A0A096M1Q8_POEFO Loading...

Fibroblast growth factor binding protein 1b

AlphaFold DB , UniProt , Accession A0A096M1Q8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 258 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low47.6Very low241 Ų241146.4 Ų146.4100%1.18783%0.827SS**  0113.90-67.6-165172.100108.5
2P48Very low47.1Very low129 Ų129146.9 Ų146.984%0.83883%0.826SS**  trans-91.4124.6177.732.7-26.2000110.5
3G45.6Very low46.3Very low84 Ų84147 Ų14787%0.86682%0.819SS**  trans-96.299.6174.300000111.1
4F45.2Very low46.4Very low191 Ų191152.1 Ų152.184%0.83882%0.819SS**  trans-66.9136.2156.8-107.4-108.2000109.2
5F52.8Low46.4Very low187 Ų187148.3 Ų148.382%0.8280%0.803SS**  trans-159.5113.3134.3-118.8-83.7000110.4
6S47.4Very low46.1Very low99 Ų99150.8 Ų150.869%0.69281%0.807SS**  trans-66.4161.6162.7-161.80000110.7
7K48.4Very low46Very low165 Ų165150.6 Ų150.672%0.71780%0.8SS**  trans148.3131.8162.1-83.8167.8-176.9-173.60107.5
8D44.2Very low45.9Very low142 Ų142150.1 Ų150.176%0.75980%0.797SS**  cis-163.2147-8.2-88-46.4000105.3
9L42.3Very low45.5Very low156 Ų156150.5 Ų150.582%0.81780%0.8SS**  trans-77.9159.4163.1-129.382.2000109.1
10P55.8Low45Very low127 Ų127146.4 Ų146.483%0.82579%0.794SS**  -145158.599.734.2-17.2000116
11A50.6Low44.6Very low89 Ų89143 Ų14374%0.73679%0.793SS**  trans-68.8150170.900000112.9
12N41.5Very low44.7Very low153 Ų153143.4 Ų143.482%0.81878%0.782SS**  trans-157.3148.3135.9-151.5-0.4000112.7
13M37.3Very low44.4Very low148 Ų148141.9 Ų141.973%0.72978%0.78SS**  trans-127133.9-163.4171.8169.1-179.400107.5V15M13-V15 HydrophobicContact CE-CG2 3.74Å; M13-V15 HydrophobicContact CG-CG2 3.99Å
14R46.7Very low44.4Very low218 Ų218143 Ų14382%0.82378%0.781SS**  trans-154.9108.4154.5-70.9-167.2-155.81505.8104.9
15V46.5Very low44.5Very low96 Ų96142.1 Ų142.158%0.58278%0.78SS**  45.494.859.3-168.10000112M13M13-V15 HydrophobicContact CE-CG2 3.74Å; M13-V15 HydrophobicContact CG-CG2 3.99Å
16H42Very low44.3Very low187 Ų187144.8 Ų144.887%0.86678%0.784SS**  trans-140.1113.3141.6-94.8-83.6000107.8
17E44.7Very low44.2Very low149 Ų149149.9 Ų149.970%0.69679%0.788SS**  trans-101.2167.6177-162.2-176.6111.700109.3
18L44.8Very low43.9Very low140 Ų140148.7 Ų148.773%0.73379%0.787SS**  trans78133.7163.9-50.4170.8000113.8
19N37.9Very low44.4Very low159 Ų159151.9 Ų151.985%0.8579%0.794SS**  cis-176.3170.426.7-156.3-14.8000109.1
20G34.8Very low44.4Very low67 Ų67150.9 Ų150.969%0.69179%0.79SS**  trans117.478.2146.800000116.5
21G37.2Very low43.7Very low75 Ų75156.2 Ų156.277%0.77379%0.793SS**  trans-67.2163.5164.300000113.5
22R45.1Very low43.5Very low250 Ų250156.3 Ų156.394%0.94379%0.794SS**  trans-157.7124.2144.8-136174.9-95.2-169.4-6.3111.3
23A41.2Very low44.1Very low97 Ų97155.1 Ų155.180%0.80280%0.795SS**  trans-59.2149.9169.200000112.3
24A46.4Very low44.3Very low109 Ų109151.4 Ų151.490%0.90180%0.795SS**  trans-147.190.7156.500000110.1
25Q47.3Very low43.9Very low171 Ų171149.6 Ų149.680%0.79980%0.795SS**  trans-93.6119.7166.9-179.5159.7-38.800108.5
26R49.3Very low43.7Very low243 Ų243156.1 Ų156.192%0.91781%0.809SS**  trans-152.3101.3157.7-67.3-167.7-160.9-144.83106.6
27R44.7Very low43.6Very low206 Ų206154.9 Ų154.978%0.77780%0.804SS**  44.6110.972.6-101-159-168.7-169.65.2115.2
28M42.4Very low43.4Very low140 Ų140154 Ų15469%0.6981%0.809SS**  trans69115.8139.7-62-169.9177.600119.7
29K53.4Low43.3Very low209 Ų209155.1 Ų155.191%0.90981%0.81SS**  trans-143.4108.9132.7-152.493.7178.6-168.50110
30N42.1Very low43.7Very low136 Ų136153.2 Ų153.273%0.72781%0.806SS**  trans-55.8161.5164.2-63.7-31.5000111.1
31R42.9Very low44Very low238 Ų238155.8 Ų155.890%0.89881%0.809SS**  162.4113.9108.7-163.5165-157.9164.43111.6
32A44.8Very low44Very low92 Ų92155.5 Ų155.576%0.7681%0.806SS**  trans-75.7153.7153.900000109.9
33P54.9Low43.5Very low128 Ų128153 Ų15383%0.83180%0.802SS**  -139.4162.4119.135.8-21.6000109.6
34G41.4Very low43.4Very low70 Ų70153.3 Ų153.372%0.72279%0.794SS**  cis154.5125.717.800000105.4
35H37.8Very low43Very low179 Ų179156.7 Ų156.783%0.82979%0.791SS**  trans-47.6137174.3-128.6-107.8000111.5
36R42.8Very low42.6Very low234 Ų234153.8 Ų153.888%0.88379%0.788SS**  trans-126101.9159-154.7179.1-139.7163.64.5109.2
37E38.9Very low42.2Very low161 Ų161145.7 Ų145.775%0.75278%0.78SS**  trans-74.9128.1168.7-155.7163.3134.200108.2
38T41.5Very low42.3Very low131 Ų131142.1 Ų142.180%0.80478%0.781SS**  trans-148.599.91653.70000107.4
39Q42.9Very low42.2Very low163 Ų163143 Ų14376%0.76279%0.788SS**  trans-98.7143.2158.2-169.1171.5400106.8
40P46.4Very low41.9Very low118 Ų118141.2 Ų141.277%0.76678%0.783SS**  -135.8145.6120.328.8-12.9000113.3
41T40.8Very low42.4Very low122 Ų122140.9 Ų140.975%0.74879%0.791SS**  trans-51.7155.4161.546.10000114.4
42G37.2Very low42.9Very low68 Ų68131.8 Ų131.870%0.70177%0.772SS**  trans130.5104.3153.900000112.2
43F34.2Very low43.3Very low199 Ų199129.3 Ų129.387%0.87376%0.755SS**  100.1104.787.4-129.9-102.9000110.4
44T39.1Very low43.3Very low102 Ų102131.9 Ų131.963%0.62675%0.753SS**  50.7111.1129.9-33.70000118
45H38.6Very low44Very low180 Ų180132.3 Ų132.383%0.83375%0.745SS**  -172.1154.5108.1-133.5-112.3000114.3
46C39.8Very low45.1Very low111 Ų111128.2 Ų128.275%0.7573%0.732SS**  trans-56.1149.2178.2-163.20000114.4
47G39.4Very low45.8Very low72 Ų72122.2 Ų122.274%0.74272%0.717SS**  trans-178.884.3172.800000114.3
48T46.5Very low47Very low131 Ų131120.6 Ų120.680%0.80471%0.708SS**  trans-36.9125.7162.8-45.80000113.1
49L40.6Very low48Very low160 Ų160120.5 Ų120.584%0.83870%0.696SS**  trans-161.1120.5158-133.874.9000115.4
50H46.8Very low49Very low170 Ų170116.1 Ų116.179%0.78768%0.677SS**  trans66.7105.2143.8-98-168.3000122.4G52H50-G52 PolarHBondContact O-N 3.46Å
51S53.3Low49.7Very low130 Ų130117.8 Ų117.891%0.90967%0.673SS**THydrogen-bonded Turntrans-61.621.3165.1-156.80000115.8
52G53.9Low50.6Low47 Ų47115.7 Ų115.749%0.48566%0.657SS.*THydrogen-bonded Turntrans-107.5-21.5-178.700000115.2H50H50-G52 PolarHBondContact O-N 3.46Å
53G52.7Low51.7Low40 Ų40117.6 Ų117.641%0.41265%0.65SS.*Hα-helixtrans-79.6-24.3-176.700000114.5C55 L57G53-C55 PolarHBondContact O-N 3.47Å; G53-L57 WeakPolarHBondContact O-CG 3.19Å; G53-L57 PolarHBondContact O-N 3.39Å
54F54.8Low52.8Low181 Ų181115 Ų11579%0.79464%0.638SS**Hα-helixtrans-66.8-37.1-178.5-105-94.5000112.4F58F54-F58 WeakPolarHBondContact O-CB 3.2Å; F54-F58 PolarHBondContact O-N 3.41Å
55C56.5Low53.8Low80 Ų80113.1 Ų113.154%0.54163%0.634SS.*Hα-helixtrans-69.7-43.1-177-157.30000111.9G53 F58 F59G53-C55 PolarHBondContact O-N 3.47Å; C55-F58 PolarHBondContact O-N 3.45Å; C55-F59 WeakPolarHBondContact O-CD2 3.24Å; C55-F59 PolarHBondContact O-N 3.32Å
56V60.6Low54.8Low92 Ų92109.1 Ų109.156%0.55862%0.622SS**Hα-helixtrans-69.4-41.5-179.5-175.40000111.6F59 I60V56-F59 PolarHBondContact O-N 2.79Å; V56-I60 HydrophobicContact CG1-CD1 4.15Å; V56-I60 WeakPolarHBondContact O-CG1 3.36Å; V56-I60 PolarHBondContact O-N 3.17Å
57L58.5Low55.8Low108 Ų108108.5 Ų108.557%0.56561%0.609SS**Hα-helixtrans-67.6-37.8175.7-69174.2000111.6G53 I60 F61G53-L57 WeakPolarHBondContact O-CG 3.19Å; G53-L57 PolarHBondContact O-N 3.39Å; L57-I60 PolarHBondContact O-N 3.01Å; L57-F61 WeakPolarHBondContact O-CB 3.44Å; L57-F61 WeakPolarHBondContact O-CD2 3.41Å; L57-F61 PolarHBondContact O-N 2.84Å
58F62.8Low56.8Low128 Ų128112.6 Ų112.656%0.56161%0.606SS**Hα-helixtrans-64.5-42.6175.1-162.1-104.9000111.8F54 C55 I60 F61 L62F54-F58 WeakPolarHBondContact O-CB 3.2Å; F54-F58 PolarHBondContact O-N 3.41Å; C55-F58 PolarHBondContact O-N 3.45Å; F58-I60 PolarHBondContact O-N 3.41Å; F58-F61 PolarHBondContact O-N 2.72Å; F58-L62 HydrophobicContact CD1-CD1 3.57Å; F58-L62 HydrophobicContact CD1-CG 4.13Å; F58-L62 HydrophobicContact CE1-CD1 3.59Å; F58-L62 HydrophobicContact CE1-CD2 4.39Å; F58-L62 HydrophobicContact CE1-CG 4.12Å; F58-L62 WeakPolarHBondContact O-CB 3.38Å; F58-L62 VanDerWaalsContact O-CG 3.26Å; F58-L62 WeakPolarHBondContact O-CG 3.16Å; F58-L62 PolarHBondContact O-N 2.78Å
59F62.5Low57.5Low129 Ų129109.4 Ų109.457%0.56659%0.588SS**Hα-helixtrans-63.2-40173.8-95.8-82.4000113.1C55 V56 L62 L63C55-F59 WeakPolarHBondContact O-CD2 3.24Å; C55-F59 PolarHBondContact O-N 3.32Å; V56-F59 PolarHBondContact O-N 2.79Å; F59-L62 PolarHBondContact O-N 2.79Å; F59-L63 WeakPolarHBondContact O-CB 3.39Å; F59-L63 WeakPolarHBondContact O-CD1 3.48Å; F59-L63 VanDerWaalsContact O-CG 3.31Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 2.66Å
60I63.8Low58.7Low71 Ų71107.6 Ų107.636%0.36458%0.578SS.*Hα-helixtrans-66.5-38.4174.8-68.5168.4000111.1V56 L57 F58 K64V56-I60 HydrophobicContact CG1-CD1 4.15Å; V56-I60 WeakPolarHBondContact O-CG1 3.36Å; V56-I60 PolarHBondContact O-N 3.17Å; L57-I60 PolarHBondContact O-N 3.01Å; F58-I60 PolarHBondContact O-N 3.41Å; I60-K64 HydrophobicContact CG2-CD 4.21Å; I60-K64 WeakPolarHBondContact O-CB 3.37Å; I60-K64 WeakPolarHBondContact O-CG 2.97Å; I60-K64 PolarHBondContact O-N 3.07Å
61F61.8Low59.8Low152 Ų152107.5 Ų107.567%0.66757%0.571SS**Hα-helixtrans-65.5-40.7173.8-100.1-88.5000111.8L57 F58 K64 A65L57-F61 WeakPolarHBondContact O-CB 3.44Å; L57-F61 WeakPolarHBondContact O-CD2 3.41Å; L57-F61 PolarHBondContact O-N 2.84Å; F58-F61 PolarHBondContact O-N 2.72Å; F61-K64 PolarHBondContact O-N 3.17Å; F61-A65 WeakPolarHBondContact O-CB 3.32Å; F61-A65 PolarHBondContact O-N 3.17Å
62L60Low60.9Low79 Ų79103.2 Ų103.241%0.41454%0.544SS..Hα-helixtrans-66.2-43.7175.2-71.8172.2000112F58 F59 K64 A65 V66F58-L62 HydrophobicContact CD1-CD1 3.57Å; F58-L62 HydrophobicContact CD1-CG 4.13Å; F58-L62 HydrophobicContact CE1-CD1 3.59Å; F58-L62 HydrophobicContact CE1-CD2 4.39Å; F58-L62 HydrophobicContact CE1-CG 4.12Å; F58-L62 WeakPolarHBondContact O-CB 3.38Å; F58-L62 VanDerWaalsContact O-CG 3.26Å; F58-L62 WeakPolarHBondContact O-CG 3.16Å; F58-L62 PolarHBondContact O-N 2.78Å; F59-L62 PolarHBondContact O-N 2.79Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.09Å; L62-A65 PolarHBondContact O-N 3.25Å; L62-V66 WeakPolarHBondContact O-CB 3.4Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.16Å; L62-V66 PolarHBondContact O-N 2.96Å
63L59.4Low62.1Low107 Ų107106.6 Ų106.656%0.5655%0.55SS*.Hα-helixtrans-61.5-41.1175-76.6161.9000111.8F59 M67F59-L63 WeakPolarHBondContact O-CB 3.39Å; F59-L63 WeakPolarHBondContact O-CD1 3.48Å; F59-L63 VanDerWaalsContact O-CG 3.31Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 2.66Å; L63-M67 WeakPolarHBondContact O-CB 3.36Å; L63-M67 WeakPolarHBondContact O-CG 3.49Å; L63-M67 PolarHBondContact O-N 3.44Å; L63-M67 VanDerWaalsContact O-N 3.08Å
64K57.7Low63.5Low144 Ų144110.6 Ų110.663%0.62656%0.556SS**Hα-helixtrans-69.6-38.8174.1-76.6176.4175.7148.60112.4I60 F61 L62 V66 F68I60-K64 HydrophobicContact CG2-CD 4.21Å; I60-K64 WeakPolarHBondContact O-CB 3.37Å; I60-K64 WeakPolarHBondContact O-CG 2.97Å; I60-K64 PolarHBondContact O-N 3.07Å; F61-K64 PolarHBondContact O-N 3.17Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.09Å; K64-V66 VanDerWaalsContact C-N 3.34Å; K64-V66 PolarHBondContact O-N 2.99Å; K64-F68 VanDerWaalsContact O-CB 3.22Å; K64-F68 WeakPolarHBondContact O-CB 3.45Å; K64-F68 PolarHBondContact O-N 2.78Å
65A59.3Low64.9Low64 Ų64105.5 Ų105.553%0.52954%0.543SS..Hα-helixtrans-67.8-31.8179.100000112.7F61 L62 P69F61-A65 WeakPolarHBondContact O-CB 3.32Å; F61-A65 PolarHBondContact O-N 3.17Å; L62-A65 PolarHBondContact O-N 3.25Å; A65-P69 WeakPolarHBondContact O-CD 3.39Å
66V60.2Low66.4Low96 Ų96106.4 Ų106.458%0.58254%0.542SS*.Hα-helixtrans-85.8-31.7178.1178.20000112.3L62 K64 P69 L70L62-V66 WeakPolarHBondContact O-CB 3.4Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.16Å; L62-V66 PolarHBondContact O-N 2.96Å; K64-V66 VanDerWaalsContact C-N 3.34Å; K64-V66 PolarHBondContact O-N 2.99Å; V66-P69 WeakPolarHBondContact O-CD 3.16Å; V66-P69 WeakPolarHBondContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CD1 3.43Å
67M60.4Low67.7Low97 Ų97109.9 Ų109.948%0.47855%0.545SS..Hα-helixtrans-82.2-21.6177.2-72.7179.166.700114.6L63 R71L63-M67 WeakPolarHBondContact O-CB 3.36Å; L63-M67 WeakPolarHBondContact O-CG 3.49Å; L63-M67 PolarHBondContact O-N 3.44Å; L63-M67 VanDerWaalsContact O-N 3.08Å; M67-R71 PolarHBondContact O-N 3.48Å
68F59.8Low69.1Low159 Ų159108.5 Ų108.570%0.69754%0.537SS*.Hα-helixtrans-65.8-43.9177.6-165.5-100.9000114.5K64 L70 R71 A72K64-F68 VanDerWaalsContact O-CB 3.22Å; K64-F68 WeakPolarHBondContact O-CB 3.45Å; K64-F68 PolarHBondContact O-N 2.78Å; F68-L70 PolarHBondContact O-N 2.89Å; F68-R71 PolarHBondContact O-N 3.41Å; F68-A72 PolarHBondContact O-N 3.02Å
69P61.5Low70.2Confident63 Ų63109 Ų10941%0.40954%0.54SS..Hα-helixtrans-66.4-35.6177.624.6-34.2000112.4A65 V66 R71 A72 L73A65-P69 WeakPolarHBondContact O-CD 3.39Å; V66-P69 WeakPolarHBondContact O-CD 3.16Å; V66-P69 WeakPolarHBondContact O-CG 3.25Å; P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 2.86Å; P69-A72 PolarHBondContact O-N 3.1Å; P69-L73 WeakPolarHBondContact O-CB 3.48Å; P69-L73 VanDerWaalsContact O-CG 3.22Å; P69-L73 WeakPolarHBondContact O-CG 3.02Å; P69-L73 PolarHBondContact O-N 3.22Å
70L65.8Low71.4Confident122 Ų122107.5 Ų107.564%0.63954%0.537SS*.Hα-helixtrans-64.3-38.3175.2-86.998000112.4V66 F68 F74V66-L70 WeakPolarHBondContact O-CD1 3.43Å; F68-L70 PolarHBondContact O-N 2.89Å; L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.09Å
71R70.4Confident72.6Confident168 Ų168107.2 Ų107.263%0.63454%0.538SS*.Hα-helixtrans-69.7-36.6175.9-75.9-169.4166.2127-0.8112.7M67 F68 P69 S75M67-R71 PolarHBondContact O-N 3.48Å; F68-R71 PolarHBondContact O-N 3.41Å; P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 2.86Å; R71-S75 WeakPolarHBondContact O-CB 3.5Å; R71-S75 PolarHBondContact O-N 3.12Å; R71-S75 PolarHBondContact O-OG 3Å
72A75.8Confident73.6Confident41 Ų41104.1 Ų104.134%0.33953%0.528SS..Hα-helixtrans-65.5-46174.300000111.2F68 P69 F74 S75 I76F68-A72 PolarHBondContact O-N 3.02Å; P69-A72 PolarHBondContact O-N 3.1Å; A72-F74 PolarHBondContact O-N 3.32Å; A72-S75 PolarHBondContact O-N 3.4Å; A72-I76 WeakPolarHBondContact O-CD1 3.4Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.42Å; A72-I76 PolarHBondContact O-N 3.44Å
73L80.3Confident74.7Confident117 Ų117104.5 Ų104.561%0.61353%0.53SS*.Hα-helixtrans-63.3-40.8176.7-68.9173000112.1P69 I76 W77P69-L73 WeakPolarHBondContact O-CB 3.48Å; P69-L73 VanDerWaalsContact O-CG 3.22Å; P69-L73 WeakPolarHBondContact O-CG 3.02Å; P69-L73 PolarHBondContact O-N 3.22Å; L73-I76 PolarHBondContact O-N 3.11Å; L73-W77 VanDerWaalsContact O-CB 3.26Å; L73-W77 WeakPolarHBondContact O-CB 3.35Å; L73-W77 PolarHBondContact O-N 2.99Å
74F82.4Confident75.8Confident125 Ų125106.4 Ų106.455%0.54853%0.534SS..Hα-helixtrans-65.4-38.6175-171.6-100000112.3L70 A72 W77 L78L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.09Å; A72-F74 PolarHBondContact O-N 3.32Å; F74-W77 HydrophobicContact CE2-CE3 4.44Å; F74-W77 PolarHBondContact O-N 3.3Å; F74-L78 VanDerWaalsContact O-CB 3.29Å; F74-L78 WeakPolarHBondContact O-CB 3.11Å; F74-L78 PolarHBondContact O-N 3.13Å
75S82.4Confident76.8Confident73 Ų73103.8 Ų103.851%0.5153%0.527SS..Hα-helixtrans-67-41.8177-58.40000111.9R71 A72 F79R71-S75 WeakPolarHBondContact O-CB 3.5Å; R71-S75 PolarHBondContact O-N 3.12Å; R71-S75 PolarHBondContact O-OG 3Å; A72-S75 PolarHBondContact O-N 3.4Å; S75-F79 WeakPolarHBondContact O-CB 3.24Å; S75-F79 PolarHBondContact O-N 3.38Å
76I87.9Confident77.5Confident100 Ų100109.8 Ų109.851%0.51354%0.535SS..Hα-helixtrans-64.7-45.4174.7-67.8162.7000110.3A72 L73 L78 F79 L80A72-I76 WeakPolarHBondContact O-CD1 3.4Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.42Å; A72-I76 PolarHBondContact O-N 3.44Å; L73-I76 PolarHBondContact O-N 3.11Å; I76-L78 PolarHBondContact O-N 3.34Å; I76-F79 WeakPolarHBondContact O-CB 3.16Å; I76-F79 PolarHBondContact O-N 3.35Å; I76-L80 HydrophobicContact CG2-CD1 4.13Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.04Å; I76-L80 PolarHBondContact O-N 3.33Å
77W88.6Confident77.9Confident164 Ų164110.2 Ų110.262%0.62153%0.534SS*.Hα-helixtrans-61.7-44.6177.6-171.979.1000111.9L73 F74 F79 L80 V81L73-W77 VanDerWaalsContact O-CB 3.26Å; L73-W77 WeakPolarHBondContact O-CB 3.35Å; L73-W77 PolarHBondContact O-N 2.99Å; F74-W77 HydrophobicContact CE2-CE3 4.44Å; F74-W77 PolarHBondContact O-N 3.3Å; W77-F79 VanDerWaalsContact C-N 3.33Å; W77-F79 PolarHBondContact O-N 3.03Å; W77-L80 PolarHBondContact O-N 3.46Å; W77-V81 HydrophobicContact CD2-CG2 4.26Å; W77-V81 HydrophobicContact CE3-CG2 4.43Å; W77-V81 HydrophobicContact CH2-CG2 4.49Å; W77-V81 HydrophobicContact CZ2-CG2 4.31Å; W77-V81 VanDerWaalsContact O-CG2 3.32Å; W77-V81 WeakPolarHBondContact O-CG2 3.39Å; W77-V81 PolarHBondContact O-N 3.13Å
78L87.5Confident78Confident79 Ų79111.5 Ų111.541%0.41454%0.542SS..Hα-helixtrans-61.6-41.1174.5-175.564.6000111.7F74 I76 V81 L82F74-L78 VanDerWaalsContact O-CB 3.29Å; F74-L78 WeakPolarHBondContact O-CB 3.11Å; F74-L78 PolarHBondContact O-N 3.13Å; I76-L78 PolarHBondContact O-N 3.34Å; L78-V81 PolarHBondContact O-N 3.12Å; L78-L82 HydrophobicContact CG-CD1 4.18Å; L78-L82 WeakPolarHBondContact O-CB 3.48Å; L78-L82 VanDerWaalsContact O-CG 3.26Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.21Å
79F86.3Confident77.9Confident140 Ų140113.2 Ų113.261%0.61454%0.544SS*.Hα-helixtrans-63.6-41.5176.2-168.6-93.2000112.1S75 I76 W77 L82 L83S75-F79 WeakPolarHBondContact O-CB 3.24Å; S75-F79 PolarHBondContact O-N 3.38Å; I76-F79 WeakPolarHBondContact O-CB 3.16Å; I76-F79 PolarHBondContact O-N 3.35Å; W77-F79 VanDerWaalsContact C-N 3.33Å; W77-F79 PolarHBondContact O-N 3.03Å; F79-L82 PolarHBondContact O-N 3.25Å; F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 3.01Å
80L87.6Confident77.6Confident96 Ų96114.2 Ų114.250%0.50356%0.557SS.*Hα-helixtrans-65.4-39.3175.2-69.7172.8000112.3I76 W77 L83 K84I76-L80 HydrophobicContact CG2-CD1 4.13Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.04Å; I76-L80 PolarHBondContact O-N 3.33Å; W77-L80 PolarHBondContact O-N 3.46Å; L80-L83 PolarHBondContact O-N 2.61Å; L80-K84 WeakPolarHBondContact O-CB 3.45Å; L80-K84 PolarHBondContact O-N 2.85Å
81V89.3Confident76.9Confident65 Ų65113 Ų11339%0.39456%0.559SS.*Hα-helixtrans-64.4-43.4173.9170.80000110.9W77 L78 K84 L85W77-V81 HydrophobicContact CD2-CG2 4.26Å; W77-V81 HydrophobicContact CE3-CG2 4.43Å; W77-V81 HydrophobicContact CH2-CG2 4.49Å; W77-V81 HydrophobicContact CZ2-CG2 4.31Å; W77-V81 VanDerWaalsContact O-CG2 3.32Å; W77-V81 WeakPolarHBondContact O-CG2 3.39Å; W77-V81 PolarHBondContact O-N 3.13Å; L78-V81 PolarHBondContact O-N 3.12Å; V81-K84 PolarHBondContact O-N 3.41Å; V81-L85 WeakPolarHBondContact O-CB 3.08Å; V81-L85 PolarHBondContact O-N 2.82Å
82L83.5Confident75.7Confident88 Ų88108 Ų10846%0.46156%0.56SS.*Hα-helixtrans-64.3-39.5175.4-72.3169.7000111.8L78 F79 L85 R86L78-L82 HydrophobicContact CG-CD1 4.18Å; L78-L82 WeakPolarHBondContact O-CB 3.48Å; L78-L82 VanDerWaalsContact O-CG 3.26Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.21Å; F79-L82 PolarHBondContact O-N 3.25Å; L82-L85 PolarHBondContact O-N 2.85Å; L82-R86 WeakPolarHBondContact O-CG 3.4Å; L82-R86 PolarHBondContact O-N 3.26Å
83L82.4Confident74.3Confident86 Ų86110.7 Ų110.745%0.4558%0.582SS.*Hα-helixtrans-64.7-45176.1-171.167000111.5F79 L80 L85 R86 L87F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 3.01Å; L80-L83 PolarHBondContact O-N 2.61Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.22Å; L83-R86 PolarHBondContact O-N 2.04Å; L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 PolarHBondContact O-N 2.8Å
84K82.4Confident72.4Confident148 Ų148114 Ų11464%0.64359%0.592SS**Hα-helixtrans-57.4-44.4172.2-82.8-94.2-174.5174.20111.6L80 V81 R86 L87 L88L80-K84 WeakPolarHBondContact O-CB 3.45Å; L80-K84 PolarHBondContact O-N 2.85Å; V81-K84 PolarHBondContact O-N 3.41Å; K84-R86 VanDerWaalsContact C-N 3.33Å; K84-R86 PolarHBondContact O-N 2.93Å; K84-L87 PolarHBondContact O-N 2.87Å; K84-L88 WeakPolarHBondContact O-CD1 3.41Å; K84-L88 PolarHBondContact O-N 2.99Å
85L78.1Confident70.7Confident89 Ų89115.3 Ų115.347%0.46660%0.599SS.*Hα-helixtrans-66-34.4178.3-172.463.6000112.6V81 L82 L83 R89V81-L85 WeakPolarHBondContact O-CB 3.08Å; V81-L85 PolarHBondContact O-N 2.82Å; L82-L85 PolarHBondContact O-N 2.85Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.22Å; L85-R89 PolarHBondContact O-N 3.25Å; L85-R89 VanDerWaalsContact O-N 3.13Å
86R75.4Confident68.9Low190 Ų190118.1 Ų118.172%0.71762%0.616SS**Hα-helixtrans-68.7-42.3173.6-68.2-76.5-174.9163.13.2111.7L82 L83 K84 R89 A90L82-R86 WeakPolarHBondContact O-CG 3.4Å; L82-R86 PolarHBondContact O-N 3.26Å; L83-R86 PolarHBondContact O-N 2.04Å; K84-R86 VanDerWaalsContact C-N 3.33Å; K84-R86 PolarHBondContact O-N 2.93Å; R86-R89 PolarHBondContact O-N 2.84Å; R86-A90 PolarHBondContact O-N 3.21Å
87L68.4Low67Low104 Ų104117.3 Ų117.355%0.54563%0.632SS.*Hα-helixtrans-63.2-40.8175.6-81.7154.3000112.3L83 K84 A90 S91L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 PolarHBondContact O-N 2.8Å; K84-L87 PolarHBondContact O-N 2.87Å; L87-A90 PolarHBondContact O-N 3.35Å; L87-S91 PolarHBondContact O-N 3.32Å
88L61.9Low65Low125 Ų125113.3 Ų113.365%0.65463%0.626SS**Hα-helixtrans-65.9-36.8174.3-93.277.7000112.2K84 A90 S91K84-L88 WeakPolarHBondContact O-CD1 3.41Å; K84-L88 PolarHBondContact O-N 2.99Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 3.11Å; L88-S91 PolarHBondContact O-N 3.45Å
89R57.2Low63.6Low195 Ų195112.2 Ų112.274%0.73663%0.628SS**Hα-helixtrans-70.3-25173.6-102.4-173.3179.296.3-2.7113.8L85 R86 S91L85-R89 PolarHBondContact O-N 3.25Å; L85-R89 VanDerWaalsContact O-N 3.13Å; R86-R89 PolarHBondContact O-N 2.84Å; R89-S91 VanDerWaalsContact C-N 3.32Å
90A55.1Low62.8Low83 Ų83113 Ų11369%0.68663%0.633SS**Hα-helixtrans-77.2-20.9176.100000112.4R86 L87 L88 G92R86-A90 PolarHBondContact O-N 3.21Å; L87-A90 PolarHBondContact O-N 3.35Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 3.11Å; A90-G92 PolarHBondContact O-N 3.17Å; A90-G92 VanDerWaalsContact O-N 3.11Å
91S51.4Low62.6Low98 Ų98114.1 Ų114.169%0.68564%0.636SS**  trans-86.557.6171.9-63.10000111.1L87 L88 R89 A93L87-S91 PolarHBondContact O-N 3.32Å; L88-S91 PolarHBondContact O-N 3.45Å; R89-S91 VanDerWaalsContact C-N 3.32Å; S91-A93 VanDerWaalsContact C-N 3.35Å; S91-A93 PolarHBondContact O-N 2.93Å
92G46.5Very low62.7Low62 Ų62113 Ų11364%0.63963%0.627SS**  trans-65.4101.9156.100000107.1A90 K94A90-G92 PolarHBondContact O-N 3.17Å; A90-G92 VanDerWaalsContact O-N 3.11Å; G92-K94 PolarHBondContact O-N 3.21Å
93A45.3Very low63.1Low98 Ų98109.3 Ų109.381%0.8161%0.61SS**  trans-48.7103.8-179.700000110.6S91 Q95S91-A93 VanDerWaalsContact C-N 3.35Å; S91-A93 PolarHBondContact O-N 2.93Å; A93-Q95 PolarHBondContact O-N 2.04Å
94K41.8Very low63.7Low187 Ų187106.9 Ų106.981%0.81361%0.606SS**  trans-72.8111.7168.5-170.5164.5-176.1-179.80106.2G92G92-K94 PolarHBondContact O-N 3.21Å
95Q46.8Very low64.3Low152 Ų152101.2 Ų101.271%0.7159%0.59SS**  trans-59150.1176.4-77.4-174.2-30.700111A93 G97A93-Q95 PolarHBondContact O-N 2.04Å; Q95-G97 PolarHBondContact O-N 3.5Å
96P44Very low65.2Low132 Ų132102.2 Ų102.286%0.85760%0.6SS**THydrogen-bonded Turntrans-73.3129.3-176.3-3.821.6000110.2
97G47.3Very low66.1Low83 Ų8393.8 Ų93.886%0.85657%0.568SS**THydrogen-bonded Turntrans97.811.2162.400000118.3Q95 A99Q95-G97 PolarHBondContact O-N 3.5Å; G97-A99 PolarHBondContact O-N 3.39Å
98V47.3Very low67.4Low80 Ų8092.3 Ų92.349%0.48556%0.564SS.*  trans-83117-175.6173.40000111.6
99A56.6Low68.8Low56 Ų5687 Ų8746%0.46354%0.536SS..  trans-41.6139.1162.700000110.6G97 Q101G97-A99 PolarHBondContact O-N 3.39Å; A99-Q101 PolarHBondContact O-N 3.29Å
100Q69.9Low70.4Confident156 Ų15681.8 Ų81.873%0.72953%0.53SS*.  trans-36.8107.1-176.3-168.895.8-18.700111.7I102Q100-I102 PolarHBondContact O-N 3.34Å
101Q84.4Confident71.9Confident119 Ų11981.7 Ų81.756%0.55652%0.518SS*.EExtended strand (participates in β ladder)trans-75.5110.9-176.7-174.8-173.8-92.100109.5A99 G103 S118 A119A99-Q101 PolarHBondContact O-N 3.29Å; Q101-G103 WeakPolarHBondContact CG-O 3.11Å; Q101-S118 VanDerWaalsContact OE1-CB 3.31Å; Q101-A119 CarbonylContact C-O 3.53Å; Q101-A119 WeakPolarHBondContact CA-O 3.22Å
102I91Very high73.7Confident42 Ų4278.4 Ų78.422%0.21550%0.499CS..EExtended strand (participates in β ladder)trans-92.7-13.7-178.160.4172.2000113.3Q100 A119 E121 V126 W163Q100-I102 PolarHBondContact O-N 3.34Å; I102-A119 HydrophobicContact CG1-CB 3.89Å; I102-A119 PolarHBondContact N-O 3.11Å; I102-E121 HydrophobicContact CD1-CG 3.96Å; I102-E121 HydrophobicContact CG2-CG 3.98Å; I102-V126 HydrophobicContact CD1-CG1 3.81Å; I102-V126 HydrophobicContact CD1-CG2 4.06Å; I102-W163 HydrophobicContact CD1-CZ2 3.54Å; I102-W163 HydrophobicContact CG1-CZ2 3.85Å; I102-W163 PolarHBondContact O-NE1 3.4Å
103G92.3Very high75.8Confident10 Ų1076.2 Ų76.210%0.10347%0.473CS..EExtended strand (participates in β ladder)trans-164.2160.3176.500000111.1Q101 S118 A119Q101-G103 WeakPolarHBondContact CG-O 3.11Å; G103-S118 WeakPolarHBondContact O-CA 3.36Å; G103-A119 PolarHBondContact O-N 2.87Å
104G95.1Very high78.2Confident35 Ų3578.5 Ų78.536%0.36146%0.461SS..EExtended strand (participates in β ladder)trans179.4171.1177.400000113.1W117G104-W117 CarbonylContact C-O 3.5Å; G104-W117 WeakPolarHBondContact CA-O 3.5Å
105G95.3Very high80.7Confident29 Ų2969.7 Ų69.730%0.29942%0.423SS..EExtended strand (participates in β ladder)trans174-178.8176.200000112.9A116 W117G105-A116 WeakPolarHBondContact O-CA 3.49Å; G105-W117 PolarHBondContact N-O 2.92Å; G105-W117 PolarHBondContact O-N 2.89Å
106T95.8Very high83Confident111 Ų11164.7 Ų64.768%0.68141%0.407SS*.EExtended strand (participates in β ladder)trans-130.9153.4177.160.50000110.5C115 A116T106-C115 CarbonylContact C-O 3.5Å; T106-C115 WeakPolarHBondContact CA-O 3.27Å; T106-C115 WeakPolarHBondContact CB-O 3.45Å; T106-A116 HydrophobicContact CG2-CB 3.97Å
107F95.3Very high85.5Confident12 Ų1258.8 Ų58.85%0.05337%0.368CS..EExtended strand (participates in β ladder)trans-150.3164.1172.362.9-87.4000109.9T109 C115 F170 R174 V177F107-T109 HydrophobicContact CD2-CG2 4.41Å; F107-T109 HydrophobicContact CE2-CG2 4Å; F107-C115 HydrophobicContact CD1-CB 4.13Å; F107-C115 HydrophobicContact CD2-CB 4.06Å; F107-C115 HydrophobicContact CE1-CB 3.64Å; F107-C115 HydrophobicContact CE2-CB 3.57Å; F107-C115 HydrophobicContact CG-CB 4.32Å; F107-C115 HydrophobicContact CZ-CB 3.32Å; F107-C115 PolarHBondContact N-O 2.83Å; F107-C115 PolarHBondContact O-N 3.24Å; F107-F170 HydrophobicContact CD1-CB 4.17Å; F107-F170 HydrophobicContact CE1-CB 4.05Å; F107-F170 HydrophobicContact CE1-CD1 4.41Å; F107-F170 HydrophobicContact CE1-CG 4.4Å; F107-R174 HydrophobicContact CD2-CB 3.77Å; F107-R174 HydrophobicContact CE2-CB 3.95Å; F107-V177 HydrophobicContact CE2-CB 4.44Å; F107-V177 HydrophobicContact CE2-CG2 4.13Å; F107-V177 HydrophobicContact CZ-CB 4.03Å; F107-V177 HydrophobicContact CZ-CG1 3.93Å; F107-V177 HydrophobicContact CZ-CG2 3.79Å
108V94.3Very high87.8Confident73 Ų7356.3 Ų56.344%0.44234%0.338SS..EExtended strand (participates in β ladder)trans-120.4129.4176-176.10000107.5T113 R174V108-T113 WeakPolarHBondContact CA-O 3.08Å; V108-R174 WeakPolarHBondContact O-CD 3.34Å
109T92.8Very high90.1Very high14 Ų1452.6 Ų52.69%0.08632%0.315CS..  trans-74.5170.1176.250.20000111.3F107 D111 G112 T113 R174F107-T109 HydrophobicContact CD2-CG2 4.41Å; F107-T109 HydrophobicContact CE2-CG2 4Å; T109-D111 VanDerWaalsContact C-N 3.25Å; T109-D111 VanDerWaalsContact CB-OD1 3.23Å; T109-D111 WeakPolarHBondContact CB-OD1 3.45Å; T109-D111 PolarHBondContact O-N 3.35Å; T109-D111 PolarHBondContact OG1-OD1 3.26Å; T109-G112 PolarHBondContact O-N 3.45Å; T109-T113 PolarHBondContact N-O 2.86Å; T109-T113 WeakPolarHBondContact OG1-CA 3.28Å; T109-T113 WeakPolarHBondContact OG1-CB 3.4Å; T109-T113 PolarHBondContact OG1-N 3.01Å; T109-T113 VanDerWaalsContact OG1-N 3.14Å; T109-T113 PolarHBondContact OG1-O 3.27Å; T109-R174 HydrophobicContact CG2-CB 4.29Å; T109-R174 WeakPolarHBondContact CG2-O 3.26Å
110S89.4Confident91.8Very high85 Ų8550 Ų5059%0.59429%0.294SS*.THydrogen-bonded Turntrans-62.7-30.4179.356.10000113.6G112 D175S110-G112 PolarHBondContact O-N 3.3Å; S110-D175 WeakPolarHBondContact CB-OD1 3.39Å; S110-D175 PolarHBondContact N-OD1 2.83Å; S110-D175 VanDerWaalsContact OG-CG 3.26Å; S110-D175 PolarHBondContact OG-OD1 2.89Å
111D88Confident92.5Very high82 Ų8248.2 Ų48.244%0.43929%0.286SS..THydrogen-bonded Turntrans-81.99176.975-35.3000113.7T109 T113 R134T109-D111 VanDerWaalsContact C-N 3.25Å; T109-D111 VanDerWaalsContact CB-OD1 3.23Å; T109-D111 WeakPolarHBondContact CB-OD1 3.45Å; T109-D111 PolarHBondContact O-N 3.35Å; T109-D111 PolarHBondContact OG1-OD1 3.26Å; D111-T113 VanDerWaalsContact C-N 3.28Å; D111-T113 VanDerWaalsContact CG-OG1 3.29Å; D111-T113 PolarHBondContact O-N 3.25Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 PolarHBondContact OD1-N 2.79Å; D111-T113 PolarHBondContact OD1-OG1 2.83Å; D111-T113 PolarHBondContact OD2-OG1 2.78Å; D111-R134 IonicContact OD2-CZ 3.76Å; D111-R134 IonicContact OD2-NE 3.66Å; D111-R134 IonicContact OD2-NH2 3.76Å; D111-R134 PolarHBondContact OD2-NH2 2.89Å
112G88.4Confident92.3Very high28 Ų2844.4 Ų44.429%0.28927%0.274SS..SBendtrans78.16.2178.500000114.9T109 S110T109-G112 PolarHBondContact O-N 3.45Å; S110-G112 PolarHBondContact O-N 3.3Å
113T91.5Very high91.7Very high16 Ų1646 Ų4610%0.09830%0.301CS..  trans-70.6128.9174.9-59.90000110.2V108 T109 D111 C132V108-T113 WeakPolarHBondContact CA-O 3.08Å; T109-T113 PolarHBondContact N-O 2.86Å; T109-T113 WeakPolarHBondContact OG1-CA 3.28Å; T109-T113 WeakPolarHBondContact OG1-CB 3.4Å; T109-T113 PolarHBondContact OG1-N 3.01Å; T109-T113 VanDerWaalsContact OG1-N 3.14Å; T109-T113 PolarHBondContact OG1-O 3.27Å; D111-T113 VanDerWaalsContact C-N 3.28Å; D111-T113 VanDerWaalsContact CG-OG1 3.29Å; D111-T113 PolarHBondContact O-N 3.25Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 PolarHBondContact OD1-N 2.79Å; D111-T113 PolarHBondContact OD1-OG1 2.83Å; D111-T113 PolarHBondContact OD2-OG1 2.78Å; T113-C132 HydrophobicContact CG2-CB 3.9Å
114R94.2Very high90.9Very high147 Ų14752.9 Ų52.956%0.55533%0.331SS*.EExtended strand (participates in β ladder)trans-92.4122.9-179.7-175.4178.5-67.2108.8-1.4109.2C132 E133R114-C132 CarbonylContact O-C 3.52Å; R114-C132 WeakPolarHBondContact O-CA 3.36Å; R114-E133 PolarHBondContact N-O 3.13Å; R114-E133 PolarHBondContact O-N 2.83Å
115C95.1Very high90.5Very high1 Ų152.7 Ų52.71%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-113.7138.9177.7-58.60000111.3T106 F107 V130 N131 C132T106-C115 CarbonylContact C-O 3.5Å; T106-C115 WeakPolarHBondContact CA-O 3.27Å; T106-C115 WeakPolarHBondContact CB-O 3.45Å; F107-C115 HydrophobicContact CD1-CB 4.13Å; F107-C115 HydrophobicContact CD2-CB 4.06Å; F107-C115 HydrophobicContact CE1-CB 3.64Å; F107-C115 HydrophobicContact CE2-CB 3.57Å; F107-C115 HydrophobicContact CG-CB 4.32Å; F107-C115 HydrophobicContact CZ-CB 3.32Å; F107-C115 PolarHBondContact N-O 2.83Å; F107-C115 PolarHBondContact O-N 3.24Å; C115-V130 HydrophobicContact CB-CG1 4.47Å; C115-N131 CarbonylContact C-O 3.56Å; C115-N131 VanDerWaalsContact CA-O 3.26Å; C115-N131 WeakPolarHBondContact CA-O 3.32Å; C115-C132 HydrophobicContact CB-CB 4.11Å; C115-C132 WeakPolarHBondContact CB-SG 3.05Å; C115-C132 WeakPolarHBondContact SG-CB 3.3Å; C115-C132 CovalentContact SG-SG 2.04Å; C115-C132 PolarHBondContact SG-SG 2.92Å
116A96.1Very high90.4Very high47 Ų4751.6 Ų51.639%0.38831%0.313SS..EExtended strand (participates in β ladder)trans-118143.4169.200000109G105 T106 V130 N131G105-A116 WeakPolarHBondContact O-CA 3.49Å; T106-A116 HydrophobicContact CG2-CB 3.97Å; A116-V130 CarbonylContact O-C 3.49Å; A116-V130 WeakPolarHBondContact O-CA 3.41Å; A116-N131 PolarHBondContact N-O 2.78Å; A116-N131 PolarHBondContact O-N 3.16Å
117W96.4Very high90.3Very high9 Ų949 Ų493%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-135.9148.2175.268.2-85.7000111.3G104 G105 A119 V128 W129 V130 W163 V166 A167 F170G104-W117 CarbonylContact C-O 3.5Å; G104-W117 WeakPolarHBondContact CA-O 3.5Å; G105-W117 PolarHBondContact N-O 2.92Å; G105-W117 PolarHBondContact O-N 2.89Å; W117-A119 HydrophobicContact CZ3-CB 4.22Å; W117-V128 HydrophobicContact CB-CG1 4.35Å; W117-V128 HydrophobicContact CD2-CG1 4.37Å; W117-V128 HydrophobicContact CE3-CG1 3.56Å; W117-V128 HydrophobicContact CZ3-CG1 4.28Å; W117-W129 CarbonylContact C-O 3.4Å; W117-W129 WeakPolarHBondContact CA-O 3.15Å; W117-W129 WeakPolarHBondContact CB-O 3.38Å; W117-V130 HydrophobicContact CB-CB 4.4Å; W117-V130 HydrophobicContact CB-CG1 4.44Å; W117-V130 HydrophobicContact CB-CG2 3.87Å; W117-W163 AromaticContact CH2-CE3 3.96Å; W117-W163 HydrophobicContact CH2-CE3 3.96Å; W117-W163 AromaticContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CZ3 4.1Å; W117-V166 HydrophobicContact CH2-CB 4.46Å; W117-V166 HydrophobicContact CH2-CG1 3.88Å; W117-V166 HydrophobicContact CZ2-CG1 4.37Å; W117-V166 HydrophobicContact CZ3-CG1 4.12Å; W117-A167 HydrophobicContact CZ2-CB 3.71Å; W117-F170 AromaticContact CD2-CD2 3.9Å; W117-F170 HydrophobicContact CD2-CD2 3.9Å; W117-F170 AromaticContact CD2-CE2 3.81Å; W117-F170 HydrophobicContact CD2-CE2 3.81Å; W117-F170 AromaticContact CE2-CD2 3.79Å; W117-F170 HydrophobicContact CE3-CD2 4.46Å; W117-F170 AromaticContact CE3-CE2 4Å; W117-F170 HydrophobicContact CE3-CE2 4Å; W117-F170 HydrophobicContact CG-CD2 4.13Å; W117-F170 HydrophobicContact CG-CE2 4.13Å; W117-F170 HydrophobicContact CZ2-CD2 4.28Å; W117-F170 HydrophobicContact CZ3-CE2 4.45Å; W117-F170 AromaticContact NE1-CD2 3.91Å
118S95.6Very high90.4Very high31 Ų3148.5 Ų48.522%0.21729%0.29CS..EExtended strand (participates in β ladder)trans-139.8135.5178.455.30000109.8Q101 G103 V128 W129Q101-S118 VanDerWaalsContact OE1-CB 3.31Å; G103-S118 WeakPolarHBondContact O-CA 3.36Å; S118-V128 CarbonylContact O-C 3.55Å; S118-V128 VanDerWaalsContact O-CA 3.28Å; S118-V128 WeakPolarHBondContact O-CA 3.29Å; S118-W129 PolarHBondContact N-O 3.49Å; S118-W129 PolarHBondContact O-N 3.33Å
119A95Very high90.4Very high1 Ų149.7 Ų49.71%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-100.1133.3174.700000109.5Q101 I102 G103 W117 V126 K127 V128 W163Q101-A119 CarbonylContact C-O 3.53Å; Q101-A119 WeakPolarHBondContact CA-O 3.22Å; I102-A119 HydrophobicContact CG1-CB 3.89Å; I102-A119 PolarHBondContact N-O 3.11Å; G103-A119 PolarHBondContact O-N 2.87Å; W117-A119 HydrophobicContact CZ3-CB 4.22Å; A119-V126 HydrophobicContact CB-CG1 4.26Å; A119-K127 WeakPolarHBondContact CA-O 3.24Å; A119-V128 HydrophobicContact CB-CG2 3.77Å; A119-W163 HydrophobicContact CB-CD2 4.4Å; A119-W163 HydrophobicContact CB-CE3 4.02Å; A119-W163 HydrophobicContact CB-CH2 3.4Å; A119-W163 HydrophobicContact CB-CZ2 3.8Å; A119-W163 HydrophobicContact CB-CZ3 3.5Å; A119-W163 VanDerWaalsContact CB-CZ3 3.5Å
120G91.8Very high90.6Very high1 Ų149.1 Ų49.11%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-135.4153.7171.800000111.2V126 K127G120-V126 WeakPolarHBondContact O-CG1 3.28Å; G120-K127 PolarHBondContact N-O 3.02Å; G120-K127 PolarHBondContact O-N 3.31Å; G120-K127 VanDerWaalsContact O-O 3.12Å
121E85.9Confident90.9Very high120 Ų12048.9 Ų48.956%0.56128%0.275SS*.EExtended strand (participates in β ladder)trans-68.3141.4178.4-64.9179.7172.300110.8I102I102-E121 HydrophobicContact CD1-CG 3.96Å; I102-E121 HydrophobicContact CG2-CG 3.98Å
122A78.9Confident91.1Very high38 Ų3845.5 Ų45.531%0.31426%0.258SS..EExtended strand (participates in β ladder)trans-140.757.4178.200000109.7A125 K127A122-A125 CarbonylContact C-O 3.11Å; A122-A125 VanDerWaalsContact CA-O 3.25Å; A122-A125 WeakPolarHBondContact CA-O 3.27Å; A122-A125 WeakPolarHBondContact CB-O 3.44Å; A122-A125 PolarHBondContact N-O 3.32Å; A122-A125 PolarHBondContact O-N 2.92Å; A122-A125 VanDerWaalsContact O-O 3.1Å; A122-K127 HydrophobicContact CB-CB 4.23Å; A122-K127 HydrophobicContact CB-CD 3.66Å; A122-K127 HydrophobicContact CB-CG 3.63Å
123G78.2Confident91.3Very high76 Ų7647.6 Ų47.678%0.78426%0.26SS*.THydrogen-bonded Turntrans71.7-127.9-173.100000111.5A125G123-A125 PolarHBondContact O-N 2.95Å
124E75.8Confident91.1Very high155 Ų15552.3 Ų52.372%0.72428%0.276SS*.THydrogen-bonded Turntrans-71.1-19.7177.4-61.9-178.917000113.6
125A87.4Confident90.2Very high30 Ų3052.5 Ų52.525%0.24828%0.283CS..EExtended strand (participates in β ladder)trans-104158.5175.800000110.6A122 G123 G147 R148A122-A125 CarbonylContact C-O 3.11Å; A122-A125 VanDerWaalsContact CA-O 3.25Å; A122-A125 WeakPolarHBondContact CA-O 3.27Å; A122-A125 WeakPolarHBondContact CB-O 3.44Å; A122-A125 PolarHBondContact N-O 3.32Å; A122-A125 PolarHBondContact O-N 2.92Å; A122-A125 VanDerWaalsContact O-O 3.1Å; G123-A125 PolarHBondContact O-N 2.95Å; A125-G147 CarbonylContact C-O 3.57Å; A125-G147 WeakPolarHBondContact CA-O 3.13Å; A125-R148 HydrophobicContact CB-CG 4.22Å
126V92.6Very high89.1Confident7 Ų755.9 Ų55.94%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-108.6137.5171.3-179.40000108.4I102 A119 G120 V128 R146 G147 P149 W163I102-V126 HydrophobicContact CD1-CG1 3.81Å; I102-V126 HydrophobicContact CD1-CG2 4.06Å; A119-V126 HydrophobicContact CB-CG1 4.26Å; G120-V126 WeakPolarHBondContact O-CG1 3.28Å; V126-V128 HydrophobicContact CG1-CG2 4.41Å; V126-R146 WeakPolarHBondContact O-CA 3.35Å; V126-G147 PolarHBondContact N-O 3.44Å; V126-G147 PolarHBondContact O-N 3.21Å; V126-P149 HydrophobicContact CB-CG 4.16Å; V126-P149 HydrophobicContact CG2-CG 3.82Å; V126-W163 HydrophobicContact CG1-CH2 3.65Å; V126-W163 HydrophobicContact CG1-CZ2 3.87Å
127K94.6Very high87.9Confident57 Ų5754.8 Ų54.825%0.24831%0.312CS..EExtended strand (participates in β ladder)trans-105.5136172.2-74.3176.2179.8-175.60109.4A119 G120 A122 W129 E144 Y145 R146A119-K127 WeakPolarHBondContact CA-O 3.24Å; G120-K127 PolarHBondContact N-O 3.02Å; G120-K127 PolarHBondContact O-N 3.31Å; G120-K127 VanDerWaalsContact O-O 3.12Å; A122-K127 HydrophobicContact CB-CB 4.23Å; A122-K127 HydrophobicContact CB-CD 3.66Å; A122-K127 HydrophobicContact CB-CG 3.63Å; K127-W129 HydrophobicContact CB-CH2 3.61Å; K127-W129 HydrophobicContact CB-CZ2 3.57Å; K127-W129 HydrophobicContact CB-CZ3 4.14Å; K127-W129 HydrophobicContact CD-CH2 4.36Å; K127-W129 HydrophobicContact CD-CZ2 3.8Å; K127-W129 HydrophobicContact CG-CZ2 4.35Å; K127-E144 HydrophobicContact CB-CG 4.32Å; K127-E144 HydrophobicContact CG-CG 4.36Å; K127-Y145 CarbonylContact C-O 3.45Å; K127-Y145 WeakPolarHBondContact CA-O 3.47Å; K127-R146 HydrophobicContact CG-CG 4.3Å
128V95.9Very high86.7Confident0 Ų057.5 Ų57.50%033%0.329CS..EExtended strand (participates in β ladder)trans-121.9110.3176.1-179.20000108.7W117 S118 A119 V126 E144 Y145 W163 F170 L199W117-V128 HydrophobicContact CB-CG1 4.35Å; W117-V128 HydrophobicContact CD2-CG1 4.37Å; W117-V128 HydrophobicContact CE3-CG1 3.56Å; W117-V128 HydrophobicContact CZ3-CG1 4.28Å; S118-V128 CarbonylContact O-C 3.55Å; S118-V128 VanDerWaalsContact O-CA 3.28Å; S118-V128 WeakPolarHBondContact O-CA 3.29Å; A119-V128 HydrophobicContact CB-CG2 3.77Å; V126-V128 HydrophobicContact CG1-CG2 4.41Å; V128-E144 CarbonylContact O-C 3.57Å; V128-E144 WeakPolarHBondContact O-CA 3.4Å; V128-Y145 PolarHBondContact N-O 3.3Å; V128-Y145 PolarHBondContact O-N 3.11Å; V128-W163 HydrophobicContact CG2-CH2 4.07Å; V128-W163 HydrophobicContact CG2-CZ3 3.97Å; V128-F170 HydrophobicContact CG1-CE2 4.11Å; V128-F170 HydrophobicContact CG1-CZ 3.99Å; V128-L199 HydrophobicContact CG2-CD1 3.82Å; V128-L199 HydrophobicContact CG2-CD2 3.92Å
129W95.6Very high86Confident98 Ų9858.7 Ų58.737%0.37133%0.333SS..EExtended strand (participates in β ladder)trans-85.5135.6175.4-60.2-82.9000109.3W117 S118 K127 E144W117-W129 CarbonylContact C-O 3.4Å; W117-W129 WeakPolarHBondContact CA-O 3.15Å; W117-W129 WeakPolarHBondContact CB-O 3.38Å; S118-W129 PolarHBondContact N-O 3.49Å; S118-W129 PolarHBondContact O-N 3.33Å; K127-W129 HydrophobicContact CB-CH2 3.61Å; K127-W129 HydrophobicContact CB-CZ2 3.57Å; K127-W129 HydrophobicContact CB-CZ3 4.14Å; K127-W129 HydrophobicContact CD-CH2 4.36Å; K127-W129 HydrophobicContact CD-CZ2 3.8Å; K127-W129 HydrophobicContact CG-CZ2 4.35Å; W129-E144 PolarHBondContact NE1-OE2 3.01Å
130V96.1Very high85.8Confident3 Ų363.2 Ų63.22%0.01835%0.353CS..EExtended strand (participates in β ladder)trans-121.2131.9174.2-173.90000107.7C115 A116 W117 G142 C143 Y145 F170 V177C115-V130 HydrophobicContact CB-CG1 4.47Å; A116-V130 CarbonylContact O-C 3.49Å; A116-V130 WeakPolarHBondContact O-CA 3.41Å; W117-V130 HydrophobicContact CB-CB 4.4Å; W117-V130 HydrophobicContact CB-CG1 4.44Å; W117-V130 HydrophobicContact CB-CG2 3.87Å; V130-G142 CarbonylContact O-C 3.45Å; V130-G142 WeakPolarHBondContact O-CA 3.42Å; V130-C143 PolarHBondContact N-O 2.9Å; V130-C143 PolarHBondContact O-N 2.89Å; V130-Y145 HydrophobicContact CG2-CD2 3.86Å; V130-Y145 HydrophobicContact CG2-CE2 3.89Å; V130-F170 HydrophobicContact CG2-CE1 4.07Å; V130-F170 HydrophobicContact CG2-CZ 4.2Å; V130-V177 HydrophobicContact CG1-CG1 3.86Å; V130-V177 HydrophobicContact CG2-CG1 4.39Å
131N95.3Very high85.8Confident79 Ų7964.8 Ų64.842%0.42236%0.362SS..EExtended strand (participates in β ladder)trans-126.5123.5173.1-176.142.9000109.3C115 A116 T141C115-N131 CarbonylContact C-O 3.56Å; C115-N131 VanDerWaalsContact CA-O 3.26Å; C115-N131 WeakPolarHBondContact CA-O 3.32Å; A116-N131 PolarHBondContact N-O 2.78Å; A116-N131 PolarHBondContact O-N 3.16Å; N131-T141 CarbonylContact C-O 3.51Å
132C93.7Very high86.2Confident11 Ų1160 Ų607%0.07434%0.344CS..EExtended strand (participates in β ladder)trans-116.7131.7-178.5-680000110T113 R114 C115 K140 T141T113-C132 HydrophobicContact CG2-CB 3.9Å; R114-C132 CarbonylContact O-C 3.52Å; R114-C132 WeakPolarHBondContact O-CA 3.36Å; C115-C132 HydrophobicContact CB-CB 4.11Å; C115-C132 WeakPolarHBondContact CB-SG 3.05Å; C115-C132 WeakPolarHBondContact SG-CB 3.3Å; C115-C132 CovalentContact SG-SG 2.04Å; C115-C132 PolarHBondContact SG-SG 2.92Å; C132-K140 CarbonylContact O-C 3.5Å; C132-K140 WeakPolarHBondContact O-CA 3.44Å; C132-T141 PolarHBondContact N-O 3.46Å; C132-T141 PolarHBondContact O-N 2.85Å
133E91.6Very high87Confident72 Ų7258.4 Ų58.434%0.33633%0.331SS..EExtended strand (participates in β ladder)trans-133.7123.7-177.9-176.6169.7-157.300109.9R114 G137 K140R114-E133 PolarHBondContact N-O 3.13Å; R114-E133 PolarHBondContact O-N 2.83Å; E133-G137 WeakPolarHBondContact OE1-CA 3.4Å; E133-K140 HydrophobicContact CG-CG 4.2Å; E133-K140 WeakPolarHBondContact OE1-CE 3.4Å; E133-K140 IonicContact OE1-NZ 2.78Å
134R87.4Confident87.8Confident116 Ų11655.9 Ų55.944%0.43830%0.299SS..  trans-75150.2173.2-174.3171.9-76.6169.6-5.1109.4D111 G136 G137 N139D111-R134 IonicContact OD2-CZ 3.76Å; D111-R134 IonicContact OD2-NE 3.66Å; D111-R134 IonicContact OD2-NH2 3.76Å; D111-R134 PolarHBondContact OD2-NH2 2.89Å; R134-G136 PolarHBondContact O-N 2.9Å; R134-G137 PolarHBondContact O-N 3.35Å; R134-N139 HydrophobicContact CB-CB 4.31Å; R134-N139 PolarHBondContact N-O 3.21Å; R134-N139 VanDerWaalsContact N-O 3.16Å
135Q75.8Confident88.8Confident150 Ų15048.5 Ų48.570%0.70126%0.264SS*.THydrogen-bonded Turntrans-51.1132.6173.9-63.3-166.69.700110.5
136G71.3Confident89.1Confident73 Ų7352.3 Ų52.375%0.75327%0.272SS*.THydrogen-bonded Turntrans93.9-4.8-17200000115R134 V138R134-G136 PolarHBondContact O-N 2.9Å; G136-V138 WeakPolarHBondContact O-CG2 3.38Å; G136-V138 PolarHBondContact O-N 3.37Å
137G70.3Confident89.1Confident24 Ų2452.3 Ų52.325%0.24727%0.274CS..SBendtrans68.70.6170.100000116.4E133 R134E133-G137 WeakPolarHBondContact OE1-CA 3.4Å; R134-G137 PolarHBondContact O-N 3.35Å
138V72.7Confident89.1Confident66 Ų6655.1 Ų55.140%0.428%0.283SS..  trans-71.3-33.2-175.1-174.80000112.2G136 T210 A211G136-V138 WeakPolarHBondContact O-CG2 3.38Å; G136-V138 PolarHBondContact O-N 3.37Å; V138-T210 HydrophobicContact CG1-CG2 4.44Å; V138-T210 CarbonylContact O-C 3.56Å; V138-T210 VanDerWaalsContact O-CA 3.29Å; V138-T210 WeakPolarHBondContact O-CA 3.33Å; V138-A211 HydrophobicContact CG1-CB 4.26Å; V138-A211 VanDerWaalsContact CG1-O 3.26Å; V138-A211 WeakPolarHBondContact CG1-O 3.4Å; V138-A211 PolarHBondContact O-N 2.87Å
139N81Confident89Confident56 Ų5655.1 Ų55.130%0.29928%0.283SS..EExtended strand (participates in β ladder)trans-118.6104.5-177.9-71.8-71.7000110.3R134 T210R134-N139 HydrophobicContact CB-CB 4.31Å; R134-N139 PolarHBondContact N-O 3.21Å; R134-N139 VanDerWaalsContact N-O 3.16Å; N139-T210 VanDerWaalsContact OD1-CG2 3.23Å; N139-T210 WeakPolarHBondContact OD1-CG2 3.34Å; N139-T210 PolarHBondContact OD1-OG1 3.5Å
140K89.5Confident88.7Confident96 Ų9655.5 Ų55.542%0.41729%0.289SS..EExtended strand (participates in β ladder)trans-106.6129.4175.4-65.2-179.9-178.1178.70109.5C132 E133 S209C132-K140 CarbonylContact O-C 3.5Å; C132-K140 WeakPolarHBondContact O-CA 3.44Å; E133-K140 HydrophobicContact CG-CG 4.2Å; E133-K140 WeakPolarHBondContact OE1-CE 3.4Å; E133-K140 IonicContact OE1-NZ 2.78Å; K140-S209 PolarHBondContact N-O 3.22Å; K140-S209 PolarHBondContact O-N 2.9Å
141T92.4Very high88.5Confident34 Ų3457.8 Ų57.821%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-126.9122.3176.2-58.10000109.3N131 C132 C178 K207 R208N131-T141 CarbonylContact C-O 3.51Å; C132-T141 PolarHBondContact N-O 3.46Å; C132-T141 PolarHBondContact O-N 2.85Å; T141-C178 HydrophobicContact CG2-CB 4.23Å; T141-K207 CarbonylContact C-O 3.55Å; T141-K207 VanDerWaalsContact CA-O 3.3Å; T141-K207 WeakPolarHBondContact CA-O 3.22Å; T141-R208 HydrophobicContact CG2-CG 3.93Å; T141-R208 WeakPolarHBondContact OG1-CG 3.16Å
142G94.1Very high88.3Confident18 Ų1854.2 Ų54.219%0.18629%0.287CS..EExtended strand (participates in β ladder)trans-111.6148.1175.200000111.8V130 V206 K207V130-G142 CarbonylContact O-C 3.45Å; V130-G142 WeakPolarHBondContact O-CA 3.42Å; G142-V206 CarbonylContact O-C 3.59Å; G142-V206 WeakPolarHBondContact O-CA 3.35Å; G142-K207 PolarHBondContact N-O 3.44Å; G142-K207 PolarHBondContact O-N 2.93Å
143C95.6Very high88.2Confident6 Ų658.3 Ų58.34%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-153.9164.9167.672.20000112.5V130 Y145 C178 L201 V206V130-C143 PolarHBondContact N-O 2.9Å; V130-C143 PolarHBondContact O-N 2.89Å; C143-Y145 VanDerWaalsContact SG-CE2 3.56Å; C143-C178 HydrophobicContact CB-CB 3.66Å; C143-C178 WeakPolarHBondContact CB-SG 3.22Å; C143-C178 WeakPolarHBondContact SG-CA 3.18Å; C143-C178 WeakPolarHBondContact SG-CB 3.47Å; C143-C178 CovalentContact SG-SG 2.03Å; C143-C178 PolarHBondContact SG-SG 2.99Å; C143-L201 HydrophobicContact CB-CD1 3.63Å; C143-L201 VanDerWaalsContact SG-CD1 3.55Å; C143-V206 HydrophobicContact CB-CG2 3.96Å
144E95.8Very high88.2Confident22 Ų2255.7 Ų55.710%0.10331%0.307CS..EExtended strand (participates in β ladder)trans-118.9133.2179.6-170.1177.5100.700110.6K127 V128 W129 R146 D202 S205K127-E144 HydrophobicContact CB-CG 4.32Å; K127-E144 HydrophobicContact CG-CG 4.36Å; V128-E144 CarbonylContact O-C 3.57Å; V128-E144 WeakPolarHBondContact O-CA 3.4Å; W129-E144 PolarHBondContact NE1-OE2 3.01Å; E144-R146 IonicContact OE1-CZ 3.69Å; E144-R146 IonicContact OE1-NE 3.59Å; E144-R146 PolarHBondContact OE1-NE 3.02Å; E144-R146 IonicContact OE1-NH2 2.72Å; E144-R146 PolarHBondContact OE1-NH2 3.03Å; E144-D202 PolarHBondContact O-N 3.32Å; E144-S205 WeakPolarHBondContact CB-OG 3Å; E144-S205 PolarHBondContact N-OG 3.34Å; E144-S205 PolarHBondContact O-OG 3.35Å
145Y95.5Very high88.4Confident0 Ų050.8 Ų50.80%029%0.289CS..EExtended strand (participates in β ladder)trans-106.5142.7168.3-71.4-107.7000110.1K127 V128 V130 C143 F170 V177 C178 V185 R200 L201K127-Y145 CarbonylContact C-O 3.45Å; K127-Y145 WeakPolarHBondContact CA-O 3.47Å; V128-Y145 PolarHBondContact N-O 3.3Å; V128-Y145 PolarHBondContact O-N 3.11Å; V130-Y145 HydrophobicContact CG2-CD2 3.86Å; V130-Y145 HydrophobicContact CG2-CE2 3.89Å; C143-Y145 VanDerWaalsContact SG-CE2 3.56Å; Y145-F170 HydrophobicContact CD2-CE1 4.18Å; Y145-F170 HydrophobicContact CD2-CZ 4.27Å; Y145-F170 AromaticContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CZ 4.47Å; Y145-F170 HydrophobicContact CG-CZ 4.46Å; Y145-V177 HydrophobicContact CE2-CG1 4.17Å; Y145-C178 PolarHBondContact OH-N 3.24Å; Y145-V185 HydrophobicContact CD1-CG2 3.97Å; Y145-V185 HydrophobicContact CE1-CG2 3.72Å; Y145-R200 CarbonylContact C-O 3.6Å; Y145-R200 WeakPolarHBondContact CA-O 3.39Å; Y145-R200 VanDerWaalsContact CD1-C 3.44Å; Y145-L201 HydrophobicContact CD1-CB 4.14Å; Y145-L201 VanDerWaalsContact CD1-N 3.33Å; Y145-L201 HydrophobicContact CD2-CD1 4.25Å; Y145-L201 HydrophobicContact CE1-CB 3.74Å; Y145-L201 HydrophobicContact CE2-CD1 3.89Å
146R94.5Very high89.1Confident110 Ų11047.7 Ų47.742%0.41528%0.277SS..EExtended strand (participates in β ladder)trans-124.9143.7178.9-63.8-173.4176.3-164.35.7111.6V126 K127 E144 L199 R200 D202V126-R146 WeakPolarHBondContact O-CA 3.35Å; K127-R146 HydrophobicContact CG-CG 4.3Å; E144-R146 IonicContact OE1-CZ 3.69Å; E144-R146 IonicContact OE1-NE 3.59Å; E144-R146 PolarHBondContact OE1-NE 3.02Å; E144-R146 IonicContact OE1-NH2 2.72Å; E144-R146 PolarHBondContact OE1-NH2 3.03Å; R146-L199 WeakPolarHBondContact O-CA 3.32Å; R146-R200 PolarHBondContact N-O 2.94Å; R146-R200 PolarHBondContact O-N 3.45Å; R146-D202 IonicContact CZ-OD2 3.46Å; R146-D202 IonicContact NE-OD2 3.17Å; R146-D202 IonicContact NH2-OD2 3.7Å
147G93.6Very high90.2Very high8 Ų849.1 Ų49.18%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-169.3174.7171.900000111.9A125 V126 P149 D196A125-G147 CarbonylContact C-O 3.57Å; A125-G147 WeakPolarHBondContact CA-O 3.13Å; V126-G147 PolarHBondContact N-O 3.44Å; V126-G147 PolarHBondContact O-N 3.21Å; G147-P149 WeakPolarHBondContact O-CD 3.37Å; G147-D196 CarbonylContact C-O 3.55Å; G147-D196 WeakPolarHBondContact CA-O 3.47Å
148R94.1Very high91.3Very high115 Ų11551.4 Ų51.443%0.43428%0.282SS..  trans-12174.8-179.4-67.9179.2174.7166.1-9.6111.1A125 Q150 S151 D196 A197A125-R148 HydrophobicContact CB-CG 4.22Å; R148-Q150 PolarHBondContact O-N 2.79Å; R148-Q150 VanDerWaalsContact O-N 3.09Å; R148-S151 WeakPolarHBondContact O-CB 3.48Å; R148-S151 PolarHBondContact O-N 3.18Å; R148-S151 PolarHBondContact O-OG 3.5Å; R148-D196 PolarHBondContact N-O 2.95Å; R148-D196 IonicContact NH1-OD2 2.77Å; R148-D196 PolarHBondContact NH1-OD2 3.3Å; R148-A197 WeakPolarHBondContact O-CA 3.36Å
149P92.3Very high92.3Very high0 Ų050.9 Ų50.90%028%0.28CS..G310 helixtrans-55.8-30.1-177.6-25.135.5000113.7V126 G147 S151 C152 Y155 F162V126-P149 HydrophobicContact CB-CG 4.16Å; V126-P149 HydrophobicContact CG2-CG 3.82Å; G147-P149 WeakPolarHBondContact O-CD 3.37Å; P149-S151 PolarHBondContact O-N 2.93Å; P149-C152 WeakPolarHBondContact O-CB 3.5Å; P149-C152 PolarHBondContact O-N 3.07Å; P149-Y155 HydrophobicContact CB-CD1 3.82Å; P149-Y155 HydrophobicContact CB-CD2 3.44Å; P149-Y155 VanDerWaalsContact CB-CD2 3.44Å; P149-Y155 HydrophobicContact CB-CE1 4.07Å; P149-Y155 HydrophobicContact CB-CE2 3.69Å; P149-Y155 HydrophobicContact CB-CG 3.5Å; P149-Y155 HydrophobicContact CG-CE2 4.45Å; P149-Y155 WeakPolarHBondContact O-CB 3.45Å; P149-F162 HydrophobicContact CB-CE1 3.97Å; P149-F162 HydrophobicContact CB-CE2 4.2Å; P149-F162 HydrophobicContact CB-CZ 3.75Å; P149-F162 HydrophobicContact CG-CE1 3.89Å; P149-F162 HydrophobicContact CG-CZ 3.79Å
150Q90.5Very high92.9Very high106 Ų10655.7 Ų55.750%0.49530%0.299SS..G310 helixtrans-57.1-28.1177.5-63.6-71.2-17.900113.9R148 C152 Y155 N156R148-Q150 PolarHBondContact O-N 2.79Å; R148-Q150 VanDerWaalsContact O-N 3.09Å; Q150-C152 PolarHBondContact O-N 3.36Å; Q150-Y155 HydrophobicContact CG-CE1 4.43Å; Q150-N156 PolarHBondContact O-ND2 2.75Å; Q150-N156 PolarHBondContact OE1-OD1 2.03Å
151S90.9Very high93.1Very high51 Ų5152 Ų5236%0.35729%0.286SS..G310 helixtrans-70.5-9.5175.864.90000113.6R148 P149 A197R148-S151 WeakPolarHBondContact O-CB 3.48Å; R148-S151 PolarHBondContact O-N 3.18Å; R148-S151 PolarHBondContact O-OG 3.5Å; P149-S151 PolarHBondContact O-N 2.93Å; S151-A197 WeakPolarHBondContact OG-CA 3.26Å; S151-A197 WeakPolarHBondContact OG-CB 3.22Å
152C91.3Very high93.3Very high5 Ų550.6 Ų50.63%0.03428%0.277CS..SBendtrans-104.2118.3175.5170.20000109.7P149 Q150 G154 Y155 C190 A193 A197P149-C152 WeakPolarHBondContact O-CB 3.5Å; P149-C152 PolarHBondContact O-N 3.07Å; Q150-C152 PolarHBondContact O-N 3.36Å; C152-G154 PolarHBondContact O-N 3.33Å; C152-G154 VanDerWaalsContact O-N 3.17Å; C152-Y155 WeakPolarHBondContact O-CB 3.45Å; C152-Y155 PolarHBondContact O-N 3.09Å; C152-C190 HydrophobicContact CB-CB 3.77Å; C152-C190 WeakPolarHBondContact CB-SG 3.43Å; C152-C190 WeakPolarHBondContact SG-CA 3.26Å; C152-C190 WeakPolarHBondContact SG-CB 3.32Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 3.01Å; C152-A193 HydrophobicContact CB-CB 3.81Å; C152-A197 HydrophobicContact CB-CB 4.23Å
153S91.3Very high93.3Very high96 Ų9650.5 Ų50.567%0.67127%0.271SS*.Hα-helixtrans-55.9-35.6177.757.10000113Y155 N156 S157S153-Y155 VanDerWaalsContact C-N 3.26Å; S153-Y155 PolarHBondContact O-N 2.89Å; S153-N156 PolarHBondContact O-N 2.81Å; S153-N156 VanDerWaalsContact O-N 3.1Å; S153-S157 PolarHBondContact O-N 2.81Å; S153-S157 VanDerWaalsContact O-N 3.09Å; S153-S157 PolarHBondContact O-OG 2.92Å
154G91.7Very high93.3Very high17 Ų1755.5 Ų55.518%0.17529%0.292CS..Hα-helixtrans-61.1-30.6176.800000114.1C152 D158C152-G154 PolarHBondContact O-N 3.33Å; C152-G154 VanDerWaalsContact O-N 3.17Å; G154-D158 PolarHBondContact O-N 3.23Å; G154-D158 VanDerWaalsContact O-N 3.17Å
155Y92.4Very high93.3Very high13 Ų1357 Ų575%0.05130%0.299CS..Hα-helixtrans-67.9-44.9172.8178-99.1000111P149 Q150 C152 S153 S157 D158 P159 F162 W163P149-Y155 HydrophobicContact CB-CD1 3.82Å; P149-Y155 HydrophobicContact CB-CD2 3.44Å; P149-Y155 VanDerWaalsContact CB-CD2 3.44Å; P149-Y155 HydrophobicContact CB-CE1 4.07Å; P149-Y155 HydrophobicContact CB-CE2 3.69Å; P149-Y155 HydrophobicContact CB-CG 3.5Å; P149-Y155 HydrophobicContact CG-CE2 4.45Å; P149-Y155 WeakPolarHBondContact O-CB 3.45Å; Q150-Y155 HydrophobicContact CG-CE1 4.43Å; C152-Y155 WeakPolarHBondContact O-CB 3.45Å; C152-Y155 PolarHBondContact O-N 3.09Å; S153-Y155 VanDerWaalsContact C-N 3.26Å; S153-Y155 PolarHBondContact O-N 2.89Å; Y155-S157 PolarHBondContact O-N 3.27Å; Y155-D158 CarbonylContact O-C 3.57Å; Y155-D158 PolarHBondContact O-N 3.21Å; Y155-P159 HydrophobicContact CD2-CB 4.39Å; Y155-P159 HydrophobicContact CE2-CB 3.93Å; Y155-P159 WeakPolarHBondContact O-CD 3.34Å; Y155-P159 VanDerWaalsContact O-CG 3.24Å; Y155-P159 WeakPolarHBondContact O-CG 3.39Å; Y155-P159 VanDerWaalsContact O-N 3.07Å; Y155-F162 HydrophobicContact CD2-CB 3.66Å; Y155-F162 AromaticContact CD2-CD1 3.55Å; Y155-F162 HydrophobicContact CD2-CD1 3.55Å; Y155-F162 AromaticContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CE1 4.1Å; Y155-F162 HydrophobicContact CD2-CE2 4.43Å; Y155-F162 AromaticContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CD2-CG 3.45Å; Y155-F162 VanDerWaalsContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CE2-CB 4.3Å; Y155-F162 AromaticContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CE1 4.24Å; Y155-F162 HydrophobicContact CE2-CG 4.1Å; Y155-F162 HydrophobicContact CG-CG 4.49Å; Y155-W163 HydrophobicContact CE2-CZ2 4.36Å; Y155-W163 AromaticContact CE2-NE1 3.83Å
156N91.2Very high93.3Very high85 Ų8557 Ų5746%0.45530%0.299SS..Hα-helixtrans-65.1-29.7-178.7-59.5-31.8000112Q150 S153Q150-N156 PolarHBondContact O-ND2 2.75Å; Q150-N156 PolarHBondContact OE1-OD1 2.03Å; S153-N156 PolarHBondContact O-N 2.81Å; S153-N156 VanDerWaalsContact O-N 3.1Å
157S93.3Very high93.4Very high103 Ų10353.4 Ų53.472%0.7229%0.293SS*.Hα-helixtrans-77.3-42.4175.4-53.80000113.7S153 Y155S153-S157 PolarHBondContact O-N 2.81Å; S153-S157 VanDerWaalsContact O-N 3.09Å; S153-S157 PolarHBondContact O-OG 2.92Å; Y155-S157 PolarHBondContact O-N 3.27Å
158D94.6Very high93.5Very high72 Ų7262 Ų6239%0.38532%0.323SS..  trans-147.384.2179.5-171.9-10.8000112.2G154 Y155 K160 A161 F162G154-D158 PolarHBondContact O-N 3.23Å; G154-D158 VanDerWaalsContact O-N 3.17Å; Y155-D158 CarbonylContact O-C 3.57Å; Y155-D158 PolarHBondContact O-N 3.21Å; D158-K160 PolarHBondContact O-N 3.37Å; D158-K160 WeakPolarHBondContact OD1-CB 3.29Å; D158-K160 PolarHBondContact OD1-N 2.94Å; D158-K160 VanDerWaalsContact OD1-N 3.13Å; D158-A161 HydrophobicContact CB-CB 4.03Å; D158-A161 PolarHBondContact O-N 3.46Å; D158-A161 PolarHBondContact OD1-N 3.46Å; D158-A161 WeakPolarHBondContact OD2-CB 3.06Å; D158-F162 PolarHBondContact O-N 3.17Å; D158-F162 VanDerWaalsContact O-N 3.11Å
159P92.6Very high93.6Very high55 Ų5557.3 Ų57.336%0.35731%0.309SS..Hα-helixtrans-59.3-31.9177.6-23.832.1000112.5Y155 F162 W163Y155-P159 HydrophobicContact CD2-CB 4.39Å; Y155-P159 HydrophobicContact CE2-CB 3.93Å; Y155-P159 WeakPolarHBondContact O-CD 3.34Å; Y155-P159 VanDerWaalsContact O-CG 3.24Å; Y155-P159 WeakPolarHBondContact O-CG 3.39Å; Y155-P159 VanDerWaalsContact O-N 3.07Å; P159-F162 WeakPolarHBondContact O-CB 3.4Å; P159-F162 PolarHBondContact O-N 3.24Å; P159-W163 PolarHBondContact O-N 3.11Å; P159-W163 VanDerWaalsContact O-N 3.11Å
160K93.4Very high93.7Very high158 Ų15857.3 Ų57.369%0.68731%0.309SS*.Hα-helixtrans-71-40.3-178.1-172179.6-179.2176.20111.1D158 F162 K164D158-K160 PolarHBondContact O-N 3.37Å; D158-K160 WeakPolarHBondContact OD1-CB 3.29Å; D158-K160 PolarHBondContact OD1-N 2.94Å; D158-K160 VanDerWaalsContact OD1-N 3.13Å; K160-F162 VanDerWaalsContact C-N 3.33Å; K160-K164 VanDerWaalsContact O-CE 3.27Å; K160-K164 WeakPolarHBondContact O-CE 3.34Å; K160-K164 PolarHBondContact O-N 3.38Å
161A95.1Very high93.9Very high19 Ų1959.2 Ų59.216%0.15732%0.316CS..Hα-helixtrans-67.5-34.8172.400000112D158 K164 Q165 M189D158-A161 HydrophobicContact CB-CB 4.03Å; D158-A161 PolarHBondContact O-N 3.46Å; D158-A161 PolarHBondContact OD1-N 3.46Å; D158-A161 WeakPolarHBondContact OD2-CB 3.06Å; A161-K164 WeakPolarHBondContact O-CB 3.05Å; A161-K164 PolarHBondContact O-N 2.97Å; A161-Q165 WeakPolarHBondContact O-CG 3.06Å; A161-Q165 PolarHBondContact O-N 2.86Å; A161-M189 HydrophobicContact CB-CE 3.57Å
162F95.1Very high94.1Very high3 Ų365.9 Ų65.91%0.01334%0.338CS..Hα-helixtrans-57.7-52.8174.6176.4-93.3000111P149 Y155 D158 P159 K160 K164 Q165 V166 A187 M189P149-F162 HydrophobicContact CB-CE1 3.97Å; P149-F162 HydrophobicContact CB-CE2 4.2Å; P149-F162 HydrophobicContact CB-CZ 3.75Å; P149-F162 HydrophobicContact CG-CE1 3.89Å; P149-F162 HydrophobicContact CG-CZ 3.79Å; Y155-F162 HydrophobicContact CD2-CB 3.66Å; Y155-F162 AromaticContact CD2-CD1 3.55Å; Y155-F162 HydrophobicContact CD2-CD1 3.55Å; Y155-F162 AromaticContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CE1 4.1Å; Y155-F162 HydrophobicContact CD2-CE2 4.43Å; Y155-F162 AromaticContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CD2-CG 3.45Å; Y155-F162 VanDerWaalsContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CE2-CB 4.3Å; Y155-F162 AromaticContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CE1 4.24Å; Y155-F162 HydrophobicContact CE2-CG 4.1Å; Y155-F162 HydrophobicContact CG-CG 4.49Å; D158-F162 PolarHBondContact O-N 3.17Å; D158-F162 VanDerWaalsContact O-N 3.11Å; P159-F162 WeakPolarHBondContact O-CB 3.4Å; P159-F162 PolarHBondContact O-N 3.24Å; K160-F162 VanDerWaalsContact C-N 3.33Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.97Å; F162-Q165 WeakPolarHBondContact O-CA 3.26Å; F162-Q165 WeakPolarHBondContact O-CB 3.19Å; F162-Q165 PolarHBondContact O-N 3.29Å; F162-V166 HydrophobicContact CD1-CG2 3.96Å; F162-V166 HydrophobicContact CE1-CG2 3.57Å; F162-V166 HydrophobicContact CE2-CG2 4.48Å; F162-V166 HydrophobicContact CZ-CG2 3.86Å; F162-V166 PolarHBondContact O-N 2.87Å; F162-A187 HydrophobicContact CD2-CB 3.44Å; F162-A187 VanDerWaalsContact CD2-CB 3.44Å; F162-A187 HydrophobicContact CE2-CB 3.43Å; F162-A187 VanDerWaalsContact CE2-CB 3.43Å; F162-A187 HydrophobicContact CG-CB 4.32Å; F162-A187 HydrophobicContact CZ-CB 4.3Å; F162-M189 VanDerWaalsContact CA-CE 3.46Å; F162-M189 VanDerWaalsContact CA-SD 3.56Å; F162-M189 HydrophobicContact CB-CE 4.15Å; F162-M189 HydrophobicContact CB-SD 3.57Å; F162-M189 VanDerWaalsContact CB-SD 3.57Å; F162-M189 HydrophobicContact CD2-CG 4.24Å; F162-M189 HydrophobicContact CD2-SD 3.94Å; F162-M189 HydrophobicContact CG-SD 4.26Å
163W94.8Very high94.2Very high16 Ų1667 Ų676%0.06134%0.343CS..Hα-helixtrans-64.4-33-179.6-68.8119.6000113.1I102 W117 A119 V126 V128 Y155 P159 Q165 V166 A167 L199I102-W163 HydrophobicContact CD1-CZ2 3.54Å; I102-W163 HydrophobicContact CG1-CZ2 3.85Å; I102-W163 PolarHBondContact O-NE1 3.4Å; W117-W163 AromaticContact CH2-CE3 3.96Å; W117-W163 HydrophobicContact CH2-CE3 3.96Å; W117-W163 AromaticContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CZ3 4.1Å; A119-W163 HydrophobicContact CB-CD2 4.4Å; A119-W163 HydrophobicContact CB-CE3 4.02Å; A119-W163 HydrophobicContact CB-CH2 3.4Å; A119-W163 HydrophobicContact CB-CZ2 3.8Å; A119-W163 HydrophobicContact CB-CZ3 3.5Å; A119-W163 VanDerWaalsContact CB-CZ3 3.5Å; V126-W163 HydrophobicContact CG1-CH2 3.65Å; V126-W163 HydrophobicContact CG1-CZ2 3.87Å; V128-W163 HydrophobicContact CG2-CH2 4.07Å; V128-W163 HydrophobicContact CG2-CZ3 3.97Å; Y155-W163 HydrophobicContact CE2-CZ2 4.36Å; Y155-W163 AromaticContact CE2-NE1 3.83Å; P159-W163 PolarHBondContact O-N 3.11Å; P159-W163 VanDerWaalsContact O-N 3.11Å; W163-Q165 VanDerWaalsContact C-N 3.32Å; W163-Q165 PolarHBondContact O-N 2.85Å; W163-V166 HydrophobicContact CE3-CB 4.02Å; W163-V166 HydrophobicContact CE3-CG1 4.02Å; W163-V166 HydrophobicContact CE3-CG2 4.1Å; W163-V166 HydrophobicContact CZ3-CB 4.4Å; W163-V166 HydrophobicContact CZ3-CG1 4.06Å; W163-V166 HydrophobicContact CZ3-CG2 4.24Å; W163-V166 PolarHBondContact O-N 3.05Å; W163-A167 WeakPolarHBondContact O-CB 3.23Å; W163-A167 PolarHBondContact O-N 2.95Å; W163-L199 HydrophobicContact CZ3-CD1 4.12Å
164K95.5Very high94.3Very high112 Ų11267.1 Ų67.149%0.48733%0.329SS..Hα-helixtrans-61.2-38.9169.5-82.6179.7-92.3167.50112.4K160 A161 F162 R168K160-K164 VanDerWaalsContact O-CE 3.27Å; K160-K164 WeakPolarHBondContact O-CE 3.34Å; K160-K164 PolarHBondContact O-N 3.38Å; A161-K164 WeakPolarHBondContact O-CB 3.05Å; A161-K164 PolarHBondContact O-N 2.97Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.97Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 2.97Å
165Q95.9Very high94.3Very high53 Ų5370.3 Ų70.325%0.24834%0.342CS..Hα-helixtrans-72.3-39177.1-68.7-179.4900111.8A161 F162 W163 R168 A169 A187 M189A161-Q165 WeakPolarHBondContact O-CG 3.06Å; A161-Q165 PolarHBondContact O-N 2.86Å; F162-Q165 WeakPolarHBondContact O-CA 3.26Å; F162-Q165 WeakPolarHBondContact O-CB 3.19Å; F162-Q165 PolarHBondContact O-N 3.29Å; W163-Q165 VanDerWaalsContact C-N 3.32Å; W163-Q165 PolarHBondContact O-N 2.85Å; Q165-R168 PolarHBondContact O-N 3.29Å; Q165-A169 PolarHBondContact O-N 3.36Å; Q165-A187 HydrophobicContact CB-CB 4.1Å; Q165-M189 VanDerWaalsContact CD-CE 3.45Å; Q165-M189 HydrophobicContact CG-CE 4.25Å; Q165-M189 VanDerWaalsContact NE2-CE 3.31Å
166V95.6Very high94.3Very high0 Ų075 Ų750%036%0.363CS..Hα-helixtrans-59.2-45.7172.8169.30000111.1W117 F162 W163 R168 A169 F170 V185 A187 L199W117-V166 HydrophobicContact CH2-CB 4.46Å; W117-V166 HydrophobicContact CH2-CG1 3.88Å; W117-V166 HydrophobicContact CZ2-CG1 4.37Å; W117-V166 HydrophobicContact CZ3-CG1 4.12Å; F162-V166 HydrophobicContact CD1-CG2 3.96Å; F162-V166 HydrophobicContact CE1-CG2 3.57Å; F162-V166 HydrophobicContact CE2-CG2 4.48Å; F162-V166 HydrophobicContact CZ-CG2 3.86Å; F162-V166 PolarHBondContact O-N 2.87Å; W163-V166 HydrophobicContact CE3-CB 4.02Å; W163-V166 HydrophobicContact CE3-CG1 4.02Å; W163-V166 HydrophobicContact CE3-CG2 4.1Å; W163-V166 HydrophobicContact CZ3-CB 4.4Å; W163-V166 HydrophobicContact CZ3-CG1 4.06Å; W163-V166 HydrophobicContact CZ3-CG2 4.24Å; W163-V166 PolarHBondContact O-N 3.05Å; V166-R168 VanDerWaalsContact C-N 3.29Å; V166-R168 PolarHBondContact O-N 3.26Å; V166-A169 WeakPolarHBondContact O-CB 3.47Å; V166-A169 PolarHBondContact O-N 2.99Å; V166-A169 VanDerWaalsContact O-N 3.09Å; V166-F170 HydrophobicContact CG1-CD2 3.73Å; V166-F170 HydrophobicContact CG1-CE2 3.49Å; V166-F170 VanDerWaalsContact CG1-CE2 3.49Å; V166-F170 WeakPolarHBondContact O-CD2 3.2Å; V166-F170 PolarHBondContact O-N 3.39Å; V166-V185 HydrophobicContact CG1-CG1 3.89Å; V166-A187 HydrophobicContact CG2-CB 4.48Å; V166-L199 HydrophobicContact CG1-CD1 3.76Å; V166-L199 HydrophobicContact CG2-CD1 4.07Å
167A95.8Very high94.4Very high35 Ų3571.4 Ų71.429%0.28934%0.344SS..Hα-helixtrans-55.7-44.7175.400000112.3W117 W163 F170 K171W117-A167 HydrophobicContact CZ2-CB 3.71Å; W163-A167 WeakPolarHBondContact O-CB 3.23Å; W163-A167 PolarHBondContact O-N 2.95Å; A167-F170 PolarHBondContact O-N 2.96Å; A167-K171 PolarHBondContact O-N 2.79Å; A167-K171 VanDerWaalsContact O-N 3.09Å
168R95.9Very high94.3Very high187 Ų18766.9 Ų66.971%0.70631%0.312SS*.Hα-helixtrans-66.4-38.2177.2-69.1172.8-173.4-87.21.6111.8K164 Q165 V166 K171 K172K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 2.97Å; Q165-R168 PolarHBondContact O-N 3.29Å; V166-R168 VanDerWaalsContact C-N 3.29Å; V166-R168 PolarHBondContact O-N 3.26Å; R168-K171 PolarHBondContact O-N 2.94Å; R168-K172 WeakPolarHBondContact O-CB 3.42Å; R168-K172 PolarHBondContact O-N 2.87Å
169A95.6Very high94.1Very high17 Ų1769 Ų6914%0.1433%0.327CS..Hα-helixtrans-63.1-48.7176.500000111Q165 V166 K171 K172 M173 V185Q165-A169 PolarHBondContact O-N 3.36Å; V166-A169 WeakPolarHBondContact O-CB 3.47Å; V166-A169 PolarHBondContact O-N 2.99Å; V166-A169 VanDerWaalsContact O-N 3.09Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.94Å; A169-K172 WeakPolarHBondContact O-CB 3.21Å; A169-K172 PolarHBondContact O-N 3.09Å; A169-K172 VanDerWaalsContact O-N 3.07Å; A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 3.16Å; A169-V185 HydrophobicContact CB-CG1 3.74Å
170F95.7Very high93.9Very high0 Ų068.9 Ų68.90%032%0.324CS..Hα-helixtrans-54.5-46.8173.3-81.7-62.8000112.1F107 W117 V128 V130 Y145 V166 A167 K172 M173 R174 V177 V185F107-F170 HydrophobicContact CD1-CB 4.17Å; F107-F170 HydrophobicContact CE1-CB 4.05Å; F107-F170 HydrophobicContact CE1-CD1 4.41Å; F107-F170 HydrophobicContact CE1-CG 4.4Å; W117-F170 AromaticContact CD2-CD2 3.9Å; W117-F170 HydrophobicContact CD2-CD2 3.9Å; W117-F170 AromaticContact CD2-CE2 3.81Å; W117-F170 HydrophobicContact CD2-CE2 3.81Å; W117-F170 AromaticContact CE2-CD2 3.79Å; W117-F170 HydrophobicContact CE3-CD2 4.46Å; W117-F170 AromaticContact CE3-CE2 4Å; W117-F170 HydrophobicContact CE3-CE2 4Å; W117-F170 HydrophobicContact CG-CD2 4.13Å; W117-F170 HydrophobicContact CG-CE2 4.13Å; W117-F170 HydrophobicContact CZ2-CD2 4.28Å; W117-F170 HydrophobicContact CZ3-CE2 4.45Å; W117-F170 AromaticContact NE1-CD2 3.91Å; V128-F170 HydrophobicContact CG1-CE2 4.11Å; V128-F170 HydrophobicContact CG1-CZ 3.99Å; V130-F170 HydrophobicContact CG2-CE1 4.07Å; V130-F170 HydrophobicContact CG2-CZ 4.2Å; Y145-F170 HydrophobicContact CD2-CE1 4.18Å; Y145-F170 HydrophobicContact CD2-CZ 4.27Å; Y145-F170 AromaticContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CZ 4.47Å; Y145-F170 HydrophobicContact CG-CZ 4.46Å; V166-F170 HydrophobicContact CG1-CD2 3.73Å; V166-F170 HydrophobicContact CG1-CE2 3.49Å; V166-F170 VanDerWaalsContact CG1-CE2 3.49Å; V166-F170 WeakPolarHBondContact O-CD2 3.2Å; V166-F170 PolarHBondContact O-N 3.39Å; A167-F170 PolarHBondContact O-N 2.96Å; F170-K172 VanDerWaalsContact C-N 3.3Å; F170-K172 PolarHBondContact O-N 2.8Å; F170-M173 CarbonylContact O-C 3.54Å; F170-M173 PolarHBondContact O-N 2.8Å; F170-R174 WeakPolarHBondContact O-CA 3.37Å; F170-R174 PolarHBondContact O-N 2.04Å; F170-V177 HydrophobicContact CD1-CG1 4.28Å; F170-V177 HydrophobicContact CD1-CG2 3.94Å; F170-V177 HydrophobicContact CE1-CG1 4.32Å; F170-V185 HydrophobicContact CD1-CG2 3.97Å; F170-V185 HydrophobicContact CD2-CG1 4.09Å; F170-V185 HydrophobicContact CE1-CG1 4.43Å; F170-V185 HydrophobicContact CE1-CG2 3.61Å; F170-V185 HydrophobicContact CE2-CG1 3.98Å; F170-V185 HydrophobicContact CG-CG1 4.36Å; F170-V185 HydrophobicContact CZ-CG1 4.15Å; F170-V185 HydrophobicContact CZ-CG2 3.93Å
171K95Very high93.7Very high146 Ų14664.1 Ų64.164%0.63531%0.308SS*.Hα-helixtrans-61.5-38177.5-166.4173.8-174.1176.80112.5A167 R168 A169A167-K171 PolarHBondContact O-N 2.79Å; A167-K171 VanDerWaalsContact O-N 3.09Å; R168-K171 PolarHBondContact O-N 2.94Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.94Å
172K94.4Very high93.3Very high192 Ų19273.9 Ų73.984%0.83534%0.341SS*.Hα-helixtrans-68.1-36.8178.3-176.7178.1179.3178.90112.4R168 A169 F170R168-K172 WeakPolarHBondContact O-CB 3.42Å; R168-K172 PolarHBondContact O-N 2.87Å; A169-K172 WeakPolarHBondContact O-CB 3.21Å; A169-K172 PolarHBondContact O-N 3.09Å; A169-K172 VanDerWaalsContact O-N 3.07Å; F170-K172 VanDerWaalsContact C-N 3.3Å; F170-K172 PolarHBondContact O-N 2.8Å
173M93.6Very high93Very high28 Ų2874.4 Ų74.414%0.13835%0.345CS..THydrogen-bonded Turntrans-105.723.6-178.671179.9-92.100113.5A169 F170 D175 K176 V177 A183 V185A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 3.16Å; F170-M173 CarbonylContact O-C 3.54Å; F170-M173 PolarHBondContact O-N 2.8Å; M173-D175 PolarHBondContact O-N 2.8Å; M173-K176 HydrophobicContact CE-CB 4.32Å; M173-K176 WeakPolarHBondContact O-CA 3.14Å; M173-K176 WeakPolarHBondContact O-CB 3.19Å; M173-K176 PolarHBondContact O-N 3.05Å; M173-V177 HydrophobicContact CE-CG2 4.48Å; M173-V177 HydrophobicContact CG-CG2 4.22Å; M173-V177 WeakPolarHBondContact O-CG2 3.23Å; M173-V177 PolarHBondContact O-N 3.29Å; M173-A183 HydrophobicContact CE-CB 3.35Å; M173-A183 HydrophobicContact SD-CB 4.38Å; M173-V185 HydrophobicContact CE-CG2 4.1Å; M173-V185 HydrophobicContact SD-CG2 3.64Å
174R92.6Very high92.8Very high99 Ų9975.4 Ų75.437%0.37435%0.351SS..G310 helixtrans-46.5-42.1-170.864.8-171.3-177.2178.6-6114.1F107 V108 T109 F170 K176 V177F107-R174 HydrophobicContact CD2-CB 3.77Å; F107-R174 HydrophobicContact CE2-CB 3.95Å; V108-R174 WeakPolarHBondContact O-CD 3.34Å; T109-R174 HydrophobicContact CG2-CB 4.29Å; T109-R174 WeakPolarHBondContact CG2-O 3.26Å; F170-R174 WeakPolarHBondContact O-CA 3.37Å; F170-R174 PolarHBondContact O-N 2.04Å; R174-K176 PolarHBondContact O-N 3.38Å; R174-V177 PolarHBondContact O-N 3.5Å
175D91.5Very high92.7Very high83 Ų8370.1 Ų70.144%0.44433%0.328SS..G310 helixtrans-76.9-9-176-52.1-54.4000113.2S110 M173S110-D175 WeakPolarHBondContact CB-OD1 3.39Å; S110-D175 PolarHBondContact N-OD1 2.83Å; S110-D175 VanDerWaalsContact OG-CG 3.26Å; S110-D175 PolarHBondContact OG-OD1 2.89Å; M173-D175 PolarHBondContact O-N 2.8Å
176K92.5Very high92.5Very high113 Ų11373.5 Ų73.549%0.49134%0.343SS..G310 helixtrans-105.3-7.8178.8-58.1-175.1-179.5-170.80112.9M173 R174 V179 D180 A183M173-K176 HydrophobicContact CE-CB 4.32Å; M173-K176 WeakPolarHBondContact O-CA 3.14Å; M173-K176 WeakPolarHBondContact O-CB 3.19Å; M173-K176 PolarHBondContact O-N 3.05Å; R174-K176 PolarHBondContact O-N 3.38Å; K176-V179 PolarHBondContact O-N 3.27Å; K176-D180 HydrophobicContact CB-CB 4.05Å; K176-D180 PolarHBondContact O-N 2.88Å; K176-A183 HydrophobicContact CB-CB 4.4Å
177V93.6Very high92.4Very high9 Ų973.6 Ų73.66%0.05534%0.343CS..THydrogen-bonded Turntrans-65.9134.3-176.3-178.50000110F107 V130 Y145 F170 M173 R174 V179F107-V177 HydrophobicContact CE2-CB 4.44Å; F107-V177 HydrophobicContact CE2-CG2 4.13Å; F107-V177 HydrophobicContact CZ-CB 4.03Å; F107-V177 HydrophobicContact CZ-CG1 3.93Å; F107-V177 HydrophobicContact CZ-CG2 3.79Å; V130-V177 HydrophobicContact CG1-CG1 3.86Å; V130-V177 HydrophobicContact CG2-CG1 4.39Å; Y145-V177 HydrophobicContact CE2-CG1 4.17Å; F170-V177 HydrophobicContact CD1-CG1 4.28Å; F170-V177 HydrophobicContact CD1-CG2 3.94Å; F170-V177 HydrophobicContact CE1-CG1 4.32Å; M173-V177 HydrophobicContact CE-CG2 4.48Å; M173-V177 HydrophobicContact CG-CG2 4.22Å; M173-V177 WeakPolarHBondContact O-CG2 3.23Å; M173-V177 PolarHBondContact O-N 3.29Å; R174-V177 PolarHBondContact O-N 3.5Å; V177-V179 PolarHBondContact O-N 2.59Å
178C91.3Very high92.1Very high8 Ų882.2 Ų82.25%0.05437%0.368CS..THydrogen-bonded Turntrans59.84.4-174-54.50000116.2T141 C143 Y145T141-C178 HydrophobicContact CG2-CB 4.23Å; C143-C178 HydrophobicContact CB-CB 3.66Å; C143-C178 WeakPolarHBondContact CB-SG 3.22Å; C143-C178 WeakPolarHBondContact SG-CA 3.18Å; C143-C178 WeakPolarHBondContact SG-CB 3.47Å; C143-C178 CovalentContact SG-SG 2.03Å; C143-C178 PolarHBondContact SG-SG 2.99Å; Y145-C178 PolarHBondContact OH-N 3.24Å
179V90.3Very high92Very high115 Ų11576 Ų7670%0.69735%0.348SS*.THydrogen-bonded Turntrans-111-53.7179.9-179.50000110.6K176 V177K176-V179 PolarHBondContact O-N 3.27Å; V177-V179 PolarHBondContact O-N 2.59Å
180D89.6Confident91.8Very high54 Ų5475.2 Ų75.229%0.28934%0.341SS..  trans-93.9108.5-174.6-173.8-5.1000111.5K176 R182 A183K176-D180 HydrophobicContact CB-CB 4.05Å; K176-D180 PolarHBondContact O-N 2.88Å; D180-R182 PolarHBondContact O-N 2.77Å; D180-R182 WeakPolarHBondContact OD1-CA 3.39Å; D180-R182 WeakPolarHBondContact OD1-CB 3.47Å; D180-R182 PolarHBondContact OD1-N 2.8Å; D180-A183 HydrophobicContact CB-CB 3.83Å; D180-A183 PolarHBondContact O-N 2.47Å; D180-A183 PolarHBondContact OD1-N 3.39Å
181V88.5Confident91.4Very high58 Ų5882.5 Ų82.535%0.35237%0.373SS..THydrogen-bonded Turntrans-66.4-24.9177.8-174.90000112.3L201 R203V181-L201 HydrophobicContact CG2-CD2 4.26Å; V181-R203 HydrophobicContact CG1-CB 4.12Å; V181-R203 HydrophobicContact CG2-CB 4.1Å; V181-R203 HydrophobicContact CG2-CG 3.89Å
182R86.8Confident91Very high224 Ų22483.3 Ų83.385%0.84538%0.379SS*.THydrogen-bonded Turntrans-84.9-18.3-179.5-59-179-178.2-174.81.1111.9D180 L184D180-R182 PolarHBondContact O-N 2.77Å; D180-R182 WeakPolarHBondContact OD1-CA 3.39Å; D180-R182 WeakPolarHBondContact OD1-CB 3.47Å; D180-R182 PolarHBondContact OD1-N 2.8Å; R182-L184 PolarHBondContact O-N 3.22Å
183A87.7Confident90.6Very high13 Ų1375.2 Ų75.211%0.10735%0.348CS..  trans-70.9121.1-179.800000111.1M173 K176 D180M173-A183 HydrophobicContact CE-CB 3.35Å; M173-A183 HydrophobicContact SD-CB 4.38Å; K176-A183 HydrophobicContact CB-CB 4.4Å; D180-A183 HydrophobicContact CB-CB 3.83Å; D180-A183 PolarHBondContact O-N 2.47Å; D180-A183 PolarHBondContact OD1-N 3.39Å
184L90.5Very high90.2Very high37 Ų3777.2 Ų77.219%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-98.1129.9-179.8-65.3174.2000110.2R182 K186 R200R182-L184 PolarHBondContact O-N 3.22Å; L184-K186 HydrophobicContact CB-CD 4.45Å; L184-K186 HydrophobicContact CB-CG 3.89Å; L184-K186 PolarHBondContact O-N 2.97Å; L184-R200 HydrophobicContact CD2-CB 4.26Å; L184-R200 HydrophobicContact CD2-CG 3.48Å; L184-R200 VanDerWaalsContact CD2-CG 3.48Å
185V94.3Very high89.8Confident1 Ų181.6 Ų81.61%0.00638%0.38CS..EExtended strand (participates in β ladder)trans-85.3100.6170.5-1790000107.2Y145 V166 A169 F170 M173 L199Y145-V185 HydrophobicContact CD1-CG2 3.97Å; Y145-V185 HydrophobicContact CE1-CG2 3.72Å; V166-V185 HydrophobicContact CG1-CG1 3.89Å; A169-V185 HydrophobicContact CB-CG1 3.74Å; F170-V185 HydrophobicContact CD1-CG2 3.97Å; F170-V185 HydrophobicContact CD2-CG1 4.09Å; F170-V185 HydrophobicContact CE1-CG1 4.43Å; F170-V185 HydrophobicContact CE1-CG2 3.61Å; F170-V185 HydrophobicContact CE2-CG1 3.98Å; F170-V185 HydrophobicContact CG-CG1 4.36Å; F170-V185 HydrophobicContact CZ-CG1 4.15Å; F170-V185 HydrophobicContact CZ-CG2 3.93Å; M173-V185 HydrophobicContact CE-CG2 4.1Å; M173-V185 HydrophobicContact SD-CG2 3.64Å; V185-L199 HydrophobicContact CB-CB 4.01Å; V185-L199 HydrophobicContact CG1-CD1 4.35Å; V185-L199 PolarHBondContact N-O 2.95Å; V185-L199 PolarHBondContact O-N 3.22Å
186K91.3Very high89.5Confident125 Ų12580.6 Ų80.654%0.54337%0.374SS..  trans-101.5129.6-172.2-61.3-177.1179.7174.60111.9L184 N198L184-K186 HydrophobicContact CB-CD 4.45Å; L184-K186 HydrophobicContact CB-CG 3.89Å; L184-K186 PolarHBondContact O-N 2.97Å; K186-N198 WeakPolarHBondContact CA-OD1 3.42Å; K186-N198 WeakPolarHBondContact CG-OD1 3.35Å
187A93Very high89.2Confident2 Ų275.2 Ų75.22%0.01735%0.351CS..  trans-85.6127.416300000109.1F162 Q165 V166 M189 C190F162-A187 HydrophobicContact CD2-CB 3.44Å; F162-A187 VanDerWaalsContact CD2-CB 3.44Å; F162-A187 HydrophobicContact CE2-CB 3.43Å; F162-A187 VanDerWaalsContact CE2-CB 3.43Å; F162-A187 HydrophobicContact CG-CB 4.32Å; F162-A187 HydrophobicContact CZ-CB 4.3Å; Q165-A187 HydrophobicContact CB-CB 4.1Å; V166-A187 HydrophobicContact CG2-CB 4.48Å; A187-M189 HydrophobicContact CB-CG 4.07Å; A187-M189 PolarHBondContact O-N 3.18Å; A187-C190 CarbonylContact O-C 3.5Å; A187-C190 WeakPolarHBondContact O-CA 3.43Å; A187-C190 PolarHBondContact O-N 3.36Å
188R91Very high89.1Confident215 Ų21575.5 Ų75.581%0.81135%0.352SS*.G310 helixtrans-58.7-32.9-179.3-176177.2173.4175.4-1.5112.5C190 K191R188-C190 PolarHBondContact O-N 3.14Å; R188-K191 WeakPolarHBondContact O-CB 3.33Å; R188-K191 PolarHBondContact O-N 3.3Å
189M92.7Very high89.3Confident56 Ų5675.1 Ų75.128%0.27635%0.349SS..G310 helixtrans-64.6-19.2175.364.4179.663.600113.5A161 F162 Q165 A187A161-M189 HydrophobicContact CB-CE 3.57Å; F162-M189 VanDerWaalsContact CA-CE 3.46Å; F162-M189 VanDerWaalsContact CA-SD 3.56Å; F162-M189 HydrophobicContact CB-CE 4.15Å; F162-M189 HydrophobicContact CB-SD 3.57Å; F162-M189 VanDerWaalsContact CB-SD 3.57Å; F162-M189 HydrophobicContact CD2-CG 4.24Å; F162-M189 HydrophobicContact CD2-SD 3.94Å; F162-M189 HydrophobicContact CG-SD 4.26Å; Q165-M189 VanDerWaalsContact CD-CE 3.45Å; Q165-M189 HydrophobicContact CG-CE 4.25Å; Q165-M189 VanDerWaalsContact NE2-CE 3.31Å; A187-M189 HydrophobicContact CB-CG 4.07Å; A187-M189 PolarHBondContact O-N 3.18Å
190C91.3Very high89.4Confident1 Ų175.9 Ų75.91%0.00734%0.34CS..G310 helixtrans-107.225.2178.6-570000112.3C152 A187 R188 H192 A193C152-C190 HydrophobicContact CB-CB 3.77Å; C152-C190 WeakPolarHBondContact CB-SG 3.43Å; C152-C190 WeakPolarHBondContact SG-CA 3.26Å; C152-C190 WeakPolarHBondContact SG-CB 3.32Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 3.01Å; A187-C190 CarbonylContact O-C 3.5Å; A187-C190 WeakPolarHBondContact O-CA 3.43Å; A187-C190 PolarHBondContact O-N 3.36Å; R188-C190 PolarHBondContact O-N 3.14Å; C190-H192 PolarHBondContact O-N 2.97Å; C190-A193 HydrophobicContact CB-CB 3.87Å; C190-A193 WeakPolarHBondContact O-CB 3.49Å; C190-A193 PolarHBondContact O-N 2.88Å; C190-A193 VanDerWaalsContact O-N 3.13Å
191K87Confident89.7Confident153 Ų15373.7 Ų73.767%0.66533%0.328SS*.THydrogen-bonded Turntrans-60.8-30.7-177.189.2177.3-171.2-179.70113.4R188R188-K191 WeakPolarHBondContact O-CB 3.33Å; R188-K191 PolarHBondContact O-N 3.3Å
192H86.6Confident89.9Confident163 Ų16373 Ų7376%0.75532%0.322SS*.THydrogen-bonded Turntrans-100-2-179.5-65.4-60.7000113.1C190C190-H192 PolarHBondContact O-N 2.97Å
193A86.9Confident90Very high23 Ų2370.7 Ų70.719%0.1931%0.314CS..SBendtrans-72.1158.7177.500000110.1C152 C190 A197C152-A193 HydrophobicContact CB-CB 3.81Å; C190-A193 HydrophobicContact CB-CB 3.87Å; C190-A193 WeakPolarHBondContact O-CB 3.49Å; C190-A193 PolarHBondContact O-N 2.88Å; C190-A193 VanDerWaalsContact O-N 3.13Å; A193-A197 HydrophobicContact CB-CB 3.51Å
194P85.5Confident90.1Very high69 Ų6976.6 Ų76.645%0.44834%0.343SS..  trans-58.7159.7174.727.4-36.7000111.4D196 A197P194-D196 WeakPolarHBondContact CB-OD1 3.26Å; P194-D196 VanDerWaalsContact CG-OD1 3.24Å; P194-D196 WeakPolarHBondContact CG-OD1 3.29Å; P194-D196 PolarHBondContact O-N 3.13Å; P194-D196 VanDerWaalsContact O-N 3.17Å; P194-A197 WeakPolarHBondContact O-CB 3.34Å; P194-A197 PolarHBondContact O-N 2.92Å
195R84.3Confident90Very high192 Ų19275.8 Ų75.873%0.72534%0.341SS*.G310 helixtrans-63.1-27.5-171.1-70.4-158.3-171.5-130.46113.1A197 N198R195-A197 VanDerWaalsContact C-N 3.28Å; R195-N198 PolarHBondContact O-N 2.97Å
196D83.9Confident89.9Confident62 Ų6277.8 Ų77.833%0.33235%0.353SS..G310 helixtrans-72.7-17176.965.6-31000113.4G147 R148 P194 N198G147-D196 CarbonylContact C-O 3.55Å; G147-D196 WeakPolarHBondContact CA-O 3.47Å; R148-D196 PolarHBondContact N-O 2.95Å; R148-D196 IonicContact NH1-OD2 2.77Å; R148-D196 PolarHBondContact NH1-OD2 3.3Å; P194-D196 WeakPolarHBondContact CB-OD1 3.26Å; P194-D196 VanDerWaalsContact CG-OD1 3.24Å; P194-D196 WeakPolarHBondContact CG-OD1 3.29Å; P194-D196 PolarHBondContact O-N 3.13Å; P194-D196 VanDerWaalsContact O-N 3.17Å; D196-N198 PolarHBondContact O-N 3.45Å
197A88.2Confident89.8Confident0 Ų079.2 Ų79.20%036%0.359CS..G310 helixtrans-64.6-25.1170.500000113.1R148 S151 C152 A193 P194 R195R148-A197 WeakPolarHBondContact O-CA 3.36Å; S151-A197 WeakPolarHBondContact OG-CA 3.26Å; S151-A197 WeakPolarHBondContact OG-CB 3.22Å; C152-A197 HydrophobicContact CB-CB 4.23Å; A193-A197 HydrophobicContact CB-CB 3.51Å; P194-A197 WeakPolarHBondContact O-CB 3.34Å; P194-A197 PolarHBondContact O-N 2.92Å; R195-A197 VanDerWaalsContact C-N 3.28Å
198N91.4Very high89.5Confident14 Ų1488.4 Ų88.48%0.07539%0.393CS..SBendtrans-90.8152.1-179.2-62.3-88.9000110.4K186 R195 D196K186-N198 WeakPolarHBondContact CA-OD1 3.42Å; K186-N198 WeakPolarHBondContact CG-OD1 3.35Å; R195-N198 PolarHBondContact O-N 2.97Å; D196-N198 PolarHBondContact O-N 3.45Å
199L94.1Very high89Confident0 Ų081.8 Ų81.80%038%0.38CS..EExtended strand (participates in β ladder)trans-81129.3-179.3-65170.1000110.4V128 R146 W163 V166 V185V128-L199 HydrophobicContact CG2-CD1 3.82Å; V128-L199 HydrophobicContact CG2-CD2 3.92Å; R146-L199 WeakPolarHBondContact O-CA 3.32Å; W163-L199 HydrophobicContact CZ3-CD1 4.12Å; V166-L199 HydrophobicContact CG1-CD1 3.76Å; V166-L199 HydrophobicContact CG2-CD1 4.07Å; V185-L199 HydrophobicContact CB-CB 4.01Å; V185-L199 HydrophobicContact CG1-CD1 4.35Å; V185-L199 PolarHBondContact N-O 2.95Å; V185-L199 PolarHBondContact O-N 3.22Å
200R93.7Very high87.9Confident131 Ų13183.4 Ų83.449%0.49439%0.393SS..EExtended strand (participates in β ladder)trans-120.8140.9-179.7-47.9-168.158.7-174.7-5110.3Y145 R146 L184 D202Y145-R200 CarbonylContact C-O 3.6Å; Y145-R200 WeakPolarHBondContact CA-O 3.39Å; Y145-R200 VanDerWaalsContact CD1-C 3.44Å; R146-R200 PolarHBondContact N-O 2.94Å; R146-R200 PolarHBondContact O-N 3.45Å; L184-R200 HydrophobicContact CD2-CB 4.26Å; L184-R200 HydrophobicContact CD2-CG 3.48Å; L184-R200 VanDerWaalsContact CD2-CG 3.48Å; R200-D202 PolarHBondContact O-N 3.4Å
201L94.8Very high86.2Confident9 Ų986.5 Ų86.55%0.04742%0.419CS..EExtended strand (participates in β ladder)trans-65.7127.5174179.360.3000110C143 Y145 V181 R203 V206C143-L201 HydrophobicContact CB-CD1 3.63Å; C143-L201 VanDerWaalsContact SG-CD1 3.55Å; Y145-L201 HydrophobicContact CD1-CB 4.14Å; Y145-L201 VanDerWaalsContact CD1-N 3.33Å; Y145-L201 HydrophobicContact CD2-CD1 4.25Å; Y145-L201 HydrophobicContact CE1-CB 3.74Å; Y145-L201 HydrophobicContact CE2-CD1 3.89Å; V181-L201 HydrophobicContact CG2-CD2 4.26Å; L201-R203 PolarHBondContact O-N 2.85Å; L201-V206 HydrophobicContact CD1-CG2 4.19Å; L201-V206 HydrophobicContact CD2-CG2 4.29Å
202D92.6Very high84.3Confident43 Ų4382.3 Ų82.323%0.2341%0.413CS..  trans-78.5108.5166.7-176.5-13.2000108.3E144 R146 R200 N204 S205E144-D202 PolarHBondContact O-N 3.32Å; R146-D202 IonicContact CZ-OD2 3.46Å; R146-D202 IonicContact NE-OD2 3.17Å; R146-D202 IonicContact NH2-OD2 3.7Å; R200-D202 PolarHBondContact O-N 3.4Å; D202-N204 PolarHBondContact O-N 3.33Å; D202-N204 VanDerWaalsContact O-N 3.12Å; D202-N204 PolarHBondContact OD1-N 3.38Å; D202-N204 VanDerWaalsContact OD1-N 3.13Å; D202-S205 WeakPolarHBondContact O-CB 3.35Å; D202-S205 PolarHBondContact O-N 2.88Å; D202-S205 PolarHBondContact O-OG 2.92Å
203R89.4Confident82.4Confident176 Ų17680.2 Ų80.266%0.66441%0.413SS*.G310 helixtrans-54.5-35.1-175.6-173.2177.179.11775.8112.5V181 L201 S205V181-R203 HydrophobicContact CG1-CB 4.12Å; V181-R203 HydrophobicContact CG2-CB 4.1Å; V181-R203 HydrophobicContact CG2-CG 3.89Å; L201-R203 PolarHBondContact O-N 2.85Å; R203-S205 VanDerWaalsContact C-N 3.26Å; R203-S205 PolarHBondContact O-N 3.37Å
204N90Very high80.3Confident136 Ų13686 Ų8673%0.72745%0.447SS*.G310 helixtrans-84-6.8-174.1-61.4-5000112.2D202D202-N204 PolarHBondContact O-N 3.33Å; D202-N204 VanDerWaalsContact O-N 3.12Å; D202-N204 PolarHBondContact OD1-N 3.38Å; D202-N204 VanDerWaalsContact OD1-N 3.13Å
205S89.1Confident78.1Confident20 Ų2088 Ų8814%0.1446%0.458CS..G310 helixtrans-89.7-8.8-178.673.90000114.3E144 D202 R203 K207E144-S205 WeakPolarHBondContact CB-OG 3Å; E144-S205 PolarHBondContact N-OG 3.34Å; E144-S205 PolarHBondContact O-OG 3.35Å; D202-S205 WeakPolarHBondContact O-CB 3.35Å; D202-S205 PolarHBondContact O-N 2.88Å; D202-S205 PolarHBondContact O-OG 2.92Å; R203-S205 VanDerWaalsContact C-N 3.26Å; R203-S205 PolarHBondContact O-N 3.37Å; S205-K207 PolarHBondContact O-N 3.26Å
206V91.1Very high76.1Confident43 Ų4384.3 Ų84.326%0.26146%0.459SS..  trans-71.7116.4-176.6-176.60000109.5G142 C143 L201G142-V206 CarbonylContact O-C 3.59Å; G142-V206 WeakPolarHBondContact O-CA 3.35Å; C143-V206 HydrophobicContact CB-CG2 3.96Å; L201-V206 HydrophobicContact CD1-CG2 4.19Å; L201-V206 HydrophobicContact CD2-CG2 4.29Å
207K89.4Confident74.2Confident155 Ų15587.2 Ų87.267%0.67448%0.481SS*.EExtended strand (participates in β ladder)trans-115.1128.6177.8-62.9-178.6-177-171.20109T141 G142 S205T141-K207 CarbonylContact C-O 3.55Å; T141-K207 VanDerWaalsContact CA-O 3.3Å; T141-K207 WeakPolarHBondContact CA-O 3.22Å; G142-K207 PolarHBondContact N-O 3.44Å; G142-K207 PolarHBondContact O-N 2.93Å; S205-K207 PolarHBondContact O-N 3.26Å
208R87.7Confident72Confident195 Ų19593.8 Ų93.874%0.73652%0.521SS*.EExtended strand (participates in β ladder)trans-117.4128.9173.1-102.5175.9-93.5145.9-5.5108.6T141T141-R208 HydrophobicContact CG2-CG 3.93Å; T141-R208 WeakPolarHBondContact OG1-CG 3.16Å
209S79.8Confident69.4Low77 Ų77101.5 Ų101.554%0.53856%0.556SS.*EExtended strand (participates in β ladder)trans-126114.2173.9-59.20000107.6K140K140-S209 PolarHBondContact N-O 3.22Å; K140-S209 PolarHBondContact O-N 2.9Å
210T68.3Low67.4Low90 Ų90107 Ų10755%0.55259%0.592SS**EExtended strand (participates in β ladder)trans-102.1120.3168.5-55.80000106.5V138 N139 A212V138-T210 HydrophobicContact CG1-CG2 4.44Å; V138-T210 CarbonylContact O-C 3.56Å; V138-T210 VanDerWaalsContact O-CA 3.29Å; V138-T210 WeakPolarHBondContact O-CA 3.33Å; N139-T210 VanDerWaalsContact OD1-CG2 3.23Å; N139-T210 WeakPolarHBondContact OD1-CG2 3.34Å; N139-T210 PolarHBondContact OD1-OG1 3.5Å; T210-A212 PolarHBondContact O-N 2.94Å
211A56.1Low64.5Low66 Ų66106.8 Ų106.855%0.54561%0.606SS.*  trans-70.787.9167.100000107.3V138V138-A211 HydrophobicContact CG1-CB 4.26Å; V138-A211 VanDerWaalsContact CG1-O 3.26Å; V138-A211 WeakPolarHBondContact CG1-O 3.4Å; V138-A211 PolarHBondContact O-N 2.87Å
212A46.9Very low62.3Low65 Ų65112.4 Ų112.454%0.53765%0.646SS.*  trans-72.3145.4168.200000109.3T210T210-A212 PolarHBondContact O-N 2.94Å
213P46.6Very low59.7Low118 Ų118114.8 Ų114.877%0.76667%0.671SS**SBendtrans-59.6136.2156.9-1.716.5000107.7T215P213-T215 PolarHBondContact O-N 3.44Å
214T43.5Very low57.3Low145 Ų145110.7 Ų110.789%0.8968%0.675SS**SBendtrans-4.589.2169.5-50.10000115.3
215T39.6Very low55Low112 Ų112109.3 Ų109.369%0.68768%0.675SS**  trans-171.3122.3148.4-52.70000107P213P213-T215 PolarHBondContact O-N 3.44Å
216P42.8Very low52.8Low114 Ų114114.1 Ų114.174%0.7470%0.703SS**PPolyproline II helixtrans-72.2135.8-178.426.6-30.9000111.9V218P216-V218 PolarHBondContact O-N 2.92Å
217P42.4Very low50.7Low122 Ų122120.5 Ų120.579%0.79273%0.727SS**PPolyproline II helixtrans-78.2119.1173.830.1-29.8000110.2Q219P217-Q219 PolarHBondContact O-N 2.86Å
218V43.4Very low48.8Very low138 Ų138122 Ų12284%0.83673%0.728SS**PPolyproline II helixtrans-58.4119.3165.6176.60000108.9P216P216-V218 PolarHBondContact O-N 2.92Å
219Q36.8Very low47Very low176 Ų176116 Ų11682%0.82272%0.721SS**  trans-122.5138.2154-90-169.5-25.200109.8P217 T221P217-Q219 PolarHBondContact O-N 2.86Å; Q219-T221 PolarHBondContact O-N 3.44Å
220P51.1Low45.5Very low117 Ų117117.4 Ų117.476%0.7672%0.723SS**  trans-88.5111.8-169.234-29.4000109.7
221T33.6Very low44.7Very low126 Ų126120.3 Ų120.377%0.77373%0.73SS**  trans-142.4112.3154.545.80000108.5Q219 A223Q219-T221 PolarHBondContact O-N 3.44Å; T221-A223 PolarHBondContact O-N 2.74Å
222S48.1Very low44.4Very low127 Ų127126.2 Ų126.289%0.88874%0.738SS**  trans-32.3104.4163.3510000112.6
223A38Very low44.8Very low93 Ų93132.4 Ų132.477%0.76975%0.747SS**  trans-126.7102.5158.700000105.8T221T221-A223 PolarHBondContact O-N 2.74Å
224A38.5Very low45.1Very low89 Ų89131.5 Ų131.574%0.73674%0.74SS**  trans-45.9143174.100000110.9V226A224-V226 PolarHBondContact O-N 3.24Å
225C42.6Very low45.7Very low107 Ų107126.6 Ų126.672%0.72371%0.714SS**  trans-45.899.4173.8-162.80000110.7K227C225-K227 PolarHBondContact O-N 2.97Å
226V43.6Very low46.4Very low122 Ų122127.1 Ų127.174%0.73971%0.713SS**  trans-75.5123.3173.2179.60000107A224 R228A224-V226 PolarHBondContact O-N 3.24Å; V226-R228 PolarHBondContact O-N 2.94Å
227K45.2Very low47.2Very low177 Ų177129.8 Ų129.877%0.7772%0.716SS**  trans-53132.1-173.7-126.9173.4-179.2175.60111.1C225 A229 D230C225-K227 PolarHBondContact O-N 2.97Å; K227-A229 PolarHBondContact O-N 3.48Å; K227-D230 PolarHBondContact O-N 2.91Å
228R50.2Low48.1Very low185 Ų185132.3 Ų132.370%0.69871%0.714SS**Hα-helixtrans-46.8-10.8178.9-74.3177.8168.688.8-1.6117.1V226V226-R228 PolarHBondContact O-N 2.94Å
229A49.7Very low49.3Very low70 Ų70126.6 Ų126.658%0.57968%0.68SS**Hα-helixtrans-80.4-36-173.700000113.5K227K227-A229 PolarHBondContact O-N 3.48Å
230D48.9Very low50.5Low107 Ų107123.1 Ų123.157%0.57268%0.676SS**Hα-helixtrans-79.4-35.4-176.2-76.9-31.7000112.5K227 R232 R233 T234K227-D230 PolarHBondContact O-N 2.91Å; D230-R232 VanDerWaalsContact C-N 3.26Å; D230-R232 PolarHBondContact O-N 3.04Å; D230-R233 PolarHBondContact O-N 3.46Å; D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 PolarHBondContact O-OG1 3.29Å
231Q50.4Low50.9Low151 Ų151123.2 Ų123.271%0.70668%0.679SS**Hα-helixtrans-66-29.4178-123-161.4-11.600113T234 A235Q231-T234 PolarHBondContact O-N 3.03Å; Q231-A235 WeakPolarHBondContact O-CB 3.4Å; Q231-A235 PolarHBondContact O-N 3.48Å
232R51.3Low52.3Low189 Ų189123.3 Ų123.371%0.71367%0.665SS**Hα-helixtrans-68.6-38.3-178.6-149.1171.2-173.9167.31.8111.5D230 A235 D236D230-R232 VanDerWaalsContact C-N 3.26Å; D230-R232 PolarHBondContact O-N 3.04Å; R232-A235 PolarHBondContact O-N 3.31Å; R232-D236 PolarHBondContact O-N 3.45Å; R232-D236 VanDerWaalsContact O-N 3.12Å
233R53.7Low53Low195 Ų195120 Ų12074%0.73665%0.645SS**Hα-helixtrans-67.2-39.2174.7-83.3-174.7174.4162.4-2.2112.9D230 A235D230-R233 PolarHBondContact O-N 3.46Å; R233-A235 VanDerWaalsContact C-N 3.35Å
234T53.9Low54.2Low99 Ų99120.2 Ų120.261%0.60764%0.641SS**Hα-helixtrans-71.2-31.4176.4-47.20000112.2D230 Q231D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 PolarHBondContact O-OG1 3.29Å; Q231-T234 PolarHBondContact O-N 3.03Å
235A55.2Low55.6Low43 Ų43119.7 Ų119.736%0.35563%0.629SS.*Hα-helixtrans-73.7-34.1178.100000113Q231 R232 R233 E237 F238 C239Q231-A235 WeakPolarHBondContact O-CB 3.4Å; Q231-A235 PolarHBondContact O-N 3.48Å; R232-A235 PolarHBondContact O-N 3.31Å; R233-A235 VanDerWaalsContact C-N 3.35Å; A235-E237 VanDerWaalsContact C-N 3.26Å; A235-E237 PolarHBondContact O-N 2.94Å; A235-F238 PolarHBondContact O-N 3.25Å; A235-F238 VanDerWaalsContact O-N 3.11Å; A235-C239 PolarHBondContact O-N 3.08Å
236D54.9Low56.9Low123 Ų123115.3 Ų115.366%0.65860%0.599SS**Hα-helixtrans-64.8-27.8178.8-78.2-20.9000112.8R232R232-D236 PolarHBondContact O-N 3.45Å; R232-D236 VanDerWaalsContact O-N 3.12Å
237E59.8Low58Low170 Ų170112.4 Ų112.479%0.79459%0.588SS**Hα-helixtrans-75.6-27.2174-67.1-172.7174.600112.9A235A235-E237 VanDerWaalsContact C-N 3.26Å; A235-E237 PolarHBondContact O-N 2.94Å
238F61.2Low59.1Low174 Ų174110.7 Ų110.776%0.76358%0.581SS**Hα-helixtrans-92.5-27.2-175-132.2-89.8000113.2A235A235-F238 PolarHBondContact O-N 3.25Å; A235-F238 VanDerWaalsContact O-N 3.11Å
239C69Low60Low18 Ų18107.3 Ų107.312%0.12257%0.571CS.*  trans-104.656.7-177.7-72.80000111.9A235 C246A235-C239 PolarHBondContact O-N 3.08Å; C239-C246 HydrophobicContact CB-CB 3.69Å; C239-C246 WeakPolarHBondContact CB-SG 3.41Å; C239-C246 WeakPolarHBondContact SG-CB 3.28Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.36Å
240S62.3Low60.9Low104 Ų104108.4 Ų108.473%0.72757%0.566SS**SBendtrans-68.6-55.1-179.856.80000113.3
241S58.8Low61.4Low118 Ų118107.4 Ų107.483%0.82557%0.567SS**SBendtrans-102.84.4-170.2-165.40000115.7
242W64.1Low61.9Low129 Ų129106.3 Ų106.349%0.48956%0.563SS.*  trans-14428.6-174.670.2-54000112.2S244 V245 C246W242-S244 PolarHBondContact O-N 2.79Å; W242-S244 VanDerWaalsContact O-N 3.11Å; W242-V245 HydrophobicContact CE3-CB 3.99Å; W242-V245 HydrophobicContact CE3-CG1 3.95Å; W242-V245 HydrophobicContact CZ3-CG1 4.22Å; W242-V245 PolarHBondContact O-N 3.44Å; W242-C246 HydrophobicContact CD2-CB 3.99Å; W242-C246 HydrophobicContact CE3-CB 4.2Å; W242-C246 HydrophobicContact CG-CB 4.5Å; W242-C246 HydrophobicContact CH2-CB 4.36Å; W242-C246 HydrophobicContact CZ2-CB 4.16Å; W242-C246 HydrophobicContact CZ3-CB 4.38Å; W242-C246 WeakPolarHBondContact O-CB 3.38Å; W242-C246 PolarHBondContact O-N 2.98Å
243A62.2Low62.4Low56 Ų56102.7 Ų102.746%0.46356%0.557SS.*Hα-helixtrans-53.3-34.6-174.500000113.5A247A243-A247 WeakPolarHBondContact O-CB 3.26Å; A243-A247 PolarHBondContact O-N 2.82Å
244S63.7Low62.2Low99 Ų9999.1 Ų99.169%0.69255%0.549SS*.Hα-helixtrans-67.1-38.6177.648.40000113.4W242 F248W242-S244 PolarHBondContact O-N 2.79Å; W242-S244 VanDerWaalsContact O-N 3.11Å; S244-F248 WeakPolarHBondContact O-CB 3.45Å; S244-F248 PolarHBondContact O-N 2.89Å
245V67.3Low61.9Low78 Ų7898.8 Ų98.847%0.47355%0.551SS.*Hα-helixtrans-79.7-39177.6-179.40000110.4W242 F248 F249W242-V245 HydrophobicContact CE3-CB 3.99Å; W242-V245 HydrophobicContact CE3-CG1 3.95Å; W242-V245 HydrophobicContact CZ3-CG1 4.22Å; W242-V245 PolarHBondContact O-N 3.44Å; V245-F248 PolarHBondContact O-N 3.26Å; V245-F249 WeakPolarHBondContact O-CB 3.5Å; V245-F249 PolarHBondContact O-N 3.42Å
246C70.2Confident61.3Low15 Ų15105.6 Ų105.610%0.10158%0.575CS.*Hα-helixtrans-63.9-42.8176.31780000111.8C239 W242 F249 M250C239-C246 HydrophobicContact CB-CB 3.69Å; C239-C246 WeakPolarHBondContact CB-SG 3.41Å; C239-C246 WeakPolarHBondContact SG-CB 3.28Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.36Å; W242-C246 HydrophobicContact CD2-CB 3.99Å; W242-C246 HydrophobicContact CE3-CB 4.2Å; W242-C246 HydrophobicContact CG-CB 4.5Å; W242-C246 HydrophobicContact CH2-CB 4.36Å; W242-C246 HydrophobicContact CZ2-CB 4.16Å; W242-C246 HydrophobicContact CZ3-CB 4.38Å; W242-C246 WeakPolarHBondContact O-CB 3.38Å; W242-C246 PolarHBondContact O-N 2.98Å; C246-F249 PolarHBondContact O-N 2.87Å; C246-M250 VanDerWaalsContact O-CB 3.29Å; C246-M250 WeakPolarHBondContact O-CB 3.48Å; C246-M250 VanDerWaalsContact O-CG 3.24Å; C246-M250 WeakPolarHBondContact O-CG 3.31Å; C246-M250 PolarHBondContact O-N 3.36Å
247A65.9Low60.7Low61 Ų61107.5 Ų107.550%0.50459%0.585SS.*Hα-helixtrans-66-41.6174.500000112.2A243 S251A243-A247 WeakPolarHBondContact O-CB 3.26Å; A243-A247 PolarHBondContact O-N 2.82Å; A247-S251 VanDerWaalsContact O-CB 3.28Å; A247-S251 WeakPolarHBondContact O-CB 3.4Å; A247-S251 PolarHBondContact O-N 3.04Å
248F69.6Low59.9Low140 Ų140107.7 Ų107.761%0.61460%0.604SS**Hα-helixtrans-61.6-45.6175.6-179.8-97.9000111.5S244 V245 S251 M252S244-F248 WeakPolarHBondContact O-CB 3.45Å; S244-F248 PolarHBondContact O-N 2.89Å; V245-F248 PolarHBondContact O-N 3.26Å; F248-S251 PolarHBondContact O-N 3.49Å; F248-M252 PolarHBondContact O-N 2.95Å
249F68.5Low59.8Low114 Ų114104.4 Ų104.450%0.560%0.596SS.*Hα-helixtrans-70.4-38.9-179.4-141.6-89.9000112.4V245 C246 S251 M252 L253V245-F249 WeakPolarHBondContact O-CB 3.5Å; V245-F249 PolarHBondContact O-N 3.42Å; C246-F249 PolarHBondContact O-N 2.87Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-M252 PolarHBondContact O-N 3.39Å; F249-L253 HydrophobicContact CD1-CD1 3.75Å; F249-L253 HydrophobicContact CD1-CG 4.18Å; F249-L253 HydrophobicContact CE1-CD1 4.12Å; F249-L253 HydrophobicContact CE1-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.32Å; F249-L253 VanDerWaalsContact O-CG 3.32Å; F249-L253 WeakPolarHBondContact O-CG 3.42Å; F249-L253 PolarHBondContact O-N 2.95Å
250M67.2Low59.3Low94 Ų94108.9 Ų108.946%0.46362%0.621SS.*Hα-helixtrans-67.5-33173.9-74-68116.700112.2C246 M252 L253 Q254C246-M250 VanDerWaalsContact O-CB 3.29Å; C246-M250 WeakPolarHBondContact O-CB 3.48Å; C246-M250 VanDerWaalsContact O-CG 3.24Å; C246-M250 WeakPolarHBondContact O-CG 3.31Å; C246-M250 PolarHBondContact O-N 3.36Å; M250-M252 VanDerWaalsContact C-N 3.34Å; M250-L253 HydrophobicContact CE-CD1 3.53Å; M250-L253 PolarHBondContact O-N 3.25Å; M250-Q254 WeakPolarHBondContact O-CB 3.13Å; M250-Q254 VanDerWaalsContact O-CG 3.27Å; M250-Q254 WeakPolarHBondContact O-CG 3.38Å; M250-Q254 PolarHBondContact O-N 3.48Å; M250-Q254 VanDerWaalsContact O-N 3.16Å
251S59.3Low59.1Low86 Ų86109.2 Ų109.260%0.60162%0.615SS**Hα-helixtrans-71.7-29.9172.9-160.10000112.2A247 F248 F249 Q254A247-S251 VanDerWaalsContact O-CB 3.28Å; A247-S251 WeakPolarHBondContact O-CB 3.4Å; A247-S251 PolarHBondContact O-N 3.04Å; F248-S251 PolarHBondContact O-N 3.49Å; F249-S251 VanDerWaalsContact C-N 3.33Å; S251-Q254 PolarHBondContact O-N 3.45Å
252M62.3Low59.2Low127 Ų127108.7 Ų108.763%0.62660%0.603SS**Hα-helixtrans-75.6-29.6174.3-150.4-165.6-163.100112.5F248 F249 M250 Q254F248-M252 PolarHBondContact O-N 2.95Å; F249-M252 PolarHBondContact O-N 3.39Å; M250-M252 VanDerWaalsContact C-N 3.34Å; M252-Q254 VanDerWaalsContact C-N 3.31Å
253L61.8Low58.9Low113 Ų113107.4 Ų107.459%0.59261%0.61SS**THydrogen-bonded Turntrans-82.9-5.9173.5-69.6170000113.5F249 M250F249-L253 HydrophobicContact CD1-CD1 3.75Å; F249-L253 HydrophobicContact CD1-CG 4.18Å; F249-L253 HydrophobicContact CE1-CD1 4.12Å; F249-L253 HydrophobicContact CE1-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.32Å; F249-L253 VanDerWaalsContact O-CG 3.32Å; F249-L253 WeakPolarHBondContact O-CG 3.42Å; F249-L253 PolarHBondContact O-N 2.95Å; M250-L253 HydrophobicContact CE-CD1 3.53Å; M250-L253 PolarHBondContact O-N 3.25Å
254Q49.2Very low58.6Low121 Ų121110.9 Ų110.957%0.56562%0.62SS**THydrogen-bonded Turntrans-102.416.3175.2-76.6-177.924.500113.3M250 S251 M252 E256M250-Q254 WeakPolarHBondContact O-CB 3.13Å; M250-Q254 VanDerWaalsContact O-CG 3.27Å; M250-Q254 WeakPolarHBondContact O-CG 3.38Å; M250-Q254 PolarHBondContact O-N 3.48Å; M250-Q254 VanDerWaalsContact O-N 3.16Å; S251-Q254 PolarHBondContact O-N 3.45Å; M252-Q254 VanDerWaalsContact C-N 3.31Å; Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 2.87Å
255S47.6Very low58.3Low92 Ų92111.7 Ų111.764%0.64361%0.614SS**  trans-80.392.7155.366.20000106.4
256E41.5Very low57.6Low185 Ų185114.3 Ų114.386%0.86463%0.625SS**  -163.5123.6125.3-59.1-144.9147.200105.2Q254Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 2.87Å
257D44.3Very low56.5Low163 Ų163122.6 Ų122.687%0.87267%0.669SS**  trans-53.4151.1169.4-66.8-65.2000109.8
258C41.2Very low55.7Low175 Ų175128.2 Ų128.2100%1.18268%0.684SS**  trans-56.90167.8-75.90000111.7

Retrieved 258 of 258 residues in 196.8 ms (Link to these results)