X2JCY5_DROME Loading...

Cypher, isoform D

AlphaFold DB , UniProt , Accession X2JCY5, Species DROME (Drosophila melanogaster, Fruit fly), Gene cyr, Length 454 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
1M29.2Very low29.7Very low230 Ų230127.9 Ų127.9100%1.13383%0.832SS**  0145.10-78.8171.4163.200108.2
2F26Very low30.1Very low194 Ų194126.4 Ų126.485%0.85183%0.827SS**  trans15.1144.9156.3-58.9-77.1000120.5
3S26.9Very low30.7Very low92 Ų92131.2 Ų131.264%0.64383%0.826SS**  cis-166168.16.8-128.10000112
4S30.5Very low31.1Very low107 Ų107130.4 Ų130.475%0.74881%0.813SS**  trans9.4146141.8-46.50000119.6
5S29.1Very low32Very low124 Ų124130.8 Ų130.887%0.86781%0.807SS**  -168.2174.451.849.30000113.5
6A31.9Very low32.8Very low102 Ų102126.6 Ų126.684%0.84380%0.797SS**  trans-95.8160.5-167.500000115.2
7S27.2Very low33.8Very low122 Ų122127.9 Ų127.985%0.85379%0.791SS**  trans-138.8144.6151.464.20000110.3
8A28.3Very low34.5Very low107 Ų107127.1 Ų127.188%0.88478%0.78SS**  trans-100.5137.8-172.900000111.6
9A31.1Very low35.1Very low94 Ų94127 Ų12778%0.77777%0.774SS**  trans-114.4114167.600000109.6T11A9-T11 PolarHBondContact O-N 3.39Å
10S29.7Very low35.6Very low125 Ų125124.7 Ų124.787%0.87476%0.761SS**  trans-81.3107.6-179.652.40000111.5
11T37.3Very low36Very low110 Ų110123.5 Ų123.568%0.67575%0.75SS**  trans-108.9122.9165.748.10000110.4A9 F13A9-T11 PolarHBondContact O-N 3.39Å; T11-F13 PolarHBondContact O-N 3.42Å; T11-F13 VanDerWaalsContact O-N 3.1Å
12S34.7Very low36.7Very low110 Ų110115.9 Ų115.977%0.76972%0.723SS**  trans-76.591-177.535.80000111.5N14S12-N14 PolarHBondContact O-N 3.1Å; S12-N14 VanDerWaalsContact O-N 3.15Å
13F37.3Very low37.7Very low188 Ų188111.6 Ų111.683%0.82571%0.708SS**  trans-66.6111.6173.9-89.8-93.3000111.8T11 L15T11-F13 PolarHBondContact O-N 3.42Å; T11-F13 VanDerWaalsContact O-N 3.1Å; F13-L15 PolarHBondContact O-N 2.89Å
14N36.1Very low38.5Very low120 Ų120109.4 Ų109.464%0.64270%0.696SS**  trans-75.4110.7179.3-93.5-67.4000111.7S12 G16 Q17S12-N14 PolarHBondContact O-N 3.1Å; S12-N14 VanDerWaalsContact O-N 3.15Å; N14-G16 PolarHBondContact O-N 3.4Å; N14-Q17 PolarHBondContact O-N 3.44Å
15L44.3Very low39.4Very low137 Ų137109.9 Ų109.972%0.71769%0.689SS**G310 helixtrans-64-12.5179.7-155.969.7000113.8F13F13-L15 PolarHBondContact O-N 2.89Å
16G45.9Very low40Very low63 Ų63105.9 Ų105.965%0.64967%0.667SS**G310 helixtrans-74.5-18.4179.200000115.6N14N14-G16 PolarHBondContact O-N 3.4Å
17Q49.2Very low40.9Very low150 Ų150105.8 Ų105.870%0.70166%0.656SS**G310 helixtrans-92.6-9.6-177.7-87176.2-38.600114.8N14N14-Q17 PolarHBondContact O-N 3.44Å
18L45.8Very low41.6Very low112 Ų112106.8 Ų106.859%0.58665%0.651SS**Hα-helixtrans-85.4-20.7178-78.1164.1000113.7L21 A22L18-L21 PolarHBondContact O-N 3.4Å; L18-A22 PolarHBondContact O-N 3.36Å
19L46.6Very low42.2Very low126 Ų126109.2 Ų109.266%0.6664%0.644SS**Hα-helixtrans-64.3-47.3179.4-151.474.1000113.8L21 I23L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å; L19-I23 WeakPolarHBondContact O-CD1 3.33Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.49Å
20P45.4Very low42.5Very low81 Ų81111.1 Ų111.153%0.52664%0.64SS.*Hα-helixtrans-70.2-24.8176.528.3-35.3000113A24P20-A24 WeakPolarHBondContact O-CB 3.46Å; P20-A24 PolarHBondContact O-N 3.22Å
21L43.4Very low42.9Very low100 Ų100110.3 Ų110.352%0.52463%0.632SS.*Hα-helixtrans-77.5-38.1-179-125.2157.3000112L18 L19 I23 A24 I25L18-L21 PolarHBondContact O-N 3.4Å; L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-A24 PolarHBondContact O-N 3.11Å; L21-I25 HydrophobicContact CD2-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.15Å; L21-I25 VanDerWaalsContact O-N 3.15Å
22A45Very low43.2Very low69 Ų69112.6 Ų112.657%0.5764%0.635SS**Hα-helixtrans-65.1-37.2169.900000112.3L18 G26L18-A22 PolarHBondContact O-N 3.36Å; A22-G26 PolarHBondContact O-N 3.27Å; A22-G26 VanDerWaalsContact O-N 3.11Å
23I46.5Very low43.3Very low104 Ų104116.5 Ų116.553%0.53364%0.638SS.*Hα-helixtrans-68.8-43175-66.5167.8000110.8L19 L21 I25 G26 V27L19-I23 WeakPolarHBondContact O-CD1 3.33Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.49Å; L21-I23 VanDerWaalsContact C-N 3.34Å; I23-I25 PolarHBondContact O-N 2.9Å; I23-G26 PolarHBondContact O-N 3.05Å; I23-V27 HydrophobicContact CG2-CG2 4.12Å; I23-V27 WeakPolarHBondContact O-CB 3.41Å; I23-V27 VanDerWaalsContact O-CG2 3.29Å; I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.32Å
24A44.3Very low43.1Very low47 Ų47114.7 Ų114.739%0.38864%0.637SS.*Hα-helixtrans-61-42.6178.700000112.9P20 L21 V27 L28P20-A24 WeakPolarHBondContact O-CB 3.46Å; P20-A24 PolarHBondContact O-N 3.22Å; L21-A24 PolarHBondContact O-N 3.11Å; A24-V27 PolarHBondContact O-N 3.44Å; A24-L28 WeakPolarHBondContact O-CD1 3.47Å; A24-L28 PolarHBondContact O-N 3.15Å; A24-L28 VanDerWaalsContact O-N 3.1Å
25I48.3Very low43Very low116 Ų116114.8 Ų114.860%0.59565%0.645SS**Hα-helixtrans-69.5-35.9177-63.5168.7000111.1L21 I23L21-I25 HydrophobicContact CD2-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.15Å; L21-I25 VanDerWaalsContact O-N 3.15Å; I23-I25 PolarHBondContact O-N 2.9Å
26G42.8Very low42.6Very low41 Ų41117.2 Ų117.242%0.42365%0.653SS.*Hα-helixtrans-67.3-33.3174.100000114.1A22 I23A22-G26 PolarHBondContact O-N 3.27Å; A22-G26 VanDerWaalsContact O-N 3.11Å; I23-G26 PolarHBondContact O-N 3.05Å
27V49.1Very low41.9Very low99 Ų99118.2 Ų118.260%0.665%0.654SS**Hα-helixtrans-85.2-33.8-176.7172.20000112.7I23 A24 H29I23-V27 HydrophobicContact CG2-CG2 4.12Å; I23-V27 WeakPolarHBondContact O-CB 3.41Å; I23-V27 VanDerWaalsContact O-CG2 3.29Å; I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.32Å; A24-V27 PolarHBondContact O-N 3.44Å; V27-H29 PolarHBondContact O-N 3.05Å
28L41.9Very low40.9Very low143 Ų143115.2 Ų115.275%0.74966%0.656SS**Hα-helixtrans-74-18.2-179.4-96.291.8000115.3A24A24-L28 WeakPolarHBondContact O-CD1 3.47Å; A24-L28 PolarHBondContact O-N 3.15Å; A24-L28 VanDerWaalsContact O-N 3.1Å
29H42.5Very low40.2Very low159 Ų159121.5 Ų121.574%0.73667%0.672SS**THydrogen-bonded Turntrans-102.110.4178.2-97.3-71.4000114.8V27 P31V27-H29 PolarHBondContact O-N 3.05Å; H29-P31 WeakPolarHBondContact O-CD 3.32Å
30L36.1Very low39.3Very low134 Ų134121.8 Ų121.870%0.70268%0.679SS**  trans-878.9-176.1-130.680.3000119.4Q32L30-Q32 PolarHBondContact O-N 3.1Å
31P39.4Very low38.7Very low108 Ų108124.4 Ų124.470%0.70169%0.693SS**SBendtrans-94.424.3178.938.9-35.9000114.7H29H29-P31 WeakPolarHBondContact O-CD 3.32Å
32Q43.1Very low38Very low158 Ų158131.3 Ų131.374%0.73871%0.712SS**SBendtrans-121.5-3.4-179.5-71-161.9-15.900116.7L30L30-Q32 PolarHBondContact O-N 3.1Å
33F35.9Very low37.5Very low192 Ų192133.7 Ų133.784%0.84272%0.72SS**  trans-136.460.1178.8-66.3-75.7000113
34L34.5Very low36.9Very low150 Ų150134.9 Ų134.979%0.78573%0.734SS**  trans-99.697.7163.9-92.2157.6000109.4
35C33Very low36.3Very low122 Ų122141.1 Ų141.182%0.82476%0.756SS**  trans-109.6115.7163.5-74.60000108.4A37C35-A37 PolarHBondContact O-N 3.39Å; C35-A37 VanDerWaalsContact O-N 3.15Å
36H35.4Very low35.6Very low188 Ų188140.4 Ų140.487%0.8776%0.761SS**  trans-66.8109.8174-79.1-87000110.4
37A31.8Very low34.9Very low83 Ų83148.3 Ų148.369%0.68678%0.784SS**  trans-92.492.3161.900000108.8C35 W39C35-A37 PolarHBondContact O-N 3.39Å; C35-A37 VanDerWaalsContact O-N 3.15Å; A37-W39 PolarHBondContact O-N 3.23Å
38A29Very low34.1Very low88 Ų88150.2 Ų150.273%0.72779%0.789SS**  trans-77.4106.9169.800000109.3T40A38-T40 PolarHBondContact O-N 3.34Å
39W29.6Very low33.7Very low244 Ų244149.9 Ų149.992%0.92479%0.789SS**  trans-80.5102.1170.6-72.5-20.2000110.3A37 T41A37-W39 PolarHBondContact O-N 3.23Å; W39-T41 PolarHBondContact O-N 3.31Å
40T27.7Very low33Very low132 Ų132150 Ų15081%0.8180%0.795SS**  trans-84.996.2166.557.10000109.4A38 R42A38-T40 PolarHBondContact O-N 3.34Å; T40-R42 PolarHBondContact O-N 3.02Å
41T33.9Very low32.7Very low136 Ų136148.8 Ų148.883%0.83479%0.793SS**  trans-65.5127.1163.340.20000109.2W39W39-T41 PolarHBondContact O-N 3.31Å
42R28.9Very low32.3Very low244 Ų244150.5 Ų150.592%0.92180%0.801SS**  trans-125.1115.2165.4-112-173-171.2-170.13.3109.9T40T40-R42 PolarHBondContact O-N 3.02Å
43T34.6Very low31.8Very low120 Ų120149 Ų14974%0.73680%0.803SS**PPolyproline II helixtrans-66.9142.4166.943.90000110.2E45T43-E45 PolarHBondContact O-N 2.83Å
44P33.3Very low31.5Very low128 Ų128146.2 Ų146.283%0.83180%0.802SS**PPolyproline II helixtrans-78.7116.4165.730.9-29.5000109.3
45E31.7Very low31.2Very low179 Ų179145.4 Ų145.484%0.83680%0.803SS**PPolyproline II helixtrans-74137.4167.5-78.2-176.7132.800110.5T43T43-E45 PolarHBondContact O-N 2.83Å
46S33.5Very low30.9Very low101 Ų101145.4 Ų145.471%0.70680%0.8SS**PPolyproline II helixtrans-80.5126.2172.753.10000110.9
47F28.4Very low30.6Very low207 Ų207142.9 Ų142.991%0.90880%0.798SS**  trans-134.3139.6152.5-99.9-84000110.4
48I32.8Very low30.5Very low138 Ų138144.7 Ų144.771%0.70880%0.801SS**  trans-115.9142.9-170-76.6174.7000108.8
49N32.2Very low30.6Very low137 Ų137146.8 Ų146.873%0.73380%0.804SS**  trans62.6120.1169.9-65-6.7000117.4
50D27.8Very low30.6Very low161 Ų161139.9 Ų139.986%0.86179%0.79SS**  -145.3161.388.2-133.8-24.4000113.5
51T30.8Very low31.3Very low109 Ų109139.9 Ų139.967%0.66979%0.79SS**  trans-107.1111.8-160.1-52.30000112.7
52T30.9Very low31.6Very low143 Ų143138.5 Ų138.588%0.87778%0.781SS**  trans-151.9135.8154.7-32.20000113.3
53T31.2Very low32.7Very low127 Ų127132.6 Ų132.678%0.77977%0.772SS**  trans-76.5120.9-169.5-46.50000113.7
54T29.9Very low34.3Very low134 Ų134132 Ų13282%0.82276%0.76SS**  trans-152.7136.1148.2-52.60000110.5T56T54-T56 PolarHBondContact O-N 3.15Å
55T29.5Very low36.5Very low132 Ų132130.1 Ų130.181%0.8175%0.746SS**  trans-66.4120.2-166.9-40.30000113.7
56T26.9Very low39.1Very low122 Ų122124.3 Ų124.375%0.74872%0.719SS**  trans-75.8122.6171.130.90000112.1T54T54-T56 PolarHBondContact O-N 3.15Å
57T29Very low41.8Very low136 Ų136124 Ų12483%0.83471%0.707SS**  trans-110.7105.1144.73.60000108.1T59T57-T59 PolarHBondContact O-N 3.33Å
58T29.2Very low44.9Very low120 Ų120116.4 Ų116.474%0.73668%0.675SS**  trans-64.698.9-178.1-130000110T60T58-T60 PolarHBondContact O-N 3.46Å
59T30.3Very low47.8Very low132 Ų132115.2 Ų115.281%0.8167%0.667SS**  trans-72.381.8163.647.20000108.6T57 T61T57-T59 PolarHBondContact O-N 3.33Å; T59-T61 PolarHBondContact O-N 2.83Å
60T31Very low50.6Low100 Ų100110.4 Ų110.461%0.61365%0.646SS**  trans-57.4112.9159.350.40000106.9T58 T62T58-T60 PolarHBondContact O-N 3.46Å; T60-T62 PolarHBondContact O-N 3.45Å; T60-T62 PolarHBondContact O-OG1 3.49Å
61T41Very low53.7Low132 Ų132106 Ų10681%0.8162%0.621SS**  trans-72.462.2166.946.80000109.1T59 T63T59-T61 PolarHBondContact O-N 2.83Å; T61-T63 PolarHBondContact O-N 3.25Å
62T41.2Very low56.8Low107 Ų107107.3 Ų107.366%0.65662%0.619SS**  trans-51.5122.5154.434.40000106.1T60 K64T60-T62 PolarHBondContact O-N 3.45Å; T60-T62 PolarHBondContact O-OG1 3.49Å; T62-K64 PolarHBondContact O-N 3.44Å
63T51.1Low59.9Low120 Ų120102.5 Ų102.574%0.73659%0.59SS**  trans-7266.6177.736.90000109.2T61 T65T61-T63 PolarHBondContact O-N 3.25Å; T63-T65 PolarHBondContact O-N 3Å
64K67.8Low62.9Low108 Ų108101.3 Ų101.347%0.4758%0.579SS.*  trans-48.5105.5-175.8-173.3174.2-173173.60109.1T62 R88T62-K64 PolarHBondContact O-N 3.44Å; K64-R88 PolarHBondContact O-NE 3.35Å; K64-R88 PolarHBondContact O-NH2 3.45Å
65T80.8Confident65.8Low88 Ų8895.6 Ų95.654%0.5454%0.544SS..  trans-61.8157.8-171.148.40000110.3T63 Q67 S87T63-T65 PolarHBondContact O-N 3Å; T65-Q67 PolarHBondContact O-N 3.06Å; T65-Q67 VanDerWaalsContact O-N 3.14Å; T65-S87 PolarHBondContact O-OG 3.09Å
66M86.2Confident68.7Low56 Ų5691.8 Ų91.828%0.27652%0.522SS..  trans-56.4121.6173.2-74-65-170.900108.9R88 P89 K144 I154M66-R88 HydrophobicContact CE-CB 3.83Å; M66-R88 HydrophobicContact CE-CG 4.5Å; M66-R88 HydrophobicContact SD-CB 3.76Å; M66-R88 HydrophobicContact SD-CG 4.18Å; M66-P89 WeakPolarHBondContact CE-O 3.44Å; M66-K144 HydrophobicContact CB-CD 4.36Å; M66-I154 WeakPolarHBondContact O-CD1 3.36Å
67Q90.6Very high71.3Confident95 Ų9591.9 Ų91.944%0.44451%0.509SS..  trans-141.8149-176.5-74.2176-10.400109.2T65 L86 S87T65-Q67 PolarHBondContact O-N 3.06Å; T65-Q67 VanDerWaalsContact O-N 3.14Å; Q67-L86 WeakPolarHBondContact O-CA 3.4Å; Q67-S87 PolarHBondContact N-OG 3.29Å; Q67-S87 PolarHBondContact O-N 3.39Å; Q67-S87 PolarHBondContact O-OG 3.1Å
68I92.6Very high73.8Confident47 Ų4791.6 Ų91.624%0.24150%0.498CS..EExtended strand (participates in β ladder)trans-80.4119.6169-55.2169.9000106.8A70 M71 L84 L86 L142 I154I68-A70 WeakPolarHBondContact CG2-O 3.43Å; I68-M71 HydrophobicContact CG2-CB 4.3Å; I68-L84 HydrophobicContact CD1-CD2 4.07Å; I68-L84 HydrophobicContact CG1-CD2 4.43Å; I68-L84 HydrophobicContact CG2-CD2 4.48Å; I68-L86 HydrophobicContact CB-CD2 4.34Å; I68-L86 HydrophobicContact CG1-CD2 3.8Å; I68-L142 HydrophobicContact CG1-CD2 4.17Å; I68-I154 HydrophobicContact CD1-CG2 4Å
69Q93.4Very high76.7Confident114 Ų11489 Ų8953%0.53348%0.48SS..EExtended strand (participates in β ladder)trans-87.8-42.9178.1-67.9-170.4-12.200111.6E85Q69-E85 PolarHBondContact N-O 3.06Å
70A92.6Very high79.7Confident36 Ų3682.8 Ų82.830%0.29844%0.441SS..EExtended strand (participates in β ladder)trans-140.8148.717600000110.4I68 E85I68-A70 WeakPolarHBondContact CG2-O 3.43Å; A70-E85 HydrophobicContact CB-CB 4.22Å; A70-E85 PolarHBondContact N-O 2.94Å; A70-E85 PolarHBondContact O-N 2.85Å
71M92.8Very high82.8Confident68 Ų6880.2 Ų80.234%0.33542%0.423SS..EExtended strand (participates in β ladder)trans-138106.3175-176.6170.471.600107.8I68 V73 L84 V158I68-M71 HydrophobicContact CG2-CB 4.3Å; M71-V73 HydrophobicContact CG-CG2 4.1Å; M71-L84 HydrophobicContact CG-CD1 4.19Å; M71-L84 HydrophobicContact CG-CG 4.13Å; M71-V158 HydrophobicContact CE-CB 4.48Å; M71-V158 HydrophobicContact CE-CG1 4.25Å; M71-V158 HydrophobicContact CE-CG2 4.15Å; M71-V158 HydrophobicContact SD-CG1 4.41Å; M71-V158 HydrophobicContact SD-CG2 3.86Å
72Q95.1Very high85.3Confident137 Ų13774 Ų7464%0.6438%0.384SS*.EExtended strand (participates in β ladder)trans-97.7136.2173.2-63.2176.55.900108.2M82 H83Q72-M82 CarbonylContact O-C 3.49Å; Q72-M82 WeakPolarHBondContact O-CA 3.4Å; Q72-H83 HydrophobicContact CB-CB 4.37Å; Q72-H83 PolarHBondContact N-O 3.36Å; Q72-H83 PolarHBondContact O-N 3.47Å
73V95Very high87.9Confident42 Ų4273 Ų7326%0.25537%0.372SS..EExtended strand (participates in β ladder)trans-131.8128.9-175.9-166.40000107.9M71 L80 E81 V158 C160M71-V73 HydrophobicContact CG-CG2 4.1Å; V73-L80 HydrophobicContact CG1-CD1 4.44Å; V73-L80 HydrophobicContact CG1-CD2 3.76Å; V73-L80 HydrophobicContact CG1-CG 4.01Å; V73-E81 WeakPolarHBondContact CA-O 3.37Å; V73-V158 HydrophobicContact CB-CG1 4.26Å; V73-V158 HydrophobicContact CG1-CG1 3.82Å; V73-V158 HydrophobicContact CG2-CG1 3.42Å; V73-V158 VanDerWaalsContact CG2-CG1 3.42Å; V73-C160 HydrophobicContact CG1-CB 3.77Å
74N94.3Very high90Very high102 Ų10267.4 Ų67.455%0.54534%0.337SS..EExtended strand (participates in β ladder)trans-123.2121.8173.7-172.813.1000108E81N74-E81 PolarHBondContact N-O 2.99Å; N74-E81 PolarHBondContact O-N 3.02Å
75C92.1Very high91.3Very high13 Ų1365 Ų659%0.08833%0.328CS..EExtended strand (participates in β ladder)trans-113134.8176.646.70000110.5L80 Y136 C160 L162C75-L80 HydrophobicContact CB-CD1 4.44Å; C75-L80 HydrophobicContact CB-CG 4.36Å; C75-Y136 HydrophobicContact CB-CD2 3.93Å; C75-Y136 HydrophobicContact CB-CE2 4.45Å; C75-C160 HydrophobicContact CB-CB 3.73Å; C75-C160 WeakPolarHBondContact CB-SG 3.04Å; C75-C160 PolarHBondContact N-SG 3.08Å; C75-C160 VanDerWaalsContact SG-C 3.56Å; C75-C160 WeakPolarHBondContact SG-CB 3.35Å; C75-C160 CovalentContact SG-SG 2.04Å; C75-C160 PolarHBondContact SG-SG 3.14Å; C75-L162 WeakPolarHBondContact O-CD1 2.97Å
76S89.3Confident92Very high52 Ų5261 Ų6136%0.36430%0.304SS..  trans-110.7-176.7167.8670000109E78 L79S76-E78 PolarHBondContact O-N 3.33Å; S76-E78 PolarHBondContact OG-N 3.5Å; S76-L79 PolarHBondContact N-O 3.27Å; S76-L79 PolarHBondContact OG-N 2.94Å; S76-L79 PolarHBondContact OG-O 3.47Å
77R81.3Confident92.3Very high124 Ų12459.4 Ų59.447%0.46830%0.298SS..SBendtrans-59.6-33.7172-177.8-178.4178.1-156.72.7113.3T119R77-T119 PolarHBondContact O-OG1 3.37Å
78E83.1Confident92.4Very high130 Ų13060.1 Ų60.161%0.60730%0.296SS*.SBendtrans-114-29.6-166.2-67.2173.8-168.400113.6S76 P118 T119S76-E78 PolarHBondContact O-N 3.33Å; S76-E78 PolarHBondContact OG-N 3.5Å; E78-P118 WeakPolarHBondContact O-CA 3.44Å; E78-T119 VanDerWaalsContact C-OG1 3.29Å; E78-T119 VanDerWaalsContact CA-OG1 3.32Å; E78-T119 WeakPolarHBondContact CA-OG1 3.48Å; E78-T119 PolarHBondContact O-N 3.01Å; E78-T119 PolarHBondContact O-OG1 3.48Å
79L90.5Very high92.5Very high67 Ų6761.7 Ų61.735%0.35131%0.31SS..EExtended strand (participates in β ladder)trans-133.6143.6179.8-67102.8000112.6S76 R116S76-L79 PolarHBondContact N-O 3.27Å; S76-L79 PolarHBondContact OG-N 2.94Å; S76-L79 PolarHBondContact OG-O 3.47Å; L79-R116 HydrophobicContact CD2-CB 4.38Å
80L93.1Very high92.5Very high0 Ų056.5 Ų56.50%029%0.285CS..EExtended strand (participates in β ladder)trans-107.8111.3165.2-171.1152.9000108V73 C75 M82 I117 V138 C160V73-L80 HydrophobicContact CG1-CD1 4.44Å; V73-L80 HydrophobicContact CG1-CD2 3.76Å; V73-L80 HydrophobicContact CG1-CG 4.01Å; C75-L80 HydrophobicContact CB-CD1 4.44Å; C75-L80 HydrophobicContact CB-CG 4.36Å; L80-M82 HydrophobicContact CD2-CE 3.48Å; L80-M82 VanDerWaalsContact CD2-CE 3.48Å; L80-I117 PolarHBondContact N-O 3.29Å; L80-I117 PolarHBondContact O-N 2.89Å; L80-V138 HydrophobicContact CD1-CG1 4.31Å; L80-V138 HydrophobicContact CD2-CG1 4.33Å; L80-C160 HydrophobicContact CD1-CB 4.14Å
81E94.9Very high92.5Very high47 Ų4762.3 Ų62.322%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-96.6131174.7-61.6-161.1130.400109.4V73 N74 H114 R116V73-E81 WeakPolarHBondContact CA-O 3.37Å; N74-E81 PolarHBondContact N-O 2.99Å; N74-E81 PolarHBondContact O-N 3.02Å; E81-H114 IonicContact OE1-CE1 2.69Å; E81-H114 IonicContact OE1-NE2 3.9Å; E81-R116 HydrophobicContact CG-CG 4.33Å; E81-R116 IonicContact OE1-CZ 2.74Å; E81-R116 IonicContact OE1-NE 3.12Å; E81-R116 PolarHBondContact OE1-NE 2.9Å; E81-R116 IonicContact OE1-NH2 2.82Å; E81-R116 PolarHBondContact OE1-NH2 3.18Å
82M94.8Very high92.5Very high0 Ų059 Ų590%028%0.284CS..EExtended strand (participates in β ladder)trans-126.3130.3174.965.6-175.270.300111.4Q72 L80 L84 L94 H114 L115 I117 V138 V140 V158Q72-M82 CarbonylContact O-C 3.49Å; Q72-M82 WeakPolarHBondContact O-CA 3.4Å; L80-M82 HydrophobicContact CD2-CE 3.48Å; L80-M82 VanDerWaalsContact CD2-CE 3.48Å; M82-L84 HydrophobicContact CB-CD1 3.91Å; M82-L84 HydrophobicContact CG-CD1 3.65Å; M82-L84 HydrophobicContact SD-CD1 3.92Å; M82-L94 HydrophobicContact SD-CD2 4.47Å; M82-H114 VanDerWaalsContact O-CA 3.32Å; M82-H114 WeakPolarHBondContact O-CA 3.3Å; M82-H114 PolarHBondContact O-CD2 3.29Å; M82-L115 HydrophobicContact CE-CD2 4.4Å; M82-L115 HydrophobicContact CG-CB 3.74Å; M82-L115 HydrophobicContact CG-CG 4.46Å; M82-L115 WeakPolarHBondContact CG-O 3.43Å; M82-L115 PolarHBondContact N-O 2.91Å; M82-L115 PolarHBondContact O-N 2.72Å; M82-L115 HydrophobicContact SD-CB 4.05Å; M82-L115 HydrophobicContact SD-CD2 3.97Å; M82-L115 HydrophobicContact SD-CG 4.31Å; M82-I117 HydrophobicContact CE-CD1 3.41Å; M82-I117 VanDerWaalsContact CE-CD1 3.41Å; M82-I117 HydrophobicContact CE-CG1 4.09Å; M82-V138 HydrophobicContact CE-CG1 4.3Å; M82-V140 HydrophobicContact CE-CG1 3.82Å; M82-V140 HydrophobicContact SD-CG1 3.91Å; M82-V140 HydrophobicContact SD-CG2 4.46Å; M82-V158 HydrophobicContact CE-CG2 4.27Å; M82-V158 HydrophobicContact SD-CG2 4.46Å
83H95.8Very high92.4Very high86 Ų8654 Ų5440%0.39826%0.26SS..EExtended strand (participates in β ladder)trans-110.1112.4174.6-57.4-92.9000108.4Q72 H114Q72-H83 HydrophobicContact CB-CB 4.37Å; Q72-H83 PolarHBondContact N-O 3.36Å; Q72-H83 PolarHBondContact O-N 3.47Å; H83-H114 AromaticContact CE1-CD2 3.26Å; H83-H114 PolarHBondContact CE1-CD2 2.89Å; H83-H114 AromaticContact CE1-NE2 3.65Å; H83-H114 AromaticContact CG-CD2 3.9Å; H83-H114 AromaticContact ND1-CD2 3.4Å; H83-H114 PolarHBondContact ND1-CD2 3.46Å; H83-H114 AromaticContact NE2-CD2 3.69Å; H83-H114 AromaticContact NE2-NE2 3.84Å
84L94.3Very high92.4Very high3 Ų352 Ų522%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-104133.9178.1-76.673.9000109.4I68 M71 M82 L94 R112 L113I68-L84 HydrophobicContact CD1-CD2 4.07Å; I68-L84 HydrophobicContact CG1-CD2 4.43Å; I68-L84 HydrophobicContact CG2-CD2 4.48Å; M71-L84 HydrophobicContact CG-CD1 4.19Å; M71-L84 HydrophobicContact CG-CG 4.13Å; M82-L84 HydrophobicContact CB-CD1 3.91Å; M82-L84 HydrophobicContact CG-CD1 3.65Å; M82-L84 HydrophobicContact SD-CD1 3.92Å; L84-L94 HydrophobicContact CD1-CD2 3.92Å; L84-L94 HydrophobicContact CD2-CD1 4.08Å; L84-L94 HydrophobicContact CD2-CD2 3.95Å; L84-L94 HydrophobicContact CG-CD2 4.46Å; L84-R112 WeakPolarHBondContact O-CA 3.44Å; L84-L113 PolarHBondContact N-O 3.45Å; L84-L113 PolarHBondContact O-N 2.93Å
85E95.4Very high92.5Very high59 Ų5948.1 Ų48.128%0.27623%0.226SC..EExtended strand (participates in β ladder)trans-111.3123.5169.8-166.8156-128.400109.1Q69 A70 R112Q69-E85 PolarHBondContact N-O 3.06Å; A70-E85 HydrophobicContact CB-CB 4.22Å; A70-E85 PolarHBondContact N-O 2.94Å; A70-E85 PolarHBondContact O-N 2.85Å; E85-R112 HydrophobicContact CG-CG 4.29Å; E85-R112 IonicContact OE1-CZ 2.71Å; E85-R112 VanDerWaalsContact OE1-CZ 3.31Å; E85-R112 IonicContact OE1-NE 3.89Å; E85-R112 PolarHBondContact OE1-NE 3.34Å; E85-R112 IonicContact OE1-NH2 2.67Å; E85-R112 PolarHBondContact OE1-NH2 3.27Å
86L94.1Very high92.6Very high4 Ų447.5 Ų47.52%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-109.1152.9-170-58.6174.4000111Q67 I68 R88 F90 T111 L142Q67-L86 WeakPolarHBondContact O-CA 3.4Å; I68-L86 HydrophobicContact CB-CD2 4.34Å; I68-L86 HydrophobicContact CG1-CD2 3.8Å; L86-R88 PolarHBondContact O-N 3.35Å; L86-R88 VanDerWaalsContact O-N 3.1Å; L86-F90 HydrophobicContact CD1-CB 3.38Å; L86-F90 HydrophobicContact CD1-CD1 3.92Å; L86-F90 HydrophobicContact CD1-CD2 3.92Å; L86-F90 HydrophobicContact CD1-CG 3.49Å; L86-F90 VanDerWaalsContact CD1-CG 3.49Å; L86-T111 WeakPolarHBondContact CB-O 3.24Å; L86-T111 PolarHBondContact N-O 2.91Å; L86-L142 HydrophobicContact CD1-CD1 4.29Å; L86-L142 HydrophobicContact CD1-CD2 4.43Å; L86-L142 HydrophobicContact CD2-CD2 3.7Å
87S94.1Very high92.6Very high22 Ų2247.7 Ų47.715%0.15422%0.216CC..EExtended strand (participates in β ladder)trans-65-15.3-174.9640000115.9T65 Q67T65-S87 PolarHBondContact O-OG 3.09Å; Q67-S87 PolarHBondContact N-OG 3.29Å; Q67-S87 PolarHBondContact O-N 3.39Å; Q67-S87 PolarHBondContact O-OG 3.1Å
88R92.8Very high92.8Very high109 Ų10945.6 Ų45.641%0.41122%0.215SC..EExtended strand (participates in β ladder)trans-152.9163.8-179.4-54.5-179.9-178.7-133.5-3109.4K64 M66 L86 F90K64-R88 PolarHBondContact O-NE 3.35Å; K64-R88 PolarHBondContact O-NH2 3.45Å; M66-R88 HydrophobicContact CE-CB 3.83Å; M66-R88 HydrophobicContact CE-CG 4.5Å; M66-R88 HydrophobicContact SD-CB 3.76Å; M66-R88 HydrophobicContact SD-CG 4.18Å; L86-R88 PolarHBondContact O-N 3.35Å; L86-R88 VanDerWaalsContact O-N 3.1Å; R88-F90 PolarHBondContact O-N 3.14Å
89P93.9Very high93.1Very high81 Ų8140.8 Ų40.853%0.52619%0.192SC..EExtended strand (participates in β ladder)trans-51132.7169.4-29.637.8000112.6M66M66-P89 WeakPolarHBondContact CE-O 3.44Å
90F93.6Very high93Very high5 Ų539.3 Ų39.32%0.02219%0.186CC..EExtended strand (participates in β ladder)trans-121.2130.4-173.5-179.7-99000112.3L86 R88 G107 K108 D109 S110 L113 L142 Q143L86-F90 HydrophobicContact CD1-CB 3.38Å; L86-F90 HydrophobicContact CD1-CD1 3.92Å; L86-F90 HydrophobicContact CD1-CD2 3.92Å; L86-F90 HydrophobicContact CD1-CG 3.49Å; L86-F90 VanDerWaalsContact CD1-CG 3.49Å; R88-F90 PolarHBondContact O-N 3.14Å; F90-G107 CarbonylContact O-C 3.53Å; F90-G107 VanDerWaalsContact O-C 3.31Å; F90-G107 WeakPolarHBondContact O-CA 3.3Å; F90-K108 PolarHBondContact O-N 3.47Å; F90-D109 PolarHBondContact O-N 3.33Å; F90-D109 VanDerWaalsContact O-N 3.1Å; F90-S110 PolarHBondContact N-O 3.48Å; F90-L113 HydrophobicContact CD1-CD2 3.78Å; F90-L113 HydrophobicContact CE1-CD2 3.68Å; F90-L142 HydrophobicContact CD1-CD1 4.39Å; F90-L142 HydrophobicContact CD2-CD1 4.47Å; F90-L142 HydrophobicContact CE1-CD1 3.67Å; F90-L142 HydrophobicContact CE2-CD1 3.76Å; F90-L142 HydrophobicContact CE2-CD2 4.31Å; F90-L142 HydrophobicContact CE2-CG 3.84Å; F90-L142 HydrophobicContact CZ-CD1 3.3Å; F90-L142 HydrophobicContact CZ-CG 3.76Å; F90-Q143 WeakPolarHBondContact CZ-O 3.22Å
91R92.7Very high92.6Very high157 Ų15744.6 Ų44.659%0.59221%0.214SC*.  trans-116.61.9178.3-148.1-179171.6125.1-12.4113.4D109 Q146R91-D109 VanDerWaalsContact CB-OD1 3.29Å; R91-D109 WeakPolarHBondContact CB-OD1 3.45Å; R91-D109 VanDerWaalsContact CD-OD1 3.23Å; R91-D109 WeakPolarHBondContact CD-OD1 3.41Å; R91-D109 WeakPolarHBondContact CG-OD1 3.34Å; R91-D109 IonicContact CZ-OD2 3.51Å; R91-D109 IonicContact NE-OD2 3.65Å; R91-D109 IonicContact NH1-OD1 2.65Å; R91-D109 IonicContact NH1-OD2 3.47Å; R91-D109 PolarHBondContact NH1-OD2 2.67Å; R91-Q146 VanDerWaalsContact O-CD 3.28Å; R91-Q146 WeakPolarHBondContact O-CG 3.45Å; R91-Q146 PolarHBondContact O-NE2 2.67Å
92G92.6Very high92.2Very high0 Ų048.3 Ų48.30%023%0.231CC..SBendtrans-76.5-150.9-177.700000114.2G107 Q143 K144G92-G107 PolarHBondContact O-N 3.34Å; G92-Q143 WeakPolarHBondContact CA-O 3.28Å; G92-K144 VanDerWaalsContact CA-O 3.24Å; G92-K144 WeakPolarHBondContact CA-O 3.42Å
93L93.6Very high92Very high30 Ų3048.7 Ų48.716%0.15723%0.234CC..EExtended strand (participates in β ladder)trans-122139.9176.4-70.7165.7000110.3Y95 R106 L142 Q143 Q146L93-Y95 HydrophobicContact CB-CD1 4.32Å; L93-R106 HydrophobicContact CD2-CB 4.12Å; L93-R106 HydrophobicContact CD2-CG 4.1Å; L93-L142 CarbonylContact O-C 3.31Å; L93-Q143 HydrophobicContact CB-CB 4.45Å; L93-Q143 PolarHBondContact N-O 3.49Å; L93-Q143 PolarHBondContact O-N 3.09Å; L93-Q146 WeakPolarHBondContact CD1-O 3.29Å
94L94.9Very high91.9Very high0 Ų051.1 Ų51.10%024%0.239CC..EExtended strand (participates in β ladder)trans-116.5126.8165.5174.568.4000107.4M82 L84 R104 A105 L113 L115 V140 M141 L142M82-L94 HydrophobicContact SD-CD2 4.47Å; L84-L94 HydrophobicContact CD1-CD2 3.92Å; L84-L94 HydrophobicContact CD2-CD1 4.08Å; L84-L94 HydrophobicContact CD2-CD2 3.95Å; L84-L94 HydrophobicContact CG-CD2 4.46Å; L94-R104 CarbonylContact O-C 3.57Å; L94-R104 WeakPolarHBondContact O-CA 3.32Å; L94-A105 PolarHBondContact N-O 3Å; L94-A105 PolarHBondContact O-N 3.43Å; L94-L113 HydrophobicContact CB-CD2 3.43Å; L94-L113 VanDerWaalsContact CB-CD2 3.43Å; L94-L113 HydrophobicContact CB-CG 4.31Å; L94-L113 HydrophobicContact CD2-CD2 3.85Å; L94-L113 HydrophobicContact CD2-CG 4.05Å; L94-L113 HydrophobicContact CG-CD2 4.27Å; L94-L115 HydrophobicContact CD2-CB 3.84Å; L94-L115 HydrophobicContact CD2-CD2 4.24Å; L94-L115 HydrophobicContact CG-CB 4.41Å; L94-L115 HydrophobicContact CG-CD2 3.97Å; L94-V140 HydrophobicContact CD1-CB 4.18Å; L94-V140 HydrophobicContact CD1-CG2 4.15Å; L94-M141 WeakPolarHBondContact CA-O 3.47Å; L94-L142 HydrophobicContact CB-CD1 4.05Å; L94-L142 HydrophobicContact CD1-CB 4.23Å; L94-L142 HydrophobicContact CD1-CD1 4.04Å
95Y94.8Very high91.9Very high21 Ų2151.6 Ų51.68%0.08224%0.244CC..EExtended strand (participates in β ladder)trans-149.3158.3-17863.1-84.8000112.2L93 K97 P100 C103 V140 M141 Q143L93-Y95 HydrophobicContact CB-CD1 4.32Å; Y95-K97 PolarHBondContact O-N 3.41Å; Y95-P100 VanDerWaalsContact CD2-CA 3.43Å; Y95-P100 HydrophobicContact CD2-CB 3.61Å; Y95-P100 HydrophobicContact CE2-CB 3.66Å; Y95-P100 HydrophobicContact CG-CB 4.18Å; Y95-C103 CarbonylContact C-O 3.47Å; Y95-C103 WeakPolarHBondContact CA-O 3.47Å; Y95-C103 WeakPolarHBondContact CB-O 3.32Å; Y95-V140 CarbonylContact O-C 3.06Å; Y95-V140 VanDerWaalsContact O-CA 3.3Å; Y95-V140 WeakPolarHBondContact O-CA 3.37Å; Y95-M141 HydrophobicContact CD1-CB 4.28Å; Y95-M141 HydrophobicContact CD2-CB 4.41Å; Y95-M141 HydrophobicContact CE1-CB 3.81Å; Y95-M141 HydrophobicContact CE1-CG 3.91Å; Y95-M141 HydrophobicContact CE2-CB 3.94Å; Y95-M141 PolarHBondContact N-O 3.05Å; Y95-M141 PolarHBondContact O-N 3.01Å; Y95-Q143 HydrophobicContact CE1-CB 3.95Å
96A94.4Very high91.8Very high0 Ų056.2 Ų56.20%026%0.259CS..EExtended strand (participates in β ladder)trans-66.2129.5172.200000109.7D98 F99 C103 I117 C122 V138A96-D98 PolarHBondContact O-N 3.5Å; A96-F99 HydrophobicContact CB-CB 4.32Å; A96-F99 CarbonylContact O-C 3.56Å; A96-F99 PolarHBondContact O-N 3.39Å; A96-C103 HydrophobicContact CB-CB 3.83Å; A96-C103 PolarHBondContact N-O 3.5Å; A96-I117 HydrophobicContact CB-CD1 4.13Å; A96-C122 HydrophobicContact CB-CB 3.99Å; A96-C122 WeakPolarHBondContact CB-O 3.36Å; A96-V138 HydrophobicContact CB-CG2 4.49Å
97K89.7Confident91.7Very high56 Ų5656.3 Ų56.324%0.24326%0.261CS..THydrogen-bonded Turntrans-52.9134.8-178.9-173.6-156.7171.2-70.20108.6Y95 F99 R139 L155Y95-K97 PolarHBondContact O-N 3.41Å; K97-F99 WeakPolarHBondContact O-CD2 3.42Å; K97-F99 PolarHBondContact O-N 2.88Å; K97-R139 HydrophobicContact CB-CB 3.78Å; K97-R139 WeakPolarHBondContact CB-O 3.36Å; K97-R139 HydrophobicContact CD-CB 4.05Å; K97-R139 PolarHBondContact N-O 3.01Å; K97-L155 HydrophobicContact CB-CD1 4.28Å; K97-L155 HydrophobicContact CD-CD1 4.2Å; K97-L155 HydrophobicContact CG-CD1 4.2Å
98D86.6Confident91.6Very high80 Ų8064.1 Ų64.143%0.42829%0.292SS..THydrogen-bonded Turntrans76-21.4-176.1-45.7-43.4000115A96 P100 G259A96-D98 PolarHBondContact O-N 3.5Å; D98-P100 WeakPolarHBondContact O-CD 3.49Å; D98-G259 CarbonylContact C-O 3.59Å; D98-G259 CarbonylContact O-C 3.57Å
99F89.5Confident91.6Very high29 Ų2962.9 Ų62.913%0.12729%0.293CS..EExtended strand (participates in β ladder)trans-110.462.1179.6-56.8-96.5000113.9A96 K97 L101 C103 C122 G259A96-F99 HydrophobicContact CB-CB 4.32Å; A96-F99 CarbonylContact O-C 3.56Å; A96-F99 PolarHBondContact O-N 3.39Å; K97-F99 WeakPolarHBondContact O-CD2 3.42Å; K97-F99 PolarHBondContact O-N 2.88Å; F99-L101 VanDerWaalsContact C-N 3.29Å; F99-L101 PolarHBondContact O-N 2.98Å; F99-C103 PolarHBondContact O-N 2.94Å; F99-C122 HydrophobicContact CB-CB 4.36Å; F99-C122 HydrophobicContact CD2-CB 4.42Å; F99-C122 VanDerWaalsContact CE2-C 3.42Å; F99-C122 HydrophobicContact CG-CB 4.25Å; F99-G259 WeakPolarHBondContact CA-O 3.41Å; F99-G259 WeakPolarHBondContact CD1-O 3.32Å; F99-G259 WeakPolarHBondContact CE1-O 3.37Å; F99-G259 WeakPolarHBondContact CG-O 3.48Å
100P87.1Confident91.5Very high37 Ų3761.2 Ų61.224%0.2428%0.284CS..EExtended strand (participates in β ladder)trans-74.6-9.7-174.732.7-37.7000115.3Y95 D98 R104 L260Y95-P100 VanDerWaalsContact CD2-CA 3.43Å; Y95-P100 HydrophobicContact CD2-CB 3.61Å; Y95-P100 HydrophobicContact CE2-CB 3.66Å; Y95-P100 HydrophobicContact CG-CB 4.18Å; D98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-R104 WeakPolarHBondContact O-CD 3.49Å; P100-L260 HydrophobicContact CG-CD2 3.76Å
101L85.9Confident91.5Very high110 Ų11063.5 Ų63.558%0.57630%0.298SS*.EExtended strand (participates in β ladder)trans-97.4-47.2-178-61.3-177.9000111.6F99F99-L101 VanDerWaalsContact C-N 3.29Å; F99-L101 PolarHBondContact O-N 2.98Å
102E85.1Confident91.6Very high126 Ų12664.2 Ų64.259%0.58930%0.301SS*.EExtended strand (participates in β ladder)trans-83.9-55.5-172.3-59.5176.9170.700112.4R104E102-R104 PolarHBondContact O-N 3.38Å
103C91.5Very high91.6Very high7 Ų765.1 Ų65.15%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-104.378.6-175.7-80.60000112.1Y95 A96 F99 P118 C122Y95-C103 CarbonylContact C-O 3.47Å; Y95-C103 WeakPolarHBondContact CA-O 3.47Å; Y95-C103 WeakPolarHBondContact CB-O 3.32Å; A96-C103 HydrophobicContact CB-CB 3.83Å; A96-C103 PolarHBondContact N-O 3.5Å; F99-C103 PolarHBondContact O-N 2.94Å; C103-P118 VanDerWaalsContact SG-CD 3.58Å; C103-C122 HydrophobicContact CB-CB 3.52Å; C103-C122 WeakPolarHBondContact CB-SG 3.45Å; C103-C122 WeakPolarHBondContact SG-CB 3.35Å; C103-C122 CovalentContact SG-SG 2.02Å; C103-C122 PolarHBondContact SG-SG 3.46Å
104R93.1Very high91.7Very high137 Ų13766.4 Ų66.452%0.51731%0.311SS..EExtended strand (participates in β ladder)trans-136151.6-178.575.5-168.2-172.5-179.5-6.6114.6L94 P100 E102L94-R104 CarbonylContact O-C 3.57Å; L94-R104 WeakPolarHBondContact O-CA 3.32Å; P100-R104 WeakPolarHBondContact O-CD 3.49Å; E102-R104 PolarHBondContact O-N 3.38Å
105A94.2Very high91.7Very high14 Ų1466.6 Ų66.612%0.11631%0.312CS..EExtended strand (participates in β ladder)trans-127.6142.3169.500000109.8L94 L113 H114 L115L94-A105 PolarHBondContact N-O 3Å; L94-A105 PolarHBondContact O-N 3.43Å; A105-L113 HydrophobicContact CB-CD1 4.12Å; A105-H114 WeakPolarHBondContact CB-O 3.39Å; A105-L115 HydrophobicContact CB-CB 4.11Å; A105-L115 HydrophobicContact CB-CD1 4.08Å
106R94.1Very high91.7Very high155 Ų15572.6 Ų72.659%0.58533%0.334SS*.EExtended strand (participates in β ladder)trans-107.6132-179.7-169178.4-174.8-178.21.9110.3L93L93-R106 HydrophobicContact CD2-CB 4.12Å; L93-R106 HydrophobicContact CD2-CG 4.1Å
107G91.8Very high91.7Very high6 Ų672.6 Ų72.66%0.06233%0.334CS..  trans-61.5137.8173.800000112F90 G92F90-G107 CarbonylContact O-C 3.53Å; F90-G107 VanDerWaalsContact O-C 3.31Å; F90-G107 WeakPolarHBondContact O-CA 3.3Å; G92-G107 PolarHBondContact O-N 3.34Å
108K92Very high91.8Very high186 Ų18672.6 Ų72.681%0.80934%0.34SS*.  trans-120.545.2179.6-63.2-175.7-179.9179.90111.3F90 S110F90-K108 PolarHBondContact O-N 3.47Å; K108-S110 PolarHBondContact O-N 2.99Å; K108-S110 VanDerWaalsContact O-N 3.14Å
109D91.5Very high91.8Very high83 Ų8369.8 Ų69.844%0.44433%0.326SS..SBendtrans53.235.3-177.6-58.8-50.5000113.4F90 R91F90-D109 PolarHBondContact O-N 3.33Å; F90-D109 VanDerWaalsContact O-N 3.1Å; R91-D109 VanDerWaalsContact CB-OD1 3.29Å; R91-D109 WeakPolarHBondContact CB-OD1 3.45Å; R91-D109 VanDerWaalsContact CD-OD1 3.23Å; R91-D109 WeakPolarHBondContact CD-OD1 3.41Å; R91-D109 WeakPolarHBondContact CG-OD1 3.34Å; R91-D109 IonicContact CZ-OD2 3.51Å; R91-D109 IonicContact NE-OD2 3.65Å; R91-D109 IonicContact NH1-OD1 2.65Å; R91-D109 IonicContact NH1-OD2 3.47Å; R91-D109 PolarHBondContact NH1-OD2 2.67Å
110S93Very high91.3Very high46 Ų4671.4 Ų71.432%0.32234%0.341SS..EExtended strand (participates in β ladder)trans-115148.1179.6166.20000109.2F90 K108 R112F90-S110 PolarHBondContact N-O 3.48Å; K108-S110 PolarHBondContact O-N 2.99Å; K108-S110 VanDerWaalsContact O-N 3.14Å; S110-R112 VanDerWaalsContact C-N 3.27Å; S110-R112 WeakPolarHBondContact CB-O 3.33Å; S110-R112 PolarHBondContact OG-N 2.95Å; S110-R112 PolarHBondContact OG-O 3.2Å
111T93Very high91Very high53 Ų5370.7 Ų70.733%0.32534%0.34SS..EExtended strand (participates in β ladder)trans-70.2-27.6167.449.90000111.5L86L86-T111 WeakPolarHBondContact CB-O 3.24Å; L86-T111 PolarHBondContact N-O 2.91Å
112R94.6Very high91Very high172 Ų17266 Ų6665%0.64932%0.316SS*.EExtended strand (participates in β ladder)trans-94.6131.9179.6-65179.4-179.9171.8-0.6111.2L84 E85 S110L84-R112 WeakPolarHBondContact O-CA 3.44Å; E85-R112 HydrophobicContact CG-CG 4.29Å; E85-R112 IonicContact OE1-CZ 2.71Å; E85-R112 VanDerWaalsContact OE1-CZ 3.31Å; E85-R112 IonicContact OE1-NE 3.89Å; E85-R112 PolarHBondContact OE1-NE 3.34Å; E85-R112 IonicContact OE1-NH2 2.67Å; E85-R112 PolarHBondContact OE1-NH2 3.27Å; S110-R112 VanDerWaalsContact C-N 3.27Å; S110-R112 WeakPolarHBondContact CB-O 3.33Å; S110-R112 PolarHBondContact OG-N 2.95Å; S110-R112 PolarHBondContact OG-O 3.2Å
113L94.1Very high90.9Very high19 Ų1961.7 Ų61.710%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-132.7146177.9-172.557.2000109.7L84 F90 L94 A105 L142L84-L113 PolarHBondContact N-O 3.45Å; L84-L113 PolarHBondContact O-N 2.93Å; F90-L113 HydrophobicContact CD1-CD2 3.78Å; F90-L113 HydrophobicContact CE1-CD2 3.68Å; L94-L113 HydrophobicContact CB-CD2 3.43Å; L94-L113 VanDerWaalsContact CB-CD2 3.43Å; L94-L113 HydrophobicContact CB-CG 4.31Å; L94-L113 HydrophobicContact CD2-CD2 3.85Å; L94-L113 HydrophobicContact CD2-CG 4.05Å; L94-L113 HydrophobicContact CG-CD2 4.27Å; A105-L113 HydrophobicContact CB-CD1 4.12Å; L113-L142 HydrophobicContact CD2-CD1 4.17Å
114H94.8Very high90.7Very high57 Ų5762.5 Ų62.526%0.26431%0.31SS..EExtended strand (participates in β ladder)trans-132.3131.2-177.9176.4-111.9000110.3E81 M82 H83 A105 R116E81-H114 IonicContact OE1-CE1 2.69Å; E81-H114 IonicContact OE1-NE2 3.9Å; M82-H114 VanDerWaalsContact O-CA 3.32Å; M82-H114 WeakPolarHBondContact O-CA 3.3Å; M82-H114 PolarHBondContact O-CD2 3.29Å; H83-H114 AromaticContact CE1-CD2 3.26Å; H83-H114 PolarHBondContact CE1-CD2 2.89Å; H83-H114 AromaticContact CE1-NE2 3.65Å; H83-H114 AromaticContact CG-CD2 3.9Å; H83-H114 AromaticContact ND1-CD2 3.4Å; H83-H114 PolarHBondContact ND1-CD2 3.46Å; H83-H114 AromaticContact NE2-CD2 3.69Å; H83-H114 AromaticContact NE2-NE2 3.84Å; A105-H114 WeakPolarHBondContact CB-O 3.39Å; H114-R116 VanDerWaalsContact CE1-CG 3.41Å; H114-R116 WeakPolarHBondContact CE1-CG 3.4Å
115L94.8Very high90.4Very high4 Ų462.6 Ų62.62%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-126.5134.5175.8174.361.4000109.3M82 L94 A105 I117 V140M82-L115 HydrophobicContact CE-CD2 4.4Å; M82-L115 HydrophobicContact CG-CB 3.74Å; M82-L115 HydrophobicContact CG-CG 4.46Å; M82-L115 WeakPolarHBondContact CG-O 3.43Å; M82-L115 PolarHBondContact N-O 2.91Å; M82-L115 PolarHBondContact O-N 2.72Å; M82-L115 HydrophobicContact SD-CB 4.05Å; M82-L115 HydrophobicContact SD-CD2 3.97Å; M82-L115 HydrophobicContact SD-CG 4.31Å; L94-L115 HydrophobicContact CD2-CB 3.84Å; L94-L115 HydrophobicContact CD2-CD2 4.24Å; L94-L115 HydrophobicContact CG-CB 4.41Å; L94-L115 HydrophobicContact CG-CD2 3.97Å; A105-L115 HydrophobicContact CB-CB 4.11Å; A105-L115 HydrophobicContact CB-CD1 4.08Å; L115-I117 HydrophobicContact CD1-CG1 4.44Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CD2-CG1 4.05Å; L115-I117 HydrophobicContact CG-CD1 4.25Å; L115-I117 HydrophobicContact CG-CG1 3.85Å; L115-V140 HydrophobicContact CD2-CG1 4.45Å
116R95.1Very high89.8Confident148 Ų14863.3 Ų63.356%0.55832%0.317SS*.EExtended strand (participates in β ladder)trans-105.6131.4170.8-65.8-174.9157.9127.58.1108.5L79 E81 H114L79-R116 HydrophobicContact CD2-CB 4.38Å; E81-R116 HydrophobicContact CG-CG 4.33Å; E81-R116 IonicContact OE1-CZ 2.74Å; E81-R116 IonicContact OE1-NE 3.12Å; E81-R116 PolarHBondContact OE1-NE 2.9Å; E81-R116 IonicContact OE1-NH2 2.82Å; E81-R116 PolarHBondContact OE1-NH2 3.18Å; H114-R116 VanDerWaalsContact CE1-CG 3.41Å; H114-R116 WeakPolarHBondContact CE1-CG 3.4Å
117I94.3Very high89.2Confident0 Ų060.5 Ų60.50%031%0.311CS..EExtended strand (participates in β ladder)trans-127.9125176.8-52.7-174.5000108L80 M82 A96 L115 C122 V124 V138 V140L80-I117 PolarHBondContact N-O 3.29Å; L80-I117 PolarHBondContact O-N 2.89Å; M82-I117 HydrophobicContact CE-CD1 3.41Å; M82-I117 VanDerWaalsContact CE-CD1 3.41Å; M82-I117 HydrophobicContact CE-CG1 4.09Å; A96-I117 HydrophobicContact CB-CD1 4.13Å; L115-I117 HydrophobicContact CD1-CG1 4.44Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CD2-CG1 4.05Å; L115-I117 HydrophobicContact CG-CD1 4.25Å; L115-I117 HydrophobicContact CG-CG1 3.85Å; I117-C122 HydrophobicContact CG2-CB 3.66Å; I117-V124 HydrophobicContact CG2-CG2 3.61Å; I117-V138 HydrophobicContact CD1-CG1 4.18Å; I117-V138 HydrophobicContact CD1-CG2 4.01Å; I117-V140 HydrophobicContact CD1-CG1 4.14Å
118P91.3Very high88.3Confident56 Ų5663.3 Ų63.336%0.36433%0.328SS..EExtended strand (participates in β ladder)trans-62.5135.2170.1-19.632.8000110.6E78 C103 S120 G121E78-P118 WeakPolarHBondContact O-CA 3.44Å; C103-P118 VanDerWaalsContact SG-CD 3.58Å; P118-S120 PolarHBondContact O-N 3.49Å; P118-G121 PolarHBondContact O-N 2.82Å; P118-G121 VanDerWaalsContact O-N 3.13Å
119T86.3Confident87.9Confident20 Ų2057 Ų5712%0.12330%0.303CS..THydrogen-bonded Turntrans-67.4-19.4-178.850.30000113.8R77 E78 Y136R77-T119 PolarHBondContact O-OG1 3.37Å; E78-T119 VanDerWaalsContact C-OG1 3.29Å; E78-T119 VanDerWaalsContact CA-OG1 3.32Å; E78-T119 WeakPolarHBondContact CA-OG1 3.48Å; E78-T119 PolarHBondContact O-N 3.01Å; E78-T119 PolarHBondContact O-OG1 3.48Å; T119-Y136 HydrophobicContact CG2-CD2 4.1Å; T119-Y136 HydrophobicContact CG2-CE1 4.39Å; T119-Y136 HydrophobicContact CG2-CE2 3.61Å
120S79.2Confident87.3Confident64 Ų6462.9 Ų62.945%0.44833%0.327SS..THydrogen-bonded Turntrans-85.3-8.3175.367.70000113.9P118 Y454P118-S120 PolarHBondContact O-N 3.49Å; S120-Y454 WeakPolarHBondContact CB-O 3.39Å
121G81.4Confident86.4Confident22 Ų2267.3 Ų67.323%0.22735%0.348CS..SBendtrans-133.8-173.2-16800000114.6P118 G123 V124P118-G121 PolarHBondContact O-N 2.82Å; P118-G121 VanDerWaalsContact O-N 3.13Å; G121-G123 PolarHBondContact O-N 3.4Å; G121-V124 WeakPolarHBondContact O-CG2 3.4Å; G121-V124 PolarHBondContact O-N 2.85Å; G121-V124 VanDerWaalsContact O-N 3.08Å
122C86.6Confident85.4Confident10 Ų1065.9 Ų65.97%0.06834%0.343CS..THydrogen-bonded Turntrans52.635.4166.4-61.40000115.7A96 F99 C103 I117 V124A96-C122 HydrophobicContact CB-CB 3.99Å; A96-C122 WeakPolarHBondContact CB-O 3.36Å; F99-C122 HydrophobicContact CB-CB 4.36Å; F99-C122 HydrophobicContact CD2-CB 4.42Å; F99-C122 VanDerWaalsContact CE2-C 3.42Å; F99-C122 HydrophobicContact CG-CB 4.25Å; C103-C122 HydrophobicContact CB-CB 3.52Å; C103-C122 WeakPolarHBondContact CB-SG 3.45Å; C103-C122 WeakPolarHBondContact SG-CB 3.35Å; C103-C122 CovalentContact SG-SG 2.02Å; C103-C122 PolarHBondContact SG-SG 3.46Å; I117-C122 HydrophobicContact CG2-CB 3.66Å; C122-V124 VanDerWaalsContact C-N 3.3Å; C122-V124 PolarHBondContact O-N 3.24Å
123G82.2Confident84.7Confident37 Ų3758.3 Ų58.338%0.38132%0.317SS..THydrogen-bonded Turntrans72.917.4176.400000114.9G121 R125G121-G123 PolarHBondContact O-N 3.4Å; G123-R125 PolarHBondContact O-N 2.97Å
124V88.3Confident84.2Confident23 Ų2358.6 Ų58.614%0.13932%0.318CS..  trans-66.7125.3166.3179.90000108.8I117 G121 C122 Y136 V138I117-V124 HydrophobicContact CG2-CG2 3.61Å; G121-V124 WeakPolarHBondContact O-CG2 3.4Å; G121-V124 PolarHBondContact O-N 2.85Å; G121-V124 VanDerWaalsContact O-N 3.08Å; C122-V124 VanDerWaalsContact C-N 3.3Å; C122-V124 PolarHBondContact O-N 3.24Å; V124-Y136 HydrophobicContact CG1-CD1 3.79Å; V124-Y136 HydrophobicContact CG1-CG 4.15Å; V124-V138 HydrophobicContact CG2-CB 4.04Å; V124-V138 HydrophobicContact CG2-CG2 4.07Å
125R85.1Confident83.9Confident139 Ų13956.7 Ų56.753%0.52531%0.309SS..EExtended strand (participates in β ladder)trans-103.7143.2171.8-63.9-179.1174.1-164.8-7.5109G123 Y136 T137G123-R125 PolarHBondContact O-N 2.97Å; R125-Y136 CarbonylContact O-C 3.49Å; R125-Y136 VanDerWaalsContact O-CA 3.25Å; R125-Y136 WeakPolarHBondContact O-CA 3.44Å; R125-T137 PolarHBondContact N-O 3.07Å; R125-T137 PolarHBondContact O-N 2.98Å
126A81.7Confident83.7Confident30 Ų3057.3 Ų57.325%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-123.1112.2-178.500000110L134 Y136A126-L134 HydrophobicContact CB-CD1 4.14Å; A126-L134 HydrophobicContact CB-CD2 4.12Å; A126-L134 HydrophobicContact CB-CG 4.18Å; A126-Y136 HydrophobicContact CB-CD1 3.76Å; A126-Y136 HydrophobicContact CB-CE1 3.7Å
127E81.4Confident83.6Confident96 Ų9651.2 Ų51.245%0.44929%0.29SS..EExtended strand (participates in β ladder)trans-115.4122.5-176.2-68.8175.3-170.500109.4E135E127-E135 PolarHBondContact N-O 3.44Å; E127-E135 PolarHBondContact O-N 2.89Å
128P74.9Confident83.5Confident65 Ų6551.2 Ų51.242%0.42229%0.291SS..EExtended strand (participates in β ladder)trans-72.7132179.629.1-33.6000111L134 W217P128-L134 HydrophobicContact CB-CD1 4.43Å; P128-W217 HydrophobicContact CG-CZ2 4.28Å
129L82.2Confident83.6Confident54 Ų5454.7 Ų54.728%0.28330%0.296SS..  trans-88.6158.9173-108.563.1000111.3D131 G132 S133 E135L129-D131 PolarHBondContact O-N 3.32Å; L129-G132 PolarHBondContact O-N 2.95Å; L129-S133 VanDerWaalsContact CB-OG 3.31Å; L129-S133 WeakPolarHBondContact CB-OG 3.23Å; L129-S133 PolarHBondContact N-O 2.94Å; L129-E135 HydrophobicContact CD1-CB 3.81Å
130E78.6Confident84Confident205 Ų20553.8 Ų53.896%0.95829%0.291SS*.THydrogen-bonded Turntrans-58.7-33.9178.3-59.7-172.1165.400112.3G132E130-G132 PolarHBondContact O-N 3.49Å; E130-G132 VanDerWaalsContact O-N 3.08Å
131D75.6Confident84.7Confident140 Ų14052 Ų5275%0.74928%0.276SS*.THydrogen-bonded Turntrans-67-3.6174.6-57.9-42.7000114L129 S133L129-D131 PolarHBondContact O-N 3.32Å; D131-S133 PolarHBondContact O-N 2.88Å
132G71.2Confident85.3Confident22 Ų2251 Ų5123%0.22727%0.266CS..SBendtrans74.98.4-17700000114.7L129 E130 M167 R215L129-G132 PolarHBondContact O-N 2.95Å; E130-G132 PolarHBondContact O-N 3.49Å; E130-G132 VanDerWaalsContact O-N 3.08Å; G132-M167 VanDerWaalsContact O-CE 3.27Å; G132-M167 WeakPolarHBondContact O-CE 3.36Å; G132-R215 PolarHBondContact O-NH1 2.75Å; G132-R215 PolarHBondContact O-NH2 3.06Å; G132-R215 VanDerWaalsContact O-NH2 3.12Å
133S80.9Confident85.7Confident14 Ų1451.5 Ų51.510%0.09827%0.267CS..  trans-75.2173.1161.556.20000111.2L129 D131 L162L129-S133 VanDerWaalsContact CB-OG 3.31Å; L129-S133 WeakPolarHBondContact CB-OG 3.23Å; L129-S133 PolarHBondContact N-O 2.94Å; D131-S133 PolarHBondContact O-N 2.88Å; S133-L162 WeakPolarHBondContact CB-O 3.47Å
134L81.6Confident86.1Confident24 Ų2451.9 Ų51.913%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-128.5121.2-178.4-168.970.1000109.3A126 P128 Y136 L162 M167A126-L134 HydrophobicContact CB-CD1 4.14Å; A126-L134 HydrophobicContact CB-CD2 4.12Å; A126-L134 HydrophobicContact CB-CG 4.18Å; P128-L134 HydrophobicContact CB-CD1 4.43Å; L134-Y136 HydrophobicContact CD2-CD1 4.45Å; L134-Y136 HydrophobicContact CD2-CE1 3.65Å; L134-Y136 HydrophobicContact CG-CE1 4.3Å; L134-L162 PolarHBondContact N-O 2.91Å; L134-L162 PolarHBondContact O-N 3.33Å; L134-M167 HydrophobicContact CB-CE 4.07Å; L134-M167 HydrophobicContact CB-SD 3.99Å; L134-M167 HydrophobicContact CD2-SD 4.18Å
135E89.3Confident86.1Confident18 Ų1856 Ų568%0.08428%0.275CS..EExtended strand (participates in β ladder)trans-89.2115173.7-177.1161.4-75.100110.1E127 L129 R159 Q161E127-E135 PolarHBondContact N-O 3.44Å; E127-E135 PolarHBondContact O-N 2.89Å; L129-E135 HydrophobicContact CD1-CB 3.81Å; E135-R159 HydrophobicContact CG-CB 4.5Å; E135-R159 WeakPolarHBondContact OE2-CD 3.21Å; E135-R159 IonicContact OE2-CZ 2.87Å; E135-R159 IonicContact OE2-NE 3.12Å; E135-R159 IonicContact OE2-NH1 3.02Å; E135-R159 PolarHBondContact OE2-NH1 3.15Å; E135-Q161 HydrophobicContact CB-CG 4.26Å; E135-Q161 HydrophobicContact CG-CG 4.23Å; E135-Q161 WeakPolarHBondContact OE1-CG 3.43Å; E135-Q161 PolarHBondContact OE1-NE2 3.1Å
136Y91.2Very high86.2Confident17 Ų1751.8 Ų51.87%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-86.1123.8168.4-67.7-50.7000110.5C75 T119 V124 R125 A126 L134 R159 C160 L162C75-Y136 HydrophobicContact CB-CD2 3.93Å; C75-Y136 HydrophobicContact CB-CE2 4.45Å; T119-Y136 HydrophobicContact CG2-CD2 4.1Å; T119-Y136 HydrophobicContact CG2-CE1 4.39Å; T119-Y136 HydrophobicContact CG2-CE2 3.61Å; V124-Y136 HydrophobicContact CG1-CD1 3.79Å; V124-Y136 HydrophobicContact CG1-CG 4.15Å; R125-Y136 CarbonylContact O-C 3.49Å; R125-Y136 VanDerWaalsContact O-CA 3.25Å; R125-Y136 WeakPolarHBondContact O-CA 3.44Å; A126-Y136 HydrophobicContact CB-CD1 3.76Å; A126-Y136 HydrophobicContact CB-CE1 3.7Å; L134-Y136 HydrophobicContact CD2-CD1 4.45Å; L134-Y136 HydrophobicContact CD2-CE1 3.65Å; L134-Y136 HydrophobicContact CG-CE1 4.3Å; Y136-R159 CarbonylContact O-C 3.52Å; Y136-R159 VanDerWaalsContact O-CA 3.3Å; Y136-R159 WeakPolarHBondContact O-CA 3.5Å; Y136-C160 PolarHBondContact N-O 3.07Å; Y136-C160 PolarHBondContact O-N 3.01Å; Y136-L162 HydrophobicContact CD2-CB 4.33Å; Y136-L162 HydrophobicContact CE2-CB 4.04Å; Y136-L162 HydrophobicContact CE2-CD2 3.74Å; Y136-L162 HydrophobicContact CE2-CG 4.46Å
137T92.1Very high86.4Confident19 Ų1960 Ų6012%0.11729%0.292CS..EExtended strand (participates in β ladder)trans-118.1126.9174.7-670000110.6R125 V158R125-T137 PolarHBondContact N-O 3.07Å; R125-T137 PolarHBondContact O-N 2.98Å; T137-V158 WeakPolarHBondContact CA-O 3.46Å
138V93.3Very high86.7Confident1 Ų160.7 Ų60.71%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-137.3141.4175.463.90000110.6L80 M82 A96 I117 V124 V158L80-V138 HydrophobicContact CD1-CG1 4.31Å; L80-V138 HydrophobicContact CD2-CG1 4.33Å; M82-V138 HydrophobicContact CE-CG1 4.3Å; A96-V138 HydrophobicContact CB-CG2 4.49Å; I117-V138 HydrophobicContact CD1-CG1 4.18Å; I117-V138 HydrophobicContact CD1-CG2 4.01Å; V124-V138 HydrophobicContact CG2-CB 4.04Å; V124-V138 HydrophobicContact CG2-CG2 4.07Å; V138-V158 HydrophobicContact CG1-CB 3.91Å; V138-V158 HydrophobicContact CG1-CG2 4.44Å; V138-V158 PolarHBondContact N-O 3.11Å; V138-V158 PolarHBondContact O-N 3.01Å
139R93.1Very high87.2Confident128 Ų12866.1 Ų66.148%0.48331%0.31SS..EExtended strand (participates in β ladder)trans-96.4133.3176.1-62.4175.977.3172.78.4108.6K97 L155 S156K97-R139 HydrophobicContact CB-CB 3.78Å; K97-R139 WeakPolarHBondContact CB-O 3.36Å; K97-R139 HydrophobicContact CD-CB 4.05Å; K97-R139 PolarHBondContact N-O 3.01Å; R139-L155 HydrophobicContact CB-CD1 4.33Å; R139-S156 CarbonylContact C-O 3.6Å; R139-S156 WeakPolarHBondContact CA-O 3.37Å
140V94.7Very high87.5Confident2 Ų267 Ų671%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-126141.4179.6-59.50000111.4M82 L94 Y95 L115 I117 S156 V158M82-V140 HydrophobicContact CE-CG1 3.82Å; M82-V140 HydrophobicContact SD-CG1 3.91Å; M82-V140 HydrophobicContact SD-CG2 4.46Å; L94-V140 HydrophobicContact CD1-CB 4.18Å; L94-V140 HydrophobicContact CD1-CG2 4.15Å; Y95-V140 CarbonylContact O-C 3.06Å; Y95-V140 VanDerWaalsContact O-CA 3.3Å; Y95-V140 WeakPolarHBondContact O-CA 3.37Å; L115-V140 HydrophobicContact CD2-CG1 4.45Å; I117-V140 HydrophobicContact CD1-CG1 4.14Å; V140-S156 PolarHBondContact N-O 2.78Å; V140-S156 PolarHBondContact O-N 3.15Å; V140-V158 HydrophobicContact CG1-CG2 4.07Å; V140-V158 HydrophobicContact CG2-CG2 3.67Å
141M93.2Very high87.9Confident25 Ų2563.4 Ų63.412%0.12331%0.31CS..EExtended strand (participates in β ladder)trans-108123.1178.1-170.568.976.200109.7L94 Y95 D153 L155L94-M141 WeakPolarHBondContact CA-O 3.47Å; Y95-M141 HydrophobicContact CD1-CB 4.28Å; Y95-M141 HydrophobicContact CD2-CB 4.41Å; Y95-M141 HydrophobicContact CE1-CB 3.81Å; Y95-M141 HydrophobicContact CE1-CG 3.91Å; Y95-M141 HydrophobicContact CE2-CB 3.94Å; Y95-M141 PolarHBondContact N-O 3.05Å; Y95-M141 PolarHBondContact O-N 3.01Å; M141-D153 HydrophobicContact SD-CB 4.2Å; M141-L155 HydrophobicContact CE-CB 4.08Å; M141-L155 HydrophobicContact CE-CD1 3.97Å; M141-L155 HydrophobicContact CE-CD2 4.48Å; M141-L155 HydrophobicContact CE-CG 4.4Å; M141-L155 HydrophobicContact SD-CB 4.01Å; M141-L155 HydrophobicContact SD-CD1 4.44Å
142L94.7Very high88.4Confident3 Ų360 Ų602%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-98.493.4169.3-174.177.6000108.4I68 L86 F90 L93 L94 L113 I154I68-L142 HydrophobicContact CG1-CD2 4.17Å; L86-L142 HydrophobicContact CD1-CD1 4.29Å; L86-L142 HydrophobicContact CD1-CD2 4.43Å; L86-L142 HydrophobicContact CD2-CD2 3.7Å; F90-L142 HydrophobicContact CD1-CD1 4.39Å; F90-L142 HydrophobicContact CD2-CD1 4.47Å; F90-L142 HydrophobicContact CE1-CD1 3.67Å; F90-L142 HydrophobicContact CE2-CD1 3.76Å; F90-L142 HydrophobicContact CE2-CD2 4.31Å; F90-L142 HydrophobicContact CE2-CG 3.84Å; F90-L142 HydrophobicContact CZ-CD1 3.3Å; F90-L142 HydrophobicContact CZ-CG 3.76Å; L93-L142 CarbonylContact O-C 3.31Å; L94-L142 HydrophobicContact CB-CD1 4.05Å; L94-L142 HydrophobicContact CD1-CB 4.23Å; L94-L142 HydrophobicContact CD1-CD1 4.04Å; L113-L142 HydrophobicContact CD2-CD1 4.17Å; L142-I154 HydrophobicContact CB-CB 4.24Å; L142-I154 HydrophobicContact CD2-CD1 4.37Å; L142-I154 PolarHBondContact N-O 3.15Å; L142-I154 PolarHBondContact O-N 3.27Å; L142-I154 VanDerWaalsContact O-N 3.09Å
143Q94Very high89.4Confident19 Ų1959.9 Ų59.99%0.08929%0.289CS..EExtended strand (participates in β ladder)trans-85.2118.1178.7174.9179.6-2300110F90 G92 L93 Y95 E145 L148 D153F90-Q143 WeakPolarHBondContact CZ-O 3.22Å; G92-Q143 WeakPolarHBondContact CA-O 3.28Å; L93-Q143 HydrophobicContact CB-CB 4.45Å; L93-Q143 PolarHBondContact N-O 3.49Å; L93-Q143 PolarHBondContact O-N 3.09Å; Y95-Q143 HydrophobicContact CE1-CB 3.95Å; Q143-E145 WeakPolarHBondContact CG-O 3.08Å; Q143-E145 PolarHBondContact NE2-O 3.48Å; Q143-E145 PolarHBondContact O-N 3.5Å; Q143-L148 VanDerWaalsContact NE2-C 3.34Å; Q143-L148 PolarHBondContact NE2-O 2.88Å; Q143-D153 WeakPolarHBondContact CA-OD1 3.34Å
144K90.9Very high89.9Confident45 Ų4561.3 Ų61.320%0.19630%0.295CS..SBendtrans-66.9-40.9-172-65.3176.9-169.6169.10112.7M66 G92 T152 D153M66-K144 HydrophobicContact CB-CD 4.36Å; G92-K144 VanDerWaalsContact CA-O 3.24Å; G92-K144 WeakPolarHBondContact CA-O 3.42Å; K144-T152 WeakPolarHBondContact CE-O 3.19Å; K144-T152 VanDerWaalsContact NZ-CB 3.31Å; K144-T152 PolarHBondContact NZ-O 2.77Å; K144-T152 PolarHBondContact NZ-OG1 3.31Å; K144-D153 PolarHBondContact N-OD1 3.37Å
145E89.4Confident90.5Very high109 Ų10963.6 Ų63.651%0.50931%0.307SS..BIsolated β-bridgetrans-107.9126.1-177.8-68-58.8163.400112.3Q143 K147 L148Q143-E145 WeakPolarHBondContact CG-O 3.08Å; Q143-E145 PolarHBondContact NE2-O 3.48Å; Q143-E145 PolarHBondContact O-N 3.5Å; E145-K147 PolarHBondContact O-N 2.65Å; E145-L148 PolarHBondContact O-N 2.71Å; E145-L148 VanDerWaalsContact O-O 3.13Å
146Q86.3Confident90.6Very high51 Ų5164.1 Ų64.124%0.23831%0.313CS..THydrogen-bonded Turntrans-56.8-21.5-171.8-65-176.9-10.900115.6R91 L93R91-Q146 VanDerWaalsContact O-CD 3.28Å; R91-Q146 WeakPolarHBondContact O-CG 3.45Å; R91-Q146 PolarHBondContact O-NE2 2.67Å; L93-Q146 WeakPolarHBondContact CD1-O 3.29Å
147K85.6Confident90.7Very high204 Ų20466.5 Ų66.589%0.88733%0.331SS*.THydrogen-bonded Turntrans-119-7.7-172.9-62.8-175.4-179.2179.60114.4E145E145-K147 PolarHBondContact O-N 2.65Å
148L87.6Confident90.8Very high110 Ų11065.6 Ų65.658%0.57633%0.326SS*.BIsolated β-bridgetrans-141125.3-174.5-174.568.9000110Q143 E145Q143-L148 VanDerWaalsContact NE2-C 3.34Å; Q143-L148 PolarHBondContact NE2-O 2.88Å; E145-L148 PolarHBondContact O-N 2.71Å; E145-L148 VanDerWaalsContact O-O 3.13Å
149R86.7Confident90.9Very high179 Ų17972.9 Ų72.968%0.67535%0.353SS*.  trans-81.2130.4168.9-166.6-174.571-1772109.2D153R149-D153 VanDerWaalsContact CA-OD2 3.28Å; R149-D153 WeakPolarHBondContact CA-OD2 3.5Å; R149-D153 WeakPolarHBondContact CG-OD2 3.1Å
150Q87.1Confident90.9Very high73 Ų7367.6 Ų67.634%0.34134%0.336SS..  trans-113.2158179.8-60.8-176.41.900110.8T152 D153Q150-T152 PolarHBondContact O-N 3.46Å; Q150-T152 PolarHBondContact OE1-OG1 2.84Å; Q150-D153 PolarHBondContact N-OD2 2.91Å; Q150-D153 WeakPolarHBondContact O-CB 3.24Å; Q150-D153 PolarHBondContact O-N 2.76Å
151S86.6Confident90.8Very high129 Ų12972.7 Ų72.790%0.90236%0.36SS*.THydrogen-bonded Turntrans-62.8-17.5169.753.20000113.3
152T86.9Confident90.5Very high68 Ų6871.5 Ų71.542%0.41735%0.354SS..THydrogen-bonded Turntrans-88.8-417984.30000113.6K144 Q150K144-T152 WeakPolarHBondContact CE-O 3.19Å; K144-T152 VanDerWaalsContact NZ-CB 3.31Å; K144-T152 PolarHBondContact NZ-O 2.77Å; K144-T152 PolarHBondContact NZ-OG1 3.31Å; Q150-T152 PolarHBondContact O-N 3.46Å; Q150-T152 PolarHBondContact OE1-OG1 2.84Å
153D91.9Very high90Very high19 Ų1974.4 Ų74.410%0.10237%0.372CS..  trans-63.2149.3176-68.5-27.6000111.4M141 Q143 K144 R149 Q150M141-D153 HydrophobicContact SD-CB 4.2Å; Q143-D153 WeakPolarHBondContact CA-OD1 3.34Å; K144-D153 PolarHBondContact N-OD1 3.37Å; R149-D153 VanDerWaalsContact CA-OD2 3.28Å; R149-D153 WeakPolarHBondContact CA-OD2 3.5Å; R149-D153 WeakPolarHBondContact CG-OD2 3.1Å; Q150-D153 PolarHBondContact N-OD2 2.91Å; Q150-D153 WeakPolarHBondContact O-CB 3.24Å; Q150-D153 PolarHBondContact O-N 2.76Å
154I92.3Very high89.1Confident45 Ų4574.7 Ų74.723%0.23138%0.378CS..EExtended strand (participates in β ladder)trans-101.4115.6-171-63.5168.1000109.8M66 I68 L142M66-I154 WeakPolarHBondContact O-CD1 3.36Å; I68-I154 HydrophobicContact CD1-CG2 4Å; L142-I154 HydrophobicContact CB-CB 4.24Å; L142-I154 HydrophobicContact CD2-CD1 4.37Å; L142-I154 PolarHBondContact N-O 3.15Å; L142-I154 PolarHBondContact O-N 3.27Å; L142-I154 VanDerWaalsContact O-N 3.09Å
155L93.1Very high88.1Confident72 Ų7277.8 Ų77.838%0.37740%0.397SS..EExtended strand (participates in β ladder)trans-93118.2169179.959.3000109.4K97 R139 M141K97-L155 HydrophobicContact CB-CD1 4.28Å; K97-L155 HydrophobicContact CD-CD1 4.2Å; K97-L155 HydrophobicContact CG-CD1 4.2Å; R139-L155 HydrophobicContact CB-CD1 4.33Å; M141-L155 HydrophobicContact CE-CB 4.08Å; M141-L155 HydrophobicContact CE-CD1 3.97Å; M141-L155 HydrophobicContact CE-CD2 4.48Å; M141-L155 HydrophobicContact CE-CG 4.4Å; M141-L155 HydrophobicContact SD-CB 4.01Å; M141-L155 HydrophobicContact SD-CD1 4.44Å
156S92.4Very high87Confident29 Ų2975 Ų7520%0.20339%0.392CS..EExtended strand (participates in β ladder)trans-113.7149.9176.6-171.80000111R139 V140R139-S156 CarbonylContact C-O 3.6Å; R139-S156 WeakPolarHBondContact CA-O 3.37Å; V140-S156 PolarHBondContact N-O 2.78Å; V140-S156 PolarHBondContact O-N 3.15Å
157S93.3Very high85.9Confident66 Ų6673.8 Ų73.846%0.46239%0.387SS..EExtended strand (participates in β ladder)trans-109.4116.3169.7-158.90000108.4
158V94.3Very high84.4Confident0 Ų066.5 Ų66.50%037%0.369CS..EExtended strand (participates in β ladder)trans-96.3131-179-166.80000108M71 V73 M82 T137 V138 V140M71-V158 HydrophobicContact CE-CB 4.48Å; M71-V158 HydrophobicContact CE-CG1 4.25Å; M71-V158 HydrophobicContact CE-CG2 4.15Å; M71-V158 HydrophobicContact SD-CG1 4.41Å; M71-V158 HydrophobicContact SD-CG2 3.86Å; V73-V158 HydrophobicContact CB-CG1 4.26Å; V73-V158 HydrophobicContact CG1-CG1 3.82Å; V73-V158 HydrophobicContact CG2-CG1 3.42Å; V73-V158 VanDerWaalsContact CG2-CG1 3.42Å; M82-V158 HydrophobicContact CE-CG2 4.27Å; M82-V158 HydrophobicContact SD-CG2 4.46Å; T137-V158 WeakPolarHBondContact CA-O 3.46Å; V138-V158 HydrophobicContact CG1-CB 3.91Å; V138-V158 HydrophobicContact CG1-CG2 4.44Å; V138-V158 PolarHBondContact N-O 3.11Å; V138-V158 PolarHBondContact O-N 3.01Å; V140-V158 HydrophobicContact CG1-CG2 4.07Å; V140-V158 HydrophobicContact CG2-CG2 3.67Å
159R94.1Very high82.6Confident155 Ų15562.8 Ų62.859%0.58535%0.35SS*.EExtended strand (participates in β ladder)trans-119.1142.8172-62.3180-176.2-122.66.1108.8E135 Y136E135-R159 HydrophobicContact CG-CB 4.5Å; E135-R159 WeakPolarHBondContact OE2-CD 3.21Å; E135-R159 IonicContact OE2-CZ 2.87Å; E135-R159 IonicContact OE2-NE 3.12Å; E135-R159 IonicContact OE2-NH1 3.02Å; E135-R159 PolarHBondContact OE2-NH1 3.15Å; Y136-R159 CarbonylContact O-C 3.52Å; Y136-R159 VanDerWaalsContact O-CA 3.3Å; Y136-R159 WeakPolarHBondContact O-CA 3.5Å
160C93.8Very high80.6Confident16 Ų1658.5 Ų58.511%0.10835%0.345CS..EExtended strand (participates in β ladder)trans-145.8126171.9-170.90000110V73 C75 L80 Y136V73-C160 HydrophobicContact CG1-CB 3.77Å; C75-C160 HydrophobicContact CB-CB 3.73Å; C75-C160 WeakPolarHBondContact CB-SG 3.04Å; C75-C160 PolarHBondContact N-SG 3.08Å; C75-C160 VanDerWaalsContact SG-C 3.56Å; C75-C160 WeakPolarHBondContact SG-CB 3.35Å; C75-C160 CovalentContact SG-SG 2.04Å; C75-C160 PolarHBondContact SG-SG 3.14Å; L80-C160 HydrophobicContact CD1-CB 4.14Å; Y136-C160 PolarHBondContact N-O 3.07Å; Y136-C160 PolarHBondContact O-N 3.01Å
161Q92.1Very high78.4Confident110 Ų11060.6 Ų60.651%0.51436%0.358SS..EExtended strand (participates in β ladder)trans-92.6114.7179.9-67.1179.9-400109.5E135 P163E135-Q161 HydrophobicContact CB-CG 4.26Å; E135-Q161 HydrophobicContact CG-CG 4.23Å; E135-Q161 WeakPolarHBondContact OE1-CG 3.43Å; E135-Q161 PolarHBondContact OE1-NE2 3.1Å; Q161-P163 VanDerWaalsContact O-CD 3.3Å; Q161-P163 WeakPolarHBondContact O-CD 3.45Å
162L87.9Confident76.3Confident0 Ų059.6 Ų59.60%035%0.348CS..EExtended strand (participates in β ladder)trans-87.1109.5173.5-174.566.8000108.6C75 S133 L134 Y136 A166 M167C75-L162 WeakPolarHBondContact O-CD1 2.97Å; S133-L162 WeakPolarHBondContact CB-O 3.47Å; L134-L162 PolarHBondContact N-O 2.91Å; L134-L162 PolarHBondContact O-N 3.33Å; Y136-L162 HydrophobicContact CD2-CB 4.33Å; Y136-L162 HydrophobicContact CE2-CB 4.04Å; Y136-L162 HydrophobicContact CE2-CD2 3.74Å; Y136-L162 HydrophobicContact CE2-CG 4.46Å; L162-A166 HydrophobicContact CD1-CB 3.6Å; L162-A166 HydrophobicContact CG-CB 4.37Å; L162-M167 HydrophobicContact CD2-CG 3.6Å; L162-M167 HydrophobicContact CD2-SD 4.45Å; L162-M167 HydrophobicContact CG-CG 3.88Å
163P84.4Confident74.2Confident63 Ų6362.2 Ų62.241%0.40936%0.364SS..  trans-68.8153.3179.729.7-36000110.8Q161 N165 A166 M167Q161-P163 VanDerWaalsContact O-CD 3.3Å; Q161-P163 WeakPolarHBondContact O-CD 3.45Å; P163-N165 VanDerWaalsContact C-N 3.26Å; P163-N165 VanDerWaalsContact CB-OD1 3.29Å; P163-N165 WeakPolarHBondContact CB-OD1 3.46Å; P163-N165 VanDerWaalsContact CG-OD1 3.29Å; P163-N165 WeakPolarHBondContact CG-OD1 3.41Å; P163-N165 PolarHBondContact O-N 2.81Å; P163-N165 VanDerWaalsContact O-N 3.14Å; P163-A166 HydrophobicContact CG-CB 3.94Å; P163-A166 PolarHBondContact O-N 3.5Å; P163-M167 PolarHBondContact O-N 2.82Å
164A74.2Confident71.8Confident25 Ų2568.9 Ų68.921%0.20740%0.399CS..G310 helixtrans-55.7-38.7-171.200000113.4A166 M167 M169A164-A166 PolarHBondContact O-N 3.31Å; A164-M167 HydrophobicContact CB-CE 4.36Å; A164-M167 WeakPolarHBondContact O-CB 3.49Å; A164-M167 PolarHBondContact O-N 2.86Å; A164-M169 WeakPolarHBondContact O-CB 3.13Å
165N69.9Low69.3Low111 Ų11176.7 Ų76.759%0.59443%0.425SS*.G310 helixtrans-59.6-43.3176.559.1-14.1000113.1P163 M167 G168 M169P163-N165 VanDerWaalsContact C-N 3.26Å; P163-N165 VanDerWaalsContact CB-OD1 3.29Å; P163-N165 WeakPolarHBondContact CB-OD1 3.46Å; P163-N165 VanDerWaalsContact CG-OD1 3.29Å; P163-N165 WeakPolarHBondContact CG-OD1 3.41Å; P163-N165 PolarHBondContact O-N 2.81Å; P163-N165 VanDerWaalsContact O-N 3.14Å; N165-M167 PolarHBondContact O-N 2.9Å; N165-G168 PolarHBondContact O-N 3.42Å; N165-G168 VanDerWaalsContact O-N 3.13Å; N165-M169 WeakPolarHBondContact CA-O 3.01Å; N165-M169 PolarHBondContact O-N 2.82Å; N165-M169 VanDerWaalsContact O-N 3.13Å
166A67Low67Low49 Ų4982.2 Ų82.241%0.40545%0.449SS..G310 helixtrans-71-12.8179.800000113.7L162 P163 A164 G168L162-A166 HydrophobicContact CD1-CB 3.6Å; L162-A166 HydrophobicContact CG-CB 4.37Å; P163-A166 HydrophobicContact CG-CB 3.94Å; P163-A166 PolarHBondContact O-N 3.5Å; A164-A166 PolarHBondContact O-N 3.31Å; A166-G168 PolarHBondContact O-N 2.87Å
167M62.5Low64.6Low27 Ų2788.9 Ų88.913%0.13348%0.477CS..G310 helixtrans-72.85.5167.7-58.4-157.7-105.200113.6G132 L134 L162 P163 A164 N165 M169G132-M167 VanDerWaalsContact O-CE 3.27Å; G132-M167 WeakPolarHBondContact O-CE 3.36Å; L134-M167 HydrophobicContact CB-CE 4.07Å; L134-M167 HydrophobicContact CB-SD 3.99Å; L134-M167 HydrophobicContact CD2-SD 4.18Å; L162-M167 HydrophobicContact CD2-CG 3.6Å; L162-M167 HydrophobicContact CD2-SD 4.45Å; L162-M167 HydrophobicContact CG-CG 3.88Å; P163-M167 PolarHBondContact O-N 2.82Å; A164-M167 HydrophobicContact CB-CE 4.36Å; A164-M167 WeakPolarHBondContact O-CB 3.49Å; A164-M167 PolarHBondContact O-N 2.86Å; N165-M167 PolarHBondContact O-N 2.9Å; M167-M169 HydrophobicContact CB-CG 4.28Å
168G54Low62.3Low50 Ų5095.9 Ų95.952%0.51550%0.499SS..THydrogen-bonded Turntrans86.624.7-173.300000113.5N165 A166 P170 R213N165-G168 PolarHBondContact O-N 3.42Å; N165-G168 VanDerWaalsContact O-N 3.13Å; A166-G168 PolarHBondContact O-N 2.87Å; G168-P170 WeakPolarHBondContact O-CD 3.44Å; G168-R213 PolarHBondContact O-NH1 3.17Å
169M50.4Low60.1Low33 Ų3398.2 Ų98.216%0.16352%0.524CS..  trans-121.588.3-169.3-58-81.9-73.800114.1A164 N165 M167 L171 R213A164-M169 WeakPolarHBondContact O-CB 3.13Å; N165-M169 WeakPolarHBondContact CA-O 3.01Å; N165-M169 PolarHBondContact O-N 2.82Å; N165-M169 VanDerWaalsContact O-N 3.13Å; M167-M169 HydrophobicContact CB-CG 4.28Å; M169-L171 PolarHBondContact O-N 3.09Å; M169-R213 HydrophobicContact CE-CB 4.03Å; M169-R213 HydrophobicContact CE-CG 4.33Å; M169-R213 HydrophobicContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CD 3.56Å; M169-R213 HydrophobicContact SD-CG 3.49Å; M169-R213 WeakPolarHBondContact SD-CG 3.32Å; M169-R213 PolarHBondContact SD-NH1 3.48Å
170P43.4Very low58Low89 Ų8999.4 Ų99.458%0.57854%0.535SS*.  trans-67.7102.9142.130.3-29.9000107.7G168G168-P170 WeakPolarHBondContact O-CD 3.44Å
171L42.3Very low56.1Low117 Ų117106 Ų10661%0.61357%0.569SS**  trans-64.2127.2156.6-84.9138.1000107M169 V173M169-L171 PolarHBondContact O-N 3.09Å; L171-V173 PolarHBondContact O-N 2.9Å
172P42.3Very low54.4Low108 Ų108109.8 Ų109.870%0.70158%0.579SS**  trans-63.7110.7165.926.8-31000107L174P172-L174 PolarHBondContact O-N 2.79Å
173V42.4Very low53Low123 Ų123116 Ų11675%0.74561%0.612SS**  trans-59107.3165.9175.80000105.8L171 R175L171-V173 PolarHBondContact O-N 2.9Å; V173-R175 PolarHBondContact O-N 2.87Å
174L41.1Very low51.6Low158 Ų158116.7 Ų116.783%0.82762%0.623SS**  trans-61.593.2166.1-74.2176.6000106.5P172 Q176P172-L174 PolarHBondContact O-N 2.79Å; L174-Q176 PolarHBondContact O-N 3.18Å
175R40.2Very low50.7Low209 Ų209126.2 Ų126.279%0.78965%0.653SS**  trans-58.9108.3170.1-66.6-177.492.490.5-5.1105.4V173 E177V173-R175 PolarHBondContact O-N 2.87Å; R175-E177 PolarHBondContact O-N 3.27Å
176Q44.6Very low49.9Very low188 Ų188127.2 Ų127.288%0.87966%0.656SS**  trans-72.976.1173.8-167165.211.500107.5L174 K178L174-Q176 PolarHBondContact O-N 3.18Å; Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 3.2Å
177E41.7Very low49.4Very low169 Ų169132 Ų13279%0.7966%0.664SS**  trans-64.895.2170-75.5-144.3144.700108.6R175 G179R175-E177 PolarHBondContact O-N 3.27Å; E177-G179 PolarHBondContact O-N 3.28Å
178K46.4Very low49Very low213 Ų213134 Ų13493%0.92668%0.684SS**  trans-64.579166.7-173.5-176.3-175.7-179.30108.5Q176Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 3.2Å
179G47.4Very low48.8Very low50 Ų50137.3 Ų137.352%0.51569%0.69SS.*  trans-166.872-166.300000117.1E177E177-G179 PolarHBondContact O-N 3.28Å
180H50.6Low48.8Very low179 Ų179139 Ų13983%0.82971%0.709SS**  trans63.7139.1156-73.472.1000119.7R182H180-R182 PolarHBondContact O-N 3.18Å
181D53.3Low49.1Very low154 Ų154138.2 Ų138.282%0.82471%0.71SS**  trans-55.9121.8170.1-92.6-51.7000112
182R56.7Low49.3Very low191 Ų191135.6 Ų135.672%0.72171%0.705SS**  trans-128.8121.6161.8-71-173.7175.6173.9-0108.3H180 A184 R187H180-R182 PolarHBondContact O-N 3.18Å; R182-A184 PolarHBondContact O-N 2.85Å; R182-R187 PolarHBondContact O-NH1 2.78Å
183N58Low49.4Very low131 Ų131134.5 Ų134.570%0.70171%0.705SS**  trans-47.8132.6-168.1-55.1-14.1000112.2R185 M186N183-R185 PolarHBondContact O-N 2.7Å; N183-M186 PolarHBondContact O-N 2.94Å
184A55.7Low49.5Very low76 Ų76132.4 Ų132.463%0.62870%0.701SS**Hα-helixtrans-51.6-29.7-171.900000114.4R182 M186 R187R182-A184 PolarHBondContact O-N 2.85Å; A184-M186 VanDerWaalsContact C-N 3.27Å; A184-M186 PolarHBondContact O-N 3.44Å; A184-R187 PolarHBondContact O-N 2.95Å; A184-R187 VanDerWaalsContact O-N 3.16Å
185R54.6Low49.6Very low225 Ų225129.9 Ų129.985%0.84969%0.692SS**Hα-helixtrans-62.3-25.5178.9-156.4171.5-173.8171.51.2114.5N183N183-R185 PolarHBondContact O-N 2.7Å
186M53.9Low49.5Very low132 Ų132125.6 Ų125.665%0.6569%0.691SS**Hα-helixtrans-86.1-19.1176.5-71.9-116.7-72.700113.6N183 A184 L189 A190N183-M186 PolarHBondContact O-N 2.94Å; A184-M186 VanDerWaalsContact C-N 3.27Å; A184-M186 PolarHBondContact O-N 3.44Å; M186-L189 PolarHBondContact O-N 2.76Å; M186-A190 PolarHBondContact O-N 2.91Å; M186-A190 VanDerWaalsContact O-N 3.1Å
187R56.8Low49.2Very low150 Ų150121.1 Ų121.157%0.56669%0.686SS**Hα-helixtrans-67.8-36.2176.7-67.3-172.9177.4111.31.6111.9R182 A184 A190 A191R182-R187 PolarHBondContact O-NH1 2.78Å; A184-R187 PolarHBondContact O-N 2.95Å; A184-R187 VanDerWaalsContact O-N 3.16Å; R187-A190 PolarHBondContact O-N 2.92Å; R187-A191 WeakPolarHBondContact O-CB 2.99Å; R187-A191 PolarHBondContact O-N 3.42Å
188A52.6Low48.9Very low68 Ų68121.6 Ų121.656%0.56269%0.693SS**Hα-helixtrans-64-38.517500000112.8A192A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 3.49Å
189L49.9Very low48.3Very low121 Ų121114.9 Ų114.963%0.63468%0.684SS**Hα-helixtrans-73.3-37.2178.5-68.9171.5000112.3M186 A192 A193M186-L189 PolarHBondContact O-N 2.76Å; L189-A192 PolarHBondContact O-N 2.78Å; L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.35Å; L189-A193 PolarHBondContact O-N 3.48Å
190A50Low48.1Very low69 Ų69117.4 Ų117.457%0.5770%0.7SS**Hα-helixtrans-66.9-37.517300000112.4M186 R187 A193 A194M186-A190 PolarHBondContact O-N 2.91Å; M186-A190 VanDerWaalsContact O-N 3.1Å; R187-A190 PolarHBondContact O-N 2.92Å; A190-A193 PolarHBondContact O-N 2.02Å; A190-A194 PolarHBondContact O-N 3.45Å
191A50.7Low47.3Very low72 Ų72115.5 Ų115.560%0.59570%0.701SS**Hα-helixtrans-68.2-35.3173.900000112.7R187R187-A191 WeakPolarHBondContact O-CB 2.99Å; R187-A191 PolarHBondContact O-N 3.42Å
192A47.2Very low46.7Very low62 Ų62114.2 Ų114.251%0.51270%0.704SS.*Hα-helixtrans-74.4-32.4174.500000113.2A188 L189 A194 V195A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 3.49Å; L189-A192 PolarHBondContact O-N 2.78Å; A192-A194 PolarHBondContact O-N 2.95Å; A192-V195 WeakPolarHBondContact O-CG2 3.18Å; A192-V195 PolarHBondContact O-N 3.01Å
193A44.8Very low45.7Very low85 Ų85109.7 Ų109.770%0.70270%0.702SS**THydrogen-bonded Turntrans-73.8-9.3176.900000113.9L189 A190 V195L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.35Å; L189-A193 PolarHBondContact O-N 3.48Å; A190-A193 PolarHBondContact O-N 2.02Å; A193-V195 PolarHBondContact O-N 3.1Å
194A44.3Very low44.9Very low79 Ų79111.7 Ų111.765%0.65371%0.711SS**THydrogen-bonded Turntrans-83.38.5172.200000113.5A190 A192 P196A190-A194 PolarHBondContact O-N 3.45Å; A192-A194 PolarHBondContact O-N 2.95Å; A194-P196 WeakPolarHBondContact O-CD 3.37Å
195V42.3Very low43.9Very low105 Ų105114.7 Ų114.764%0.63672%0.717SS**SBendtrans-87.7112.8171.2179.80000109.4A192 A193 A197A192-V195 WeakPolarHBondContact O-CG2 3.18Å; A192-V195 PolarHBondContact O-N 3.01Å; A193-V195 PolarHBondContact O-N 3.1Å; V195-A197 PolarHBondContact O-N 2.74Å
196P38.6Very low43Very low119 Ų119112.5 Ų112.577%0.77372%0.716SS**  trans-71.8111.2171.628.7-32000109.8A194A194-P196 WeakPolarHBondContact O-CD 3.37Å
197A37.2Very low42.3Very low93 Ų93115.5 Ų115.577%0.76973%0.728SS**  trans-69.6146.7168.300000110.6V195 G199V195-A197 PolarHBondContact O-N 2.74Å; A197-G199 PolarHBondContact O-N 2.84Å
198L36.1Very low41.7Very low180 Ų180116.5 Ų116.594%0.94274%0.739SS**  trans-67.4128-168.3-68.890.9000113.6
199G33.5Very low41Very low71 Ų71124.3 Ų124.373%0.73275%0.754SS**  trans-113.7126.8149.200000108.4A197 T201A197-G199 PolarHBondContact O-N 2.84Å; G199-T201 PolarHBondContact O-N 3.24Å
200A43.2Very low40.7Very low104 Ų104125.4 Ų125.486%0.8676%0.756SS**  trans-80.9110-167.800000113.6
201T33.6Very low40.5Very low139 Ų139126.5 Ų126.585%0.85376%0.756SS**  trans-143.4138.6147.443.70000110.3G199 S203G199-T201 PolarHBondContact O-N 3.24Å; T201-S203 PolarHBondContact O-N 2.94Å
202S41.8Very low40.4Very low126 Ų126126.7 Ų126.788%0.88175%0.751SS**  trans-69.8121.1-172.550.70000113.3
203S35.1Very low40.9Very low97 Ų97127.1 Ų127.168%0.67874%0.739SS**  trans-142.5133.4152.258.70000110.4T201 N205T201-S203 PolarHBondContact O-N 2.94Å; S203-N205 PolarHBondContact O-N 3.47Å
204I40.2Very low41.5Very low173 Ų173125.5 Ų125.589%0.88772%0.721SS**  trans-77.5103.3-179-62.9160.9000107.1
205N35.1Very low42.2Very low139 Ų139124.6 Ų124.674%0.74370%0.7SS**  trans-122120.8171.5-99.1-45.9000110.2S203 Q207S203-N205 PolarHBondContact O-N 3.47Å; N205-Q207 PolarHBondContact O-N 3.33Å
206Q36.9Very low43.4Very low179 Ų179124.6 Ų124.684%0.83670%0.696SS**  trans-63.4117.1179.1-69.8165.7-35.400109.1Q208Q206-Q208 PolarHBondContact O-N 2.77Å
207Q39.4Very low44.8Very low194 Ų194120.8 Ų120.891%0.90767%0.666SS**  trans-67.984.1163-77.4177.1-40.900108.4N205 R209N205-Q207 PolarHBondContact O-N 3.33Å; Q207-R209 PolarHBondContact O-N 2.8Å
208Q43.3Very low46.3Very low171 Ų171120.8 Ų120.880%0.79965%0.652SS**  trans-61.9101.6172.8-175.8167-9.900107.8Q206 E210Q206-Q208 PolarHBondContact O-N 2.77Å; Q208-E210 PolarHBondContact O-N 2.87Å
209R37.5Very low47.8Very low232 Ų232114.9 Ų114.988%0.87562%0.62SS**  trans-57.2102.9169.9-72.8177.1172.5165-2.9107.4Q207 T211Q207-R209 PolarHBondContact O-N 2.8Å; R209-T211 PolarHBondContact O-N 2.82Å
210E45.1Very low49.2Very low145 Ų145115.2 Ų115.268%0.67861%0.605SS**  trans-58.1111.6173.6-70.8-156.5163.100108.2Q208 R213Q208-E210 PolarHBondContact O-N 2.87Å; E210-R213 IonicContact OE1-NH2 3.85Å; E210-R213 IonicContact OE2-NH2 3.02Å; E210-R213 PolarHBondContact OE2-NH2 3.05Å
211T43.8Very low49.9Very low92 Ų92111.2 Ų111.256%0.56457%0.573SS**  trans-66.6133.8179.347.40000108.7R209 R213R209-T211 PolarHBondContact O-N 2.82Å; T211-R213 PolarHBondContact O-N 3.14Å
212P49.4Very low50.9Low75 Ų75105.2 Ų105.249%0.48754%0.539SS..  trans-58.3141.5-178.221.2-31.6000111V214 P244 I247P212-V214 PolarHBondContact O-N 2.71Å; P212-P244 HydrophobicContact CB-CG 4.28Å; P212-I247 HydrophobicContact CB-CD1 3.41Å; P212-I247 VanDerWaalsContact CB-CD1 3.41Å; P212-I247 HydrophobicContact CG-CD1 3.66Å
213R58.2Low51.3Low71 Ų71104.3 Ų104.327%0.26853%0.53SS..  trans-79.980.1-163.1-65.4175.7-175.8-68-5.4111G168 M169 E210 T211G168-R213 PolarHBondContact O-NH1 3.17Å; M169-R213 HydrophobicContact CE-CB 4.03Å; M169-R213 HydrophobicContact CE-CG 4.33Å; M169-R213 HydrophobicContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CD 3.56Å; M169-R213 HydrophobicContact SD-CG 3.49Å; M169-R213 WeakPolarHBondContact SD-CG 3.32Å; M169-R213 PolarHBondContact SD-NH1 3.48Å; E210-R213 IonicContact OE1-NH2 3.85Å; E210-R213 IonicContact OE2-NH2 3.02Å; E210-R213 PolarHBondContact OE2-NH2 3.05Å; T211-R213 PolarHBondContact O-N 3.14Å
214V56.2Low52.2Low51 Ų51106.2 Ų106.231%0.30953%0.533SS..  trans-103.4119.4-175.11760000110.8P212 I216 I242 V243P212-V214 PolarHBondContact O-N 2.71Å; V214-I216 HydrophobicContact CG1-CD1 3.7Å; V214-I216 HydrophobicContact CG1-CG1 3.66Å; V214-I242 WeakPolarHBondContact CA-O 3.42Å; V214-V243 HydrophobicContact CB-CG1 4.37Å; V214-V243 HydrophobicContact CG1-CG1 3.85Å; V214-V243 HydrophobicContact CG2-CG1 3.92Å
215R60.3Low52.7Low60 Ų60100.9 Ų100.923%0.22652%0.52CS..EExtended strand (participates in β ladder)trans-103.8129.6166.2-56.6176.4174.3-162.3-6.6107.9G132 W217 A241 I242G132-R215 PolarHBondContact O-NH1 2.75Å; G132-R215 PolarHBondContact O-NH2 3.06Å; G132-R215 VanDerWaalsContact O-NH2 3.12Å; R215-W217 HydrophobicContact CB-CZ3 4.44Å; R215-A241 CarbonylContact O-C 3.54Å; R215-A241 VanDerWaalsContact O-CA 3.23Å; R215-A241 WeakPolarHBondContact O-CA 3.3Å; R215-I242 HydrophobicContact CB-CB 4.21Å; R215-I242 PolarHBondContact N-O 2.89Å; R215-I242 PolarHBondContact O-N 3.37Å
216I67.1Low53.5Low106 Ų10697.6 Ų97.654%0.54451%0.506SS..EExtended strand (participates in β ladder)trans-131.1137.6174.2-59.8166.5000107.5V214 V239 R240 A241V214-I216 HydrophobicContact CG1-CD1 3.7Å; V214-I216 HydrophobicContact CG1-CG1 3.66Å; I216-V239 HydrophobicContact CG2-CG1 3.92Å; I216-R240 WeakPolarHBondContact CA-O 3.35Å; I216-A241 HydrophobicContact CG1-CB 3.9Å
217W67.1Low54.4Low38 Ų3891.3 Ų91.314%0.14449%0.488CS..EExtended strand (participates in β ladder)trans-144.4159.8170.567.5103.9000110.4P128 R215 E219 R240 I242P128-W217 HydrophobicContact CG-CZ2 4.28Å; R215-W217 HydrophobicContact CB-CZ3 4.44Å; W217-E219 PolarHBondContact NE1-OE1 2.89Å; W217-R240 HydrophobicContact CD2-CB 3.85Å; W217-R240 VanDerWaalsContact CE2-CB 3.45Å; W217-R240 HydrophobicContact CE3-CB 4.24Å; W217-R240 HydrophobicContact CG-CB 4.45Å; W217-R240 HydrophobicContact CH2-CB 3.93Å; W217-R240 HydrophobicContact CZ2-CB 3.52Å; W217-R240 HydrophobicContact CZ2-CG 4.23Å; W217-R240 HydrophobicContact CZ3-CB 4.27Å; W217-R240 PolarHBondContact N-O 2.8Å; W217-R240 PolarHBondContact O-N 2.9Å; W217-I242 HydrophobicContact CH2-CD1 3.77Å; W217-I242 HydrophobicContact CH2-CG1 3.92Å; W217-I242 HydrophobicContact CZ3-CD1 3.75Å; W217-I242 HydrophobicContact CZ3-CG1 3.84Å
218L69.4Low55.5Low93 Ų9386 Ų8649%0.48747%0.473SS..EExtended strand (participates in β ladder)trans-114.9123.7-178.9179.171.2000109.2L220 L237 V239L218-L220 HydrophobicContact CD2-CD1 4.07Å; L218-L220 HydrophobicContact CG-CD1 4.12Å; L218-L237 HydrophobicContact CD1-CB 4.37Å; L218-V239 HydrophobicContact CD1-CG2 3.67Å
219E67.1Low56.5Low56 Ų5681 Ų8126%0.26245%0.454SS..EExtended strand (participates in β ladder)trans-106.9129.8172.6-73.6171.3-161.200109.2W217 T238 R240W217-E219 PolarHBondContact NE1-OE1 2.89Å; E219-T238 WeakPolarHBondContact CB-OG1 3.45Å; E219-T238 PolarHBondContact N-O 2.87Å; E219-T238 PolarHBondContact O-N 3.06Å; E219-T238 PolarHBondContact O-OG1 2.86Å; E219-R240 VanDerWaalsContact CD-CZ 3.47Å; E219-R240 VanDerWaalsContact CD-NH1 3.27Å; E219-R240 VanDerWaalsContact OE1-CD 3.29Å; E219-R240 WeakPolarHBondContact OE1-CD 3.38Å; E219-R240 IonicContact OE1-CZ 3.92Å; E219-R240 VanDerWaalsContact OE1-CZ 3.31Å; E219-R240 IonicContact OE1-NE 2.93Å; E219-R240 PolarHBondContact OE1-NE 3.13Å; E219-R240 IonicContact OE1-NH1 3.31Å; E219-R240 PolarHBondContact OE1-NH1 2.92Å; E219-R240 IonicContact OE2-CZ 3.31Å; E219-R240 IonicContact OE2-NE 2.72Å; E219-R240 PolarHBondContact OE2-NE 3.41Å; E219-R240 VanDerWaalsContact OE2-NE 3.12Å; E219-R240 IonicContact OE2-NH1 3.31Å; E219-R240 PolarHBondContact OE2-NH1 3.05Å; E219-R240 IonicContact OE2-NH2 3.49Å; E219-R240 PolarHBondContact OE2-NH2 2.77Å
220L64.5Low57.9Low79 Ų7977 Ų7741%0.41445%0.445SS..EExtended strand (participates in β ladder)trans-100.7106.6175.7-72.586.8000109.3L218 L237L218-L220 HydrophobicContact CD2-CD1 4.07Å; L218-L220 HydrophobicContact CG-CD1 4.12Å; L220-L237 HydrophobicContact CB-CD2 4.41Å; L220-L237 HydrophobicContact CD2-CD2 3.84Å; L220-L237 HydrophobicContact CG-CD2 3.64Å
221G57.5Low58.9Low19 Ų1975.6 Ų75.620%0.19645%0.446CS..EExtended strand (participates in β ladder)trans-103.3106.7179.400000112.9T236G221-T236 PolarHBondContact N-O 3.08Å; G221-T236 PolarHBondContact O-N 3.26Å
222G55Low59.9Low13 Ų1374 Ų7413%0.13445%0.448CS..  trans-69.4174.4148.400000110.8N224 G225G222-N224 PolarHBondContact O-N 2.8Å; G222-G225 PolarHBondContact O-N 3.07Å
223P50.2Low60.7Low107 Ų10772.6 Ų72.670%0.69544%0.438SS*.THydrogen-bonded Turntrans-56.4-19.8177.521.5-32.8000114.3V233P223-V233 HydrophobicContact CG-CG1 4.19Å
224N52.3Low61Low138 Ų13872.4 Ų72.474%0.73845%0.452SS*.THydrogen-bonded Turntrans-105.18.7178.1-60.2-21.1000113.9G222 T226G222-N224 PolarHBondContact O-N 2.8Å; N224-T226 HydrophobicContact CB-CG2 4.4Å; N224-T226 PolarHBondContact O-N 3.27Å; N224-T226 VanDerWaalsContact O-N 3.08Å
225G51.3Low61.4Low60 Ų6070.6 Ų70.662%0.61944%0.44SS*.  trans67.25.5-179.900000115.8G222G222-G225 PolarHBondContact O-N 3.07Å
226T51.4Low61.8Low71 Ų7170.2 Ų70.244%0.43645%0.445SS..  trans-75.513617950.70000111.3N224 S228N224-T226 HydrophobicContact CB-CG2 4.4Å; N224-T226 PolarHBondContact O-N 3.27Å; N224-T226 VanDerWaalsContact O-N 3.08Å; T226-S228 PolarHBondContact O-N 3.43Å
227G57.4Low61.9Low46 Ų4666.5 Ų66.547%0.47443%0.426SS..SBendtrans-71.636.917800000115.7
228S61.6Low61.9Low84 Ų8466 Ų6659%0.58743%0.428SS*.  trans-146.5139.6177.253.70000109T226T226-S228 PolarHBondContact O-N 3.43Å
229V65.1Low61.9Low65 Ų6562.8 Ų62.839%0.39441%0.411SS..  trans-123.5138.1-172167.70000110T235 A309V229-T235 HydrophobicContact CB-CG2 4.06Å; V229-T235 HydrophobicContact CG1-CG2 3.33Å; V229-T235 HydrophobicContact CG2-CG2 3.72Å; V229-A309 HydrophobicContact CG1-CB 4.47Å
230E65.3Low61.9Low149 Ų14964 Ų6470%0.69641%0.414SS*.  trans-90.4143.3172.5-67.5-178.517700111.2V233E230-V233 HydrophobicContact CB-CB 4.41Å; E230-V233 HydrophobicContact CB-CG2 3.8Å; E230-V233 PolarHBondContact O-N 3.17Å
231V67.6Low61.8Low114 Ų11460.6 Ų60.669%0.69140%0.396SS*.THydrogen-bonded Turntrans-66.3134.4180-177.80000109.9V233V231-V233 VanDerWaalsContact C-N 3.27Å; V231-V233 PolarHBondContact O-N 3Å
232G63.9Low62.1Low59 Ų5963.1 Ų63.161%0.60841%0.405SS*.THydrogen-bonded Turntrans81.7-6-17700000115.2
233V66.8Low62.5Low46 Ų4664 Ų6428%0.27941%0.408SS..SBendtrans-85.9137.3171.7-179.10000109.7P223 E230 V231 T235P223-V233 HydrophobicContact CG-CG1 4.19Å; E230-V233 HydrophobicContact CB-CB 4.41Å; E230-V233 HydrophobicContact CB-CG2 3.8Å; E230-V233 PolarHBondContact O-N 3.17Å; V231-V233 VanDerWaalsContact C-N 3.27Å; V231-V233 PolarHBondContact O-N 3Å; V233-T235 HydrophobicContact CG1-CG2 4.48Å; V233-T235 PolarHBondContact O-N 3.46Å
234A64.4Low63Low67 Ų6760.9 Ų60.955%0.55439%0.387SS*.EExtended strand (participates in β ladder)trans-70.6126172.900000109.9T308A234-T308 HydrophobicContact CB-CG2 4.32Å
235T65.1Low63.2Low12 Ų1258 Ų587%0.07439%0.391CS..EExtended strand (participates in β ladder)trans-128.2157.1-176.961.50000112.1V229 V233 A306 V307V229-T235 HydrophobicContact CB-CG2 4.06Å; V229-T235 HydrophobicContact CG1-CG2 3.33Å; V229-T235 HydrophobicContact CG2-CG2 3.72Å; V233-T235 HydrophobicContact CG1-CG2 4.48Å; V233-T235 PolarHBondContact O-N 3.46Å; T235-A306 CarbonylContact O-C 3.58Å; T235-A306 WeakPolarHBondContact O-CA 3.48Å; T235-V307 PolarHBondContact N-O 2.85Å; T235-V307 PolarHBondContact O-N 3.18Å; T235-V307 PolarHBondContact OG1-O 2.82Å; T235-V307 VanDerWaalsContact OG1-O 3.06Å
236T67.4Low63.5Low52 Ų5262 Ų6232%0.31940%0.398SS..EExtended strand (participates in β ladder)trans-120.5117.2-171.5-50.60000110.1G221 T238 L305G221-T236 PolarHBondContact N-O 3.08Å; G221-T236 PolarHBondContact O-N 3.26Å; T236-T238 HydrophobicContact CG2-CG2 4.06Å; T236-L305 CarbonylContact C-O 3.53Å; T236-L305 WeakPolarHBondContact CA-O 3.47Å
237L69.1Low63.9Low28 Ų2861.2 Ų61.215%0.14739%0.39CS..EExtended strand (participates in β ladder)trans-87.6110.1168.4-57.2178.5000107.8L218 L220 L267 L305 V307L218-L237 HydrophobicContact CD1-CB 4.37Å; L220-L237 HydrophobicContact CB-CD2 4.41Å; L220-L237 HydrophobicContact CD2-CD2 3.84Å; L220-L237 HydrophobicContact CG-CD2 3.64Å; L237-L267 HydrophobicContact CD1-CD1 4.14Å; L237-L305 HydrophobicContact CB-CB 4.32Å; L237-L305 PolarHBondContact N-O 2.88Å; L237-L305 PolarHBondContact O-N 2.96Å; L237-V307 HydrophobicContact CD1-CG2 3.92Å; L237-V307 HydrophobicContact CG-CG2 4.25Å
238T67.8Low64.1Low29 Ų2962.7 Ų62.718%0.17841%0.405CS..EExtended strand (participates in β ladder)trans-102.2110.4177.633.70000110.2E219 T236E219-T238 WeakPolarHBondContact CB-OG1 3.45Å; E219-T238 PolarHBondContact N-O 2.87Å; E219-T238 PolarHBondContact O-N 3.06Å; E219-T238 PolarHBondContact O-OG1 2.86Å; T236-T238 HydrophobicContact CG2-CG2 4.06Å
239V68.6Low64.5Low24 Ų2461.4 Ų61.415%0.14539%0.394CS..EExtended strand (participates in β ladder)trans-85.7121.7168.9-179.50000107.7I216 L218 V251 N303I216-V239 HydrophobicContact CG2-CG1 3.92Å; L218-V239 HydrophobicContact CD1-CG2 3.67Å; V239-V251 HydrophobicContact CB-CG2 3.93Å; V239-V251 HydrophobicContact CG1-CG2 4.1Å; V239-V251 HydrophobicContact CG2-CG1 4.37Å; V239-V251 HydrophobicContact CG2-CG2 3.87Å; V239-N303 PolarHBondContact N-O 2.79Å
240R67.2Low64.9Low83 Ų8367.4 Ų67.431%0.31341%0.409SS..EExtended strand (participates in β ladder)trans-110.8137.6175.4-71.1-174.1177175.9-5.9109.8I216 W217 E219I216-R240 WeakPolarHBondContact CA-O 3.35Å; W217-R240 HydrophobicContact CD2-CB 3.85Å; W217-R240 VanDerWaalsContact CE2-CB 3.45Å; W217-R240 HydrophobicContact CE3-CB 4.24Å; W217-R240 HydrophobicContact CG-CB 4.45Å; W217-R240 HydrophobicContact CH2-CB 3.93Å; W217-R240 HydrophobicContact CZ2-CB 3.52Å; W217-R240 HydrophobicContact CZ2-CG 4.23Å; W217-R240 HydrophobicContact CZ3-CB 4.27Å; W217-R240 PolarHBondContact N-O 2.8Å; W217-R240 PolarHBondContact O-N 2.9Å; E219-R240 VanDerWaalsContact CD-CZ 3.47Å; E219-R240 VanDerWaalsContact CD-NH1 3.27Å; E219-R240 VanDerWaalsContact OE1-CD 3.29Å; E219-R240 WeakPolarHBondContact OE1-CD 3.38Å; E219-R240 IonicContact OE1-CZ 3.92Å; E219-R240 VanDerWaalsContact OE1-CZ 3.31Å; E219-R240 IonicContact OE1-NE 2.93Å; E219-R240 PolarHBondContact OE1-NE 3.13Å; E219-R240 IonicContact OE1-NH1 3.31Å; E219-R240 PolarHBondContact OE1-NH1 2.92Å; E219-R240 IonicContact OE2-CZ 3.31Å; E219-R240 IonicContact OE2-NE 2.72Å; E219-R240 PolarHBondContact OE2-NE 3.41Å; E219-R240 VanDerWaalsContact OE2-NE 3.12Å; E219-R240 IonicContact OE2-NH1 3.31Å; E219-R240 PolarHBondContact OE2-NH1 3.05Å; E219-R240 IonicContact OE2-NH2 3.49Å; E219-R240 PolarHBondContact OE2-NH2 2.77Å
241A62.4Low65.3Low6 Ų661.6 Ų61.65%0.0538%0.384CS..EExtended strand (participates in β ladder)trans-139.6131.9-179.300000111.2R215 I216 V243 V249R215-A241 CarbonylContact O-C 3.54Å; R215-A241 VanDerWaalsContact O-CA 3.23Å; R215-A241 WeakPolarHBondContact O-CA 3.3Å; I216-A241 HydrophobicContact CG1-CB 3.9Å; A241-V243 HydrophobicContact CB-CG1 4.41Å; A241-V249 HydrophobicContact CB-CB 4.47Å; A241-V249 HydrophobicContact CB-CG1 4.03Å; A241-V249 HydrophobicContact CB-CG2 3.85Å
242I63.7Low65.9Low73 Ų7359 Ų5937%0.37437%0.368SS..EExtended strand (participates in β ladder)trans-101.8113.2166-62.4161.6000106.3V214 R215 W217V214-I242 WeakPolarHBondContact CA-O 3.42Å; R215-I242 HydrophobicContact CB-CB 4.21Å; R215-I242 PolarHBondContact N-O 2.89Å; R215-I242 PolarHBondContact O-N 3.37Å; W217-I242 HydrophobicContact CH2-CD1 3.77Å; W217-I242 HydrophobicContact CH2-CG1 3.92Å; W217-I242 HydrophobicContact CZ3-CD1 3.75Å; W217-I242 HydrophobicContact CZ3-CG1 3.84Å
243V63.6Low66.5Low32 Ų3259 Ų5919%0.19435%0.354CS..  trans-126.6152.4179.6-66.90000111.3V214 A241 I247 V249V214-V243 HydrophobicContact CB-CG1 4.37Å; V214-V243 HydrophobicContact CG1-CG1 3.85Å; V214-V243 HydrophobicContact CG2-CG1 3.92Å; A241-V243 HydrophobicContact CB-CG1 4.41Å; V243-I247 HydrophobicContact CB-CB 4.35Å; V243-I247 HydrophobicContact CB-CG2 4.43Å; V243-I247 HydrophobicContact CG1-CG2 4.45Å; V243-I247 WeakPolarHBondContact CG2-O 3.32Å; V243-V249 HydrophobicContact CB-CG2 4.26Å; V243-V249 HydrophobicContact CG1-CG2 3.41Å; V243-V249 VanDerWaalsContact CG1-CG2 3.41Å; V243-V249 HydrophobicContact CG2-CG2 3.84Å
244P61.3Low67Low40 Ų4058.3 Ų58.326%0.2635%0.351SS..  trans-57.2142.5164.6-2435.5000111.5P212 N246 I247P212-P244 HydrophobicContact CB-CG 4.28Å; P244-N246 WeakPolarHBondContact CB-OD1 3.24Å; P244-N246 PolarHBondContact O-N 2.9Å; P244-I247 HydrophobicContact CG-CD1 4.34Å; P244-I247 PolarHBondContact O-N 3.25Å
245G56.1Low67.6Low79 Ų7957.5 Ų57.581%0.81435%0.345SS*.THydrogen-bonded Turntrans-64.3-4.3-171.800000116.7
246N58.2Low68.1Low143 Ų14359 Ų5977%0.76536%0.358SS*.THydrogen-bonded Turntrans-94.66171.665.5-35000113.6P244P244-N246 WeakPolarHBondContact CB-OD1 3.24Å; P244-N246 PolarHBondContact O-N 2.9Å
247I60Low68.3Low55 Ų5561 Ų6128%0.28237%0.366SS..  trans-123122.2-176.7-61.8179.2000109.6P212 V243 P244P212-I247 HydrophobicContact CB-CD1 3.41Å; P212-I247 VanDerWaalsContact CB-CD1 3.41Å; P212-I247 HydrophobicContact CG-CD1 3.66Å; V243-I247 HydrophobicContact CB-CB 4.35Å; V243-I247 HydrophobicContact CB-CG2 4.43Å; V243-I247 HydrophobicContact CG1-CG2 4.45Å; V243-I247 WeakPolarHBondContact CG2-O 3.32Å; P244-I247 HydrophobicContact CG-CD1 4.34Å; P244-I247 PolarHBondContact O-N 3.25Å
248G61.5Low68.3Low76 Ų7663.2 Ų63.278%0.78438%0.378SS*.  trans-84.6146.5169.300000111.7
249V69.4Low68.1Low57 Ų5762 Ų6235%0.34537%0.372SS..  trans-108.2133.4175.5-178.30000109.6A241 V243A241-V249 HydrophobicContact CB-CB 4.47Å; A241-V249 HydrophobicContact CB-CG1 4.03Å; A241-V249 HydrophobicContact CB-CG2 3.85Å; V243-V249 HydrophobicContact CB-CG2 4.26Å; V243-V249 HydrophobicContact CG1-CG2 3.41Å; V243-V249 VanDerWaalsContact CG1-CG2 3.41Å; V243-V249 HydrophobicContact CG2-CG2 3.84Å
250R73.5Confident67.7Low192 Ų19264.8 Ų64.873%0.72539%0.386SS*.  trans-137.8132.6170.3-178.1172.763.1-123.7-0.9108.8V252R250-V252 HydrophobicContact CG-CG1 4.07Å
251V74.4Confident67.4Low26 Ų2662.7 Ų62.716%0.15839%0.389CS..  trans-82.8131.8173.1-170.40000107.9V239 C254 L268 G272V239-V251 HydrophobicContact CB-CG2 3.93Å; V239-V251 HydrophobicContact CG1-CG2 4.1Å; V239-V251 HydrophobicContact CG2-CG1 4.37Å; V239-V251 HydrophobicContact CG2-CG2 3.87Å; V251-C254 HydrophobicContact CG1-CB 4.5Å; V251-L268 HydrophobicContact CB-CD1 4.22Å; V251-L268 HydrophobicContact CG1-CD1 3.87Å; V251-G272 WeakPolarHBondContact O-CA 3.4Å
252V80Confident67.5Low61 Ų6170.5 Ų70.537%0.3743%0.425SS..  trans-142.2159.5179.1-59.80000109.2R250 C254R250-V252 HydrophobicContact CG-CG1 4.07Å; V252-C254 VanDerWaalsContact C-N 3.27Å; V252-C254 PolarHBondContact O-N 2.79Å
253D76.9Confident67.5Low57 Ų5770.5 Ų70.531%0.30543%0.431SS..SBendtrans52.440.8172.3-150.115.2000113.8Q266 L268 D269 R452D253-Q266 PolarHBondContact OD1-NE2 3.06Å; D253-L268 WeakPolarHBondContact CA-O 3.49Å; D253-D269 PolarHBondContact N-O 3.45Å; D253-R452 IonicContact OD2-CZ 3.72Å; D253-R452 IonicContact OD2-NE 3.5Å; D253-R452 PolarHBondContact OD2-NE 2.85Å; D253-R452 IonicContact OD2-NH2 3.82Å; D253-R452 PolarHBondContact OD2-NH2 3.23Å
254C76.4Confident68Low32 Ų3273.7 Ų73.722%0.21645%0.451CS..  trans-80.3127.5-179.1-175.20000110V251 V252 L267 L268V251-C254 HydrophobicContact CG1-CB 4.5Å; V252-C254 VanDerWaalsContact C-N 3.27Å; V252-C254 PolarHBondContact O-N 2.79Å; C254-L267 PolarHBondContact O-N 3.39Å; C254-L268 HydrophobicContact CB-CB 3.9Å; C254-L268 HydrophobicContact CB-CD1 3.9Å; C254-L268 HydrophobicContact CB-CG 3.84Å; C254-L268 PolarHBondContact N-O 2.87Å; C254-L268 PolarHBondContact O-N 2.85Å
255A76.7Confident68.7Low51 Ų5176.2 Ų76.242%0.42146%0.459SS..EExtended strand (participates in β ladder)trans-134.7144.4176.200000111.5Q265 Q266A255-Q265 CarbonylContact C-O 3.46Å; A255-Q265 WeakPolarHBondContact CA-O 3.33Å; A255-Q266 HydrophobicContact CB-CG 4.47Å
256A75.2Confident69.6Low42 Ų4276.8 Ų76.835%0.34744%0.441SS..EExtended strand (participates in β ladder)trans-90141.3167.800000110.1T264 Q265 L267A256-T264 WeakPolarHBondContact O-CA 3.5Å; A256-Q265 PolarHBondContact N-O 3.08Å; A256-Q265 PolarHBondContact O-N 3.21Å; A256-L267 HydrophobicContact CB-CD1 4.45Å
257L72.8Confident70.5Confident96 Ų9670.7 Ų70.750%0.50341%0.408SS..EExtended strand (participates in β ladder)trans-117.4143.7178.3-58.6175.5000109.5G259 T264L257-G259 PolarHBondContact O-N 2.97Å; L257-T264 HydrophobicContact CD2-CG2 3.52Å
258D69Low71.3Confident73 Ų7368.2 Ų68.239%0.3940%0.395SS..  trans-71.5-6.1172.264.95.9000114.2L260 G261 E262 S263D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 3.4Å; D258-L260 WeakPolarHBondContact OD1-CA 3.35Å; D258-L260 PolarHBondContact OD1-N 2.82Å; D258-G261 PolarHBondContact OD1-N 3Å; D258-E262 PolarHBondContact OD1-N 2.83Å; D258-S263 PolarHBondContact N-O 2.89Å; D258-S263 WeakPolarHBondContact OD2-CB 2.98Å; D258-S263 PolarHBondContact OD2-N 2.98Å
259G62.6Low72.1Confident5 Ų565.9 Ų65.95%0.05237%0.365CS..SBendtrans88.7-31-174.500000113.8D98 F99 L257 G261D98-G259 CarbonylContact C-O 3.59Å; D98-G259 CarbonylContact O-C 3.57Å; F99-G259 WeakPolarHBondContact CA-O 3.41Å; F99-G259 WeakPolarHBondContact CD1-O 3.32Å; F99-G259 WeakPolarHBondContact CE1-O 3.37Å; F99-G259 WeakPolarHBondContact CG-O 3.48Å; L257-G259 PolarHBondContact O-N 2.97Å; G259-G261 VanDerWaalsContact C-N 3.33Å
260L60Low72.7Confident82 Ų8266.6 Ų66.643%0.42938%0.377SS..SBendtrans-78.3-20176.8-64.6176.1000112.5P100 D258 E262P100-L260 HydrophobicContact CG-CD2 3.76Å; D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 3.4Å; D258-L260 WeakPolarHBondContact OD1-CA 3.35Å; D258-L260 PolarHBondContact OD1-N 2.82Å; L260-E262 VanDerWaalsContact C-N 3.32Å
261G61.3Low72.9Confident38 Ų3866.3 Ų66.339%0.39238%0.376SS..SBendtrans80.912.3-177.500000113.2D258 G259D258-G261 PolarHBondContact OD1-N 3Å; G259-G261 VanDerWaalsContact C-N 3.33Å
262E64.1Low72.9Confident171 Ų17166.1 Ų66.180%0.79938%0.379SS*.SBendtrans-91.8-38.7-177.3-173.4168.5-162.100111.4D258 L260D258-E262 PolarHBondContact OD1-N 2.83Å; L260-E262 VanDerWaalsContact C-N 3.32Å
263S65.6Low72.7Confident72 Ų7266.2 Ų66.250%0.50338%0.382SS..  trans-115.7127.7174-172.10000112D258D258-S263 PolarHBondContact N-O 2.89Å; D258-S263 WeakPolarHBondContact OD2-CB 2.98Å; D258-S263 PolarHBondContact OD2-N 2.98Å
264T72.1Confident72.7Confident99 Ų9966.3 Ų66.361%0.60739%0.386SS*.EExtended strand (participates in β ladder)trans-122.6125.3177.168.20000108.5A256 L257A256-T264 WeakPolarHBondContact O-CA 3.5Å; L257-T264 HydrophobicContact CD2-CG2 3.52Å
265Q76.3Confident72.6Confident94 Ų9469.2 Ų69.244%0.43940%0.398SS..EExtended strand (participates in β ladder)trans-112.2108175.1-174.4175.411.500109.3A255 A256A255-Q265 CarbonylContact C-O 3.46Å; A255-Q265 WeakPolarHBondContact CA-O 3.33Å; A256-Q265 PolarHBondContact N-O 3.08Å; A256-Q265 PolarHBondContact O-N 3.21Å
266Q74.6Confident72.2Confident90 Ų9070 Ų7042%0.42140%0.395SS..EExtended strand (participates in β ladder)trans-74.5130178.6-154.4176.9900110D253 A255 L268 I275D253-Q266 PolarHBondContact OD1-NE2 3.06Å; A255-Q266 HydrophobicContact CB-CG 4.47Å; Q266-L268 WeakPolarHBondContact CG-O 3.3Å; Q266-I275 HydrophobicContact CB-CD1 3.58Å; Q266-I275 HydrophobicContact CG-CD1 3.46Å; Q266-I275 VanDerWaalsContact CG-CD1 3.46Å
267L77.5Confident71.4Confident15 Ų1577.4 Ų77.48%0.07942%0.423CS..  trans-102.8-42.1-178.5-58177.6000111L237 C254 A256 I275 L279L237-L267 HydrophobicContact CD1-CD1 4.14Å; C254-L267 PolarHBondContact O-N 3.39Å; A256-L267 HydrophobicContact CB-CD1 4.45Å; L267-I275 PolarHBondContact O-N 2.71Å; L267-I275 VanDerWaalsContact O-N 3.07Å; L267-L279 HydrophobicContact CB-CD1 4.18Å; L267-L279 HydrophobicContact CD2-CD1 4.2Å; L267-L279 HydrophobicContact CD2-CD2 4.19Å; L267-L279 VanDerWaalsContact O-CD1 3.24Å; L267-L279 WeakPolarHBondContact O-CD1 3.5Å
268L77.6Confident70.6Confident4 Ų478.8 Ų78.82%0.02143%0.426CS..BIsolated β-bridgetrans-122141.4175.3-57.9-179.5000110.8V251 D253 C254 Q266 C273 P274 L305V251-L268 HydrophobicContact CB-CD1 4.22Å; V251-L268 HydrophobicContact CG1-CD1 3.87Å; D253-L268 WeakPolarHBondContact CA-O 3.49Å; C254-L268 HydrophobicContact CB-CB 3.9Å; C254-L268 HydrophobicContact CB-CD1 3.9Å; C254-L268 HydrophobicContact CB-CG 3.84Å; C254-L268 PolarHBondContact N-O 2.87Å; C254-L268 PolarHBondContact O-N 2.85Å; Q266-L268 WeakPolarHBondContact CG-O 3.3Å; L268-C273 CarbonylContact C-O 3.53Å; L268-C273 VanDerWaalsContact CA-O 3.29Å; L268-C273 WeakPolarHBondContact CA-O 3.29Å; L268-P274 HydrophobicContact CD2-CB 4.33Å; L268-L305 HydrophobicContact CD1-CD1 3.89Å; L268-L305 HydrophobicContact CD1-CD2 4.31Å; L268-L305 HydrophobicContact CD2-CD2 4.3Å; L268-L305 HydrophobicContact CG-CD1 4.4Å
269D78.3Confident70Confident26 Ų2676.1 Ų76.114%0.13941%0.412CS..  trans-71.6175.1172.284.6-10.8000112.5D253 R271 G272 C273 I275D253-D269 PolarHBondContact N-O 3.45Å; D269-R271 PolarHBondContact O-N 3.24Å; D269-R271 VanDerWaalsContact OD1-CA 3.3Å; D269-R271 WeakPolarHBondContact OD1-CA 3.47Å; D269-R271 WeakPolarHBondContact OD1-CB 3.36Å; D269-R271 PolarHBondContact OD1-N 3.45Å; D269-R271 IonicContact OD2-CZ 2.78Å; D269-R271 IonicContact OD2-NE 3.21Å; D269-R271 PolarHBondContact OD2-NE 2.98Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 3.06Å; D269-G272 PolarHBondContact O-N 3Å; D269-G272 PolarHBondContact OD1-N 2.78Å; D269-C273 PolarHBondContact N-O 2.9Å; D269-C273 PolarHBondContact OD1-N 2.8Å; D269-I275 HydrophobicContact CB-CG1 4.34Å
270A82.6Confident69.6Low72 Ų7280.3 Ų80.360%0.59543%0.434SS*.THydrogen-bonded Turntrans-62-8.5177.800000114.9
271R77.6Confident69Low186 Ų18678.7 Ų78.770%0.70243%0.429SS*.THydrogen-bonded Turntrans-101.9-13.2176.2-59.3171.3-67-165.20.4112.1D269D269-R271 PolarHBondContact O-N 3.24Å; D269-R271 VanDerWaalsContact OD1-CA 3.3Å; D269-R271 WeakPolarHBondContact OD1-CA 3.47Å; D269-R271 WeakPolarHBondContact OD1-CB 3.36Å; D269-R271 PolarHBondContact OD1-N 3.45Å; D269-R271 IonicContact OD2-CZ 2.78Å; D269-R271 IonicContact OD2-NE 3.21Å; D269-R271 PolarHBondContact OD2-NE 2.98Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 3.06Å
272G73.4Confident68.2Low23 Ų2385.5 Ų85.524%0.23744%0.442CS..SBendtrans93.816-17700000114V251 D269V251-G272 WeakPolarHBondContact O-CA 3.4Å; D269-G272 PolarHBondContact O-N 3Å; D269-G272 PolarHBondContact OD1-N 2.78Å
273C75.6Confident67.2Low63 Ų6383.8 Ų83.843%0.42644%0.438SS..  trans-85.6139.7174.9-63.70000110.7L268 D269L268-C273 CarbonylContact C-O 3.53Å; L268-C273 VanDerWaalsContact CA-O 3.29Å; L268-C273 WeakPolarHBondContact CA-O 3.29Å; D269-C273 PolarHBondContact N-O 2.9Å; D269-C273 PolarHBondContact OD1-N 2.8Å
274P78.2Confident66Low59 Ų5988.5 Ų88.538%0.38345%0.449SS..BIsolated β-bridgetrans-62.7139.3172.726.2-32.6000111.3L268 L279L268-P274 HydrophobicContact CD2-CB 4.33Å; P274-L279 HydrophobicContact CB-CB 3.85Å
275I73.9Confident64.3Low92 Ų9289.3 Ų89.347%0.47246%0.455SS..SBendtrans-85.5-27.5179.9-67172.7000111.7Q266 L267 D269Q266-I275 HydrophobicContact CB-CD1 3.58Å; Q266-I275 HydrophobicContact CG-CD1 3.46Å; Q266-I275 VanDerWaalsContact CG-CD1 3.46Å; L267-I275 PolarHBondContact O-N 2.71Å; L267-I275 VanDerWaalsContact O-N 3.07Å; D269-I275 HydrophobicContact CB-CG1 4.34Å
276D67.3Low62.5Low68 Ų6889.8 Ų89.836%0.36447%0.466SS..SBendtrans-117.9137.8178.4-177.1-12.4000109.6Q278 L279D276-Q278 PolarHBondContact O-N 3.2Å; D276-Q278 WeakPolarHBondContact OD1-CG 3.39Å; D276-Q278 PolarHBondContact OD1-N 2.93Å; D276-L279 HydrophobicContact CB-CD1 3.91Å; D276-L279 HydrophobicContact CB-CG 4.03Å; D276-L279 WeakPolarHBondContact O-CB 3.39Å; D276-L279 PolarHBondContact O-N 2.67Å
277E58.1Low60.6Low198 Ų19891.2 Ų91.293%0.92548%0.483SS*.THydrogen-bonded Turntrans-65.5-19.5179-162.4170.3-16300112.4L279E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 2.76Å
278Q56.8Low58.5Low124 Ų12495.4 Ų95.458%0.57951%0.511SS*.THydrogen-bonded Turntrans-70.1-18.3170.3-59.9-170.6700113.5D276 N280D276-Q278 PolarHBondContact O-N 3.2Å; D276-Q278 WeakPolarHBondContact OD1-CG 3.39Å; D276-Q278 PolarHBondContact OD1-N 2.93Å; Q278-N280 PolarHBondContact O-N 2.96Å; Q278-N280 VanDerWaalsContact O-N 3.17Å
279L55.9Low56.8Low17 Ų17100.4 Ų100.49%0.08955%0.553CS.*  trans-85.885.5-177.8-59.6170.7000111.3L267 P274 D276 E277 C281 V307L267-L279 HydrophobicContact CB-CD1 4.18Å; L267-L279 HydrophobicContact CD2-CD1 4.2Å; L267-L279 HydrophobicContact CD2-CD2 4.19Å; L267-L279 VanDerWaalsContact O-CD1 3.24Å; L267-L279 WeakPolarHBondContact O-CD1 3.5Å; P274-L279 HydrophobicContact CB-CB 3.85Å; D276-L279 HydrophobicContact CB-CD1 3.91Å; D276-L279 HydrophobicContact CB-CG 4.03Å; D276-L279 WeakPolarHBondContact O-CB 3.39Å; D276-L279 PolarHBondContact O-N 2.67Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 2.76Å; L279-C281 PolarHBondContact O-N 2.97Å; L279-V307 HydrophobicContact CD2-CB 4.09Å; L279-V307 HydrophobicContact CD2-CG1 3.7Å; L279-V307 HydrophobicContact CD2-CG2 3.84Å
280N54.5Low54.7Low94 Ų94106.1 Ų106.150%0.50358%0.582SS.*EExtended strand (participates in β ladder)trans-79.992.8-171.7-150.1-17.2000112.1Q278 R282 A306Q278-N280 PolarHBondContact O-N 2.96Å; Q278-N280 VanDerWaalsContact O-N 3.17Å; N280-R282 PolarHBondContact O-N 3.26Å; N280-A306 HydrophobicContact CB-CB 4.47Å; N280-A306 PolarHBondContact N-O 3.03Å; N280-A306 PolarHBondContact O-N 3.02Å
281C47.4Very low52.2Low48 Ų48107.5 Ų107.532%0.32459%0.588SS.*EExtended strand (participates in β ladder)trans-74.685.8179.5-63.70000111.9L279 L283 L305L279-C281 PolarHBondContact O-N 2.97Å; C281-L283 PolarHBondContact O-N 2.83Å; C281-L305 HydrophobicContact CB-CD2 4.21Å; C281-L305 WeakPolarHBondContact SG-CD2 3.36Å
282R45.3Very low50.1Low180 Ų180103.3 Ų103.368%0.67959%0.593SS**EExtended strand (participates in β ladder)trans-83.790.1175.9-77.2-167.6170.3-164.9-2.8112.2N280 K284 S304N280-R282 PolarHBondContact O-N 3.26Å; R282-K284 PolarHBondContact O-N 3.21Å; R282-K284 VanDerWaalsContact O-N 3.14Å; R282-S304 PolarHBondContact O-OG 2.88Å
283L43.5Very low48.3Very low136 Ų136110.4 Ų110.471%0.71262%0.62SS**EExtended strand (participates in β ladder)trans-69.9101.1167.3-166.778.2000110C281 T285C281-L283 PolarHBondContact O-N 2.83Å; L283-T285 PolarHBondContact O-N 3.4Å
284K38.8Very low46.1Very low170 Ų170115.3 Ų115.374%0.73964%0.637SS**  trans-10458.1-167.8-156.2-170.3-177.7-173.60114.7R282R282-K284 PolarHBondContact O-N 3.21Å; R282-K284 VanDerWaalsContact O-N 3.14Å
285T37.3Very low44.4Very low117 Ų117121.2 Ų121.272%0.71866%0.659SS**  trans178.9150.7135.731.90000112.7L283L283-T285 PolarHBondContact O-N 3.4Å
286P37.5Very low42.5Very low104 Ų104124.6 Ų124.668%0.67568%0.677SS**PPolyproline II helixtrans-71.1160.2158.633.2-34.8000110.9
287P34.8Very low40.7Very low119 Ų119125 Ų12577%0.77369%0.69SS**PPolyproline II helixtrans-63.6134.1179.626.7-34.6000111.2A289P287-A289 PolarHBondContact O-N 2.84Å
288P35Very low39.5Very low103 Ų103125.8 Ų125.867%0.66968%0.684SS**PPolyproline II helixtrans-67.2119.4166.528-31.7000108.7L290P288-L290 HydrophobicContact CB-CD1 4.16Å; P288-L290 HydrophobicContact CB-CG 4.44Å; P288-L290 HydrophobicContact CG-CD1 4.39Å; P288-L290 PolarHBondContact O-N 3.25Å
289A41.7Very low38.2Very low109 Ų109124.8 Ų124.890%0.90168%0.682SS**  trans-67.8102.6167.900000108.4P287P287-A289 PolarHBondContact O-N 2.84Å
290L33.6Very low36.9Very low146 Ų146128.1 Ų128.176%0.76470%0.697SS**  trans-121.7128177.2-83.3164.6000110.6P288P288-L290 HydrophobicContact CB-CD1 4.16Å; P288-L290 HydrophobicContact CB-CG 4.44Å; P288-L290 HydrophobicContact CG-CD1 4.39Å; P288-L290 PolarHBondContact O-N 3.25Å
291S29.6Very low35.5Very low102 Ų102126.9 Ų126.971%0.71369%0.693SS**  trans-59156.1178.540.50000112.6E293S291-E293 PolarHBondContact O-N 2.68Å
292A34.1Very low34.8Very low98 Ų98129.4 Ų129.481%0.8170%0.698SS**SBendtrans-68.513.6-169.400000116.6
293E34.7Very low34.3Very low172 Ų172122.3 Ų122.380%0.80467%0.674SS**  trans-133.667.5-177.5-65.9-160.9146.600112.3S291S291-E293 PolarHBondContact O-N 2.68Å
294Q29.6Very low34Very low166 Ų166117.3 Ų117.378%0.77665%0.65SS**  trans-15480.4151.3-161.769.44.300110.3L296Q294-L296 VanDerWaalsContact C-N 3.33Å; Q294-L296 PolarHBondContact O-N 2.82Å
295H42.8Very low34.1Very low182 Ų182109.8 Ų109.884%0.84362%0.618SS**  trans-69.683.5175.1-82.7-99.7000111.6
296L35.4Very low34.3Very low163 Ų163105.9 Ų105.985%0.85360%0.598SS**  trans174.899.1157.4-98.6150.3000108.6Q294Q294-L296 VanDerWaalsContact C-N 3.33Å; Q294-L296 PolarHBondContact O-N 2.82Å
297A27.9Very low34.6Very low77 Ų77101.9 Ų101.964%0.63657%0.571SS**  trans-138.1105.8174.700000111.1I299A297-I299 VanDerWaalsContact C-N 3.31Å; A297-I299 HydrophobicContact CB-CD1 4.26Å; A297-I299 HydrophobicContact CB-CG1 3.77Å; A297-I299 PolarHBondContact O-N 2.86Å; A297-I299 VanDerWaalsContact O-N 3.08Å
298R32.7Very low35Very low214 Ų21498.7 Ų98.781%0.80855%0.55SS*.  trans-68.192.5156.6168.9178.5165.3175.9-5.3106.5E300R298-E300 HydrophobicContact CG-CG 4.34Å; R298-E300 IonicContact CZ-OE1 3.13Å; R298-E300 IonicContact NE-OE1 2.74Å; R298-E300 PolarHBondContact NE-OE1 2.85Å; R298-E300 IonicContact NH2-OE1 2.68Å; R298-E300 PolarHBondContact NH2-OE1 2.91Å; R298-E300 PolarHBondContact O-N 2.83Å
299I29.8Very low35.3Very low103 Ų10394.9 Ų94.953%0.52853%0.527SS..  trans-88.6101.2178.2-55.4177.4000107.9A297 V301A297-I299 VanDerWaalsContact C-N 3.31Å; A297-I299 HydrophobicContact CB-CD1 4.26Å; A297-I299 HydrophobicContact CB-CG1 3.77Å; A297-I299 PolarHBondContact O-N 2.86Å; A297-I299 VanDerWaalsContact O-N 3.08Å; I299-V301 HydrophobicContact CG2-CG2 3.73Å; I299-V301 PolarHBondContact O-N 2.88Å
300E28.1Very low35.3Very low87 Ų8792.6 Ų92.641%0.40750%0.503SS..  trans-81.5101.8168.3-69.2177-174.400108.4R298 F302R298-E300 HydrophobicContact CG-CG 4.34Å; R298-E300 IonicContact CZ-OE1 3.13Å; R298-E300 IonicContact NE-OE1 2.74Å; R298-E300 PolarHBondContact NE-OE1 2.85Å; R298-E300 IonicContact NH2-OE1 2.68Å; R298-E300 PolarHBondContact NH2-OE1 2.91Å; R298-E300 PolarHBondContact O-N 2.83Å; E300-F302 HydrophobicContact CB-CE1 4.48Å; E300-F302 HydrophobicContact CB-CE2 3.76Å; E300-F302 HydrophobicContact CB-CZ 3.7Å; E300-F302 WeakPolarHBondContact O-CD2 3.44Å; E300-F302 WeakPolarHBondContact O-CE2 3.47Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.39Å
301V26.7Very low35.5Very low68 Ų6894 Ų9441%0.41251%0.506SS..  trans-86.9111175.3-174.50000108.5I299I299-V301 HydrophobicContact CG2-CG2 3.73Å; I299-V301 PolarHBondContact O-N 2.88Å
302F32.9Very low36.4Very low101 Ų10196 Ų9644%0.44351%0.507SS..  trans-89.6108.7177.3-58.4-82.7000110E300E300-F302 HydrophobicContact CB-CE1 4.48Å; E300-F302 HydrophobicContact CB-CE2 3.76Å; E300-F302 HydrophobicContact CB-CZ 3.7Å; E300-F302 WeakPolarHBondContact O-CD2 3.44Å; E300-F302 WeakPolarHBondContact O-CE2 3.47Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.39Å
303N34Very low36.8Very low32 Ų3297.3 Ų97.317%0.17150%0.496CS..EExtended strand (participates in β ladder)trans-107.9117.5160.8-164.75.8000109.3V239V239-N303 PolarHBondContact N-O 2.79Å
304S37.3Very low37.4Very low31 Ų3195.3 Ų95.322%0.21750%0.495CS..EExtended strand (participates in β ladder)trans-116.9110.7-175.655.40000109.6R282R282-S304 PolarHBondContact O-OG 2.88Å
305L41.7Very low37.8Very low11 Ų1192.5 Ų92.56%0.05849%0.486CS..EExtended strand (participates in β ladder)trans-91.7113.9175.3-58.8171.3000108.5T236 L237 L268 C281T236-L305 CarbonylContact C-O 3.53Å; T236-L305 WeakPolarHBondContact CA-O 3.47Å; L237-L305 HydrophobicContact CB-CB 4.32Å; L237-L305 PolarHBondContact N-O 2.88Å; L237-L305 PolarHBondContact O-N 2.96Å; L268-L305 HydrophobicContact CD1-CD1 3.89Å; L268-L305 HydrophobicContact CD1-CD2 4.31Å; L268-L305 HydrophobicContact CD2-CD2 4.3Å; L268-L305 HydrophobicContact CG-CD1 4.4Å; C281-L305 HydrophobicContact CB-CD2 4.21Å; C281-L305 WeakPolarHBondContact SG-CD2 3.36Å
306A41.5Very low37.8Very low36 Ų3693 Ų9330%0.29848%0.48SS..EExtended strand (participates in β ladder)trans-82.8117.7172.500000109.5T235 N280T235-A306 CarbonylContact O-C 3.58Å; T235-A306 WeakPolarHBondContact O-CA 3.48Å; N280-A306 HydrophobicContact CB-CB 4.47Å; N280-A306 PolarHBondContact N-O 3.03Å; N280-A306 PolarHBondContact O-N 3.02Å
307V43.3Very low38.4Very low19 Ų1993.1 Ų93.112%0.11548%0.481CS..EExtended strand (participates in β ladder)trans-118.8117178.4-174.40000108.3T235 L237 L279T235-V307 PolarHBondContact N-O 2.85Å; T235-V307 PolarHBondContact O-N 3.18Å; T235-V307 PolarHBondContact OG1-O 2.82Å; T235-V307 VanDerWaalsContact OG1-O 3.06Å; L237-V307 HydrophobicContact CD1-CG2 3.92Å; L237-V307 HydrophobicContact CG-CG2 4.25Å; L279-V307 HydrophobicContact CD2-CB 4.09Å; L279-V307 HydrophobicContact CD2-CG1 3.7Å; L279-V307 HydrophobicContact CD2-CG2 3.84Å
308T42.6Very low39.3Very low52 Ų5298.7 Ų98.732%0.31949%0.486SS..EExtended strand (participates in β ladder)trans-72.7124161.435.10000108.4A234 P310A234-T308 HydrophobicContact CB-CG2 4.32Å; T308-P310 WeakPolarHBondContact O-CD 3.37Å; T308-P310 VanDerWaalsContact O-N 3.14Å
309A42.1Very low39.6Very low24 Ų2498.7 Ų98.720%0.19849%0.487CS..PPolyproline II helixtrans-60117.6175.600000109.3V229V229-A309 HydrophobicContact CG1-CB 4.47Å
310P41.7Very low40.2Very low60 Ų60100.9 Ų100.939%0.3950%0.5SS..PPolyproline II helixtrans-64.9147.9-173.225.3-33.9000111T308 I312T308-P310 WeakPolarHBondContact O-CD 3.37Å; T308-P310 VanDerWaalsContact O-N 3.14Å; P310-I312 PolarHBondContact O-N 2.93Å; P310-I312 VanDerWaalsContact O-N 3.08Å
311Q37.5Very low41Very low177 Ų177108 Ų10883%0.82752%0.523SS*.  trans-68.7108.4173.6-68.7-165.96.800109.6E313Q311-E313 PolarHBondContact O-N 2.85Å; Q311-E313 VanDerWaalsContact O-N 3.11Å
312I48.4Very low41.7Very low144 Ų144115.6 Ų115.674%0.73854%0.544SS*.  trans-70.6104166.2-59.5172.3000106.6P310 V314P310-I312 PolarHBondContact O-N 2.93Å; P310-I312 VanDerWaalsContact O-N 3.08Å; I312-V314 WeakPolarHBondContact O-CG2 3.38Å; I312-V314 PolarHBondContact O-N 2.97Å
313E41.8Very low42Very low124 Ų124119.4 Ų119.458%0.57956%0.563SS**  trans-57.5106.4-178.8-71.7-175.7171.500111.8Q311 D315 R316Q311-E313 PolarHBondContact O-N 2.85Å; Q311-E313 VanDerWaalsContact O-N 3.11Å; E313-D315 VanDerWaalsContact C-N 3.32Å; E313-R316 IonicContact OE1-NH1 2.67Å; E313-R316 IonicContact OE2-CZ 3.7Å; E313-R316 IonicContact OE2-NH1 3.63Å; E313-R316 PolarHBondContact OE2-NH1 3.08Å
314V46.7Very low42.3Very low130 Ų130124.3 Ų124.379%0.78859%0.589SS**  trans-83.2-12.2173.6-165.30000111.8I312I312-V314 WeakPolarHBondContact O-CG2 3.38Å; I312-V314 PolarHBondContact O-N 2.97Å
315D39.6Very low42.3Very low107 Ų107132.7 Ų132.757%0.57263%0.627SS**G310 helixtrans-92.7-4.1-166.9-97.7-33.4000116.3E313 L317 R318E313-D315 VanDerWaalsContact C-N 3.32Å; D315-L317 PolarHBondContact O-N 3.37Å; D315-R318 PolarHBondContact O-N 3.4Å; D315-R318 IonicContact OD1-NH1 2.76Å
316R42.6Very low42Very low192 Ų192136.9 Ų136.973%0.72566%0.657SS**G310 helixtrans-63.8-11.1178.2-103.1-176.4156.297.1-1.2114.9E313E313-R316 IonicContact OE1-NH1 2.67Å; E313-R316 IonicContact OE2-CZ 3.7Å; E313-R316 IonicContact OE2-NH1 3.63Å; E313-R316 PolarHBondContact OE2-NH1 3.08Å
317L47.7Very low41.7Very low166 Ų166138.3 Ų138.387%0.86968%0.676SS**G310 helixtrans-92.81.4173.9-67.3176.6000114.6D315D315-L317 PolarHBondContact O-N 3.37Å
318R47.1Very low41.1Very low195 Ų195146.2 Ų146.274%0.73671%0.711SS**SBendtrans-95.2-15.8-177.1-110-171.5-178.892.54.3116D315D315-R318 PolarHBondContact O-N 3.4Å; D315-R318 IonicContact OD1-NH1 2.76Å
319Y38.6Very low40.7Very low214 Ų214150.2 Ų150.284%0.83973%0.731SS**SBendtrans-87.8-35-172-126.9-90.5000114.6R321Y319-R321 VanDerWaalsContact C-N 3.34Å; Y319-R321 PolarHBondContact O-N 2.86Å
320D43Very low40.1Very low148 Ų148159.3 Ų159.379%0.79176%0.762SS**G310 helixtrans-75.3-15.8-174.4-73.4-22.9000114.9R322D320-R322 VanDerWaalsContact C-N 3.27Å; D320-R322 PolarHBondContact O-N 2.79Å
321R44.1Very low39.9Very low238 Ų238160 Ų16090%0.89877%0.772SS**G310 helixtrans-83.38.8-172.7-146.7177.5-172156.75.6115.2Y319Y319-R321 VanDerWaalsContact C-N 3.34Å; Y319-R321 PolarHBondContact O-N 2.86Å
322R42.4Very low40.5Very low226 Ų226156.4 Ų156.485%0.85377%0.765SS**G310 helixtrans-105.1-9.6-177.5-90.5-169.5176.9-175.71.1116.1D320D320-R322 VanDerWaalsContact C-N 3.27Å; D320-R322 PolarHBondContact O-N 2.79Å
323H39.4Very low40.1Very low182 Ų182158 Ų15884%0.84377%0.769SS**SBendtrans-128.292.3176.4-75.69.2000110.7
324N39.9Very low39.7Very low135 Ų135159.1 Ų159.172%0.72278%0.783SS**  trans163.991.7130.6-167.610000109.4S326N324-S326 PolarHBondContact OD1-OG 2.04Å
325M37.3Very low39.1Very low206 Ų206164.3 Ų164.3100%1.01579%0.789SS**  trans-114.988.9164.8-103.1-151.3-90.500109.7
326S34.5Very low38.8Very low99 Ų99162.5 Ų162.569%0.69280%0.796SS**  trans-162.7132.1160.454.20000106.2N324N324-S326 PolarHBondContact OD1-OG 2.04Å
327G34.5Very low38.2Very low66 Ų66162.5 Ų162.568%0.6880%0.804SS**  cis-169.6-178.8-7.200000108.3
328E32.7Very low37.6Very low185 Ų185160.9 Ų160.986%0.86480%0.801SS**  trans67.5114.6158.6-62.2177.8125.200120.3
329D32.7Very low37Very low137 Ų137159.6 Ų159.673%0.73381%0.805SS**  90.3137.3122-91.6-13.4000126.4
330Y30.8Very low37.5Very low214 Ų214155.4 Ų155.484%0.83980%0.804SS**  trans59152.4168.5-81.3-111.1000118.4
331A36.1Very low37.2Very low74 Ų74151.8 Ų151.861%0.61280%0.801SS**  cis-170.6166.6-24.400000107.8
332P51.5Low36.9Very low103 Ų103149.4 Ų149.467%0.66980%0.8SS**  trans-88.4-162.4-16937-37.2000114.6
333H38.5Very low37.3Very low177 Ų177142.5 Ų142.582%0.81980%0.8SS**  trans84.3137.3-171.7-40.2-59.9000112.6
334V34.6Very low37.6Very low147 Ų147139.8 Ų139.889%0.89180%0.796SS**  cis-133.2154.632.9170.60000112.6
335R34.7Very low38.1Very low240 Ų240140.9 Ų140.991%0.90680%0.801SS**  trans-103.6122.3-177.2-179.1-176.7-170.5151.40.2111.8
336G32.7Very low38.3Very low69 Ų69137.1 Ų137.171%0.71179%0.794SS**  trans83121.3143.200000119.7
337Q30.6Very low39.4Very low191 Ų191137.3 Ų137.389%0.89379%0.787SS**  trans-148.6135.7131.2-120.1178.4-28.800109.4
338V34.5Very low40.8Very low133 Ų133136.8 Ų136.881%0.80677%0.772SS**  trans-114.6133.8-177.81730000108
339M34.2Very low42.9Very low167 Ų167133.7 Ų133.782%0.82376%0.761SS**  trans-126.3138.7166-80.8-68.6167.100109.1
340P49.1Very low44.7Very low127 Ų127130.8 Ų130.883%0.82575%0.751SS**  trans-85.4134.2-16833.1-34.1000112.4
341G36.8Very low46.8Very low71 Ų71127.1 Ų127.173%0.73274%0.739SS**  trans-16495.317700000112.3G343G341-G343 PolarHBondContact O-N 3.27Å
342E37.8Very low49Very low188 Ų188127.2 Ų127.288%0.87973%0.729SS**  trans34.479155.2-59.1-173.1171.800119.1T344E342-T344 VanDerWaalsContact C-N 3.33Å; E342-T344 PolarHBondContact O-N 2.81Å; E342-T344 PolarHBondContact O-OG1 2.85Å
343G49.8Very low50.7Low82 Ų82125.1 Ų125.185%0.84572%0.72SS**  73.5-2.912000000120.3G341G341-G343 PolarHBondContact O-N 3.27Å
344T46.8Very low52.9Low125 Ų125121.9 Ų121.977%0.76771%0.708SS**  trans-94.799174.633.80000111.5E342 C346E342-T344 VanDerWaalsContact C-N 3.33Å; E342-T344 PolarHBondContact O-N 2.81Å; E342-T344 PolarHBondContact O-OG1 2.85Å; T344-C346 PolarHBondContact O-N 2.91Å
345L50.8Low55.4Low158 Ų158117.4 Ų117.483%0.82768%0.683SS**  trans-70.991.9177.1-76.3165000111.3L347L345-L347 PolarHBondContact O-N 2.93Å
346C39.8Very low58.1Low127 Ų127112.5 Ų112.586%0.85867%0.669SS**  trans-69.677.2168.8-63.10000111.4T344T344-C346 PolarHBondContact O-N 2.91Å
347L58.5Low61Low103 Ų103113.1 Ų113.154%0.53966%0.661SS.*  trans-83.8130.1167.8-75.8166.4000109.8L345 K351L345-L347 PolarHBondContact O-N 2.93Å; L347-K351 HydrophobicContact CD2-CB 4.13Å; L347-K351 HydrophobicContact CD2-CD 4.25Å
348S63.6Low64Low55 Ų55107.6 Ų107.639%0.38564%0.64SS.*  trans-64146.6170.462.20000110.2S350 K351 L352S348-S350 PolarHBondContact O-N 3.02Å; S348-S350 PolarHBondContact OG-OG 2.69Å; S348-K351 PolarHBondContact O-N 3.31Å; S348-L352 PolarHBondContact O-N 2.92Å; S348-L352 VanDerWaalsContact O-N 3.09Å
349I77.1Confident66.8Low120 Ų120106.2 Ų106.262%0.61563%0.628SS**Hα-helixtrans-50.6-36.3177.7-64.4164.9000111.2K351 L352 A353I349-K351 PolarHBondContact O-N 3.14Å; I349-L352 PolarHBondContact O-N 3.18Å; I349-A353 WeakPolarHBondContact O-CB 3.32Å; I349-A353 PolarHBondContact O-N 2.88Å
350S69.9Low69.7Low76 Ų76100.1 Ų100.153%0.53161%0.608SS.*Hα-helixtrans-61.4-36.9174.151.60000114.8S348 I354S348-S350 PolarHBondContact O-N 3.02Å; S348-S350 PolarHBondContact OG-OG 2.69Å; S350-I354 WeakPolarHBondContact O-CD1 3.04Å; S350-I354 WeakPolarHBondContact O-CG1 3Å; S350-I354 PolarHBondContact O-N 3.12Å
351K75.9Confident71.9Confident136 Ų13699.1 Ų99.159%0.59160%0.595SS**Hα-helixtrans-78.7-35.8176.7-72.8-175.7177-176.70111.9L347 S348 I349 I354 S355L347-K351 HydrophobicContact CD2-CB 4.13Å; L347-K351 HydrophobicContact CD2-CD 4.25Å; S348-K351 PolarHBondContact O-N 3.31Å; I349-K351 PolarHBondContact O-N 3.14Å; K351-I354 PolarHBondContact O-N 3.49Å; K351-S355 PolarHBondContact O-N 3.46Å; K351-S355 VanDerWaalsContact O-N 3.1Å
352L81.8Confident74.8Confident77 Ų77100.8 Ų100.840%0.40359%0.586SS.*Hα-helixtrans-60.7-46.7173.9-175166.2000110.4S348 I349 I354 S355 F356S348-L352 PolarHBondContact O-N 2.92Å; S348-L352 VanDerWaalsContact O-N 3.09Å; I349-L352 PolarHBondContact O-N 3.18Å; L352-I354 VanDerWaalsContact C-N 3.33Å; L352-I354 PolarHBondContact O-N 2.93Å; L352-S355 PolarHBondContact O-N 2.8Å; L352-S355 VanDerWaalsContact O-N 3.09Å; L352-S355 PolarHBondContact O-OG 3.49Å; L352-F356 HydrophobicContact CD2-CD2 3.54Å; L352-F356 HydrophobicContact CD2-CE2 3.49Å; L352-F356 VanDerWaalsContact CD2-CE2 3.49Å; L352-F356 HydrophobicContact CG-CE2 4.35Å; L352-F356 PolarHBondContact O-N 2.77Å; L352-F356 VanDerWaalsContact O-N 3.14Å
353A86.9Confident77.5Confident58 Ų5898.7 Ų98.748%0.47957%0.574SS.*Hα-helixtrans-56.9-42.8176.100000112.9I349 S355 F356 C357I349-A353 WeakPolarHBondContact O-CB 3.32Å; I349-A353 PolarHBondContact O-N 2.88Å; A353-S355 PolarHBondContact O-N 2.82Å; A353-F356 PolarHBondContact O-N 3.2Å; A353-C357 WeakPolarHBondContact O-CB 3.35Å; A353-C357 PolarHBondContact O-N 3.2Å
354I85.6Confident79.7Confident110 Ų11099.7 Ų99.756%0.56456%0.56SS**Hα-helixtrans-63-41.9176.3-65.3164.4000110.8S350 K351 L352 F356 C357 V358S350-I354 WeakPolarHBondContact O-CD1 3.04Å; S350-I354 WeakPolarHBondContact O-CG1 3Å; S350-I354 PolarHBondContact O-N 3.12Å; K351-I354 PolarHBondContact O-N 3.49Å; L352-I354 VanDerWaalsContact C-N 3.33Å; L352-I354 PolarHBondContact O-N 2.93Å; I354-F356 PolarHBondContact O-N 2.95Å; I354-C357 WeakPolarHBondContact O-CB 3.25Å; I354-C357 PolarHBondContact O-N 2.81Å; I354-V358 HydrophobicContact CG2-CG2 4.46Å; I354-V358 WeakPolarHBondContact O-CG2 3.3Å; I354-V358 PolarHBondContact O-N 3Å
355S87.1Confident82Confident52 Ų5298 Ų9836%0.36455%0.549SS..Hα-helixtrans-62.8-42.3178.764.30000113.4K351 L352 A353 C357 V358 L359K351-S355 PolarHBondContact O-N 3.46Å; K351-S355 VanDerWaalsContact O-N 3.1Å; L352-S355 PolarHBondContact O-N 2.8Å; L352-S355 VanDerWaalsContact O-N 3.09Å; L352-S355 PolarHBondContact O-OG 3.49Å; A353-S355 PolarHBondContact O-N 2.82Å; S355-C357 VanDerWaalsContact C-N 3.34Å; S355-C357 PolarHBondContact O-N 2.99Å; S355-V358 PolarHBondContact O-N 2.86Å; S355-L359 WeakPolarHBondContact O-CG 3.37Å; S355-L359 PolarHBondContact O-N 2.72Å
356F91.4Very high84.1Confident138 Ų13893.2 Ų93.261%0.60553%0.532SS*.Hα-helixtrans-68.9-33.3175.7-77-46.4000112.4L352 A353 I354 L359 G360L352-F356 HydrophobicContact CD2-CD2 3.54Å; L352-F356 HydrophobicContact CD2-CE2 3.49Å; L352-F356 VanDerWaalsContact CD2-CE2 3.49Å; L352-F356 HydrophobicContact CG-CE2 4.35Å; L352-F356 PolarHBondContact O-N 2.77Å; L352-F356 VanDerWaalsContact O-N 3.14Å; A353-F356 PolarHBondContact O-N 3.2Å; I354-F356 PolarHBondContact O-N 2.95Å; F356-L359 HydrophobicContact CD1-CD1 4.46Å; F356-G360 PolarHBondContact O-N 3.2Å
357C92.6Very high86.9Confident81 Ų8190 Ų9055%0.54751%0.509SS..Hα-helixtrans-62.9-45.6174.4-1660000111.7A353 I354 S355 G360 L361A353-C357 WeakPolarHBondContact O-CB 3.35Å; A353-C357 PolarHBondContact O-N 3.2Å; I354-C357 WeakPolarHBondContact O-CB 3.25Å; I354-C357 PolarHBondContact O-N 2.81Å; S355-C357 VanDerWaalsContact C-N 3.34Å; S355-C357 PolarHBondContact O-N 2.99Å; C357-G360 PolarHBondContact O-N 2.8Å; C357-L361 WeakPolarHBondContact O-CG 3.37Å; C357-L361 PolarHBondContact O-N 2.95Å
358V93.4Very high88.6Confident76 Ų7688.1 Ų88.146%0.46150%0.501SS..Hα-helixtrans-64.8-45.4177173.90000111.7I354 S355 G360 L361 I362I354-V358 HydrophobicContact CG2-CG2 4.46Å; I354-V358 WeakPolarHBondContact O-CG2 3.3Å; I354-V358 PolarHBondContact O-N 3Å; S355-V358 PolarHBondContact O-N 2.86Å; V358-G360 VanDerWaalsContact C-N 3.33Å; V358-G360 PolarHBondContact O-N 2.9Å; V358-L361 PolarHBondContact O-N 2.98Å; V358-I362 HydrophobicContact CG1-CD1 3.97Å; V358-I362 WeakPolarHBondContact O-CG1 3.42Å; V358-I362 PolarHBondContact O-N 3.44Å
359L94.3Very high90.1Very high103 Ų10389.5 Ų89.554%0.53951%0.507SS..Hα-helixtrans-62.4-39.8176.6-70.7171.6000112.1S355 F356 I362 F363S355-L359 WeakPolarHBondContact O-CG 3.37Å; S355-L359 PolarHBondContact O-N 2.72Å; F356-L359 HydrophobicContact CD1-CD1 4.46Å; L359-I362 PolarHBondContact O-N 3.46Å; L359-F363 WeakPolarHBondContact O-CB 3.38Å; L359-F363 PolarHBondContact O-N 2.81Å
360G94.9Very high91Very high39 Ų3986.1 Ų86.140%0.40250%0.497SS..Hα-helixtrans-62.2-41.9175.100000113F356 C357 V358 F363 L364F356-G360 PolarHBondContact O-N 3.2Å; C357-G360 PolarHBondContact O-N 2.8Å; V358-G360 VanDerWaalsContact C-N 3.33Å; V358-G360 PolarHBondContact O-N 2.9Å; G360-F363 PolarHBondContact O-N 3.48Å; G360-L364 WeakPolarHBondContact O-CB 3.35Å; G360-L364 PolarHBondContact O-N 2.94Å
361L96.2Very high92.2Very high106 Ų10686.7 Ų86.756%0.55549%0.493SS*.Hα-helixtrans-64.3-43.3175.4-73.3171.5000112.2C357 V358 F363 L364 V365C357-L361 WeakPolarHBondContact O-CG 3.37Å; C357-L361 PolarHBondContact O-N 2.95Å; V358-L361 PolarHBondContact O-N 2.98Å; L361-F363 PolarHBondContact O-N 3.13Å; L361-L364 PolarHBondContact O-N 3.13Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.29Å
362I95.9Very high93Very high107 Ų10786.9 Ų86.955%0.54949%0.494SS..Hα-helixtrans-61.8-45.1176.8-66.3164.8000110.5V358 L359 L364 V365 A366V358-I362 HydrophobicContact CG1-CD1 3.97Å; V358-I362 WeakPolarHBondContact O-CG1 3.42Å; V358-I362 PolarHBondContact O-N 3.44Å; L359-I362 PolarHBondContact O-N 3.46Å; I362-L364 PolarHBondContact O-N 2.93Å; I362-V365 PolarHBondContact O-N 3.23Å; I362-A366 PolarHBondContact O-N 3.42Å
363F95.8Very high93.3Very high144 Ų14486.5 Ų86.563%0.63250%0.498SS*.Hα-helixtrans-62.3-42.6177-177.1-101.6000112.2L359 G360 L361 V365 A366 V367L359-F363 WeakPolarHBondContact O-CB 3.38Å; L359-F363 PolarHBondContact O-N 2.81Å; G360-F363 PolarHBondContact O-N 3.48Å; L361-F363 PolarHBondContact O-N 3.13Å; F363-V365 PolarHBondContact O-N 3.35Å; F363-A366 WeakPolarHBondContact O-CB 3.23Å; F363-A366 PolarHBondContact O-N 3.02Å; F363-V367 HydrophobicContact CD1-CG2 4.2Å; F363-V367 HydrophobicContact CE1-CG2 3.78Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 3.9Å; F363-V367 WeakPolarHBondContact O-CG2 3.46Å; F363-V367 PolarHBondContact O-N 3.14Å
364L95.8Very high93.4Very high103 Ų10389.2 Ų89.254%0.53950%0.504SS..Hα-helixtrans-60.7-44.4176.6-170.6155.4000111.4G360 L361 I362 A366 V367 V368G360-L364 WeakPolarHBondContact O-CB 3.35Å; G360-L364 PolarHBondContact O-N 2.94Å; L361-L364 PolarHBondContact O-N 3.13Å; I362-L364 PolarHBondContact O-N 2.93Å; L364-A366 VanDerWaalsContact C-N 3.35Å; L364-A366 PolarHBondContact O-N 3.12Å; L364-V367 PolarHBondContact O-N 2.99Å; L364-V368 HydrophobicContact CD2-CG2 4.13Å; L364-V368 WeakPolarHBondContact O-CG2 3.43Å; L364-V368 PolarHBondContact O-N 3.34Å
365V95.9Very high93.6Very high89 Ų8987.6 Ų87.654%0.53950%0.495SS..Hα-helixtrans-61.6-42.4175172.80000111.3L361 I362 F363 V367 V368 V369L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.29Å; I362-V365 PolarHBondContact O-N 3.23Å; F363-V365 PolarHBondContact O-N 3.35Å; V365-V367 PolarHBondContact O-N 3.08Å; V365-V368 PolarHBondContact O-N 2.94Å; V365-V369 WeakPolarHBondContact O-CG2 3.29Å; V365-V369 PolarHBondContact O-N 3.08Å
366A95Very high93.5Very high58 Ų5894 Ų9448%0.47951%0.512SS..Hα-helixtrans-61.9-42.517700000112.5I362 F363 L364 V369 A370I362-A366 PolarHBondContact O-N 3.42Å; F363-A366 WeakPolarHBondContact O-CB 3.23Å; F363-A366 PolarHBondContact O-N 3.02Å; L364-A366 VanDerWaalsContact C-N 3.35Å; L364-A366 PolarHBondContact O-N 3.12Å; A366-V369 PolarHBondContact O-N 3.27Å; A366-A370 WeakPolarHBondContact O-CB 3.47Å; A366-A370 PolarHBondContact O-N 3.25Å
367V96.5Very high93Very high60 Ų6090.8 Ų90.836%0.36451%0.507SS..Hα-helixtrans-62.5-43.1174.8170.90000111.2F363 L364 V365 A370 I371F363-V367 HydrophobicContact CD1-CG2 4.2Å; F363-V367 HydrophobicContact CE1-CG2 3.78Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 3.9Å; F363-V367 WeakPolarHBondContact O-CG2 3.46Å; F363-V367 PolarHBondContact O-N 3.14Å; L364-V367 PolarHBondContact O-N 2.99Å; V365-V367 PolarHBondContact O-N 3.08Å; V367-A370 PolarHBondContact O-N 3.02Å; V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.47Å; V367-I371 VanDerWaalsContact O-CG1 3.32Å; V367-I371 WeakPolarHBondContact O-CG1 3.35Å; V367-I371 PolarHBondContact O-N 2.92Å
368V95.4Very high92.4Very high62 Ų6295.8 Ų95.838%0.37651%0.514SS..Hα-helixtrans-60.7-46.4175.81700000110.9L364 V365 A370 I371 F372L364-V368 HydrophobicContact CD2-CG2 4.13Å; L364-V368 WeakPolarHBondContact O-CG2 3.43Å; L364-V368 PolarHBondContact O-N 3.34Å; V365-V368 PolarHBondContact O-N 2.94Å; V368-A370 VanDerWaalsContact C-N 3.35Å; V368-A370 PolarHBondContact O-N 3.19Å; V368-I371 PolarHBondContact O-N 2.99Å; V368-F372 HydrophobicContact CG1-CD2 3.68Å; V368-F372 HydrophobicContact CG1-CE2 3.78Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 3.42Å
369V95.5Very high91.6Very high84 Ų84100.7 Ų100.751%0.50952%0.524SS..Hα-helixtrans-61.9-40.6176.6172.10000111.8V365 A366 F372 S373V365-V369 WeakPolarHBondContact O-CG2 3.29Å; V365-V369 PolarHBondContact O-N 3.08Å; A366-V369 PolarHBondContact O-N 3.27Å; V369-F372 PolarHBondContact O-N 2.68Å; V369-S373 VanDerWaalsContact O-CB 3.32Å; V369-S373 WeakPolarHBondContact O-CB 3.34Å; V369-S373 PolarHBondContact O-N 2.74Å; V369-S373 PolarHBondContact O-OG 3.42Å
370A94.8Very high90.2Very high50 Ų50104.1 Ų104.141%0.41353%0.53SS..Hα-helixtrans-61.5-46.4174.600000111.9A366 V367 V368 S373 L374A366-A370 WeakPolarHBondContact O-CB 3.47Å; A366-A370 PolarHBondContact O-N 3.25Å; V367-A370 PolarHBondContact O-N 3.02Å; V368-A370 VanDerWaalsContact C-N 3.35Å; V368-A370 PolarHBondContact O-N 3.19Å; A370-S373 WeakPolarHBondContact O-CB 3.3Å; A370-S373 PolarHBondContact O-N 3.05Å; A370-L374 WeakPolarHBondContact O-CG 3.29Å; A370-L374 PolarHBondContact O-N 3.33Å
371I95Very high88.7Confident87 Ų87108.9 Ų108.945%0.44654%0.542SS..Hα-helixtrans-61.4-46.8176.9-68.7166.2000111V367 V368 S373 L374 I375V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.47Å; V367-I371 VanDerWaalsContact O-CG1 3.32Å; V367-I371 WeakPolarHBondContact O-CG1 3.35Å; V367-I371 PolarHBondContact O-N 2.92Å; V368-I371 PolarHBondContact O-N 2.99Å; I371-S373 VanDerWaalsContact C-N 3.28Å; I371-S373 PolarHBondContact O-N 2.85Å; I371-L374 PolarHBondContact O-N 2.89Å; I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.43Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.29Å; I371-I375 PolarHBondContact O-N 3.43Å
372F93.3Very high86.8Confident141 Ų141114.3 Ų114.362%0.61856%0.555SS**Hα-helixtrans-61.3-36.5175.3-90.6-75.5000112.5V368 V369 I375 R376V368-F372 HydrophobicContact CG1-CD2 3.68Å; V368-F372 HydrophobicContact CG1-CE2 3.78Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 3.42Å; V369-F372 PolarHBondContact O-N 2.68Å; F372-I375 PolarHBondContact O-N 2.78Å; F372-R376 VanDerWaalsContact O-CB 3.24Å; F372-R376 WeakPolarHBondContact O-CB 3.49Å; F372-R376 PolarHBondContact O-N 3.19Å
373S89.1Confident84.9Confident68 Ų68119.2 Ų119.248%0.47657%0.566SS.*Hα-helixtrans-68.2-41.5177.4-58.80000111.6V369 A370 I371 R376 S377V369-S373 VanDerWaalsContact O-CB 3.32Å; V369-S373 WeakPolarHBondContact O-CB 3.34Å; V369-S373 PolarHBondContact O-N 2.74Å; V369-S373 PolarHBondContact O-OG 3.42Å; A370-S373 WeakPolarHBondContact O-CB 3.3Å; A370-S373 PolarHBondContact O-N 3.05Å; I371-S373 VanDerWaalsContact C-N 3.28Å; I371-S373 PolarHBondContact O-N 2.85Å; S373-R376 PolarHBondContact O-N 3.46Å; S373-S377 WeakPolarHBondContact O-CB 3.27Å; S373-S377 PolarHBondContact O-N 3.36Å
374L88.2Confident82.9Confident116 Ų116118.8 Ų118.861%0.60757%0.566SS**Hα-helixtrans-64.9-43.9173.4-69.6172.7000112A370 I371 R376 S377 R378A370-L374 WeakPolarHBondContact O-CG 3.29Å; A370-L374 PolarHBondContact O-N 3.33Å; I371-L374 PolarHBondContact O-N 2.89Å; L374-R376 PolarHBondContact O-N 2.92Å; L374-S377 PolarHBondContact O-N 3.4Å; L374-R378 WeakPolarHBondContact O-CG 3.31Å; L374-R378 PolarHBondContact O-N 3.37Å
375I89.6Confident80.8Confident75 Ų75117.5 Ų117.539%0.38558%0.578SS.*Hα-helixtrans-62.4-43175.2-67.5167.5000110.6I371 F372 R379I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.43Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.29Å; I371-I375 PolarHBondContact O-N 3.43Å; F372-I375 PolarHBondContact O-N 2.78Å; I375-R379 WeakPolarHBondContact O-CB 3.35Å; I375-R379 VanDerWaalsContact O-CG 3.3Å; I375-R379 WeakPolarHBondContact O-CG 3.33Å; I375-R379 PolarHBondContact O-N 3.38Å
376R84.4Confident78.7Confident186 Ų186117.4 Ų117.470%0.70259%0.587SS**Hα-helixtrans-66.6-37.7177.2-171.3172.8-179.9142.4-1.2112F372 S373 L374 R379 R380F372-R376 VanDerWaalsContact O-CB 3.24Å; F372-R376 WeakPolarHBondContact O-CB 3.49Å; F372-R376 PolarHBondContact O-N 3.19Å; S373-R376 PolarHBondContact O-N 3.46Å; L374-R376 PolarHBondContact O-N 2.92Å; R376-R379 PolarHBondContact O-N 3Å; R376-R380 WeakPolarHBondContact O-CB 3.48Å; R376-R380 PolarHBondContact O-N 3.35Å
377S81.9Confident76.4Confident72 Ų72117.4 Ų117.450%0.50359%0.592SS.*Hα-helixtrans-61.6-53.8173.6-171.10000111.2S373 L374 R379 R380 E381S373-S377 WeakPolarHBondContact O-CB 3.27Å; S373-S377 PolarHBondContact O-N 3.36Å; L374-S377 PolarHBondContact O-N 3.4Å; S377-R379 VanDerWaalsContact C-N 3.27Å; S377-R379 PolarHBondContact O-N 3.1Å; S377-R380 CarbonylContact O-C 3.58Å; S377-R380 WeakPolarHBondContact O-CA 3.35Å; S377-R380 WeakPolarHBondContact O-CB 3.42Å; S377-R380 PolarHBondContact O-N 3.48Å; S377-E381 PolarHBondContact O-N 2.87Å
378R79.6Confident73.9Confident186 Ų186122.9 Ų122.970%0.70262%0.618SS**Hα-helixtrans-61.5-32178-65.8-178.280.2-1776.5113L374 R382L374-R378 WeakPolarHBondContact O-CG 3.31Å; L374-R378 PolarHBondContact O-N 3.37Å; R378-R382 PolarHBondContact O-N 2.98Å; R378-R382 VanDerWaalsContact O-N 3.15Å
379R76.1Confident71.2Confident178 Ų178125 Ų12567%0.67264%0.637SS**Hα-helixtrans-71.1-31.1170.9-74.2-179.6-172.9-158.93.9113I375 R376 S377 R383I375-R379 WeakPolarHBondContact O-CB 3.35Å; I375-R379 VanDerWaalsContact O-CG 3.3Å; I375-R379 WeakPolarHBondContact O-CG 3.33Å; I375-R379 PolarHBondContact O-N 3.38Å; R376-R379 PolarHBondContact O-N 3Å; S377-R379 VanDerWaalsContact C-N 3.27Å; S377-R379 PolarHBondContact O-N 3.1Å; R379-R383 PolarHBondContact O-N 3.48Å
380R65.2Low68.5Low176 Ų176128.9 Ų128.966%0.66465%0.653SS**Hα-helixtrans-74.4-40.8175.7-164.6175.4-171.2177.53.1110.9R376 S377 R383 H384R376-R380 WeakPolarHBondContact O-CB 3.48Å; R376-R380 PolarHBondContact O-N 3.35Å; S377-R380 CarbonylContact O-C 3.58Å; S377-R380 WeakPolarHBondContact O-CA 3.35Å; S377-R380 WeakPolarHBondContact O-CB 3.42Å; S377-R380 PolarHBondContact O-N 3.48Å; R380-R383 WeakPolarHBondContact O-CA 3.26Å; R380-R383 WeakPolarHBondContact O-CB 3.36Å; R380-R383 PolarHBondContact O-N 2.92Å; R380-H384 PolarHBondContact O-N 2.79Å; R380-H384 VanDerWaalsContact O-N 3.15Å; R380-H384 PolarHBondContact O-ND1 3.27Å
381E62.7Low65.7Low139 Ų139130 Ų13065%0.6567%0.669SS**Hα-helixtrans-59.6-47.5174.3-167.7171.7-148.900111.5S377 R383 H384 G385S377-E381 PolarHBondContact O-N 2.87Å; E381-R383 PolarHBondContact O-N 3.49Å; E381-H384 PolarHBondContact O-N 2.98Å; E381-G385 PolarHBondContact O-N 3.16Å; E381-G385 VanDerWaalsContact O-N 3.07Å
382R57.8Low62.8Low219 Ų219134.1 Ų134.183%0.82669%0.692SS**Hα-helixtrans-62.1-12.3171-75.7-162.4178.8-154.30.9115.3R378R378-R382 PolarHBondContact O-N 2.98Å; R378-R382 VanDerWaalsContact O-N 3.15Å
383R55.5Low59.8Low210 Ų210130.7 Ų130.779%0.79270%0.696SS**Hα-helixtrans-94.9-19171.7-75.5-176.3177-166.6-1.7113.8R379 R380 E381R379-R383 PolarHBondContact O-N 3.48Å; R380-R383 WeakPolarHBondContact O-CA 3.26Å; R380-R383 WeakPolarHBondContact O-CB 3.36Å; R380-R383 PolarHBondContact O-N 2.92Å; E381-R383 PolarHBondContact O-N 3.49Å
384H53.9Low57.1Low135 Ų135134.8 Ų134.863%0.62572%0.718SS**Hα-helixtrans-94.7-22.2177.2-66.565.9000112R380 E381 A386R380-H384 PolarHBondContact O-N 2.79Å; R380-H384 VanDerWaalsContact O-N 3.15Å; R380-H384 PolarHBondContact O-ND1 3.27Å; E381-H384 PolarHBondContact O-N 2.98Å; H384-A386 PolarHBondContact O-N 3.36Å; H384-A386 VanDerWaalsContact O-N 3.15Å
385G51.1Low54.3Low77 Ų77132 Ų13279%0.79472%0.717SS**THydrogen-bonded Turntrans-75.114.617100000115.9E381E381-G385 PolarHBondContact O-N 3.16Å; E381-G385 VanDerWaalsContact O-N 3.07Å
386A52.2Low51.7Low87 Ų87136.7 Ų136.772%0.71974%0.742SS**THydrogen-bonded Turntrans-13319.4-17400000113.7H384H384-A386 PolarHBondContact O-N 3.36Å; H384-A386 VanDerWaalsContact O-N 3.15Å
387G47.6Very low49.1Very low58 Ų58131 Ų13160%0.59874%0.74SS**SBendtrans-171.167.4-176.100000115.9
388L42.8Very low47Very low174 Ų174135.3 Ų135.391%0.91176%0.756SS**  -172.8106.6124.1-125.369.7000110.1
389S39.8Very low44.9Very low108 Ų108131 Ų13176%0.75576%0.761SS**  trans-117.8158.3153.9-173.30000107
390L38.7Very low42.8Very low164 Ų164125.9 Ų125.986%0.85976%0.763SS**  trans77.6129.8-169.8-65.876.1000115.7
391G34.9Very low41.4Very low73 Ų73124 Ų12475%0.75377%0.772SS**  trans145.371.8162.500000115.9
392L34.5Very low40.1Very low175 Ų175121.8 Ų121.892%0.91677%0.771SS**  trans3.8124.9156.9-8358.1000119.2
393G30.6Very low39Very low68 Ų68117.4 Ų117.470%0.70177%0.769SS**  91.6128.9100.900000120.4
394V32.3Very low38Very low155 Ų155112.9 Ų112.994%0.93977%0.77SS**  trans75.8110.8147.7-1690000118.8
395G29.9Very low37.1Very low57 Ų57113.9 Ų113.959%0.58878%0.78SS**  113.8128.6118.400000118.8
396L33.6Very low36.3Very low174 Ų174114.7 Ų114.791%0.91177%0.773SS**  trans64.2136.7166.2-69.666.6000115.8
397G30.1Very low35.4Very low65 Ų65116 Ų11667%0.6778%0.776SS**  cis129.4145.2-0.200000112.4
398I37.1Very low34.7Very low164 Ų164117.8 Ų117.884%0.84178%0.78SS**  trans108.2115.4163.1-57.6160.4000117.1
399A36Very low34.2Very low96 Ų96120 Ų12079%0.79378%0.777SS**  trans40.5142.7149.700000122.4
400G32.8Very low33.8Very low70 Ų70121.7 Ų121.772%0.72278%0.776SS**  cis106.692.8-7.700000116.7
401T35.5Very low33.4Very low137 Ų137120.6 Ų120.684%0.8477%0.767SS**  trans-173.7151.5157.442.50000108.3
402S34.6Very low33.2Very low92 Ų92126.5 Ų126.564%0.64377%0.766SS**  cis-161.7128.4-19-86.50000111.7
403T35.3Very low32.9Very low127 Ų127123.4 Ų123.478%0.77975%0.751SS**  trans67.8150.5130.363.30000125.8
404S33.7Very low32.9Very low115 Ų115131 Ų13180%0.80476%0.758SS**  trans76.9106.3168.769.50000116.4
405N35.8Very low32.8Very low156 Ų156127.2 Ų127.283%0.83474%0.743SS**  cis103.7142.713.2-156.723.9000115.4
406S33.8Very low32.8Very low94 Ų94132.5 Ų132.566%0.65775%0.752SS**  trans76.9104.1-177.6-50.20000115.1
407S33.2Very low32.7Very low113 Ų113130.5 Ų130.579%0.7974%0.741SS**  74137.263.885.60000112.6
408S34Very low32.5Very low97 Ų97132.1 Ų132.168%0.67874%0.741SS**  cis-161.1153.320.157.10000114.8
409R32.6Very low32.1Very low221 Ų221130.3 Ų130.383%0.83474%0.738SS**  trans55114141.7-67.1179.8-178.9-154.3-0.6119.6
410L30.9Very low31.7Very low143 Ų143131.1 Ų131.175%0.74974%0.738SS**  68.1131.992.5-83.1139.2000113
411H30.6Very low31.4Very low141 Ų141135.8 Ų135.865%0.65374%0.743SS**  cis-166.9160.245-146.6-62.6000113
412R30.1Very low31Very low196 Ų196138 Ų13874%0.7474%0.741SS**  trans79.3143.4143.6-139.5154.7-165.8140.32.7118
413D29.1Very low30.5Very low111 Ų111139.7 Ų139.759%0.59475%0.753SS**  cis-146.4134.2-12.2-114.9-24.6000105.6
414R30.9Very low30Very low226 Ų226139.2 Ų139.285%0.85376%0.755SS**  84.8126.485.2-174.3177.8-179.9112.35.3116.7
415A29.6Very low29.9Very low76 Ų76139.2 Ų139.263%0.62876%0.755SS**  trans73.5103152.800000122.4
416E29.7Very low29.5Very low168 Ų168137.5 Ų137.579%0.78576%0.755SS**  59.8122.1106-73.5-169.9162.200123.9
417I30.6Very low29.3Very low133 Ų133140.6 Ų140.668%0.68276%0.759SS**  93.2135.9121.8-71.2172.9000121.2
418C26.3Very low29Very low99 Ų99139.8 Ų139.867%0.66975%0.754SS**  trans92.5109.2153.8-87.60000122.7
419T28.8Very low28.8Very low125 Ų125139.4 Ų139.477%0.76776%0.757SS**  103.9139.5113.951.20000123.3
420S27.1Very low28.8Very low114 Ų114137.8 Ų137.880%0.79776%0.759SS**  trans78.1105.8154.371.80000118.1
421M26.5Very low28.8Very low167 Ų167136 Ų13682%0.82376%0.758SS**  trans-132.9128.3155.5-93.5-160.7-160.600109.1
422F28.3Very low28.9Very low183 Ų183137.4 Ų137.480%0.80377%0.765SS**  trans59.3113.1164.5-58.9-69.4000119.7
423S24.3Very low29.6Very low128 Ų128134.1 Ų134.190%0.89577%0.769SS**  trans-137.6119.1136.5-74.70000108.4
424S25Very low29.8Very low117 Ų117139.2 Ų139.282%0.81878%0.78SS**  trans-127.6137.8161.3-88.30000108.1
425S30.7Very low29.7Very low116 Ų116138.8 Ų138.881%0.81179%0.785SS**  trans-55.3155.8-178.3-37.40000113.2
426S28.3Very low29.7Very low120 Ų120138.8 Ų138.884%0.83979%0.792SS**  trans-168140.4142.6-83.20000110.3
427E28.1Very low29.6Very low158 Ų158135.8 Ų135.874%0.73880%0.796SS**  trans154.9148139.6-87.3-149.172.200110.6
428S28.2Very low29.7Very low97 Ų97138.9 Ų138.968%0.67881%0.805SS**  cis-162.4170.8-22.742.50000108.9
429A28.6Very low29.7Very low89 Ų89144.2 Ų144.274%0.73682%0.817SS**  trans-137.2139.917700000110.7
430Q33.4Very low29.5Very low187 Ų187146 Ų14687%0.87482%0.821SS**  trans-177.7160.6170.1-101.3152.213.300109.2
431S30.8Very low29.6Very low106 Ų106147.7 Ų147.774%0.74182%0.818SS**  cis-176.3145.5-38.151.50000110.1
432Q33.3Very low29.7Very low169 Ų169145.6 Ų145.679%0.7982%0.817SS**  trans-6.5159.2155.6-94.3-175.53.800121.9
433P43.3Very low29.6Very low128 Ų128145.5 Ų145.583%0.83181%0.813SS**  -155.1-168.963.742.8-19.2000120.7
434R34.2Very low29.9Very low217 Ų217149.7 Ų149.782%0.81981%0.81SS**  trans-79.9159.6-159.2-60.6165.3165.2165.5-5.1119.4
435F28.7Very low30.6Very low217 Ų217148.1 Ų148.195%0.95280%0.797SS**  -167.8158.4118.9-94.5-73.7000109.5
436G28.9Very low30.6Very low76 Ų76149.7 Ų149.778%0.78480%0.797SS**  cis15568.7-18.800000118.1
437A29Very low30.7Very low106 Ų106151.1 Ų151.188%0.87680%0.8SS**  trans-137.3156.2179.200000115.1
438K31Very low30.8Very low197 Ų197151.6 Ų151.686%0.85781%0.807SS**  trans-104.9137.8178.5-54.3169.3-179.3172.60110.4
439F26.8Very low31.3Very low212 Ų212151.9 Ų151.993%0.9381%0.807SS**  trans-151.4163.6154.9-100.1-72.1000112.4
440L25.8Very low31.1Very low163 Ų163158.8 Ų158.885%0.85382%0.815SS**  trans-93.8159.4-161-77.1149.1000114.4
441M27.8Very low30.8Very low149 Ų149153.8 Ų153.873%0.73481%0.814SS**  trans-64.6155.1172.4-140.9173179.200111.9Y443M441-Y443 HydrophobicContact CE-CD2 3.91Å; M441-Y443 HydrophobicContact CE-CE2 3.76Å; M441-Y443 HydrophobicContact SD-CD2 4.14Å; M441-Y443 HydrophobicContact SD-CE2 4.1Å
442P30Very low30.5Very low123 Ų123156.4 Ų156.480%0.79981%0.808SS**  -134.7158.911436.6-27.7000114.9
443Y25.6Very low30.1Very low181 Ų181154.8 Ų154.871%0.7181%0.809SS**  trans-71.4153.4170.5-91.8-120.3000112.3M441M441-Y443 HydrophobicContact CE-CD2 3.91Å; M441-Y443 HydrophobicContact CE-CE2 3.76Å; M441-Y443 HydrophobicContact SD-CD2 4.14Å; M441-Y443 HydrophobicContact SD-CE2 4.1Å
444Y30.4Very low29.5Very low215 Ų215159.3 Ų159.384%0.84381%0.811SS**  175.5169.4114.9-105.9-102.5000108.5
445P40.3Very low29.2Very low85 Ų85156.4 Ų156.455%0.55281%0.811SS**  -133.5-173.8-12839.6-18.5000115.8
446N30.7Very low29.2Very low149 Ų149153.2 Ų153.280%0.79780%0.804SS**  trans53.8102.8153.7-61.6-20.2000119.5
447T29.7Very low29.3Very low149 Ų149157.5 Ų157.591%0.91481%0.805SS**  -156.7116.6121.543.50000111.4
448L31Very low29.3Very low169 Ų169160.5 Ų160.589%0.88580%0.8SS**  trans-95.9172.6156.2-76.1170.2000108.3
449P37.6Very low29.2Very low103 Ų103158.3 Ų158.367%0.66980%0.797SS**  cis-130.9145.2-25.830.5-13.2000112.6
450Y25.5Very low29.3Very low233 Ų233154.7 Ų154.791%0.91479%0.788SS**  trans-131.8120.3150.4-87.2-81.5000109R452Y450-R452 PolarHBondContact O-N 2.86Å; Y450-R452 VanDerWaalsContact O-N 3.08Å
451G25.5Very low29.6Very low83 Ų83154.1 Ų154.186%0.85678%0.783SS**  trans-68104.9-178.500000110.9
452R26.1Very low29.7Very low160 Ų160154.5 Ų154.560%0.60479%0.787SS**  trans-87.9128.5162.6-81.4177.5151.8148.2-12.4108.6D253 Y450 Y454D253-R452 IonicContact OD2-CZ 3.72Å; D253-R452 IonicContact OD2-NE 3.5Å; D253-R452 PolarHBondContact OD2-NE 2.85Å; D253-R452 IonicContact OD2-NH2 3.82Å; D253-R452 PolarHBondContact OD2-NH2 3.23Å; Y450-R452 PolarHBondContact O-N 2.86Å; Y450-R452 VanDerWaalsContact O-N 3.08Å; R452-Y454 HydrophobicContact CB-CD2 4.36Å; R452-Y454 HydrophobicContact CB-CE2 3.89Å; R452-Y454 WeakPolarHBondContact O-CD2 3.39Å
453V24.3Very low29.7Very low135 Ų135157.1 Ų157.182%0.81879%0.786SS**  trans-85.2114.4163.8-177.50000105.4
454Y29.6Very low30.1Very low223 Ų223154.9 Ų154.988%0.87579%0.793SS**  trans-82.30174-67.3-92.4000110.4S120 R452S120-Y454 WeakPolarHBondContact CB-O 3.39Å; R452-Y454 HydrophobicContact CB-CD2 4.36Å; R452-Y454 HydrophobicContact CB-CE2 3.89Å; R452-Y454 WeakPolarHBondContact O-CD2 3.39Å

Retrieved 454 of 454 residues in 240 ms (Link to these results)