81Å; T262-N266 VanDerWaalsContact O-OD1 3.08Å; D263-N266 PolarHBondContact OD1-ND2 2.82Å; N266-A268 VanDerWaalsContact C-N 3.31Å; N266-S269 PolarHBondContact O-OG 3Å; N266-S269 VanDerWaalsContact O-OG 3.05Å; N266-G270 PolarHBondContact O-N 3.24Å; N266-E271 HydrophobicContact CB-CB 4.38Å; N266-E271 PolarHBondContact O-N 3.15Å; N266-D272 HydrophobicContact CB-CB 4.14Å; N266-D272 VanDerWaalsContact CB-CG 3.43Å; N266-D272 WeakPolarHBondContact CB-OD2 3.4Å; N266-D272 PolarHBondContact O-N 3.04Å; N266-D272 VanDerWaalsContact O-N 3.15Å; N266-K341 PolarHBondContact ND2-NZ 3.33Å
267W82.6Confident71.5Confident16 Ų1655.9 Ų55.96%0.06131%0.31CS..THydrogen-bonded Turntrans-70.3-27.2172.864.7-94.6000112.6S264 I265 G270 D272 H274 N300 A302 L315 T323S264-W267 PolarHBondContact O-NE1 3.35Å; I265-W267 PolarHBondContact O-N 3.02Å; W267-G270 PolarHBondContact O-N 2.74Å; W267-D272 HydrophobicContact CB-CB 4.3Å; W267-H274 HydrophobicContact CB-CB 4.32Å; W267-H274 WeakPolarHBondContact O-CB 3.26Å; W267-N300 WeakPolarHBondContact CZ3-O 3.35Å; W267-A302 HydrophobicContact CD2-CB 3.84Å; W267-A302 HydrophobicContact CE3-CB 4Å; W267-A302 HydrophobicContact CH2-CB 3.92Å; W267-A302 HydrophobicContact CZ2-CB 3.73Å; W267-A302 HydrophobicContact CZ3-CB 4.04Å; W267-L315 HydrophobicContact CH2-CD2 4.2Å; W267-L315 HydrophobicContact CH2-CG 3.84Å; W267-L315 HydrophobicContact CZ2-CD2 3.68Å; W267-L315 HydrophobicContact CZ2-CG 3.86Å; W267-T323 HydrophobicContact CH2-CG2 3.84Å; W267-T323 HydrophobicContact CZ2-CG2 3.83Å
268A83.8Confident73.4Confident0 Ų056.1 Ų56.10%031%0.306CS..THydrogen-bonded Turntrans-68.1-43.1-179.400000110.9I265 N266 G270 N300 G320 T323I265-A268 HydrophobicContact CG2-CB 4.07Å; I265-A268 VanDerWaalsContact O-CB 3.23Å; I265-A268 WeakPolarHBondContact O-CB 3.06Å; I265-A268 PolarHBondContact O-N 3.41Å; N266-A268 VanDerWaalsContact C-N 3.31Å; A268-G270 PolarHBondContact O-N 3.28Å; A268-N300 PolarHBondContact O-ND2 3.37Å; A268-G320 CarbonylContact C-O 3.56Å; A268-G320 WeakPolarHBondContact O-CA 3.43Å; A268-T323 HydrophobicContact CB-CG2 3.83Å
269S81Confident75.3Confident60 Ų6052.9 Ų52.942%0.4228%0.283SS..THydrogen-bonded Turntrans-75.1-9.517660.50000113.6N266 E271 G320N266-S269 PolarHBondContact O-OG 3Å; N266-S269 VanDerWaalsContact O-OG 3.05Å; S269-E271 VanDerWaalsContact C-N 3.33Å; S269-E271 WeakPolarHBondContact OG-CG 3.47Å; S269-G320 PolarHBondContact N-O 3.25Å
270G77.7Confident77.1Confident13 Ų1351.2 Ų51.213%0.13427%0.272CS..THydrogen-bonded Turntrans79.812.5-177.200000114.4N266 W267 A268 H274 R340N266-G270 PolarHBondContact O-N 3.24Å; W267-G270 PolarHBondContact O-N 2.74Å; A268-G270 PolarHBondContact O-N 3.28Å; G270-H274 VanDerWaalsContact CA-CE1 3.48Å; G270-H274 WeakPolarHBondContact CA-CE1 3.4Å; G270-R340 PolarHBondContact O-N 3.44Å
271E80.6Confident78.9Confident74 Ų7446.2 Ų46.235%0.34625%0.248SC..SBendtrans-70.8-36173.9-71.6-175.1171.300111.9N266 S269 G339 R340 K341N266-E271 HydrophobicContact CB-CB 4.38Å; N266-E271 PolarHBondContact O-N 3.15Å; S269-E271 VanDerWaalsContact C-N 3.33Å; S269-E271 WeakPolarHBondContact OG-CG 3.47Å; E271-G339 CarbonylContact O-C 3.59Å; E271-G339 WeakPolarHBondContact O-CA 3.17Å; E271-R340 PolarHBondContact O-N 3.23Å; E271-K341 HydrophobicContact CB-CD 3.96Å; E271-K341 HydrophobicContact CB-CG 4.1Å; E271-K341 PolarHBondContact O-N 3.49Å; E271-K341 WeakPolarHBondContact OE2-CE 3.42Å; E271-K341 IonicContact OE2-NZ 2.74Å; E271-K341 PolarHBondContact OE2-NZ 3.3Å
272D80.3Confident80.7Confident42 Ų4246.4 Ų46.423%0.22525%0.245CC..SBendtrans-103172.5175.2-70.1-8.8000112.4N266 W267 H274 G339N266-D272 HydrophobicContact CB-CB 4.14Å; N266-D272 VanDerWaalsContact CB-CG 3.43Å; N266-D272 WeakPolarHBondContact CB-OD2 3.4Å; N266-D272 PolarHBondContact O-N 3.04Å; N266-D272 VanDerWaalsContact O-N 3.15Å; W267-D272 HydrophobicContact CB-CB 4.3Å; D272-H274 PolarHBondContact O-N 3.11Å; D272-H274 PolarHBondContact O-ND1 2.67Å; D272-G339 VanDerWaalsContact O-CA 3.22Å; D272-G339 WeakPolarHBondContact O-CA 3.44Å
273D85.1Confident82.5Confident64 Ų6443 Ų4334%0.34222%0.224SC..  trans-62120179.3-72.86.9000110.3L303 K338 G339D273-L303 HydrophobicContact CB-CD1 3.88Å; D273-L303 WeakPolarHBondContact O-CD1 3.41Å; D273-K338 WeakPolarHBondContact OD1-CA 3.13Å; D273-K338 VanDerWaalsContact OD1-CG 3.25Å; D273-K338 WeakPolarHBondContact OD1-CG 3.47Å; D273-G339 PolarHBondContact OD1-N 3.34Å
274H88.4Confident84.2Confident15 Ų1542.3 Ų42.37%0.06923%0.23CC..EExtended strand (participates in β ladder)trans-136161.5-175.360.1-78.4000110.6W267 G270 D272 R337W267-H274 HydrophobicContact CB-CB 4.32Å; W267-H274 WeakPolarHBondContact O-CB 3.26Å; G270-H274 VanDerWaalsContact CA-CE1 3.48Å; G270-H274 WeakPolarHBondContact CA-CE1 3.4Å; D272-H274 PolarHBondContact O-N 3.11Å; D272-H274 PolarHBondContact O-ND1 2.67Å; H274-R337 PolarHBondContact N-O 3.37Å; H274-R337 PolarHBondContact O-N 3.45Å; H274-R337 VanDerWaalsContact O-O 3.08Å
275V90.4Very high85.6Confident19 Ų1941.5 Ų41.512%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-103128.8173.8173.10000108.6L301 L303 I333 K336V275-L301 HydrophobicContact CB-CB 3.98Å; V275-L301 HydrophobicContact CG1-CB 4.41Å; V275-L301 HydrophobicContact CG1-CD1 4.03Å; V275-L301 PolarHBondContact N-O 3.3Å; V275-L301 WeakPolarHBondContact O-CA 3.46Å; V275-L301 WeakPolarHBondContact O-CB 3.46Å; V275-L301 PolarHBondContact O-N 2.92Å; V275-L303 HydrophobicContact CG2-CD2 4.38Å; V275-I333 HydrophobicContact CG1-CG2 3.51Å; V275-K336 HydrophobicContact CG2-CG 3.71Å
276V91.5Very high86.4Confident4 Ų443.2 Ų43.22%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-92131.1176.7179.10000109.4M298 L334 G335 R337V276-M298 HydrophobicContact CG1-CE 3.25Å; V276-L334 HydrophobicContact CG1-CD1 4.23Å; V276-L334 WeakPolarHBondContact O-CB 3.14Å; V276-L334 PolarHBondContact O-N 3.26Å; V276-G335 PolarHBondContact N-O 2.95Å; V276-G335 PolarHBondContact O-N 2.9Å; V276-R337 HydrophobicContact CG2-CB 4.26Å; V276-R337 HydrophobicContact CG2-CG 3.71Å
277A91.8Very high86.6Confident0 Ų043.7 Ų43.70%025%0.246CC..EExtended strand (participates in β ladder)trans-127.4155.1172.600000111.3L299 L301 V331 K332A277-L299 PolarHBondContact N-O 3.17Å; A277-L299 PolarHBondContact O-N 3.46Å; A277-L301 HydrophobicContact CB-CD1 3.51Å; A277-L301 HydrophobicContact CB-CG 4Å; A277-V331 HydrophobicContact CB-CB 4.19Å; A277-V331 HydrophobicContact CB-CG2 4.46Å; A277-K332 CarbonylContact C-O 3.59Å; A277-K332 VanDerWaalsContact CA-O 3.26Å; A277-K332 WeakPolarHBondContact CA-O 3.36Å
278R93Very high86.6Confident137 Ų13752.6 Ų52.652%0.51729%0.288SS..EExtended strand (participates in β ladder)trans-114.2130.5174.8-174.4177.7-176.2-166.8-3.6109.6E280 D297 M298 V331 K332 L334R278-E280 PolarHBondContact O-N 3.36Å; R278-D297 CarbonylContact C-O 3.13Å; R278-D297 WeakPolarHBondContact CA-O 3.31Å; R278-M298 HydrophobicContact CB-SD 4.04Å; R278-M298 HydrophobicContact CG-SD 4.16Å; R278-V331 CarbonylContact O-C 3.59Å; R278-V331 WeakPolarHBondContact O-CA 3.34Å; R278-K332 PolarHBondContact N-O 3.41Å; R278-K332 PolarHBondContact O-N 3.36Å; R278-L334 HydrophobicContact CB-CD1 3.89Å; R278-L334 HydrophobicContact CB-CD2 4.44Å; R278-L334 HydrophobicContact CB-CG 4.18Å
279A93.1Very high86.7Confident3 Ų357.8 Ų57.83%0.02531%0.312CS..EExtended strand (participates in β ladder)trans-65.5128.1173.200000111F293 R294 G296 D297 L299A279-F293 HydrophobicContact CB-CD2 3.33Å; A279-F293 HydrophobicContact CB-CE2 3.55Å; A279-F293 HydrophobicContact CB-CG 4.43Å; A279-R294 WeakPolarHBondContact CB-O 3.32Å; A279-G296 PolarHBondContact O-N 3.49Å; A279-D297 HydrophobicContact CB-CB 4.36Å; A279-D297 PolarHBondContact N-O 2.93Å; A279-L299 HydrophobicContact CB-CD1 4.31Å
280E91Very high87.1Confident66 Ų6655.5 Ų55.531%0.30830%0.295SS..SBendtrans-92.3-23.3174.4-64.9-163.115500112.2R50 R278 Y330 K332R50-E280 IonicContact CZ-OE2 4Å; R50-E280 IonicContact NH1-OE1 3.02Å; R50-E280 IonicContact NH1-OE2 3.36Å; R50-E280 PolarHBondContact NH1-OE2 3.34Å; R50-E280 IonicContact NH2-OE2 3.65Å; R278-E280 PolarHBondContact O-N 3.36Å; E280-Y330 PolarHBondContact N-O 3.15Å; E280-K332 HydrophobicContact CG-CB 3.88Å; E280-K332 WeakPolarHBondContact OE1-CB 3.26Å; E280-K332 WeakPolarHBondContact OE1-CD 3.25Å
281Y89.5Confident87.6Confident26 Ų2655.8 Ų55.810%0.10229%0.293CS..SBendtrans-138160.2-176.1-52.8-87.6000110.6R50 P52 P53 F293R50-Y281 HydrophobicContact CB-CE1 3.91Å; R50-Y281 WeakPolarHBondContact CD-OH 3.42Å; R50-Y281 HydrophobicContact CG-CE1 3.71Å; R50-Y281 WeakPolarHBondContact CG-OH 3.39Å; R50-Y281 PolarHBondContact NE-OH 2.83Å; R50-Y281 PolarHBondContact NH1-OH 3.36Å; P52-Y281 HydrophobicContact CB-CD1 3.94Å; P52-Y281 HydrophobicContact CB-CE1 4.41Å; P52-Y281 HydrophobicContact CB-CG 4.26Å; P53-Y281 HydrophobicContact CG-CE2 4.13Å; Y281-F293 WeakPolarHBondContact O-CE2 3.3Å
282D89.4Confident88.1Confident110 Ų11055.9 Ų55.959%0.58830%0.302SS*.  trans-74.1138171.6-59.1-34.6000110.5R294 A295D282-R294 VanDerWaalsContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CB 3.42Å; D282-A295 PolarHBondContact OD1-N 3.17Å
283F89.3Confident88.7Confident10 Ų1054.2 Ų54.24%0.04429%0.293CS..BIsolated β-bridgetrans-135.7125.6176.5-179.9-101.5000110.5I55 E290 I291 S292 F293 W313 P327 Y330I55-F283 HydrophobicContact CD1-CE2 4.25Å; F283-E290 HydrophobicContact CE1-CB 4.41Å; F283-I291 WeakPolarHBondContact CD1-O 3.37Å; F283-S292 CarbonylContact O-C 3.56Å; F283-S292 VanDerWaalsContact O-CA 3.29Å; F283-S292 WeakPolarHBondContact O-CA 3.34Å; F283-F293 HydrophobicContact CB-CD1 4.05Å; F283-F293 HydrophobicContact CB-CD2 4.27Å; F283-F293 HydrophobicContact CB-CE1 3.56Å; F283-F293 HydrophobicContact CB-CE2 3.84Å; F283-F293 HydrophobicContact CB-CG 4.39Å; F283-F293 HydrophobicContact CB-CZ 3.47Å; F283-F293 VanDerWaalsContact CB-CZ 3.47Å; F283-F293 HydrophobicContact CD1-CD1 4.11Å; F283-F293 AromaticContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CZ 4.34Å; F283-F293 AromaticContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CZ 4.09Å; F283-F293 PolarHBondContact N-O 3.33Å; F283-F293 PolarHBondContact O-N 3.26Å; F283-F293 VanDerWaalsContact O-O 3.13Å; F283-W313 HydrophobicContact CE2-CH2 4.47Å; F283-W313 HydrophobicContact CZ-CH2 4.04Å; F283-W313 HydrophobicContact CZ-CZ3 4.05Å; F283-P327 HydrophobicContact CD2-CG 3.75Å; F283-P327 HydrophobicContact CE2-CG 3.78Å; F283-P327 HydrophobicContact CG-CG 4.21Å; F283-P327 HydrophobicContact CZ-CG 4.25Å; F283-Y330 HydrophobicContact CB-CD1 4.14Å; F283-Y330 HydrophobicContact CD2-CD1 4.31Å; F283-Y330 HydrophobicContact CD2-CE1 4.35Å
284A89.4Confident89Confident73 Ų7360.1 Ų60.160%0.60331%0.31SS*.  trans-100.5121.2174.400000110
285A86.8Confident89.1Confident37 Ų3761.9 Ų61.931%0.30633%0.328SS..  trans-64.3140.4172.100000110.6E290A285-E290 WeakPolarHBondContact CA-OE2 3.36Å; A285-E290 HydrophobicContact CB-CB 3.71Å; A285-E290 WeakPolarHBondContact CB-O 3.47Å
286V83.4Confident89Confident115 Ų11562.4 Ų62.470%0.69734%0.337SS*.  trans-115.9-26.4174.61790000110.9R58 E290R58-V286 VanDerWaalsContact NH1-CB 3.27Å; V286-E290 PolarHBondContact N-OE2 2.84Å
287S81.5Confident89.1Confident34 Ų3464.8 Ų64.824%0.23835%0.35CS..SBendtrans-106.3154.1175.4-172.50000110.9E289 E290S287-E289 PolarHBondContact O-N 2.88Å; S287-E289 PolarHBondContact OG-N 3.42Å; S287-E290 PolarHBondContact N-OE2 3.47Å; S287-E290 WeakPolarHBondContact O-CB 3.38Å; S287-E290 PolarHBondContact O-N 3.31Å
288E82Confident89Confident202 Ų20269 Ų6994%0.94437%0.37SS*.THydrogen-bonded Turntrans-63.2-19.8170.7-61.8-179-179.600112.4E290E288-E290 VanDerWaalsContact C-N 3.3Å
289E85.5Confident89Confident109 Ų10962.5 Ų62.551%0.50935%0.346SS..THydrogen-bonded Turntrans-80.9-8174.9-59.9178.4174.400113.2S287 G324 L325S287-E289 PolarHBondContact O-N 2.88Å; S287-E289 PolarHBondContact OG-N 3.42Å; E289-G324 CarbonylContact O-C 3.6Å; E289-G324 WeakPolarHBondContact O-CA 3.32Å; E289-L325 PolarHBondContact O-N 2.96Å
290E89.4Confident88.9Confident13 Ų1364 Ų646%0.06135%0.353CS..BIsolated β-bridgetrans-107.8149.9-177.5-64.8171.5-17900110.6R58 F283 A285 V286 S287 E288 W313 L325R58-E290 IonicContact CZ-OE1 2.72Å; R58-E290 IonicContact CZ-OE2 3.41Å; R58-E290 VanDerWaalsContact NH1-CD 3.28Å; R58-E290 IonicContact NH1-OE1 3.3Å; R58-E290 PolarHBondContact NH1-OE1 2.94Å; R58-E290 IonicContact NH1-OE2 3.75Å; R58-E290 PolarHBondContact NH1-OE2 3.23Å; F283-E290 HydrophobicContact CE1-CB 4.41Å; A285-E290 WeakPolarHBondContact CA-OE2 3.36Å; A285-E290 HydrophobicContact CB-CB 3.71Å; A285-E290 WeakPolarHBondContact CB-O 3.47Å; V286-E290 PolarHBondContact N-OE2 2.84Å; S287-E290 PolarHBondContact N-OE2 3.47Å; S287-E290 WeakPolarHBondContact O-CB 3.38Å; S287-E290 PolarHBondContact O-N 3.31Å; E288-E290 VanDerWaalsContact C-N 3.3Å; E290-W313 HydrophobicContact CG-CZ3 4.21Å; E290-L325 WeakPolarHBondContact CA-O 3.3Å
291I89.3Confident88.9Confident18 Ų1861 Ų619%0.09234%0.339CS..  trans-110.5136.2172.858.7172000111.2F283 L299 A316 L318 L325 I326F283-I291 WeakPolarHBondContact CD1-O 3.37Å; I291-L299 HydrophobicContact CD1-CD2 4.01Å; I291-A316 HydrophobicContact CD1-CB 3.94Å; I291-L318 HydrophobicContact CD1-CB 4.48Å; I291-L325 PolarHBondContact N-O 3.47Å; I291-I326 HydrophobicContact CD1-CG2 3.62Å; I291-I326 HydrophobicContact CG1-CG2 3.21Å
292S90.8Very high88.8Confident77 Ų7759.9 Ų59.954%0.53834%0.336SS..  trans-84135.9173.857.10000110.7F283F283-S292 CarbonylContact O-C 3.56Å; F283-S292 VanDerWaalsContact O-CA 3.29Å; F283-S292 WeakPolarHBondContact O-CA 3.34Å
293F91.8Very high88.5Confident7 Ų757.2 Ų57.23%0.03132%0.321CS..BIsolated β-bridgetrans-147.7160.7178.661.6-95000111.1A279 Y281 F283 L299 L318 I326 V331A279-F293 HydrophobicContact CB-CD2 3.33Å; A279-F293 HydrophobicContact CB-CE2 3.55Å; A279-F293 HydrophobicContact CB-CG 4.43Å; Y281-F293 WeakPolarHBondContact O-CE2 3.3Å; F283-F293 HydrophobicContact CB-CD1 4.05Å; F283-F293 HydrophobicContact CB-CD2 4.27Å; F283-F293 HydrophobicContact CB-CE1 3.56Å; F283-F293 HydrophobicContact CB-CE2 3.84Å; F283-F293 HydrophobicContact CB-CG 4.39Å; F283-F293 HydrophobicContact CB-CZ 3.47Å; F283-F293 VanDerWaalsContact CB-CZ 3.47Å; F283-F293 HydrophobicContact CD1-CD1 4.11Å; F283-F293 AromaticContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CZ 4.34Å; F283-F293 AromaticContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CZ 4.09Å; F283-F293 PolarHBondContact N-O 3.33Å; F283-F293 PolarHBondContact O-N 3.26Å; F283-F293 VanDerWaalsContact O-O 3.13Å; F293-L299 HydrophobicContact CB-CD2 4.37Å; F293-L299 HydrophobicContact CD1-CD1 4.27Å; F293-L299 HydrophobicContact CD2-CD1 4.2Å; F293-L299 HydrophobicContact CE2-CD1 4.48Å; F293-L299 HydrophobicContact CG-CD1 4.07Å; F293-L318 HydrophobicContact CB-CD1 3.8Å; F293-I326 HydrophobicContact CD1-CG2 3.86Å; F293-I326 HydrophobicContact CE1-CB 3.75Å; F293-I326 HydrophobicContact CE1-CG2 3.53Å; F293-I326 HydrophobicContact CZ-CB 4.47Å; F293-V331 HydrophobicContact CE2-CG1 4.15Å; F293-V331 HydrophobicContact CZ-CG1 3.99Å
294R91.9Very high88Confident187 Ų18766 Ų6671%0.70636%0.359SS*.  trans-110.2157179.2-64.9-176.4-178.4-174.40.6111.9A279 D282 G296 D297A279-R294 WeakPolarHBondContact CB-O 3.32Å; D282-R294 VanDerWaalsContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CB 3.42Å; R294-G296 PolarHBondContact O-N 2.83Å; R294-D297 PolarHBondContact N-OD2 2.83Å; R294-D297 VanDerWaalsContact O-CB 3.32Å; R294-D297 WeakPolarHBondContact O-CB 3.42Å; R294-D297 VanDerWaalsContact O-CG 3.28Å; R294-D297 PolarHBondContact O-N 3.19Å
295A90.6Very high87.4Confident52 Ų5271.1 Ų71.143%0.4337%0.371SS..THydrogen-bonded Turntrans-56.8123.2174.200000109.9D282D282-A295 PolarHBondContact OD1-N 3.17Å
296G89.1Confident86.9Confident30 Ų3074.7 Ų74.731%0.30938%0.381SS..THydrogen-bonded Turntrans103.7-15.5-176.900000114.9A279 R294A279-G296 PolarHBondContact O-N 3.49Å; R294-G296 PolarHBondContact O-N 2.83Å
297D91.9Very high86.9Confident55 Ų5570.9 Ų70.929%0.29436%0.356SS..  trans-65.5148.3179.8-68.6-12000112R278 A279 R294R278-D297 CarbonylContact C-O 3.13Å; R278-D297 WeakPolarHBondContact CA-O 3.31Å; A279-D297 HydrophobicContact CB-CB 4.36Å; A279-D297 PolarHBondContact N-O 2.93Å; R294-D297 PolarHBondContact N-OD2 2.83Å; R294-D297 VanDerWaalsContact O-CB 3.32Å; R294-D297 WeakPolarHBondContact O-CB 3.42Å; R294-D297 VanDerWaalsContact O-CG 3.28Å; R294-D297 PolarHBondContact O-N 3.19Å
298M91Very high86.6Confident88 Ų8871.7 Ų71.743%0.43336%0.36SS..EExtended strand (participates in β ladder)trans-102.8121.3-180-67-69.1-67.700109V276 R278 L334V276-M298 HydrophobicContact CG1-CE 3.25Å; R278-M298 HydrophobicContact CB-SD 4.04Å; R278-M298 HydrophobicContact CG-SD 4.16Å; M298-L334 HydrophobicContact CE-CD1 3.62Å; M298-L334 HydrophobicContact SD-CD1 3.82Å
299L91.7Very high86.3Confident0 Ų072.6 Ų72.60%036%0.361CS..EExtended strand (participates in β ladder)trans-117.3135.3-172.9-65156.2000109.5A277 A279 I291 F293 L318 I326 V331A277-L299 PolarHBondContact N-O 3.17Å; A277-L299 PolarHBondContact O-N 3.46Å; A279-L299 HydrophobicContact CB-CD1 4.31Å; I291-L299 HydrophobicContact CD1-CD2 4.01Å; F293-L299 HydrophobicContact CB-CD2 4.37Å; F293-L299 HydrophobicContact CD1-CD1 4.27Å; F293-L299 HydrophobicContact CD2-CD1 4.2Å; F293-L299 HydrophobicContact CE2-CD1 4.48Å; F293-L299 HydrophobicContact CG-CD1 4.07Å; L299-L318 HydrophobicContact CD2-CB 3.81Å; L299-L318 HydrophobicContact CD2-CD1 4.25Å; L299-L318 HydrophobicContact CD2-CG 4.12Å; L299-I326 HydrophobicContact CD1-CD1 3.89Å; L299-V331 HydrophobicContact CD1-CG1 3.72Å
300N91.6Very high86.1Confident34 Ų3469.2 Ų69.218%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-89.7126.9170.7-64.9-22000108.2W267 A268 A316 S317W267-N300 WeakPolarHBondContact CZ3-O 3.35Å; A268-N300 PolarHBondContact O-ND2 3.37Å; N300-A316 CarbonylContact O-C 3.52Å; N300-A316 WeakPolarHBondContact O-CA 3.36Å; N300-S317 PolarHBondContact N-O 3.05Å; N300-S317 PolarHBondContact O-N 3.07Å
301L90.3Very high85.6Confident3 Ų379.2 Ų79.22%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-110.5142.2-179-56.9176.2000110V275 A277 L314 L315 A316 I326 I333V275-L301 HydrophobicContact CB-CB 3.98Å; V275-L301 HydrophobicContact CG1-CB 4.41Å; V275-L301 HydrophobicContact CG1-CD1 4.03Å; V275-L301 PolarHBondContact N-O 3.3Å; V275-L301 WeakPolarHBondContact O-CA 3.46Å; V275-L301 WeakPolarHBondContact O-CB 3.46Å; V275-L301 PolarHBondContact O-N 2.92Å; A277-L301 HydrophobicContact CB-CD1 3.51Å; A277-L301 HydrophobicContact CB-CG 4Å; L301-L314 HydrophobicContact CD1-CD1 4.15Å; L301-L314 HydrophobicContact CD2-CB 4.27Å; L301-L315 WeakPolarHBondContact CA-O 3.31Å; L301-A316 HydrophobicContact CD2-CB 3.44Å; L301-A316 VanDerWaalsContact CD2-CB 3.44Å; L301-I326 HydrophobicContact CD2-CD1 3.74Å; L301-I326 HydrophobicContact CD2-CG1 4.42Å; L301-I333 HydrophobicContact CD1-CG1 4.26Å
302A88.1Confident85.3Confident4 Ų479.7 Ų79.73%0.03339%0.394CS..  trans-65.4150.1172.900000111.1W267 Q306 Q307 L315W267-A302 HydrophobicContact CD2-CB 3.84Å; W267-A302 HydrophobicContact CE3-CB 4Å; W267-A302 HydrophobicContact CH2-CB 3.92Å; W267-A302 HydrophobicContact CZ2-CB 3.73Å; W267-A302 HydrophobicContact CZ3-CB 4.04Å; A302-Q306 HydrophobicContact CB-CB 4.08Å; A302-Q307 PolarHBondContact O-NE2 2.91Å; A302-L315 HydrophobicContact CB-CB 4.3Å; A302-L315 HydrophobicContact CB-CD2 4.23Å; A302-L315 HydrophobicContact CB-CG 4.49Å; A302-L315 PolarHBondContact N-O 2.83Å; A302-L315 VanDerWaalsContact N-O 3.12Å
303L83.4Confident85.2Confident53 Ų5376.2 Ų76.228%0.27737%0.369SS..  trans-63.2154.9172.6-75.3165.8000111.3D273 V275 E305 Q306 Q307D273-L303 HydrophobicContact CB-CD1 3.88Å; D273-L303 WeakPolarHBondContact O-CD1 3.41Å; V275-L303 HydrophobicContact CG2-CD2 4.38Å; L303-E305 PolarHBondContact O-N 2.9Å; L303-Q306 PolarHBondContact O-N 3.43Å; L303-Q307 WeakPolarHBondContact O-CG 3.36Å; L303-Q307 PolarHBondContact O-N 3.34Å
304K78.8Confident85.1Confident195 Ų19577.7 Ų77.785%0.84838%0.377SS*.THydrogen-bonded Turntrans-52-29.2-176.1-171.7179.1177.5-173.80114
305E77.1Confident85Confident180 Ų18070.5 Ų70.584%0.84135%0.352SS*.THydrogen-bonded Turntrans-73.9-30.7178.6-66.4167.9-161.300113L303L303-E305 PolarHBondContact O-N 2.9Å
306Q77Confident85Confident112 Ų11268 Ų6852%0.52333%0.332SS..THydrogen-bonded Turntrans-95.1-1.3180-60.8-62.8-29.800112.5A302 L303A302-Q306 HydrophobicContact CB-CB 4.08Å; L303-Q306 PolarHBondContact O-N 3.43Å
307Q81.6Confident85.1Confident36 Ų3666.6 Ų66.617%0.16832%0.317CS..SBendtrans-75.3134.4178.9-72.6-70.7-2000110.4A302 L303 L315A302-Q307 PolarHBondContact O-NE2 2.91Å; L303-Q307 WeakPolarHBondContact O-CG 3.36Å; L303-Q307 PolarHBondContact O-N 3.34Å; Q307-L315 PolarHBondContact NE2-O 2.74Å
308P76.9Confident84.9Confident51 Ų5166.5 Ų66.533%0.33132%0.317SS..  trans-63.4153.1175.126.3-31.9000110.4V310 L315 L325P308-V310 HydrophobicContact CB-CG2 4.28Å; P308-V310 PolarHBondContact O-N 3.19Å; P308-L315 HydrophobicContact CG-CB 4.37Å; P308-L325 HydrophobicContact CG-CD2 3.74Å
309K75.8Confident84.4Confident220 Ų22068 Ų6896%0.95733%0.326SS*.SBendtrans-74.136.6-179.2-64.4-179.8-178.9174.50113.1
310V79.9Confident83.8Confident39 Ų3968.5 Ų68.524%0.23633%0.332CS..  trans-100.1123.5179.4-175.40000108.6P59 P308 G312 W313P59-V310 HydrophobicContact CB-CG1 3.92Å; P59-V310 HydrophobicContact CG-CG1 3.81Å; P308-V310 HydrophobicContact CB-CG2 4.28Å; P308-V310 PolarHBondContact O-N 3.19Å; V310-G312 PolarHBondContact O-N 3.31Å; V310-W313 HydrophobicContact CB-CB 4.36Å; V310-W313 HydrophobicContact CG1-CB 3.88Å; V310-W313 HydrophobicContact CG1-CG 4.06Å
311R78.8Confident83.1Confident223 Ų22374.9 Ų74.984%0.84236%0.36SS*.THydrogen-bonded Turntrans-74.3127.7-176.6-70-175.4176179-0.5110.8W313R311-W313 PolarHBondContact O-N 2.9Å
312G82.8Confident82.7Confident27 Ų2778.1 Ų78.128%0.27838%0.381SS..THydrogen-bonded Turntrans79.53.2173.400000115.5V310 A328V310-G312 PolarHBondContact O-N 3.31Å; G312-A328 WeakPolarHBondContact O-CB 3.23Å; G312-A328 PolarHBondContact O-N 3.39Å
313W89.4Confident82.8Confident4 Ų480.7 Ų80.72%0.01540%0.396CS..EExtended strand (participates in β ladder)trans-116.5138.9173.8-67.382.3000109I55 P57 R58 P59 F283 E290 V310 R311 L325 I326I55-W313 HydrophobicContact CG2-CH2 4.27Å; I55-W313 HydrophobicContact CG2-CZ2 4.01Å; P57-W313 PolarHBondContact O-NE1 2.84Å; R58-W313 HydrophobicContact CB-CH2 4.48Å; R58-W313 HydrophobicContact CB-CZ2 4.14Å; R58-W313 HydrophobicContact CG-CH2 3.95Å; R58-W313 HydrophobicContact CG-CZ2 3.8Å; P59-W313 VanDerWaalsContact CD-CE2 3.44Å; P59-W313 HydrophobicContact CG-CB 4.24Å; P59-W313 HydrophobicContact CG-CD2 3.55Å; P59-W313 HydrophobicContact CG-CE3 4.04Å; P59-W313 HydrophobicContact CG-CG 3.59Å; P59-W313 HydrophobicContact CG-CZ2 4.48Å; F283-W313 HydrophobicContact CE2-CH2 4.47Å; F283-W313 HydrophobicContact CZ-CH2 4.04Å; F283-W313 HydrophobicContact CZ-CZ3 4.05Å; E290-W313 HydrophobicContact CG-CZ3 4.21Å; V310-W313 HydrophobicContact CB-CB 4.36Å; V310-W313 HydrophobicContact CG1-CB 3.88Å; V310-W313 HydrophobicContact CG1-CG 4.06Å; R311-W313 PolarHBondContact O-N 2.9Å; W313-L325 HydrophobicContact CE3-CB 3.96Å; W313-I326 CarbonylContact C-O 3.6Å; W313-I326 WeakPolarHBondContact CA-O 3.26Å
314L89Confident83Confident38 Ų3878.4 Ų78.420%0.19939%0.385CS..EExtended strand (participates in β ladder)trans-118.2139.1-179.5-60.7172.8000108.9L301 L325 I326 A328 V331L301-L314 HydrophobicContact CD1-CD1 4.15Å; L301-L314 HydrophobicContact CD2-CB 4.27Å; L314-L325 CarbonylContact O-C 3.57Å; L314-L325 WeakPolarHBondContact O-CA 3.47Å; L314-I326 HydrophobicContact CB-CG1 4.11Å; L314-I326 PolarHBondContact N-O 3.45Å; L314-I326 WeakPolarHBondContact O-CG1 3.32Å; L314-I326 PolarHBondContact O-N 3.45Å; L314-A328 HydrophobicContact CD1-CB 3.84Å; L314-A328 HydrophobicContact CG-CB 3.96Å; L314-V331 HydrophobicContact CD1-CG2 4.23Å
315L90.4Very high83.6Confident36 Ų3669.9 Ų69.919%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-76.8123.8169.1-172.564.7000109.2W267 L301 A302 Q307 P308 L325W267-L315 HydrophobicContact CH2-CD2 4.2Å; W267-L315 HydrophobicContact CH2-CG 3.84Å; W267-L315 HydrophobicContact CZ2-CD2 3.68Å; W267-L315 HydrophobicContact CZ2-CG 3.86Å; L301-L315 WeakPolarHBondContact CA-O 3.31Å; A302-L315 HydrophobicContact CB-CB 4.3Å; A302-L315 HydrophobicContact CB-CD2 4.23Å; A302-L315 HydrophobicContact CB-CG 4.49Å; A302-L315 PolarHBondContact N-O 2.83Å; A302-L315 VanDerWaalsContact N-O 3.12Å; Q307-L315 PolarHBondContact NE2-O 2.74Å; P308-L315 HydrophobicContact CG-CB 4.37Å; L315-L325 HydrophobicContact CD1-CD2 4.41Å
316A90.3Very high84.3Confident0 Ų061.3 Ų61.30%031%0.309CS..EExtended strand (participates in β ladder)trans-140.2163-173.500000111.9I291 N300 L301 T323 G324 I326I291-A316 HydrophobicContact CD1-CB 3.94Å; N300-A316 CarbonylContact O-C 3.52Å; N300-A316 WeakPolarHBondContact O-CA 3.36Å; L301-A316 HydrophobicContact CD2-CB 3.44Å; L301-A316 VanDerWaalsContact CD2-CB 3.44Å; A316-T323 CarbonylContact O-C 3.6Å; A316-T323 WeakPolarHBondContact O-CA 3.28Å; A316-G324 PolarHBondContact N-O 3.12Å; A316-G324 PolarHBondContact O-N 3.28Å; A316-G324 VanDerWaalsContact O-O 3.1Å; A316-I326 HydrophobicContact CB-CB 4.47Å; A316-I326 HydrophobicContact CB-CD1 3.46Å; A316-I326 VanDerWaalsContact CB-CD1 3.46Å; A316-I326 HydrophobicContact CB-CG1 3.67Å; A316-I326 HydrophobicContact CB-CG2 4.01Å
317S90.6Very high84.9Confident0 Ų056.1 Ų56.10%028%0.284CS..EExtended strand (participates in β ladder)trans-136.2136.7170.6-171.50000110N300 G320 T322N300-S317 PolarHBondContact N-O 3.05Å; N300-S317 PolarHBondContact O-N 3.07Å; S317-G320 WeakPolarHBondContact OG-CA 3.25Å; S317-G320 PolarHBondContact OG-N 2.76Å; S317-T322 VanDerWaalsContact CA-O 3.31Å; S317-T322 WeakPolarHBondContact CA-O 3.36Å; S317-T322 VanDerWaalsContact CB-O 3.23Å; S317-T322 WeakPolarHBondContact CB-O 3.48Å; S317-T322 PolarHBondContact OG-O 3.37Å
318L87.6Confident85.2Confident54 Ų5455.9 Ų55.928%0.28329%0.289SS..SBendtrans-92.8-52.8176.4-169.2155.9000110.7I291 F293 L299I291-L318 HydrophobicContact CD1-CB 4.48Å; F293-L318 HydrophobicContact CB-CD1 3.8Å; L299-L318 HydrophobicContact CD2-CB 3.81Å; L299-L318 HydrophobicContact CD2-CD1 4.25Å; L299-L318 HydrophobicContact CD2-CG 4.12Å
319D81.1Confident85.9Confident119 Ų11957 Ų5764%0.63629%0.292SS*.SBendtrans-92.60.2-176.2-60.3-48.4000113.5Q321D319-Q321 PolarHBondContact O-N 2.98Å
320G78.6Confident86.5Confident11 Ų1147 Ų4711%0.11325%0.248CC..SBendtrans72.81-175.800000115.3A268 S269 S317A268-G320 CarbonylContact C-O 3.56Å; A268-G320 WeakPolarHBondContact O-CA 3.43Å; S269-G320 PolarHBondContact N-O 3.25Å; S317-G320 WeakPolarHBondContact OG-CA 3.25Å; S317-G320 PolarHBondContact OG-N 2.76Å
321Q77.6Confident87Confident167 Ų16745.8 Ų45.878%0.7824%0.241SC*.SBendtrans-113.4-43.8174.7-67.6-176.4-3.900111.9D319D319-Q321 PolarHBondContact O-N 2.98Å
322T83Confident87.6Confident72 Ų7240.9 Ų40.944%0.44223%0.225SC..  trans-89.1121.9-179.751.70000109.5S317S317-T322 VanDerWaalsContact CA-O 3.31Å; S317-T322 WeakPolarHBondContact CA-O 3.36Å; S317-T322 VanDerWaalsContact CB-O 3.23Å; S317-T322 WeakPolarHBondContact CB-O 3.48Å; S317-T322 PolarHBondContact OG-O 3.37Å
323T88.8Confident88.1Confident58 Ų5844.6 Ų44.636%0.35624%0.238SC..EExtended strand (participates in β ladder)trans-107.2138.7175.1550000109.5I265 W267 A268 A316I265-T323 HydrophobicContact CG2-CG2 4.38Å; W267-T323 HydrophobicContact CH2-CG2 3.84Å; W267-T323 HydrophobicContact CZ2-CG2 3.83Å; A268-T323 HydrophobicContact CB-CG2 3.83Å; A316-T323 CarbonylContact O-C 3.6Å; A316-T323 WeakPolarHBondContact O-CA 3.28Å
324G88.7Confident88Confident4 Ų449 Ų494%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-168177174.600000112.9E289 A316E289-G324 CarbonylContact O-C 3.6Å; E289-G324 WeakPolarHBondContact O-CA 3.32Å; A316-G324 PolarHBondContact N-O 3.12Å; A316-G324 PolarHBondContact O-N 3.28Å; A316-G324 VanDerWaalsContact O-O 3.1Å
325L90.4Very high87.9Confident17 Ų1748.5 Ų48.59%0.08927%0.266CS..EExtended strand (participates in β ladder)trans-86.5135.5-172.2-62.6171.7000110.6P59 E289 E290 I291 P308 W313 L314 L315P59-L325 HydrophobicContact CB-CD1 4.09Å; P59-L325 HydrophobicContact CG-CD1 3.88Å; E289-L325 PolarHBondContact O-N 2.96Å; E290-L325 WeakPolarHBondContact CA-O 3.3Å; I291-L325 PolarHBondContact N-O 3.47Å; P308-L325 HydrophobicContact CG-CD2 3.74Å; W313-L325 HydrophobicContact CE3-CB 3.96Å; L314-L325 CarbonylContact O-C 3.57Å; L314-L325 WeakPolarHBondContact O-CA 3.47Å; L315-L325 HydrophobicContact CD1-CD2 4.41Å
326I91.1Very high87.7Confident0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-128.4149174.164.5169.4000111.3I291 F293 L299 L301 W313 L314 A316 A328 V331I291-I326 HydrophobicContact CD1-CG2 3.62Å; I291-I326 HydrophobicContact CG1-CG2 3.21Å; F293-I326 HydrophobicContact CD1-CG2 3.86Å; F293-I326 HydrophobicContact CE1-CB 3.75Å; F293-I326 HydrophobicContact CE1-CG2 3.53Å; F293-I326 HydrophobicContact CZ-CB 4.47Å; L299-I326 HydrophobicContact CD1-CD1 3.89Å; L301-I326 HydrophobicContact CD2-CD1 3.74Å; L301-I326 HydrophobicContact CD2-CG1 4.42Å; W313-I326 CarbonylContact C-O 3.6Å; W313-I326 WeakPolarHBondContact CA-O 3.26Å; L314-I326 HydrophobicContact CB-CG1 4.11Å; L314-I326 PolarHBondContact N-O 3.45Å; L314-I326 WeakPolarHBondContact O-CG1 3.32Å; L314-I326 PolarHBondContact O-N 3.45Å; A316-I326 HydrophobicContact CB-CB 4.47Å; A316-I326 HydrophobicContact CB-CD1 3.46Å; A316-I326 VanDerWaalsContact CB-CD1 3.46Å; A316-I326 HydrophobicContact CB-CG1 3.67Å; A316-I326 HydrophobicContact CB-CG2 4.01Å; I326-A328 PolarHBondContact O-N 2.86Å; I326-V331 HydrophobicContact CD1-CB 4.43Å; I326-V331 HydrophobicContact CD1-CG1 3.64Å; I326-V331 HydrophobicContact CD1-CG2 4.05Å
327P90.4Very high87.4Confident2 Ų262.4 Ų62.41%0.01332%0.321CS..EExtended strand (participates in β ladder)trans-71.4128175.723.3-27.2000111.2F283 N329 Y330F283-P327 HydrophobicContact CD2-CG 3.75Å; F283-P327 HydrophobicContact CE2-CG 3.78Å; F283-P327 HydrophobicContact CG-CG 4.21Å; F283-P327 HydrophobicContact CZ-CG 4.25Å; P327-N329 PolarHBondContact O-N 2.86Å; P327-Y330 HydrophobicContact CB-CD2 3.89Å; P327-Y330 HydrophobicContact CB-CG 4.34Å; P327-Y330 HydrophobicContact CG-CD1 4.36Å; P327-Y330 HydrophobicContact CG-CD2 3.72Å; P327-Y330 HydrophobicContact CG-CE2 4.44Å; P327-Y330 HydrophobicContact CG-CG 3.72Å; P327-Y330 PolarHBondContact O-N 3.25Å; P327-Y330 VanDerWaalsContact O-N 3.12Å
328A88.9Confident86.8Confident32 Ų3268.6 Ų68.626%0.26435%0.347SS..G310 helixtrans-60-30.2179.800000112.9G312 L314 I326 Y330G312-A328 WeakPolarHBondContact O-CB 3.23Å; G312-A328 PolarHBondContact O-N 3.39Å; L314-A328 HydrophobicContact CD1-CB 3.84Å; L314-A328 HydrophobicContact CG-CB 3.96Å; I326-A328 PolarHBondContact O-N 2.86Å; A328-Y330 PolarHBondContact O-N 2.86Å
329N90.6Very high86.3Confident74 Ų7466 Ų6640%0.39633%0.334SS..G310 helixtrans-72.1-12.8-178.7-63.9-15.3000113.7P53 P327P53-N329 HydrophobicContact CG-CB 4.16Å; P327-N329 PolarHBondContact O-N 2.86Å
330Y88.6Confident85.7Confident11 Ų1168.8 Ų68.84%0.04334%0.335CS..G310 helixtrans-99.8-7.1-175-78.7-123.9000112.3P52 P53 I55 E280 F283 P327 A328P52-Y330 HydrophobicContact CB-CE1 4.19Å; P53-Y330 HydrophobicContact CG-CD2 4.35Å; P53-Y330 HydrophobicContact CG-CE2 4.03Å; P53-Y330 WeakPolarHBondContact O-CE2 3.28Å; P53-Y330 PolarHBondContact O-OH 3.06Å; I55-Y330 HydrophobicContact CG1-CE2 3.83Å; I55-Y330 WeakPolarHBondContact CG1-OH 3.02Å; E280-Y330 PolarHBondContact N-O 3.15Å; F283-Y330 HydrophobicContact CB-CD1 4.14Å; F283-Y330 HydrophobicContact CD2-CD1 4.31Å; F283-Y330 HydrophobicContact CD2-CE1 4.35Å; P327-Y330 HydrophobicContact CB-CD2 3.89Å; P327-Y330 HydrophobicContact CB-CG 4.34Å; P327-Y330 HydrophobicContact CG-CD1 4.36Å; P327-Y330 HydrophobicContact CG-CD2 3.72Å; P327-Y330 HydrophobicContact CG-CE2 4.44Å; P327-Y330 HydrophobicContact CG-CG 3.72Å; P327-Y330 PolarHBondContact O-N 3.25Å; P327-Y330 VanDerWaalsContact O-N 3.12Å; A328-Y330 PolarHBondContact O-N 2.86Å
331V90.8Very high84.9Confident13 Ų1372.6 Ų72.68%0.07935%0.349CS..EExtended strand (participates in β ladder)trans-125.7140.4-174.9-63.10000111.5A277 R278 F293 L299 L314 I326A277-V331 HydrophobicContact CB-CB 4.19Å; A277-V331 HydrophobicContact CB-CG2 4.46Å; R278-V331 CarbonylContact O-C 3.59Å; R278-V331 WeakPolarHBondContact O-CA 3.34Å; F293-V331 HydrophobicContact CE2-CG1 4.15Å; F293-V331 HydrophobicContact CZ-CG1 3.99Å; L299-V331 HydrophobicContact CD1-CG1 3.72Å; L314-V331 HydrophobicContact CD1-CG2 4.23Å; I326-V331 HydrophobicContact CD1-CB 4.43Å; I326-V331 HydrophobicContact CD1-CG1 3.64Å; I326-V331 HydrophobicContact CD1-CG2 4.05Å
332K92Very high84.1Confident119 Ų11967.1 Ų67.152%0.51733%0.327SS..EExtended strand (participates in β ladder)trans-100.4116.8172.7-174176.1-170.41640109.7A277 R278 E280 L334A277-K332 CarbonylContact C-O 3.59Å; A277-K332 VanDerWaalsContact CA-O 3.26Å; A277-K332 WeakPolarHBondContact CA-O 3.36Å; R278-K332 PolarHBondContact N-O 3.41Å; R278-K332 PolarHBondContact O-N 3.36Å; E280-K332 HydrophobicContact CG-CB 3.88Å; E280-K332 WeakPolarHBondContact OE1-CB 3.26Å; E280-K332 WeakPolarHBondContact OE1-CD 3.25Å; K332-L334 PolarHBondContact O-N 2.94Å
333I91.8Very high83Confident106 Ų10666.1 Ų66.154%0.54432%0.321SS..EExtended strand (participates in β ladder)trans-68.7123175.6-59.8169.6000108.9V275 L301V275-I333 HydrophobicContact CG1-CG2 3.51Å; L301-I333 HydrophobicContact CD1-CG1 4.26Å
334L88.4Confident81.6Confident95 Ų9567.9 Ų67.950%0.49733%0.325SS..EExtended strand (participates in β ladder)trans-92.8-29.3178.8-63.4178.5000112.1V276 R278 M298 K332V276-L334 HydrophobicContact CG1-CD1 4.23Å; V276-L334 WeakPolarHBondContact O-CB 3.14Å; V276-L334 PolarHBondContact O-N 3.26Å; R278-L334 HydrophobicContact CB-CD1 3.89Å; R278-L334 HydrophobicContact CB-CD2 4.44Å; R278-L334 HydrophobicContact CB-CG 4.18Å; M298-L334 HydrophobicContact CE-CD1 3.62Å; M298-L334 HydrophobicContact SD-CD1 3.82Å; K332-L334 PolarHBondContact O-N 2.94Å
335G86.3Confident80.2Confident29 Ų2971.4 Ų71.430%0.29935%0.349SS..EExtended strand (participates in β ladder)trans149172.6173.800000114V276V276-G335 PolarHBondContact N-O 2.95Å; V276-G335 PolarHBondContact O-N 2.9Å
336K86.9Confident78.7Confident174 Ų17473.3 Ų73.376%0.75736%0.364SS*.EExtended strand (participates in β ladder)trans-77.4133.2174-67.6173.2180-166.10109.7V275V275-K336 HydrophobicContact CG2-CG 3.71Å
337R82.4Confident77.2Confident154 Ų15479.8 Ų79.858%0.58139%0.392SS*.EExtended strand (participates in β ladder)trans-114.9135.2169.9-71.3-161.8-179.9-177.6-3.1109.6H274 V276H274-R337 PolarHBondContact N-O 3.37Å; H274-R337 PolarHBondContact O-N 3.45Å; H274-R337 VanDerWaalsContact O-O 3.08Å; V276-R337 HydrophobicContact CG2-CB 4.26Å; V276-R337 HydrophobicContact CG2-CG 3.71Å
338K79.8Confident75.6Confident129 Ų12985.8 Ų85.856%0.56142%0.422SS*.  trans-76.1133.9175.4-161.8172-176.5174.50109.1D273 T342 V343D273-K338 WeakPolarHBondContact OD1-CA 3.13Å; D273-K338 VanDerWaalsContact OD1-CG 3.25Å; D273-K338 WeakPolarHBondContact OD1-CG 3.47Å; K338-T342 HydrophobicContact CD-CG2 4.44Å; K338-V343 HydrophobicContact CB-CG2 4.48Å
339G75.5Confident74Confident0 Ų089 Ų890%044%0.443CS..  trans-59.5148-176.800000113.3E271 D272 D273 K341 T342 V343E271-G339 CarbonylContact O-C 3.59Å; E271-G339 WeakPolarHBondContact O-CA 3.17Å; D272-G339 VanDerWaalsContact O-CA 3.22Å; D272-G339 WeakPolarHBondContact O-CA 3.44Å; D273-G339 PolarHBondContact OD1-N 3.34Å; G339-K341 VanDerWaalsContact C-N 3.32Å; G339-K341 PolarHBondContact O-N 3.44Å; G339-T342 PolarHBondContact O-N 3.43Å; G339-V343 WeakPolarHBondContact O-CG2 3.47Å; G339-V343 PolarHBondContact O-N 2.9Å; G339-V343 VanDerWaalsContact O-N 3.16Å
340R68.8Low72.2Confident178 Ų17894.4 Ų94.467%0.67246%0.463SS*.Hα-helixtrans-61.8-37.6-179.1-170.3174.3176.8155.8-0.2112.5G270 E271 T342 V343 E344G270-R340 PolarHBondContact O-N 3.44Å; E271-R340 PolarHBondContact O-N 3.23Å; R340-T342 PolarHBondContact O-N 3.17Å; R340-V343 PolarHBondContact O-N 2.96Å; R340-E344 WeakPolarHBondContact CG-OE2 3.13Å; R340-E344 IonicContact NE-OE2 3.99Å; R340-E344 PolarHBondContact NE-OE2 2.8Å; R340-E344 VanDerWaalsContact NE-OE2 3.1Å; R340-E344 WeakPolarHBondContact O-CG 3.49Å; R340-E344 PolarHBondContact O-N 3.36Å
341K62.4Low70Confident90 Ų90101.7 Ų101.739%0.39150%0.497SS..Hα-helixtrans-58.7-47.7175.8-76.4176.4170.1158.10110.9N266 E271 G339 V343 E344 S345N266-K341 PolarHBondContact ND2-NZ 3.33Å; E271-K341 HydrophobicContact CB-CD 3.96Å; E271-K341 HydrophobicContact CB-CG 4.1Å; E271-K341 PolarHBondContact O-N 3.49Å; E271-K341 WeakPolarHBondContact OE2-CE 3.42Å; E271-K341 IonicContact OE2-NZ 2.74Å; E271-K341 PolarHBondContact OE2-NZ 3.3Å; G339-K341 VanDerWaalsContact C-N 3.32Å; G339-K341 PolarHBondContact O-N 3.44Å; K341-V343 VanDerWaalsContact C-N 3.29Å; K341-V343 PolarHBondContact O-N 3.38Å; K341-E344 PolarHBondContact O-N 2.74Å; K341-S345 PolarHBondContact O-N 2.88Å; K341-S345 PolarHBondContact O-OG 2.85Å
342T60Low67.4Low52 Ų52109.7 Ų109.732%0.31953%0.534SS..Hα-helixtrans-65.1-32.3-179.8-31.90000112.8K338 G339 R340 S346K338-T342 HydrophobicContact CD-CG2 4.44Å; G339-T342 PolarHBondContact O-N 3.43Å; R340-T342 PolarHBondContact O-N 3.17Å; T342-S346 WeakPolarHBondContact O-CB 3.06Å; T342-S346 PolarHBondContact O-N 2.92Å; T342-S346 PolarHBondContact O-OG 2.8Å
343V61.3Low64.9Low52 Ų52108.5 Ų108.532%0.31554%0.538SS..Hα-helixtrans-73.3-41.5175.4177.10000111.1K338 G339 R340 K341 S346 K347K338-V343 HydrophobicContact CB-CG2 4.48Å; G339-V343 WeakPolarHBondContact O-CG2 3.47Å; G339-V343 PolarHBondContact O-N 2.9Å; G339-V343 VanDerWaalsContact O-N 3.16Å; R340-V343 PolarHBondContact O-N 2.96Å; K341-V343 VanDerWaalsContact C-N 3.29Å; K341-V343 PolarHBondContact O-N 3.38Å; V343-S346 PolarHBondContact O-N 2.64Å; V343-S346 PolarHBondContact O-OG 3.19Å; V343-K347 PolarHBondContact O-N 2.85Å
344E59.7Low62.1Low95 Ų95108.8 Ų108.844%0.44455%0.55SS..Hα-helixtrans-67.5-44.3178.3-70-16856.800112R340 K341 S346 K347 I348R340-E344 WeakPolarHBondContact CG-OE2 3.13Å; R340-E344 IonicContact NE-OE2 3.99Å; R340-E344 PolarHBondContact NE-OE2 2.8Å; R340-E344 VanDerWaalsContact NE-OE2 3.1Å; R340-E344 WeakPolarHBondContact O-CG 3.49Å; R340-E344 PolarHBondContact O-N 3.36Å; K341-E344 PolarHBondContact O-N 2.74Å; E344-S346 VanDerWaalsContact C-N 3.26Å; E344-S346 PolarHBondContact O-N 2.94Å; E344-K347 PolarHBondContact O-N 2.68Å; E344-K347 VanDerWaalsContact O-N 3.07Å; E344-I348 WeakPolarHBondContact O-CD1 3.44Å; E344-I348 VanDerWaalsContact O-CG1 3.3Å; E344-I348 WeakPolarHBondContact O-CG1 3.43Å; E344-I348 PolarHBondContact O-N 3.4Å
345S58.6Low59.6Low78 Ų78113.3 Ų113.355%0.54557%0.566SS.*Hα-helixtrans-57.9-38173-51.50000112.3K341 S349K341-S345 PolarHBondContact O-N 2.88Å; K341-S345 PolarHBondContact O-OG 2.85Å; S345-S349 PolarHBondContact O-N 3.45Å; S345-S349 VanDerWaalsContact O-N 3.15Å
346S58.8Low57.1Low57 Ų57118 Ų11840%0.39959%0.589SS.*Hα-helixtrans-72.6-28.4176.976.60000114T342 V343 E344T342-S346 WeakPolarHBondContact O-CB 3.06Å; T342-S346 PolarHBondContact O-N 2.92Å; T342-S346 PolarHBondContact O-OG 2.8Å; V343-S346 PolarHBondContact O-N 2.64Å; V343-S346 PolarHBondContact O-OG 3.19Å; E344-S346 VanDerWaalsContact C-N 3.26Å; E344-S346 PolarHBondContact O-N 2.94Å
347K59.2Low54.5Low135 Ų135117.3 Ų117.359%0.58759%0.593SS**Hα-helixtrans-76.6-40.2174.5-80.8-178.1177.7-179.10111.7V343 E344 S349 K350 Q351V343-K347 PolarHBondContact O-N 2.85Å; E344-K347 PolarHBondContact O-N 2.68Å; E344-K347 VanDerWaalsContact O-N 3.07Å; K347-S349 VanDerWaalsContact C-N 3.29Å; K347-S349 PolarHBondContact O-N 2.99Å; K347-K350 PolarHBondContact O-N 3.31Å; K347-Q351 PolarHBondContact O-N 3.24Å
348I56.3Low52.8Low128 Ų128115.8 Ų115.866%0.65660%0.603SS**Hα-helixtrans-62.1-39.1176.3-69.4157000110.4E344 K350 Q351E344-I348 WeakPolarHBondContact O-CD1 3.44Å; E344-I348 VanDerWaalsContact O-CG1 3.3Å; E344-I348 WeakPolarHBondContact O-CG1 3.43Å; E344-I348 PolarHBondContact O-N 3.4Å; I348-K350 PolarHBondContact O-N 3.25Å; I348-Q351 PolarHBondContact O-N 3.49Å
349S55Low50.4Low101 Ų101116.5 Ų116.571%0.70662%0.619SS**THydrogen-bonded Turntrans-67.6-14.3173.5-172.90000114.5S345 K347S345-S349 PolarHBondContact O-N 3.45Å; S345-S349 VanDerWaalsContact O-N 3.15Å; K347-S349 VanDerWaalsContact C-N 3.29Å; K347-S349 PolarHBondContact O-N 2.99Å
350K53.2Low48.3Very low186 Ų186123.9 Ų123.981%0.80966%0.658SS**THydrogen-bonded Turntrans-105.8-5.8-179.1-79.5-175176.9-1760114.5K347 I348K347-K350 PolarHBondContact O-N 3.31Å; I348-K350 PolarHBondContact O-N 3.25Å
351Q42.8Very low46.5Very low164 Ų164122 Ų12277%0.76667%0.666SS**  trans-109.339.7-179.4-81.6-172-20.800113.2K347 I348 P353K347-Q351 PolarHBondContact O-N 3.24Å; I348-Q351 PolarHBondContact O-N 3.49Å; Q351-P353 VanDerWaalsContact O-CD 3.22Å; Q351-P353 WeakPolarHBondContact O-CD 3.48Å
352Q35.3Very low45Very low181 Ų181127.5 Ų127.585%0.84669%0.69SS**  trans-93.2104.7163.7-158.1166.3-5.600108.3S354Q352-S354 PolarHBondContact O-N 3.35Å
353P39.7Very low43.4Very low94 Ų94128.5 Ų128.561%0.6171%0.711SS**  trans-69.8120.8175.327.2-31.1000109.4Q351 F355Q351-P353 VanDerWaalsContact O-CD 3.22Å; Q351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-F355 HydrophobicContact CG-CE2 4.46Å; P353-F355 PolarHBondContact O-N 3.44Å; P353-F355 VanDerWaalsContact O-N 3.11Å
354S32.9Very low42Very low112 Ų112130.6 Ų130.678%0.78373%0.733SS**  trans-62.1102.3167.747.90000110.2Q352Q352-S354 PolarHBondContact O-N 3.35Å
355F36.6Very low40.8Very low191 Ų191132.3 Ų132.384%0.83875%0.75SS**  trans-95.799155.9-75.1-78.4000108.3P353P353-F355 HydrophobicContact CG-CE2 4.46Å; P353-F355 PolarHBondContact O-N 3.44Å; P353-F355 VanDerWaalsContact O-N 3.11Å
356T33.9Very low39.7Very low128 Ų128134.8 Ų134.879%0.78576%0.762SS**  trans-141.6114.6161.148.30000109
357N32.1Very low39.1Very low158 Ų158137 Ų13785%0.84578%0.784SS**  trans-60.2149.6165.7-70-28.2000110.2
358P46.6Very low38.4Very low122 Ų122136.7 Ų136.779%0.79279%0.788SS**  trans-89.9128.9-179.833.9-28.2000110.6
359T29.4Very low38Very low144 Ų144134.5 Ų134.588%0.88379%0.785SS**  trans-134.4124.7152.8-330000110.3
360L32.4Very low37.6Very low156 Ų156136.5 Ų136.582%0.81779%0.787SS**  trans-65.1130-176.1174.474.9000113.9
361T30.1Very low37.4Very low137 Ų137133.8 Ų133.884%0.8478%0.781SS**  trans-161.898140.132.30000112.7
362K30.1Very low37.9Very low206 Ų206133.7 Ų133.790%0.89678%0.781SS**  45.3109.6125.1-145.8176.2-171.5-179.10120
363G27.9Very low38.4Very low74 Ų74131.7 Ų131.776%0.76377%0.771SS**  109.9111.7120.800000120.4
364A31Very low38.9Very low95 Ų95134.4 Ų134.479%0.78578%0.776SS**  trans77.7107139.500000121.8
365T35.7Very low39.8Very low131 Ų131132.4 Ų132.480%0.80477%0.766SS**  trans36.8121.4131.557.90000120.1
366V35.4Very low40.3Very low131 Ų131126 Ų12679%0.79475%0.748SS**  -157.6118.8117.5175.30000108D368V366-D368 HydrophobicContact CG1-CB 4.21Å
367A45.5Very low40.7Very low104 Ų104127.8 Ų127.886%0.8675%0.746SS**  trans-89.9101.8159.200000106.4
368D45Very low41.3Very low127 Ų127128 Ų12868%0.67974%0.741SS**  trans178.1114.3159.4-127.9-9.6000107.6V366V366-D368 HydrophobicContact CG1-CB 4.21Å
369S47.7Very low41.4Very low82 Ų82126 Ų12657%0.57373%0.73SS**  trans166.550.5163.143.50000111.3
370L45.5Very low42.3Very low144 Ų144124.4 Ų124.475%0.75472%0.72SS**SBendtrans-116.1-16.9162.6-88.3166.5000113.1
371D50.6Low42.8Very low129 Ų129125.7 Ų125.769%0.6972%0.72SS**SBendtrans-87.7-12178.1-61.8-35.3000113.7
372E52.8Low43.6Very low162 Ų162125.1 Ų125.176%0.75772%0.716SS**THydrogen-bonded Turntrans-92.5-13.6-178.5-145173.7-171.600113.5
373Q45.8Very low44.3Very low139 Ų139123.6 Ų123.665%0.6571%0.712SS**THydrogen-bonded Turntrans-90.9-16.1176.3-73.3-175.242.700113.4
374E49.8Very low44.9Very low150 Ų150126.6 Ų126.670%0.70172%0.715SS**THydrogen-bonded Turntrans-85-32.3178.9-147.4170.8-170.400111.9A376 F377E374-A376 VanDerWaalsContact C-N 3.34Å; E374-A376 PolarHBondContact O-N 3.43Å; E374-F377 PolarHBondContact O-N 2.88Å
375A51.3Low45.5Very low70 Ų70129.3 Ų129.358%0.57972%0.716SS**Hα-helixtrans-72.5-22.5176.400000114.2
376A48Very low45.5Very low56 Ų56132.7 Ų132.746%0.46372%0.72SS.*Hα-helixtrans-79.7-18.2178.200000113.2E374 S379E374-A376 VanDerWaalsContact C-N 3.34Å; E374-A376 PolarHBondContact O-N 3.43Å; A376-S379 PolarHBondContact O-OG 2.89Å
377F41.9Very low45.9Very low167 Ų167132 Ų13273%0.73272%0.716SS**Hα-helixtrans-89.9-26.8179.6-100.5-90000113.6E374E374-F377 PolarHBondContact O-N 2.88Å
378E45.8Very low45.5Very low162 Ų162133 Ų13376%0.75771%0.713SS**Hα-helixtrans-78.3-26.3174.9-85-151.2147.400113.8V380 F381E378-V380 VanDerWaalsContact C-N 3.27Å; E378-V380 PolarHBondContact O-N 2.73Å; E378-F381 PolarHBondContact O-N 2.99Å
379S48.7Very low45.2Very low80 Ų80133.5 Ų133.556%0.55972%0.721SS**THydrogen-bonded Turntrans-75.1-12.7-178.955.90000114.3A376A376-S379 PolarHBondContact O-OG 2.89Å
380V47.6Very low44.6Very low111 Ų111133.8 Ų133.867%0.67373%0.729SS**THydrogen-bonded Turntrans-88.4-15.9178177.80000112.5E378E378-V380 VanDerWaalsContact C-N 3.27Å; E378-V380 PolarHBondContact O-N 2.73Å
381F43Very low44.6Very low183 Ų183132.2 Ų132.280%0.80373%0.727SS**SBendtrans-101.41.6-174.1-99.3-85.8000115.9E378E378-F381 PolarHBondContact O-N 2.99Å
382V47.6Very low43.7Very low125 Ų125133.4 Ų133.476%0.75873%0.733SS**SBendtrans-106.1-8.8179.6178.60000113.6T384V382-T384 PolarHBondContact O-N 2.96Å
383E44.1Very low42.9Very low174 Ų174129.7 Ų129.781%0.81373%0.725SS**  trans-10048.1-172.8-157.8159.3-163.300114.7
384T41.3Very low42.4Very low137 Ų137129.7 Ų129.784%0.8474%0.735SS**SBendtrans-143.555.7158.864.60000111.9V382V382-T384 PolarHBondContact O-N 2.96Å
385N43.3Very low41.5Very low151 Ų151125.9 Ų125.981%0.80774%0.736SS**  trans-152.583.5154.4-139.50.2000111.1
386K35.3Very low40.7Very low203 Ų203131.7 Ų131.788%0.88375%0.748SS**  trans-141.5102.8165.3-153.1173-174.6179.10109.9
387V43.3Very low40.1Very low115 Ų115135.6 Ų135.670%0.69776%0.761SS**  trans-57.2132.8167.8176.20000109V389V387-V389 PolarHBondContact O-N 3.28Å
388P38Very low39.6Very low125 Ų125131 Ų13181%0.81276%0.76SS**  trans-86112.3170.216.6-1.9000109.6
389V37.2Very low39.2Very low138 Ų138130.6 Ų130.684%0.83676%0.758SS**  trans-89.4127.6156.91730000106.8V387V387-V389 PolarHBondContact O-N 3.28Å
390A36.2Very low38.8Very low89 Ų89133.8 Ų133.874%0.73676%0.762SS**  trans-119.7149.9165.700000110
391P46.1Very low38.6Very low111 Ų111135.7 Ų135.772%0.72176%0.764SS**  trans-108.5177.1-162.739.9-29.5000114.6
392D31.4Very low38.5Very low153 Ų153133.4 Ų133.482%0.81876%0.76SS**  trans77.5141.9163.1-80.1-12000118.4
393S36.3Very low38.1Very low84 Ų84139.5 Ų139.559%0.58779%0.787SS**  cis-173.4153.7-5.850.30000109.4
394T35.1Very low37.8Very low140 Ų140137.8 Ų137.886%0.85979%0.786SS**  trans66.5120.3146.350.70000122.4
395G30.6Very low37.7Very low70 Ų70137.8 Ų137.872%0.72278%0.783SS**  147.7104.5124.200000116.9
396K34.8Very low37.3Very low191 Ų191137.1 Ų137.183%0.8378%0.781SS**  trans52.9142.2134.9-76.8-176.2164-175.70119
397D33.8Very low37.5Very low139 Ų139133.2 Ų133.274%0.74378%0.775SS**  cis-171.6165.516.6-98.1-33.4000106.6
398G33Very low37.1Very low69 Ų69134.3 Ų134.371%0.71178%0.78SS**  trans98.7106.2152.300000115.8
399E37.4Very low37Very low154 Ų154134.9 Ų134.972%0.7278%0.778SS**  97.6115.964.7-170.7175.3169.500112.7
400K40Very low37Very low148 Ų148134.7 Ų134.764%0.64377%0.774SS**  trans69.3125.6147.9-76.4175.7-172.1155.60123.8
401Q42.2Very low37.1Very low150 Ų150138.2 Ų138.270%0.70178%0.777SS**  71.3117.9121.9-70.7177.9-29.800121.4
402D40.6Very low36.3Very low135 Ų135140.5 Ų140.572%0.72278%0.782SS**  63.4134.4125.3-55.8-28.2000121.3
403L41Very low36.8Very low253 Ų253139.4 Ų139.4100%1.32578%0.779SS**  trans84.40165.3-71.7154.1000118.3

Retrieved 403 of 403 residues in 786.3 ms (Link to these results)