A0A3Q0KJC4_SCHMA Loading...

Zinc finger protein, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 384 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.3Very low27Very low231 Ų231149.9 Ų149.9100%1.13881%0.809SS**  0560-65.6-170.7-173.900107.3
2D25.8Very low27.4Very low133 Ų133155 Ų15571%0.71182%0.818SS**  75.2118.560.5-79.549.8000113.8
3F27.3Very low27.3Very low179 Ų179148.7 Ų148.779%0.78581%0.813SS**  trans56.6109.5163.3-63-80.6000118.1
4S25Very low27.6Very low95 Ų95150.6 Ų150.666%0.66482%0.817SS**  84.3124.573.6-69.60000113.9
5N29.9Very low27.7Very low168 Ų168149.9 Ų149.990%0.89881%0.81SS**  trans-171.2121.7133.5-96-29000112.4
6L27.3Very low27.8Very low156 Ų156147.6 Ų147.682%0.81781%0.809SS**  trans-75.8151.6150.9-100.970.4000108.1
7H29.8Very low28.1Very low184 Ų184146.6 Ų146.685%0.85281%0.808SS**  trans-150.7138.9141.7-142.7-88.4000114.1
8C23Very low28Very low99 Ų99143.6 Ų143.667%0.66981%0.806SS**  trans-72.4159.5169.2-60.10000111.2
9F25.7Very low28.2Very low201 Ų201142.1 Ų142.188%0.88281%0.806SS**  trans-126.6127.8164.9-118.9-88.1000110.7
10V26.2Very low28.1Very low143 Ų143141.2 Ų141.287%0.86781%0.809SS**  trans-143.4128.4176.9173.50000110
11G28.1Very low28.3Very low60 Ų60138.7 Ų138.762%0.61981%0.805SS**  trans85.6151.9170.600000115.7
12K31.4Very low28.3Very low211 Ų211135 Ų13592%0.91780%0.796SS**  cis-156.3160.1-6.3-60.6175.5-180168.90107.5
13G26.5Very low28.8Very low73 Ų73135.5 Ų135.575%0.75380%0.797SS**  cis129.7102.3-7.100000114
14M30.9Very low29Very low175 Ų175133.4 Ų133.486%0.86279%0.794SS**  trans-143.1114.3175.2-82.2-157.7169.600117.5
15I29.1Very low29.5Very low141 Ų141134 Ų13472%0.72379%0.794SS**  trans54.8109.9130.4-46.2160.5000120.8
16S30.5Very low30.1Very low112 Ų112131.9 Ų131.978%0.78378%0.783SS**  -158.9115.2118.4-22.20000114.2
17T31.6Very low30.8Very low131 Ų131128.9 Ų128.980%0.80477%0.771SS**  trans39.5109.4146.8560000124
18A26.7Very low31.4Very low93 Ų93124 Ų12477%0.76976%0.757SS**  66.9104.5127.300000122.6
19S31.2Very low32.3Very low114 Ų114125.1 Ų125.180%0.79775%0.753SS**  175130.598.7-74.20000114.8
20S27.5Very low33.2Very low125 Ų125122 Ų12287%0.87474%0.741SS**  trans42.496146.5-540000122
21A32.2Very low33.8Very low88 Ų88120.6 Ų120.673%0.72773%0.729SS**  trans-163.6114.9137.400000111.5I23A21-I23 PolarHBondContact O-N 3.1Å
22T29.5Very low34.4Very low154 Ų154121.1 Ų121.195%0.94572%0.722SS**  trans-77.1107.7171.312.50000110.3
23I35.3Very low35.1Very low144 Ų144116.9 Ų116.974%0.73870%0.704SS**  trans-112.5125.9172-60.3179.2000108.9A21 T25A21-I23 PolarHBondContact O-N 3.1Å; I23-T25 PolarHBondContact O-N 3.34Å
24N31.9Very low36.2Very low134 Ų134117.6 Ų117.672%0.71769%0.689SS**  trans-61114.3179.1-92.7-29.8000111.4N26N24-N26 VanDerWaalsContact C-N 3.27Å; N24-N26 PolarHBondContact O-N 3.49Å
25T36Very low36.6Very low108 Ų108111.1 Ų111.166%0.66367%0.668SS**THydrogen-bonded Turntrans-78.8-3.8178.446.90000114.4I23 T27 S28I23-T25 PolarHBondContact O-N 3.34Å; T25-T27 PolarHBondContact O-N 3.35Å; T25-S28 PolarHBondContact O-OG 2.91Å
26N41.1Very low37.5Very low123 Ų123110.3 Ų110.366%0.65866%0.661SS**Hα-helixtrans-79.7-14.1-172.1-72.2-10.1000115.1N24N24-N26 VanDerWaalsContact C-N 3.27Å; N24-N26 PolarHBondContact O-N 3.49Å
27T42.1Very low38Very low94 Ų94111 Ų11158%0.57765%0.651SS**Hα-helixtrans-81.7-39179.440.40000113T25 E29 Q30 D31T25-T27 PolarHBondContact O-N 3.35Å; T27-E29 VanDerWaalsContact C-N 3.32Å; T27-E29 PolarHBondContact O-N 2.81Å; T27-Q30 PolarHBondContact O-N 3.13Å; T27-D31 PolarHBondContact O-N 3.11Å
28S44.3Very low38.7Very low80 Ų80110.1 Ų110.156%0.55964%0.638SS**Hα-helixtrans-67.7-26.8-175.859.60000114.3T25 C32T25-S28 PolarHBondContact O-OG 2.91Å; S28-C32 WeakPolarHBondContact O-CB 3.47Å; S28-C32 PolarHBondContact O-N 3.06Å
29E41.5Very low39.5Very low123 Ų123112.8 Ų112.858%0.57563%0.629SS**Hα-helixtrans-74.5-31.7174.9-78.7-152.8167.200113.6T27 K33T27-E29 VanDerWaalsContact C-N 3.32Å; T27-E29 PolarHBondContact O-N 2.81Å; E29-K33 WeakPolarHBondContact O-CG 3.36Å; E29-K33 PolarHBondContact O-N 3.07Å; E29-K33 IonicContact OE2-NZ 3.84Å; E29-K33 PolarHBondContact OE2-NZ 3.41Å; E29-K33 VanDerWaalsContact OE2-NZ 3.15Å
30Q44.1Very low40Very low136 Ų136113.7 Ų113.764%0.63662%0.621SS**Hα-helixtrans-71.8-44.1178.9-71.2-166.5-29.200110.9T27 C32 K33 I34T27-Q30 PolarHBondContact O-N 3.13Å; Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 2.97Å; Q30-K33 PolarHBondContact O-N 2.99Å; Q30-I34 WeakPolarHBondContact O-CG1 3.35Å; Q30-I34 PolarHBondContact O-N 3.38Å
31D39.2Very low40.9Very low113 Ų113114 Ų11460%0.60461%0.609SS**Hα-helixtrans-61.8-38.5176.9-68.1-31.1000112.2T27 I34 G35T27-D31 PolarHBondContact O-N 3.11Å; D31-I34 PolarHBondContact O-N 3.22Å; D31-G35 PolarHBondContact O-N 2.88Å
32C40.8Very low41.5Very low72 Ų72115.8 Ų115.849%0.48660%0.602SS.*Hα-helixtrans-64.4-42175.8-169.10000112.5S28 Q30 G35 Q36S28-C32 WeakPolarHBondContact O-CB 3.47Å; S28-C32 PolarHBondContact O-N 3.06Å; Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 2.97Å; C32-G35 PolarHBondContact O-N 3.26Å; C32-Q36 WeakPolarHBondContact O-CG 3.45Å; C32-Q36 PolarHBondContact O-N 3.38Å; C32-Q36 VanDerWaalsContact O-N 3.13Å
33K45.9Very low42.1Very low121 Ų121112.1 Ų112.153%0.52657%0.574SS.*Hα-helixtrans-67.5-37.5177.8-74.7166.9-178.8156.70112.2E29 Q30 Q36 Q37E29-K33 WeakPolarHBondContact O-CG 3.36Å; E29-K33 PolarHBondContact O-N 3.07Å; E29-K33 IonicContact OE2-NZ 3.84Å; E29-K33 PolarHBondContact OE2-NZ 3.41Å; E29-K33 VanDerWaalsContact OE2-NZ 3.15Å; Q30-K33 PolarHBondContact O-N 2.99Å; K33-Q36 PolarHBondContact O-N 3.13Å; K33-Q37 PolarHBondContact O-N 3.32Å; K33-Q37 VanDerWaalsContact O-N 3.1Å
34I49.5Very low42.2Very low89 Ų89111 Ų11146%0.45657%0.569SS.*Hα-helixtrans-65.1-44175.4-66.9164.9000110.8Q30 D31 Q36 Q37 Q38Q30-I34 WeakPolarHBondContact O-CG1 3.35Å; Q30-I34 PolarHBondContact O-N 3.38Å; D31-I34 PolarHBondContact O-N 3.22Å; I34-Q36 PolarHBondContact O-N 2.89Å; I34-Q37 PolarHBondContact O-N 2.8Å; I34-Q38 WeakPolarHBondContact O-CG 3.29Å; I34-Q38 PolarHBondContact O-N 2.82Å
35G39.4Very low42.2Very low39 Ų39112.3 Ų112.340%0.40257%0.569SS.*Hα-helixtrans-60.4-40.617600000113.4D31 C32 Q38 Y39D31-G35 PolarHBondContact O-N 2.88Å; C32-G35 PolarHBondContact O-N 3.26Å; G35-Q38 PolarHBondContact O-N 3.45Å; G35-Y39 PolarHBondContact O-N 3.04Å; G35-Y39 VanDerWaalsContact O-N 3.09Å
36Q47.6Very low42.1Very low124 Ų124115.2 Ų115.258%0.57957%0.568SS**Hα-helixtrans-68.9-39177.5-71.5-177.61.400113.1C32 K33 I34 Y39 Q40C32-Q36 WeakPolarHBondContact O-CG 3.45Å; C32-Q36 PolarHBondContact O-N 3.38Å; C32-Q36 VanDerWaalsContact O-N 3.13Å; K33-Q36 PolarHBondContact O-N 3.13Å; I34-Q36 PolarHBondContact O-N 2.89Å; Q36-Y39 PolarHBondContact O-N 3.4Å; Q36-Q40 PolarHBondContact O-N 2.87Å
37Q42Very low41.6Very low125 Ų125117 Ų11758%0.58457%0.572SS**Hα-helixtrans-66.1-39.8174.8-78.3-172.1-15.500112.5K33 I34 Y39 Q40 Q41K33-Q37 PolarHBondContact O-N 3.32Å; K33-Q37 VanDerWaalsContact O-N 3.1Å; I34-Q37 PolarHBondContact O-N 2.8Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Q37-Y39 PolarHBondContact O-N 3.03Å; Q37-Q40 PolarHBondContact O-N 3.4Å; Q37-Q41 PolarHBondContact O-N 3.46Å
38Q45.4Very low40.9Very low113 Ų113119.2 Ų119.253%0.52858%0.58SS.*Hα-helixtrans-63-39.6174.6-72.3-177.33.800111.9I34 G35 Q41 Q42I34-Q38 WeakPolarHBondContact O-CG 3.29Å; I34-Q38 PolarHBondContact O-N 2.82Å; G35-Q38 PolarHBondContact O-N 3.45Å; Q38-Q41 PolarHBondContact O-N 3.18Å; Q38-Q42 WeakPolarHBondContact O-CG 3.46Å; Q38-Q42 PolarHBondContact O-N 3.4Å; Q38-Q42 VanDerWaalsContact O-N 3.08Å
39Y43.1Very low40.1Very low149 Ų149118.9 Ų118.958%0.58458%0.575SS**Hα-helixtrans-62.3-43.4174.6-174.6-103.7000112.2G35 Q36 Q37 Q42 Q43G35-Y39 PolarHBondContact O-N 3.04Å; G35-Y39 VanDerWaalsContact O-N 3.09Å; Q36-Y39 PolarHBondContact O-N 3.4Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Q37-Y39 PolarHBondContact O-N 3.03Å; Y39-Q42 PolarHBondContact O-N 3.43Å; Y39-Q43 HydrophobicContact CE1-CG 4.28Å; Y39-Q43 WeakPolarHBondContact O-CG 3.46Å; Y39-Q43 PolarHBondContact O-N 2.79Å; Y39-Q43 PolarHBondContact OH-NE2 3.34Å
40Q42.8Very low39.4Very low134 Ų134119.1 Ų119.163%0.62659%0.587SS**Hα-helixtrans-64.9-40.8176.9-74.6-177.4-12.100113Q36 Q37 Q42 Q43 L44Q36-Q40 PolarHBondContact O-N 2.87Å; Q37-Q40 PolarHBondContact O-N 3.4Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 3.16Å; Q40-Q43 PolarHBondContact O-N 2.66Å; Q40-L44 PolarHBondContact O-N 2.78Å
41Q44.7Very low38.6Very low131 Ų131122 Ų12261%0.61259%0.594SS**Hα-helixtrans-63.5-36.9175.2-70.9-175.325.400112.4Q37 Q38 Q43 L44 F45Q37-Q41 PolarHBondContact O-N 3.46Å; Q38-Q41 PolarHBondContact O-N 3.18Å; Q41-Q43 VanDerWaalsContact C-N 3.33Å; Q41-Q43 PolarHBondContact O-N 2.94Å; Q41-L44 PolarHBondContact O-N 2.84Å; Q41-F45 PolarHBondContact O-N 2.89Å
42Q45.3Very low37.8Very low126 Ų126122.6 Ų122.659%0.58960%0.597SS**Hα-helixtrans-66.2-31.9175.4-72.3177.126.200113.1Q38 Y39 Q40 R46Q38-Q42 WeakPolarHBondContact O-CG 3.46Å; Q38-Q42 PolarHBondContact O-N 3.4Å; Q38-Q42 VanDerWaalsContact O-N 3.08Å; Y39-Q42 PolarHBondContact O-N 3.43Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 3.16Å; Q42-R46 PolarHBondContact O-N 3.25Å
43Q42.6Very low37Very low77 Ų77128.6 Ų128.636%0.3662%0.615SS.*Hα-helixtrans-72.7-35.3175.8-64-63.5-7.200112.5Y39 Q40 Q41 F45 R46Y39-Q43 HydrophobicContact CE1-CG 4.28Å; Y39-Q43 WeakPolarHBondContact O-CG 3.46Å; Y39-Q43 PolarHBondContact O-N 2.79Å; Y39-Q43 PolarHBondContact OH-NE2 3.34Å; Q40-Q43 PolarHBondContact O-N 2.66Å; Q41-Q43 VanDerWaalsContact C-N 3.33Å; Q41-Q43 PolarHBondContact O-N 2.94Å; Q43-F45 VanDerWaalsContact C-N 3.32Å; Q43-F45 PolarHBondContact O-N 3.48Å; Q43-R46 PolarHBondContact O-N 3.04Å
44L36.2Very low35.8Very low119 Ų119126.6 Ų126.662%0.62362%0.616SS**Hα-helixtrans-64.7-36.4173.7-71.4167.7000112Q40 Q41 R46 Q47Q40-L44 PolarHBondContact O-N 2.78Å; Q41-L44 PolarHBondContact O-N 2.84Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å; L44-Q47 PolarHBondContact O-N 3.34Å
45F32.1Very low34.6Very low163 Ų163127.4 Ų127.472%0.71563%0.63SS**Hα-helixtrans-67.5-26175.3-117.3-83.9000113.7Q41 Q43 Q47Q41-F45 PolarHBondContact O-N 2.89Å; Q43-F45 VanDerWaalsContact C-N 3.32Å; Q43-F45 PolarHBondContact O-N 3.48Å; F45-Q47 PolarHBondContact O-N 3.24Å
46R33.9Very low34Very low169 Ų169137.7 Ų137.764%0.63866%0.656SS**THydrogen-bonded Turntrans-68.5-18.3177.5-77.7-171-178-111.5-0.1114.1Q42 Q43 L44Q42-R46 PolarHBondContact O-N 3.25Å; Q43-R46 PolarHBondContact O-N 3.04Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å
47Q32.3Very low32.8Very low160 Ų160137.5 Ų137.575%0.74866%0.659SS**THydrogen-bonded Turntrans-89-13.6-174.3-63.1-172.3-000114.1L44 F45L44-Q47 PolarHBondContact O-N 3.34Å; F45-Q47 PolarHBondContact O-N 3.24Å
48N26.6Very low31.9Very low140 Ų140142.4 Ų142.475%0.74967%0.673SS**SBendtrans-120.422.2-165.4-82.8-20.3000116.1
49T27.7Very low31Very low74 Ų74143.6 Ų143.645%0.45468%0.683SS.*  trans-132.8104.4173.260.60000112.6Y51T49-Y51 PolarHBondContact O-N 3.38Å
50P26.8Very low30.2Very low127 Ų127141 Ų14183%0.82569%0.692SS**  trans-73.5112.9171.329.5-31.7000109.9N52P50-N52 PolarHBondContact O-N 3.42Å; P50-N52 VanDerWaalsContact O-N 3.14Å
51Y26Very low29.5Very low198 Ų198140.4 Ų140.478%0.77670%0.697SS**  trans-72.2103.7174.2-83.1-97.2000110.3T49 F53T49-Y51 PolarHBondContact O-N 3.38Å; Y51-F53 HydrophobicContact CD1-CD2 4.3Å; Y51-F53 AromaticContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CE1-CE2 4.44Å
52N23Very low28.6Very low125 Ų125141.8 Ų141.867%0.66871%0.709SS**  trans-110.6104.3164.3-169.7-15.2000109.3P50 S54P50-N52 PolarHBondContact O-N 3.42Å; P50-N52 VanDerWaalsContact O-N 3.14Å; N52-S54 PolarHBondContact O-N 2.95Å; N52-S54 PolarHBondContact OD1-N 2.82Å; N52-S54 PolarHBondContact OD1-OG 3.11Å
53F23.9Very low27.9Very low197 Ų197143.4 Ų143.486%0.86472%0.72SS**  trans-83.462.1175.8-103.3-86000110.9Y51Y51-F53 HydrophobicContact CD1-CD2 4.3Å; Y51-F53 AromaticContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CD1-CE2 3.99Å; Y51-F53 HydrophobicContact CE1-CE2 4.44Å
54S21.9Very low27.3Very low80 Ų80148 Ų14856%0.55975%0.745SS**  trans-146.7145.5167.862.70000110.3N52N52-S54 PolarHBondContact O-N 2.95Å; N52-S54 PolarHBondContact OD1-N 2.82Å; N52-S54 PolarHBondContact OD1-OG 3.11Å
55S23.9Very low26.9Very low106 Ų106149.8 Ų149.874%0.74176%0.756SS**  trans67.877.5-177.2-1640000117.3
56W25.9Very low26.6Very low254 Ų254149.4 Ų149.496%0.96276%0.761SS**  trans-107.495149-8633000108.8
57D22.9Very low26.5Very low120 Ų120149.1 Ų149.164%0.64277%0.772SS**  trans-78.4136.8176.8-166.7-1.6000110.6N59D57-N59 PolarHBondContact O-N 3.25Å; D57-N59 VanDerWaalsContact O-N 3.11Å; D57-N59 PolarHBondContact OD1-ND2 3.49Å
58W23.7Very low26.3Very low229 Ų229148.8 Ų148.887%0.86778%0.775SS**THydrogen-bonded Turntrans-86.225.1-165.9-98.188.9000114.5
59N25Very low26.3Very low137 Ų137148.7 Ų148.773%0.73378%0.775SS**THydrogen-bonded Turntrans-11210.5-168.6-79.1-46.9000116.1D57 V61D57-N59 PolarHBondContact O-N 3.25Å; D57-N59 VanDerWaalsContact O-N 3.11Å; D57-N59 PolarHBondContact OD1-ND2 3.49Å; N59-V61 PolarHBondContact O-N 3.11Å
60A27.6Very low26.4Very low95 Ų95151.9 Ų151.979%0.78579%0.789SS**  trans-94.937.4-176.600000115.3
61V26.8Very low26.7Very low121 Ų121153.1 Ų153.173%0.73379%0.789SS**SBendtrans-119.544.6-179.5-165.80000111.8N59N59-V61 PolarHBondContact O-N 3.11Å
62N27.4Very low26.7Very low160 Ų160150.4 Ų150.486%0.85679%0.788SS**SBendtrans-149.414.1176.1-112.7-4.6000115.6
63I29.7Very low27.2Very low161 Ų161151.8 Ų151.883%0.82680%0.795SS**SBendtrans-130.689.9173.7-52.8176.8000108.1
64I30.9Very low27.3Very low173 Ų173148.9 Ų148.989%0.88779%0.789SS**SBendtrans174.840.4155.8-84.7148000107.5
65N27.9Very low27.8Very low157 Ų157151.8 Ų151.884%0.8480%0.803SS**SBendtrans-144.441.2172.2-153.242.4000112.7
66N25.9Very low27.9Very low154 Ų154154 Ų15482%0.82481%0.806SS**  trans-160.798.6161.1-101.1-20.7000107.9
67N30.6Very low28Very low164 Ų164145 Ų14588%0.87779%0.793SS**  trans177.798.9135.3-88.6-10000109.2
68N27.2Very low28.3Very low152 Ų152145.5 Ų145.581%0.81380%0.801SS**  trans-71.1164.9158.4-83.9-25.8000110.1
69N27.2Very low28.4Very low139 Ų139144.4 Ų144.474%0.74381%0.805SS**  trans76.596.7162.1-57.4-11.5000117.5
70N29.7Very low28.5Very low140 Ų140145.3 Ų145.375%0.74981%0.805SS**  153.4139.897.3-88.1-12.1000114.6
71N32.8Very low28.4Very low153 Ų153146.5 Ų146.582%0.81880%0.804SS**  trans90.4123.9153.4-63.4-8.5000121.3
72N27.4Very low28.4Very low142 Ų142147.8 Ų147.876%0.75981%0.805SS**  trans-76.3153.7176.2-55-46.2000111.9
73N32.2Very low28.2Very low154 Ų154146 Ų14682%0.82480%0.804SS**  178.8105107.4-87.8-23000114
74N26.5Very low27.9Very low136 Ų136146.7 Ų146.773%0.72780%0.801SS**  trans21.1116.2135.1-163.321.1000121.2
75V32.5Very low27.6Very low141 Ų141144.1 Ų144.186%0.85580%0.796SS**  trans-145.1140.7139.1-178.30000109.8
76N26.4Very low27.4Very low151 Ų151144.4 Ų144.481%0.80780%0.797SS**  trans-68.8145.4179.1-65.2-58.2000114
77G27Very low27.3Very low67 Ų67145.8 Ų145.869%0.69180%0.796SS**  trans-179.2109.8166.400000115.1
78T29Very low27.1Very low130 Ų130142.9 Ų142.980%0.79879%0.785SS**  trans40.6107.5158.948.10000118.9Q80T78-Q80 PolarHBondContact O-N 3.2Å
79Q26.2Very low27.1Very low206 Ų206144.7 Ų144.796%0.96379%0.789SS**  trans-6493.1163.9-66.3176.7-0.100111
80Q28.2Very low27.3Very low156 Ų156142.5 Ų142.573%0.72978%0.777SS**  trans-79144.2160.8-68-167.6-7.100109.7T78 I82T78-Q80 PolarHBondContact O-N 3.2Å; Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 2.83Å
81P25.6Very low27.4Very low119 Ų119141.1 Ų141.177%0.77377%0.77SS**  trans-71.690.1172.930.5-33.2000108.8C83P81-C83 PolarHBondContact O-N 2.85Å
82I25.3Very low27.4Very low148 Ų148137.4 Ų137.476%0.75975%0.753SS**  trans-58.3109.5166.9-61.9173.4000106.5Q80 K84Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 2.83Å; I82-K84 PolarHBondContact O-N 2.98Å
83C24Very low27.5Very low122 Ų122135.9 Ų135.982%0.82474%0.742SS**  trans-63.783.1173.9-730000109.8P81 P85P81-C83 PolarHBondContact O-N 2.85Å; C83-P85 WeakPolarHBondContact O-CD 3.32Å
84K23.5Very low27.5Very low177 Ų177134.2 Ų134.277%0.7773%0.728SS**  trans-53.6125.3171.9-71.3176.61781760108.5I82 L86I82-K84 PolarHBondContact O-N 2.98Å; K84-L86 PolarHBondContact O-N 3.3Å; K84-L86 VanDerWaalsContact O-N 3.12Å
85P24.7Very low27.6Very low119 Ų119134.1 Ų134.177%0.77372%0.724SS**  trans-58.8118.9171.3-22.433.4000109.5C83 F87C83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-F87 PolarHBondContact O-N 3.16Å
86L22.9Very low27.6Very low163 Ų163131 Ų13185%0.85370%0.702SS**SBendtrans-77.543.1-179.6-99.8170000112.8K84K84-L86 PolarHBondContact O-N 3.3Å; K84-L86 VanDerWaalsContact O-N 3.12Å
87F24.2Very low27.8Very low183 Ų183127.6 Ų127.680%0.80368%0.684SS**SBendtrans-147126.3170.7-70.7-72.6000110.7P85P85-F87 PolarHBondContact O-N 3.16Å
88P27Very low28Very low102 Ų102131.3 Ų131.366%0.66268%0.681SS**  trans-76.7129.3177.130.5-32.9000111N90P88-N90 HydrophobicContact CB-CB 4.5Å; P88-N90 PolarHBondContact O-N 3.04Å
89E27.2Very low28.1Very low190 Ų190130.5 Ų130.589%0.88867%0.671SS**THydrogen-bonded Turntrans-71.519.6-179.5-62.4175.7126.300114.1
90N31.1Very low28.5Very low94 Ų94127.8 Ų127.850%0.50366%0.656SS.*Hα-helixtrans-96.9-6.4-161.9-148.3-1.3000114.4P88 K94P88-N90 HydrophobicContact CB-CB 4.5Å; P88-N90 PolarHBondContact O-N 3.04Å; N90-K94 WeakPolarHBondContact O-CD 3.49Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.31Å
91D31.8Very low28.7Very low110 Ų110128.2 Ų128.259%0.58866%0.658SS**Hα-helixtrans-92.6-28.6-178.2-68.5-24.5000113.2K94 M95D91-K94 PolarHBondContact O-N 3.16Å; D91-K94 IonicContact OD1-NZ 3.85Å; D91-M95 PolarHBondContact O-N 2.72Å; D91-M95 VanDerWaalsContact O-N 3.16Å
92V31.8Very low28.8Very low76 Ų76128 Ų12846%0.46165%0.647SS.*Hα-helixtrans-68.4-41.9173.4-178.70000110.7K94 M95 I96V92-K94 PolarHBondContact O-N 3.34Å; V92-M95 PolarHBondContact O-N 2.85Å; V92-I96 HydrophobicContact CG1-CD1 4.02Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 2.74Å
93M30.8Very low28.9Very low109 Ų109126.2 Ų126.254%0.53764%0.639SS.*Hα-helixtrans-66.2-34.2175.8-92.1-65.2-163.500113.2I96 N97M93-I96 PolarHBondContact O-N 3.34Å; M93-N97 WeakPolarHBondContact O-CB 3.41Å; M93-N97 PolarHBondContact O-N 3.49Å
94K31.8Very low28.9Very low119 Ų119131.4 Ų131.452%0.51764%0.643SS.*Hα-helixtrans-66.5-41173.7-74.3170.7-169.4168.10112.2N90 D91 V92 I96 N97 F98N90-K94 WeakPolarHBondContact O-CD 3.49Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.31Å; D91-K94 PolarHBondContact O-N 3.16Å; D91-K94 IonicContact OD1-NZ 3.85Å; V92-K94 PolarHBondContact O-N 3.34Å; K94-I96 VanDerWaalsContact C-N 3.33Å; K94-I96 PolarHBondContact O-N 3.47Å; K94-N97 PolarHBondContact O-N 3.27Å; K94-F98 PolarHBondContact O-N 3.21Å
95M27.6Very low29.1Very low134 Ų134127.7 Ų127.766%0.6665%0.645SS**Hα-helixtrans-66.5-34.2175.4-168.6172.7-102.800112.2D91 V92 I99D91-M95 PolarHBondContact O-N 2.72Å; D91-M95 VanDerWaalsContact O-N 3.16Å; V92-M95 PolarHBondContact O-N 2.85Å; M95-I99 WeakPolarHBondContact O-CD1 3.38Å; M95-I99 WeakPolarHBondContact O-CG1 3.2Å
96I32.5Very low29.2Very low76 Ų76127.8 Ų127.839%0.3965%0.646SS.*Hα-helixtrans-71.5-38.1174.2-69.1168.7000111.9V92 M93 K94 I99 K100V92-I96 HydrophobicContact CG1-CD1 4.02Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 2.74Å; M93-I96 PolarHBondContact O-N 3.34Å; K94-I96 VanDerWaalsContact C-N 3.33Å; K94-I96 PolarHBondContact O-N 3.47Å; I96-I99 PolarHBondContact O-N 3.38Å; I96-K100 PolarHBondContact O-N 3.09Å
97N30.9Very low29.4Very low80 Ų80126 Ų12643%0.42864%0.642SS.*Hα-helixtrans-71.2-30.9178.3-78.6-18.1000113.1M93 K94 I99 K100M93-N97 WeakPolarHBondContact O-CB 3.41Å; M93-N97 PolarHBondContact O-N 3.49Å; K94-N97 PolarHBondContact O-N 3.27Å; N97-I99 PolarHBondContact O-N 3.03Å; N97-K100 PolarHBondContact O-N 2.85Å; N97-K100 VanDerWaalsContact O-N 3.13Å
98F32.1Very low29.4Very low144 Ų144125.4 Ų125.463%0.63264%0.644SS**Hα-helixtrans-61.2-35.7170.6-148.3-88.6000111.7K94 K100K94-F98 PolarHBondContact O-N 3.21Å; F98-K100 VanDerWaalsContact C-N 3.28Å; F98-K100 PolarHBondContact O-N 3.1Å
99I31.9Very low29.4Very low114 Ų114128.2 Ų128.259%0.58565%0.652SS**Hα-helixtrans-76.2-13.5178.2-63.1168.3000112.5M95 I96 N97M95-I99 WeakPolarHBondContact O-CD1 3.38Å; M95-I99 WeakPolarHBondContact O-CG1 3.2Å; I96-I99 PolarHBondContact O-N 3.38Å; N97-I99 PolarHBondContact O-N 3.03Å
100K33.8Very low29.4Very low148 Ų148126.7 Ų126.764%0.64365%0.649SS**Hα-helixtrans-90.7-13.3176.6-75.2-176.8176.6179.80114.2I96 N97 F98I96-K100 PolarHBondContact O-N 3.09Å; N97-K100 PolarHBondContact O-N 2.85Å; N97-K100 VanDerWaalsContact O-N 3.13Å; F98-K100 VanDerWaalsContact C-N 3.28Å; F98-K100 PolarHBondContact O-N 3.1Å
101Q32.1Very low29.2Very low165 Ų165127.3 Ų127.377%0.77166%0.659SS**Hα-helixtrans-90.7-20.4-176.8-69.3-178.1-4.600113.9N103Q101-N103 PolarHBondContact O-N 3.24Å
102E27.2Very low28.7Very low116 Ų116126 Ų12654%0.54266%0.663SS.*  trans-95.272.6174.4-66.4-172.9-176.900112.1
103N27.5Very low28.4Very low110 Ų110127.4 Ų127.459%0.58868%0.676SS**  trans-143.154.4167.5-76-77.2000112.2Q101Q101-N103 PolarHBondContact O-N 3.24Å
104Y25.5Very low28.2Very low230 Ų230132.1 Ų132.190%0.90269%0.694SS**  trans-149.6105.6164.3-91.8-72.2000112.9
105A25.9Very low27.8Very low100 Ų100130.6 Ų130.683%0.82670%0.699SS**  trans-171.2106.1149.300000109.3
106P28.7Very low27.8Very low120 Ų120131.6 Ų131.678%0.77970%0.701SS**  trans-95.3148.7175.935.7-31.7000112.6
107T26.7Very low27.6Very low127 Ų127134.9 Ų134.978%0.77972%0.715SS**  trans-136.7130.6159.147.70000105.8
108M23.6Very low27.3Very low170 Ų170136.9 Ų136.984%0.83773%0.726SS**  cis-134.6158.128.9-57.5-78-167.900111.9
109I27.8Very low27.1Very low161 Ų161136.4 Ų136.483%0.82673%0.73SS**  -172.1129126.5-91.7149.5000107
110N26.1Very low27Very low157 Ų157139 Ų13984%0.8475%0.745SS**  trans-97.8137.4162.9-135.80.8000105.7
111P27.3Very low26.6Very low108 Ų108141.2 Ų141.270%0.70175%0.754SS**  -149.5157.297.938.1-21.7000116.4
112A21.9Very low26.5Very low83 Ų83142.1 Ų142.169%0.68676%0.759SS**  trans31135.7144.500000122.5
113S24.1Very low26.4Very low104 Ų104147.5 Ų147.573%0.72777%0.774SS**  trans60.4110.1151.252.20000119
114F28.1Very low26.3Very low208 Ų208151.6 Ų151.691%0.91279%0.787SS**  -166.6158.9100.9-117.4-91.5000111.4
115S22.9Very low26.3Very low88 Ų88147.5 Ų147.562%0.61579%0.785SS**  trans-111.5172.9-174.1460000113
116H28.1Very low26.3Very low154 Ų154153.1 Ų153.171%0.71379%0.785SS**  trans91.4103.9167-77-92.7000120.7
117E27.6Very low26.2Very low145 Ų145155.3 Ų155.368%0.67879%0.785SS**  73.2113.4116.4-71.1-169.4128.500124.4
118N25.5Very low26.2Very low123 Ų123155.7 Ų155.766%0.65879%0.787SS**  76.3134118.7-70.8-25.7000123.7
119N25.8Very low26.4Very low133 Ų133155 Ų15571%0.71178%0.782SS**  trans71.697.9147.1-62.7-24.5000120
120N30Very low26.4Very low169 Ų169150.7 Ų150.790%0.90476%0.764SS**  -155.6125.9100.6-110.3-34.6000113.3
121K26.7Very low26.5Very low195 Ų195146.8 Ų146.885%0.84875%0.749SS**  trans-97.3118.5170.1-75.5177178.4172.10109.2
122Q30.4Very low26.7Very low184 Ų184145.7 Ų145.786%0.8674%0.737SS**  trans-162.1120.9138.9-113.6172.77400113.3
123R24.4Very low27.1Very low228 Ų228147.8 Ų147.886%0.8674%0.737SS**  trans36.990.2155-71.9179.2162.3175.8-5.7118.5
124F26Very low27.4Very low197 Ų197148.7 Ų148.786%0.86473%0.728SS**  -138.1118.5129.3-101.3-83.2000108.9R126F124-R126 PolarHBondContact O-N 3.01Å; F124-R126 VanDerWaalsContact O-N 3.1Å
125V24.2Very low27.5Very low143 Ų143143.8 Ų143.887%0.86771%0.71SS**  trans-76.196.2169179.50000106.7
126R25.8Very low28Very low218 Ų218146.2 Ų146.282%0.82372%0.715SS**  trans-99.7115.8162.7-79.6-173.2175.1178.1-0.3107.9F124 T128F124-R126 PolarHBondContact O-N 3.01Å; F124-R126 VanDerWaalsContact O-N 3.1Å; R126-T128 PolarHBondContact O-N 3.42Å
127E26.5Very low28Very low167 Ų167146.4 Ų146.478%0.7872%0.716SS**  trans-58.8118.4172.8-62.9174.5152.900109.3Q129E127-Q129 PolarHBondContact O-N 3.41Å
128T27Very low27.8Very low134 Ų134145.4 Ų145.482%0.82271%0.713SS**  trans-73.697.417448.20000108.9R126R126-T128 PolarHBondContact O-N 3.42Å
129Q28.1Very low27.9Very low157 Ų157143.2 Ų143.273%0.73472%0.72SS**PPolyproline II helixtrans-59.4127.5165-74.2-67.4-46.500108.8E127E127-Q129 PolarHBondContact O-N 3.41Å
130P28.2Very low27.9Very low69 Ų69145.6 Ų145.645%0.44872%0.72SS.*PPolyproline II helixtrans-68.7149.2-179.127.9-33.4000111K134P130-K134 HydrophobicContact CB-CB 4.49Å
131S28.4Very low28Very low75 Ų75143 Ų14352%0.52471%0.712SS.*PPolyproline II helixtrans-56.2145.7177.549.70000112D133 K134S131-D133 PolarHBondContact O-N 3.07Å; S131-K134 WeakPolarHBondContact O-CB 3.48Å; S131-K134 PolarHBondContact O-N 3.14Å
132L31.6Very low28Very low85 Ų85139.5 Ų139.545%0.44570%0.703SS.*Hα-helixtrans-51-35.7-176.4-171.871.4000113.1K134 L135L132-K134 PolarHBondContact O-N 2.81Å; L132-L135 PolarHBondContact O-N 3.01Å; L132-L135 VanDerWaalsContact O-N 3.16Å
133D29Very low27.8Very low128 Ų128139 Ų13968%0.68470%0.7SS**Hα-helixtrans-61.6-27.7178.4-56.9-58.5000113.3S131S131-D133 PolarHBondContact O-N 3.07Å
134K31.9Very low27.8Very low122 Ų122136.7 Ų136.753%0.5370%0.699SS.*Hα-helixtrans-83.4-20.7178.3-131170.1-172.4173.90113.6P130 S131 L132 I136P130-K134 HydrophobicContact CB-CB 4.49Å; S131-K134 WeakPolarHBondContact O-CB 3.48Å; S131-K134 PolarHBondContact O-N 3.14Å; L132-K134 PolarHBondContact O-N 2.81Å; K134-I136 VanDerWaalsContact C-N 3.27Å
135L29.5Very low27.8Very low105 Ų105132.2 Ų132.255%0.5569%0.691SS.*Hα-helixtrans-76.7-14.5172.9-70.8169.6000112.8L132L132-L135 PolarHBondContact O-N 3.01Å; L132-L135 VanDerWaalsContact O-N 3.16Å
136I32.6Very low27.9Very low139 Ų139130.1 Ų130.171%0.71368%0.68SS**THydrogen-bonded Turntrans-87.3-18.2176.8-64173000111.5K134K134-I136 VanDerWaalsContact C-N 3.27Å
137E28.9Very low27.9Very low158 Ų158128.4 Ų128.474%0.73868%0.675SS**THydrogen-bonded Turntrans-90.6-25-177.2-162.5170.3-149.300113.4G139E137-G139 PolarHBondContact O-N 2.77Å
138M23.6Very low27.9Very low124 Ų124125.2 Ų125.261%0.61167%0.669SS**  trans-88.185.1-178-66.3-171.770.800112.7Y140M138-Y140 VanDerWaalsContact C-N 3.33Å; M138-Y140 HydrophobicContact CB-CD2 4.34Å; M138-Y140 HydrophobicContact CE-CD2 4.31Å; M138-Y140 HydrophobicContact CE-CE2 3.88Å; M138-Y140 PolarHBondContact O-N 3.46Å
139G27.4Very low28Very low77 Ų77123.7 Ų123.779%0.79466%0.656SS**  trans-66.975.7178.500000115.2E137 P141E137-G139 PolarHBondContact O-N 2.77Å; G139-P141 WeakPolarHBondContact O-CD 3.44Å
140Y25.5Very low28Very low183 Ų183122.3 Ų122.372%0.71865%0.653SS**  trans-100.8118.2176.5-90.9-85000113.8M138M138-Y140 VanDerWaalsContact C-N 3.33Å; M138-Y140 HydrophobicContact CB-CD2 4.34Å; M138-Y140 HydrophobicContact CE-CD2 4.31Å; M138-Y140 HydrophobicContact CE-CE2 3.88Å; M138-Y140 PolarHBondContact O-N 3.46Å
141P32.2Very low27.9Very low114 Ų114124.7 Ų124.774%0.7466%0.658SS**  trans-84118.9155.632.2-26.2000108.8G139G139-P141 WeakPolarHBondContact O-CD 3.44Å
142N27.1Very low27.9Very low122 Ų122126.8 Ų126.865%0.65266%0.663SS**  trans-152.3120.2159.9-123-23.1000116H144N142-H144 PolarHBondContact O-N 3.39Å
143Q26.8Very low27.8Very low173 Ų173129.6 Ų129.681%0.80867%0.673SS**SBendtrans12.471.9132.1-53.1176.89.100117.9
144H23.9Very low27.7Very low180 Ų180128.4 Ų128.483%0.83368%0.675SS**  trans-177.5120136.1-108.1-86.2000107N142 P146N142-H144 PolarHBondContact O-N 3.39Å; H144-P146 WeakPolarHBondContact O-CD 3.43Å
145C25.4Very low27.5Very low104 Ų104128.5 Ų128.570%0.70368%0.677SS**  trans-111.596.4178.8-173.20000110Y147C145-Y147 PolarHBondContact O-N 3.23Å
146P26.1Very low27.3Very low98 Ų98129 Ų12964%0.63668%0.675SS**  trans-100.742.3-170.940.5-36.2000113H144H144-P146 WeakPolarHBondContact O-CD 3.43Å
147Y26Very low27Very low182 Ų182131.7 Ų131.771%0.71469%0.685SS**SBendtrans-134.4143.5172.7-72.1-72.8000113.9C145C145-Y147 PolarHBondContact O-N 3.23Å
148P26.9Very low26.9Very low101 Ų101129.3 Ų129.366%0.65667%0.672SS**  trans-73.2133.4177.3-12.529000111.2D150P148-D150 PolarHBondContact O-N 2.98Å
149L28.8Very low26.9Very low102 Ų102128.4 Ų128.453%0.53467%0.67SS.*THydrogen-bonded Turntrans-84.813.9-172-129.790.2000114.5H151L149-H151 PolarHBondContact O-N 3.41Å
150D27.8Very low26.9Very low128 Ų128131.3 Ų131.368%0.68466%0.662SS**THydrogen-bonded Turntrans-87.9-2.1-166.2-65.7-19.8000114.5P148P148-D150 PolarHBondContact O-N 2.98Å
151H27Very low26.9Very low118 Ų118127 Ų12755%0.54666%0.659SS.*SBendtrans-112.5-10.2-170.3-148.961000116.6L149 H153L149-H151 PolarHBondContact O-N 3.41Å; H151-H153 PolarHBondContact O-N 3.5Å
152L27.2Very low26.9Very low119 Ų119128.1 Ų128.162%0.62365%0.649SS**THydrogen-bonded Turntrans-77.8-20.4-168.1-161.761.3000115F156L152-F156 HydrophobicContact CD1-CE2 3.98Å; L152-F156 HydrophobicContact CG-CE2 4.32Å; L152-F156 VanDerWaalsContact O-CD2 3.27Å; L152-F156 WeakPolarHBondContact O-CD2 3.37Å
153H30Very low26.8Very low145 Ų145125.4 Ų125.467%0.67164%0.639SS**THydrogen-bonded Turntrans-88-9.7-179.9-90.899.1000114.8H151H151-H153 PolarHBondContact O-N 3.5Å
154S27.4Very low27Very low102 Ų102118.9 Ų118.971%0.71361%0.611SS**SBendtrans-90.3-12.9-175.1-167.50000115.1
155Q27.2Very low27.1Very low125 Ų125112.3 Ų112.358%0.58459%0.585SS**SBendtrans-110.9-0.9-178.2-69-169.22.200114.1Q157Q155-Q157 VanDerWaalsContact C-N 3.26Å; Q155-Q157 PolarHBondContact O-N 2.87Å
156F25.2Very low27.4Very low115 Ų115111.5 Ų111.550%0.50458%0.577SS.*  trans-84.168.3175.3-81.9-108.7000111.1L152 F158L152-F156 HydrophobicContact CD1-CE2 3.98Å; L152-F156 HydrophobicContact CG-CE2 4.32Å; L152-F156 VanDerWaalsContact O-CD2 3.27Å; L152-F156 WeakPolarHBondContact O-CD2 3.37Å; F156-F158 HydrophobicContact CB-CD2 4.27Å; F156-F158 HydrophobicContact CD1-CB 4.43Å; F156-F158 AromaticContact CD1-CD2 3.17Å; F156-F158 HydrophobicContact CD1-CD2 3.17Å; F156-F158 AromaticContact CD1-CE2 3.55Å; F156-F158 HydrophobicContact CD1-CE2 3.55Å; F156-F158 AromaticContact CD1-CG 3.95Å; F156-F158 HydrophobicContact CD1-CG 3.95Å; F156-F158 AromaticContact CE1-CD2 3.69Å; F156-F158 HydrophobicContact CE1-CD2 3.69Å; F156-F158 AromaticContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CZ 4.36Å; F156-F158 AromaticContact CG-CD2 3.99Å; F156-F158 HydrophobicContact CG-CD2 3.99Å; F156-F158 PolarHBondContact O-N 2.95Å
157Q26.5Very low27.4Very low195 Ų195112 Ų11291%0.91158%0.579SS**  trans-67.468.1150.2-79.1-173.6-2100108.5Q155 N159Q155-Q157 VanDerWaalsContact C-N 3.26Å; Q155-Q157 PolarHBondContact O-N 2.87Å; Q157-N159 PolarHBondContact O-N 3.18Å
158F26.9Very low27.5Very low109 Ų109106.9 Ų106.948%0.47857%0.567SS.*  trans-86.8110.5179-114.2-98.6000110.2F156 Q160 Y339F156-F158 HydrophobicContact CB-CD2 4.27Å; F156-F158 HydrophobicContact CD1-CB 4.43Å; F156-F158 AromaticContact CD1-CD2 3.17Å; F156-F158 HydrophobicContact CD1-CD2 3.17Å; F156-F158 AromaticContact CD1-CE2 3.55Å; F156-F158 HydrophobicContact CD1-CE2 3.55Å; F156-F158 AromaticContact CD1-CG 3.95Å; F156-F158 HydrophobicContact CD1-CG 3.95Å; F156-F158 AromaticContact CE1-CD2 3.69Å; F156-F158 HydrophobicContact CE1-CD2 3.69Å; F156-F158 AromaticContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CE2 3.53Å; F156-F158 HydrophobicContact CE1-CZ 4.36Å; F156-F158 AromaticContact CG-CD2 3.99Å; F156-F158 HydrophobicContact CG-CD2 3.99Å; F156-F158 PolarHBondContact O-N 2.95Å; F158-Q160 PolarHBondContact O-N 3.42Å; F158-Y339 HydrophobicContact CE1-CD2 4.36Å; F158-Y339 AromaticContact CE1-CE2 3.58Å; F158-Y339 HydrophobicContact CE1-CE2 3.58Å; F158-Y339 AromaticContact CZ-CE2 3.58Å; F158-Y339 HydrophobicContact CZ-CE2 3.58Å; F158-Y339 AromaticContact CZ-CZ 3.89Å
159N24Very low27.4Very low104 Ų104113.4 Ų113.456%0.55658%0.578SS**  trans-37.3134.4169.1-87.3-49.2000112.1Q157 S161Q157-N159 PolarHBondContact O-N 3.18Å; N159-S161 PolarHBondContact O-N 2.82Å; N159-S161 PolarHBondContact O-OG 3.48Å
160Q26.6Very low27.2Very low138 Ų138116 Ų11665%0.64558%0.582SS**SBendtrans-42.499.1-177.7-59.6171.214.300112.1F158 D245F158-Q160 PolarHBondContact O-N 3.42Å; Q160-D245 PolarHBondContact NE2-OD1 3.36Å
161S25.7Very low27Very low92 Ų92119 Ų11964%0.64359%0.589SS**  trans-146.566.1177.742.60000111.5N159N159-S161 PolarHBondContact O-N 2.82Å; N159-S161 PolarHBondContact O-OG 3.48Å
162R31.9Very low26.9Very low139 Ų139120 Ų12053%0.52559%0.594SS.*  trans31.394154.2-146.8175.8-162-173.54.5116.8P164 V231 I232R162-P164 HydrophobicContact CG-CG 4.39Å; R162-V231 PolarHBondContact NE-O 2.93Å; R162-V231 PolarHBondContact NH2-O 3.45Å; R162-I232 PolarHBondContact NH2-O 3.42Å
163C26Very low26.8Very low65 Ų65118.9 Ų118.944%0.43959%0.593SS.*  trans-125.292169.7-138.50000112.3S165 C335 R338C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.22Å; C163-C335 VanDerWaalsContact SG-SG 3.62Å; C163-R338 PolarHBondContact SG-NH1 2.94Å
164P30Very low26.5Very low36 Ų36118.3 Ų118.323%0.23460%0.6CS.*  trans-84.69.9-172.2-17.335.5000116.1R162 K217 I232R162-P164 HydrophobicContact CG-CG 4.39Å; P164-K217 PolarHBondContact O-NZ 2.9Å; P164-I232 HydrophobicContact CB-CD1 3.53Å; P164-I232 HydrophobicContact CB-CG1 4.04Å; P164-I232 HydrophobicContact CB-CG2 4.22Å; P164-I232 HydrophobicContact CG-CD1 3.51Å; P164-I232 HydrophobicContact CG-CG1 4.31Å; P164-I232 HydrophobicContact CG-CG2 4.06Å
165S27.1Very low26.4Very low42 Ų42119.1 Ų119.129%0.29460%0.601SS.*  trans-117.340.6-149-52.90000115.6C163 R338C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.22Å; S165-R338 PolarHBondContact OG-NH1 3.45Å; S165-R338 PolarHBondContact OG-NH2 3.07Å
166T30.4Very low26.4Very low87 Ų87122 Ų12253%0.53461%0.606SS.*  trans-138.162.3163.647.90000111.6T168T166-T168 PolarHBondContact O-N 3.48Å
167T27.1Very low26.4Very low108 Ų108124.1 Ų124.166%0.66362%0.623SS**  trans-80.561158.6-42.60000108.7R169 K217T167-R169 PolarHBondContact O-N 2.8Å; T167-K217 PolarHBondContact OG1-NZ 3.42Å; T167-K217 VanDerWaalsContact OG1-NZ 3.11Å
168T27.7Very low26.4Very low75 Ų75121.4 Ų121.446%0.4661%0.61SS.*  trans-61.4126.4170.945.70000108.1T166 Y170 W307T166-T168 PolarHBondContact O-N 3.48Å; T168-Y170 VanDerWaalsContact C-N 3.28Å; T168-Y170 PolarHBondContact O-N 2.9Å; T168-W307 HydrophobicContact CG2-CH2 4.26Å
169R24.7Very low26.4Very low237 Ų237125 Ų12589%0.89463%0.629SS**  trans-6283.1-175.3-172.4-170.8-69179.6-0.9111T167 K171T167-R169 PolarHBondContact O-N 2.8Å; R169-K171 PolarHBondContact O-N 3.47Å
170Y24.6Very low26.5Very low157 Ų157127.5 Ų127.562%0.61664%0.642SS**  trans-76113.1173-153.2-97000107.9T168 E172T168-Y170 VanDerWaalsContact C-N 3.28Å; T168-Y170 PolarHBondContact O-N 2.9Å; Y170-E172 HydrophobicContact CD1-CG 4.07Å; Y170-E172 PolarHBondContact O-N 2.85Å
171K24.3Very low26.7Very low190 Ų190127 Ų12783%0.82665%0.65SS**  trans-74.9108.7155.5-77.9-174.2174.4-175.40105.3R169 P173R169-K171 PolarHBondContact O-N 3.47Å; K171-P173 WeakPolarHBondContact O-CD 3Å
172E24.5Very low26.7Very low141 Ų141129 Ų12966%0.65966%0.658SS**  trans-58.2125.3167-70.4169.6138.900107.8Y170 T174Y170-E172 HydrophobicContact CD1-CG 4.07Å; Y170-E172 PolarHBondContact O-N 2.85Å; E172-T174 PolarHBondContact O-N 3.3Å
173P24.4Very low26.2Very low94 Ų94132.4 Ų132.461%0.6167%0.673SS**  trans-62.6121.3155.3-10.626.7000106K171 V175K171-P173 WeakPolarHBondContact O-CD 3Å; P173-V175 PolarHBondContact O-N 3.35Å
174T24.1Very low26.3Very low133 Ų133135 Ų13582%0.81669%0.692SS**  trans-67.487.7168.746.80000108.1E172 R176E172-T174 PolarHBondContact O-N 3.3Å; T174-R176 PolarHBondContact O-N 2.9Å
175V26.1Very low26.1Very low119 Ų119141.2 Ų141.272%0.72172%0.718SS**  trans-6990.8164.3-178.50000106.2P173P173-V175 PolarHBondContact O-N 3.35Å
176R26.6Very low26.2Very low187 Ų187146 Ų14671%0.70675%0.745SS**  trans-64.2136.3152.3-73.5-169.8177.6-176.6-0.6106.9T174 E178T174-R176 PolarHBondContact O-N 2.9Å; R176-E178 HydrophobicContact CB-CG 4.22Å; R176-E178 WeakPolarHBondContact CD-OE1 3.42Å; R176-E178 IonicContact CZ-OE1 3.84Å; R176-E178 IonicContact NE-OE1 3.58Å; R176-E178 IonicContact NH1-OE1 2.89Å; R176-E178 PolarHBondContact NH1-OE1 3.12Å; R176-E178 PolarHBondContact O-N 3.47Å
177N24.5Very low25.9Very low159 Ų159149.1 Ų149.185%0.8576%0.759SS**  trans-73.787.8161-61.4-25.8000106.3
178E26.8Very low26.1Very low137 Ų137152.2 Ų152.264%0.6477%0.771SS**  trans-111.7142.5161.7-75170.6-159.100106.5R176R176-E178 HydrophobicContact CB-CG 4.22Å; R176-E178 WeakPolarHBondContact CD-OE1 3.42Å; R176-E178 IonicContact CZ-OE1 3.84Å; R176-E178 IonicContact NE-OE1 3.58Å; R176-E178 IonicContact NH1-OE1 2.89Å; R176-E178 PolarHBondContact NH1-OE1 3.12Å; R176-E178 PolarHBondContact O-N 3.47Å
179E27.7Very low26.1Very low186 Ų186157.9 Ų157.987%0.86979%0.789SS**  trans-81.9172.4-151.5-63169.2147.300113.3P181E179-P181 WeakPolarHBondContact O-CD 3.41Å
180N25.1Very low26.4Very low156 Ų156152.2 Ų152.283%0.83479%0.786SS**  trans-53.8131.3178.5-60.9-65.1000112
181P30.6Very low26.5Very low126 Ų126149.8 Ų149.882%0.81879%0.792SS**  trans-97.4108.2156.115.62.7000109.5E179E179-P181 WeakPolarHBondContact O-CD 3.41Å
182V26.2Very low27.1Very low135 Ų135148.6 Ų148.682%0.81879%0.793SS**  trans-78.6141.1159.1172.30000108
183Y22.3Very low27.5Very low211 Ų211150.8 Ų150.883%0.82780%0.803SS**  trans-61.1133.2176.8-101.4-101.6000112.8
184S27.3Very low27.7Very low119 Ų119155.4 Ų155.483%0.83282%0.816SS**  -169.9150.5125.146.50000110.9
185E25.5Very low28Very low167 Ų167155.6 Ų155.678%0.7881%0.812SS**  trans-84.8154.7-172.4-61159.2153.600112
186T30.1Very low28.4Very low142 Ų142156.2 Ų156.287%0.87182%0.819SS**  -174.3147.4123190000111.3
187D24.9Very low28.5Very low153 Ų153151.8 Ų151.882%0.81882%0.817SS**  trans-70.9145.4-176.2-54.6-84.1000113.5
188N30.2Very low28.8Very low172 Ų172149.2 Ų149.292%0.9281%0.811SS**  trans-153.3145.6130.3-115.5-45.4000114.4
189K27.2Very low29.1Very low195 Ų195151.5 Ų151.585%0.84883%0.827SS**  trans-99.9119.5-164.7173.5-174.5-179.11800110.7
190S30.9Very low29.3Very low117 Ų117149.1 Ų149.182%0.81882%0.82SS**  trans-149.6124.6162-170.60000111.5
191S27.9Very low29.8Very low107 Ų107151.2 Ų151.275%0.74882%0.822SS**  trans-75.8129.4-178-51.40000111.8
192I35.9Very low29.8Very low164 Ų164151.8 Ų151.884%0.84182%0.818SS**  trans-128.5135.7149.1-61.6-176.6000107.1
193Q34.1Very low30.4Very low187 Ų187150.8 Ų150.887%0.87482%0.817SS**  trans-75.6135-171.9-67156.2-45.500110.8
194E27.2Very low31.1Very low191 Ų191146.3 Ų146.389%0.89381%0.807SS**  trans-87.4110.5170.6-66.8-169.216200110.2P196E194-P196 WeakPolarHBondContact O-CD 3.4Å
195D31.8Very low31.5Very low137 Ų137145.3 Ų145.373%0.73380%0.799SS**  trans-83.1117.9164.7-101.4-37.6000110S197D195-S197 PolarHBondContact O-N 2.77Å
196P33.4Very low32.3Very low133 Ų133145.8 Ų145.886%0.86480%0.799SS**SBendtrans-81.355.7-179.234-36.1000112.2E194E194-P196 WeakPolarHBondContact O-CD 3.4Å
197S28.7Very low33.1Very low93 Ų93142.8 Ų142.865%0.6578%0.783SS**  trans-142.332.1-171.163.50000115.4D195D195-S197 PolarHBondContact O-N 2.77Å
198S30.7Very low34.5Very low105 Ų105143.6 Ų143.673%0.73478%0.782SS**  trans-146.71216953.20000117.5N200S198-N200 VanDerWaalsContact C-N 3.29Å; S198-N200 PolarHBondContact O-N 3.38Å
199L34.1Very low36.8Very low186 Ų186141.9 Ų141.997%0.97477%0.767SS**  trans-87.650.6170.5-81.8168.9000113.6
200N30.5Very low39.8Very low135 Ų135136.8 Ų136.872%0.72275%0.745SS**  trans-145.855.2164.7-161.11.8000113.1S198 N202S198-N200 VanDerWaalsContact C-N 3.29Å; S198-N200 PolarHBondContact O-N 3.38Å; N200-N202 VanDerWaalsContact C-N 3.31Å; N200-N202 PolarHBondContact O-N 2.74Å
201K36.1Very low42.7Very low201 Ų201133.7 Ų133.787%0.87473%0.726SS**  trans-72.693.8158.5-81.8-175.1178.1173.90108.9S203K201-S203 PolarHBondContact O-N 2.96Å
202N31.6Very low45.7Very low137 Ų137129.1 Ų129.173%0.73369%0.694SS**  trans-20.895166.3-99.9-26.1000113.7N200 N204N200-N202 VanDerWaalsContact C-N 3.31Å; N200-N202 PolarHBondContact O-N 2.74Å; N202-N204 PolarHBondContact O-N 2.92Å
203S37.6Very low48.3Very low115 Ų115130.1 Ų130.180%0.80470%0.695SS**  trans-95.248.7156510000109.5K201 C205K201-S203 PolarHBondContact O-N 2.96Å; S203-C205 PolarHBondContact O-N 2.86Å
204N37.1Very low50.9Low117 Ų117127 Ų12763%0.62668%0.68SS**  trans-71.252.1164-171.216.8000110.5N202 K206N202-N204 PolarHBondContact O-N 2.92Å; N204-K206 PolarHBondContact O-N 3.28Å
205C35.4Very low53.8Low97 Ų97120 Ų12066%0.65565%0.652SS**  trans-71.890.6157.8-174.10000106.1S203 S207S203-C205 PolarHBondContact O-N 2.86Å; C205-S207 PolarHBondContact O-N 3.33Å
206K43.7Very low56.5Low177 Ų177122.6 Ų122.677%0.7766%0.66SS**  trans-57.577.6152.1-80.2-178.7178.1179.60107.3N204 E208N204-K206 PolarHBondContact O-N 3.28Å; K206-E208 PolarHBondContact O-N 2.79Å
207S46Very low59.1Low79 Ų79119.1 Ų119.155%0.55263%0.631SS**  trans-71.389172.539.30000106.4C205 K209C205-S207 PolarHBondContact O-N 3.33Å; S207-K209 PolarHBondContact O-N 2.82Å
208E54.2Low62.2Low171 Ų171121.6 Ų121.680%0.79963%0.63SS**  trans-54.8103.8168.3-72.3-170.6140.300107.8K206 F210K206-E208 PolarHBondContact O-N 2.79Å; E208-F210 PolarHBondContact O-N 3.17Å; E208-F210 VanDerWaalsContact O-N 3.16Å
209K78.2Confident65Low136 Ų136118 Ų11859%0.59160%0.601SS**  trans-72.1113.4-179.5-62.6173.7-175.71630106.8S207 A211 K218 F219S207-K209 PolarHBondContact O-N 2.82Å; K209-A211 PolarHBondContact O-N 3.01Å; K209-K218 HydrophobicContact CB-CB 3.85Å; K209-F219 CarbonylContact C-O 3.57Å; K209-F219 WeakPolarHBondContact CA-O 3.47Å
210F90.8Very high67.8Low88 Ų88115.8 Ų115.839%0.38658%0.584SS.*EExtended strand (participates in β ladder)trans-52.5105178.4-61.5-85.7000109.7E208 K218 F219 K222 L225E208-F210 PolarHBondContact O-N 3.17Å; E208-F210 VanDerWaalsContact O-N 3.16Å; F210-K218 CarbonylContact O-C 3.59Å; F210-K218 WeakPolarHBondContact O-CA 3.37Å; F210-F219 PolarHBondContact N-O 3.03Å; F210-F219 VanDerWaalsContact N-O 3.1Å; F210-F219 PolarHBondContact O-N 3.21Å; F210-K222 HydrophobicContact CD1-CB 3.88Å; F210-K222 HydrophobicContact CD1-CG 4.27Å; F210-K222 VanDerWaalsContact CD2-N 3.32Å; F210-K222 HydrophobicContact CE1-CB 3.83Å; F210-K222 HydrophobicContact CE1-CD 4.47Å; F210-K222 HydrophobicContact CE1-CG 4.39Å; F210-K222 HydrophobicContact CG-CB 4.26Å; F210-K222 HydrophobicContact CZ-CB 4.16Å; F210-L225 HydrophobicContact CB-CB 4.13Å; F210-L225 HydrophobicContact CB-CD2 3.82Å
211A91.9Very high70.7Confident51 Ų51112 Ų11242%0.42157%0.565SS.*EExtended strand (participates in β ladder)trans-82.1148.3-179.600000110.4K209 K218 L225K209-A211 PolarHBondContact O-N 3.01Å; A211-K218 HydrophobicContact CB-CD 4.48Å; A211-K218 HydrophobicContact CB-CG 4.05Å; A211-L225 VanDerWaalsContact O-CD2 3.24Å; A211-L225 WeakPolarHBondContact O-CD2 3.4Å
212C90.3Very high73.4Confident11 Ų11109.7 Ų109.77%0.07456%0.555CS.*  trans-81.9138167.4-173.80000109.8H214 C215 K217 F219 L225 H233C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact SG-N 3.14Å; C212-C215 CarbonylContact C-O 3.57Å; C212-C215 WeakPolarHBondContact CB-O 3.46Å; C212-K217 PolarHBondContact N-O 2.9Å; C212-F219 HydrophobicContact CB-CE2 4.46Å; C212-L225 HydrophobicContact CB-CD1 3.67Å; C212-H233 VanDerWaalsContact SG-CD2 3.59Å; C212-H233 PolarHBondContact SG-NE2 3.48Å
213E91.9Very high76.2Confident185 Ų185107.2 Ų107.286%0.86455%0.549SS*.SBendtrans-78.4-22.3177.1-67168.9-161.400111.8
214H87.2Confident78.6Confident123 Ų123107.1 Ų107.157%0.56953%0.531SS*.SBendtrans-99.3-7.1-178.5-47.9-53.4000113.9C212 H233C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact SG-N 3.14Å; H214-H233 VanDerWaalsContact CB-CE1 3.43Å; H214-H233 WeakPolarHBondContact CB-CE1 3.24Å; H214-H233 AromaticContact CD2-CD2 3.89Å; H214-H233 AromaticContact CD2-CG 3.87Å
215C89.1Confident81.2Confident43 Ų43102.9 Ų102.929%0.29151%0.509SS..SBendtrans-160.9164.617077.10000112.7C212 K217 H228C212-C215 CarbonylContact C-O 3.57Å; C212-C215 WeakPolarHBondContact CB-O 3.46Å; C215-K217 PolarHBondContact O-N 2.9Å; C215-H228 PolarHBondContact SG-NE2 3.25Å
216E89Confident83.9Confident192 Ų192102.3 Ų102.390%0.89750%0.499SS*.SBendtrans-65.52.7-174.8-57.4178.3176.100116.1
217K88.1Confident86Confident59 Ų5997 Ų9726%0.25748%0.477SS..  trans-73.2140.4-178.1-72.7-158.7175.3-162.70112.4P164 T167 C212 C215 F219P164-K217 PolarHBondContact O-NZ 2.9Å; T167-K217 PolarHBondContact OG1-NZ 3.42Å; T167-K217 VanDerWaalsContact OG1-NZ 3.11Å; C212-K217 PolarHBondContact N-O 2.9Å; C215-K217 PolarHBondContact O-N 2.9Å; K217-F219 HydrophobicContact CB-CE2 3.6Å; K217-F219 HydrophobicContact CB-CZ 3.74Å; K217-F219 HydrophobicContact CD-CZ 3.95Å
218K93Very high88Confident145 Ų14594 Ų9463%0.6345%0.454SS*.EExtended strand (participates in β ladder)trans-125.9137.7177.4-53-172.4-180-175.80110.8K209 F210 A211K209-K218 HydrophobicContact CB-CB 3.85Å; F210-K218 CarbonylContact O-C 3.59Å; F210-K218 WeakPolarHBondContact O-CA 3.37Å; A211-K218 HydrophobicContact CB-CD 4.48Å; A211-K218 HydrophobicContact CB-CG 4.05Å
219F90.5Very high89.7Confident30 Ų3087 Ų8713%0.13242%0.423CS..EExtended strand (participates in β ladder)trans-119.8154.6-168.4-63.7-88.1000112.7K209 F210 C212 K217 L225 H228K209-F219 CarbonylContact C-O 3.57Å; K209-F219 WeakPolarHBondContact CA-O 3.47Å; F210-F219 PolarHBondContact N-O 3.03Å; F210-F219 VanDerWaalsContact N-O 3.1Å; F210-F219 PolarHBondContact O-N 3.21Å; C212-F219 HydrophobicContact CB-CE2 4.46Å; K217-F219 HydrophobicContact CB-CE2 3.6Å; K217-F219 HydrophobicContact CB-CZ 3.74Å; K217-F219 HydrophobicContact CD-CZ 3.95Å; F219-L225 HydrophobicContact CB-CB 4.16Å; F219-L225 HydrophobicContact CD2-CB 3.93Å; F219-L225 HydrophobicContact CD2-CD1 3.74Å; F219-L225 HydrophobicContact CD2-CG 4.44Å; F219-L225 HydrophobicContact CE2-CD1 3.97Å; F219-L225 HydrophobicContact CG-CB 4.17Å; F219-H228 HydrophobicContact CE1-CB 3.76Å; F219-H228 HydrophobicContact CE2-CB 3.94Å; F219-H228 AromaticContact CE2-CD2 3.32Å; F219-H228 WeakPolarHBondContact CE2-CD2 3.28Å; F219-H228 AromaticContact CE2-CG 3.66Å; F219-H228 HydrophobicContact CZ-CB 3.39Å; F219-H228 AromaticContact CZ-CD2 3.35Å; F219-H228 WeakPolarHBondContact CZ-CD2 3.1Å; F219-H228 AromaticContact CZ-CG 3.18Å; F219-H228 AromaticContact CZ-ND1 3.79Å; F219-H228 AromaticContact CZ-NE2 3.99Å
220K91.7Very high90.2Very high140 Ų14084.9 Ų84.961%0.60941%0.414SS*.SBendtrans-76-21.4-179.764.3176.9-178.1179.20114.2Y224K220-Y224 HydrophobicContact CD-CE2 4.45Å; K220-Y224 HydrophobicContact CG-CD2 3.9Å; K220-Y224 HydrophobicContact CG-CE2 4.2Å
221T92Very high89.9Confident54 Ų5481.7 Ų81.733%0.33140%0.402SS..SBendtrans-145.7156.8174.669.60000110.7S223 Y224 L225T221-S223 PolarHBondContact O-N 2.9Å; T221-Y224 PolarHBondContact O-N 3.29Å; T221-Y224 WeakPolarHBondContact OG1-CD2 3.39Å; T221-Y224 PolarHBondContact OG1-N 3.38Å; T221-L225 PolarHBondContact O-N 2.81Å
222K92.3Very high89.7Confident153 Ų15381.1 Ų81.167%0.66539%0.391SS*.Hα-helixtrans-58.6-30.7174.3-166.4171.1-177.5174.30112.9F210 L225 N226F210-K222 HydrophobicContact CD1-CB 3.88Å; F210-K222 HydrophobicContact CD1-CG 4.27Å; F210-K222 VanDerWaalsContact CD2-N 3.32Å; F210-K222 HydrophobicContact CE1-CB 3.83Å; F210-K222 HydrophobicContact CE1-CD 4.47Å; F210-K222 HydrophobicContact CE1-CG 4.39Å; F210-K222 HydrophobicContact CG-CB 4.26Å; F210-K222 HydrophobicContact CZ-CB 4.16Å; K222-L225 PolarHBondContact O-N 2.89Å; K222-N226 WeakPolarHBondContact O-CB 3.44Å; K222-N226 PolarHBondContact O-N 3.44Å
223S90.1Very high89.6Confident86 Ų8683.7 Ų83.760%0.60140%0.402SS*.Hα-helixtrans-62.6-49176-179.20000112.1T221 L225 N226 E227T221-S223 PolarHBondContact O-N 2.9Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.23Å; S223-N226 PolarHBondContact O-N 2.81Å; S223-E227 PolarHBondContact O-N 3.19Å
224Y88.4Confident89.5Confident112 Ų11280 Ų8044%0.43939%0.385SS..Hα-helixtrans-66.8-31.5176.6-71.3-63.3000113.1K220 T221 H228K220-Y224 HydrophobicContact CD-CE2 4.45Å; K220-Y224 HydrophobicContact CG-CD2 3.9Å; K220-Y224 HydrophobicContact CG-CE2 4.2Å; T221-Y224 PolarHBondContact O-N 3.29Å; T221-Y224 WeakPolarHBondContact OG1-CD2 3.39Å; T221-Y224 PolarHBondContact OG1-N 3.38Å; Y224-H228 VanDerWaalsContact O-CB 3.28Å; Y224-H228 WeakPolarHBondContact O-CB 3.2Å; Y224-H228 PolarHBondContact O-N 2.92Å
225L91.5Very high89.4Confident29 Ų2975.9 Ų75.915%0.15238%0.375CS..Hα-helixtrans-64-46.2170.8171.161.2000111F210 A211 C212 F219 T221 K222 S223 H228 V229F210-L225 HydrophobicContact CB-CB 4.13Å; F210-L225 HydrophobicContact CB-CD2 3.82Å; A211-L225 VanDerWaalsContact O-CD2 3.24Å; A211-L225 WeakPolarHBondContact O-CD2 3.4Å; C212-L225 HydrophobicContact CB-CD1 3.67Å; F219-L225 HydrophobicContact CB-CB 4.16Å; F219-L225 HydrophobicContact CD2-CB 3.93Å; F219-L225 HydrophobicContact CD2-CD1 3.74Å; F219-L225 HydrophobicContact CD2-CG 4.44Å; F219-L225 HydrophobicContact CE2-CD1 3.97Å; F219-L225 HydrophobicContact CG-CB 4.17Å; T221-L225 PolarHBondContact O-N 2.81Å; K222-L225 PolarHBondContact O-N 2.89Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.23Å; L225-H228 WeakPolarHBondContact O-CB 3.37Å; L225-H228 PolarHBondContact O-N 3.39Å; L225-V229 HydrophobicContact CD1-CG2 4.01Å; L225-V229 WeakPolarHBondContact O-CG2 3.35Å; L225-V229 PolarHBondContact O-N 2.79Å
226N91.5Very high89.3Confident85 Ų8578.2 Ų78.246%0.45538%0.384SS..Hα-helixtrans-65.3-43.9-179.2-164.26.8000111.7K222 S223 H228 V229 K230K222-N226 WeakPolarHBondContact O-CB 3.44Å; K222-N226 PolarHBondContact O-N 3.44Å; S223-N226 PolarHBondContact O-N 2.81Å; N226-H228 VanDerWaalsContact C-N 3.29Å; N226-H228 PolarHBondContact O-N 3.06Å; N226-V229 PolarHBondContact O-N 3.08Å; N226-K230 WeakPolarHBondContact O-CG 3.5Å; N226-K230 PolarHBondContact O-N 3.33Å
227E88.7Confident89.2Confident65 Ų6572.4 Ų72.430%0.30436%0.359SS..Hα-helixtrans-56.8-43.8171.2-172.1-170.5131.200111.2S223 V231 K248 S249S223-E227 PolarHBondContact O-N 3.19Å; E227-V231 HydrophobicContact CG-CG2 4.39Å; E227-V231 WeakPolarHBondContact O-CB 3.42Å; E227-V231 VanDerWaalsContact O-CG2 3.25Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 3.44Å; E227-K248 VanDerWaalsContact CG-O 3.31Å; E227-K248 WeakPolarHBondContact CG-O 3.3Å; E227-S249 VanDerWaalsContact OE1-CB 3.24Å; E227-S249 WeakPolarHBondContact OE1-CB 3.42Å
228H87.9Confident89.1Confident15 Ų1572.9 Ų72.97%0.06936%0.363CS..Hα-helixtrans-61.1-45.6175.916662.6000112.8C215 F219 Y224 L225 N226 I232 H233C215-H228 PolarHBondContact SG-NE2 3.25Å; F219-H228 HydrophobicContact CE1-CB 3.76Å; F219-H228 HydrophobicContact CE2-CB 3.94Å; F219-H228 AromaticContact CE2-CD2 3.32Å; F219-H228 WeakPolarHBondContact CE2-CD2 3.28Å; F219-H228 AromaticContact CE2-CG 3.66Å; F219-H228 HydrophobicContact CZ-CB 3.39Å; F219-H228 AromaticContact CZ-CD2 3.35Å; F219-H228 WeakPolarHBondContact CZ-CD2 3.1Å; F219-H228 AromaticContact CZ-CG 3.18Å; F219-H228 AromaticContact CZ-ND1 3.79Å; F219-H228 AromaticContact CZ-NE2 3.99Å; Y224-H228 VanDerWaalsContact O-CB 3.28Å; Y224-H228 WeakPolarHBondContact O-CB 3.2Å; Y224-H228 PolarHBondContact O-N 2.92Å; L225-H228 WeakPolarHBondContact O-CB 3.37Å; L225-H228 PolarHBondContact O-N 3.39Å; N226-H228 VanDerWaalsContact C-N 3.29Å; N226-H228 PolarHBondContact O-N 3.06Å; H228-I232 WeakPolarHBondContact ND1-CG1 3.46Å; H228-I232 WeakPolarHBondContact O-CA 3.43Å; H228-I232 WeakPolarHBondContact O-CB 3.29Å; H228-I232 VanDerWaalsContact O-CG1 3.3Å; H228-I232 WeakPolarHBondContact O-CG1 3.47Å; H228-I232 PolarHBondContact O-N 3.02Å; H228-H233 AromaticContact CE1-NE2 3.84Å; H228-H233 AromaticContact NE2-CD2 3.89Å; H228-H233 AromaticContact NE2-NE2 3.38Å; H228-H233 PolarHBondContact NE2-NE2 3.39Å
229V89.3Confident89Confident24 Ų2472.2 Ų72.215%0.14536%0.362CS..Hα-helixtrans-61.9-49.8179.5171.50000110.7L225 N226 V231 H233 E234L225-V229 HydrophobicContact CD1-CG2 4.01Å; L225-V229 WeakPolarHBondContact O-CG2 3.35Å; L225-V229 PolarHBondContact O-N 2.79Å; N226-V229 PolarHBondContact O-N 3.08Å; V229-V231 PolarHBondContact O-N 3.44Å; V229-H233 WeakPolarHBondContact O-CA 3.18Å; V229-H233 WeakPolarHBondContact O-CB 3.29Å; V229-H233 PolarHBondContact O-N 3.22Å; V229-E234 HydrophobicContact CG1-CG 4.41Å; V229-E234 PolarHBondContact O-N 3.4Å
230K90.1Very high88.8Confident92 Ų9270.9 Ų70.940%0.436%0.357SS..Iπ-helixtrans-55-52.4176.9-69.2-172.2172.9-160.60112.5N226 E234 G235 I236N226-K230 WeakPolarHBondContact O-CG 3.5Å; N226-K230 PolarHBondContact O-N 3.33Å; K230-E234 WeakPolarHBondContact CG-OE2 3.27Å; K230-E234 CarbonylContact O-C 3.6Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-G235 CarbonylContact O-C 3.51Å; K230-G235 PolarHBondContact O-N 3.37Å; K230-I236 HydrophobicContact CB-CB 4.45Å; K230-I236 PolarHBondContact O-N 3.41Å
231V84.8Confident88.8Confident21 Ų2172 Ų7213%0.12737%0.37CS..Iπ-helixtrans-78-33.4-173.6-175.30000112.4R162 E227 V229 L237 K248R162-V231 PolarHBondContact NE-O 2.93Å; R162-V231 PolarHBondContact NH2-O 3.45Å; E227-V231 HydrophobicContact CG-CG2 4.39Å; E227-V231 WeakPolarHBondContact O-CB 3.42Å; E227-V231 VanDerWaalsContact O-CG2 3.25Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 3.44Å; V229-V231 PolarHBondContact O-N 3.44Å; V231-L237 HydrophobicContact CG1-CD2 3.85Å; V231-K248 HydrophobicContact CG1-CB 3.79Å; V231-K248 HydrophobicContact CG2-CB 4.02Å; V231-K248 VanDerWaalsContact CG2-O 3.25Å; V231-K248 WeakPolarHBondContact CG2-O 3.37Å
232I86.4Confident88.7Confident40 Ų4075.1 Ų75.121%0.20538%0.381CS..Iπ-helixtrans-102.1-31.2-168.9-52.6-45.3000113.9R162 P164 H228R162-I232 PolarHBondContact NH2-O 3.42Å; P164-I232 HydrophobicContact CB-CD1 3.53Å; P164-I232 HydrophobicContact CB-CG1 4.04Å; P164-I232 HydrophobicContact CB-CG2 4.22Å; P164-I232 HydrophobicContact CG-CD1 3.51Å; P164-I232 HydrophobicContact CG-CG1 4.31Å; P164-I232 HydrophobicContact CG-CG2 4.06Å; H228-I232 WeakPolarHBondContact ND1-CG1 3.46Å; H228-I232 WeakPolarHBondContact O-CA 3.43Å; H228-I232 WeakPolarHBondContact O-CB 3.29Å; H228-I232 VanDerWaalsContact O-CG1 3.3Å; H228-I232 WeakPolarHBondContact O-CG1 3.47Å; H228-I232 PolarHBondContact O-N 3.02Å
233H87.6Confident88.7Confident65 Ų6570.9 Ų70.930%0.30137%0.369SS..Iπ-helixtrans-104.1-50.2179.7-61.9-62.3000110.8C212 H214 H228 V229C212-H233 VanDerWaalsContact SG-CD2 3.59Å; C212-H233 PolarHBondContact SG-NE2 3.48Å; H214-H233 VanDerWaalsContact CB-CE1 3.43Å; H214-H233 WeakPolarHBondContact CB-CE1 3.24Å; H214-H233 AromaticContact CD2-CD2 3.89Å; H214-H233 AromaticContact CD2-CG 3.87Å; H228-H233 AromaticContact CE1-NE2 3.84Å; H228-H233 AromaticContact NE2-CD2 3.89Å; H228-H233 AromaticContact NE2-NE2 3.38Å; H228-H233 PolarHBondContact NE2-NE2 3.39Å; V229-H233 WeakPolarHBondContact O-CA 3.18Å; V229-H233 WeakPolarHBondContact O-CB 3.29Å; V229-H233 PolarHBondContact O-N 3.22Å
234E90Very high88.6Confident107 Ų10768.8 Ų68.850%0.536%0.361SS..Iπ-helixtrans-79.1-28179.9-54.8169.3-177.300112.9V229 K230 I236V229-E234 HydrophobicContact CG1-CG 4.41Å; V229-E234 PolarHBondContact O-N 3.4Å; K230-E234 WeakPolarHBondContact CG-OE2 3.27Å; K230-E234 CarbonylContact O-C 3.6Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 HydrophobicContact CB-CD1 4.11Å; E234-I236 HydrophobicContact CB-CG1 3.91Å; E234-I236 WeakPolarHBondContact OE2-CD1 3.31Å
235G85.2Confident88.4Confident36 Ų3666.8 Ų66.837%0.37136%0.358SS..  trans81.48.4-177.200000115K230 L237K230-G235 CarbonylContact O-C 3.51Å; K230-G235 PolarHBondContact O-N 3.37Å; G235-L237 PolarHBondContact O-N 3.21Å
236I86.8Confident88.1Confident93 Ų9366.3 Ų66.348%0.47736%0.361SS..  trans-73.2121179.9-57.1-178.1000109.5K230 E234K230-I236 HydrophobicContact CB-CB 4.45Å; K230-I236 PolarHBondContact O-N 3.41Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 HydrophobicContact CB-CD1 4.11Å; E234-I236 HydrophobicContact CB-CG1 3.91Å; E234-I236 WeakPolarHBondContact OE2-CD1 3.31Å
237L87.1Confident87.8Confident69 Ų6963.9 Ų63.936%0.36135%0.346SS..  trans-106.6150.3168.9-63.7176.6000109.3V231 G235 Q239V231-L237 HydrophobicContact CG1-CD2 3.85Å; G235-L237 PolarHBondContact O-N 3.21Å; L237-Q239 PolarHBondContact O-N 3.45Å
238I86.6Confident87.7Confident69 Ų6966.9 Ų66.935%0.35436%0.358SS..EExtended strand (participates in β ladder)trans-83.9113.2171.4-44178.1000106.8F247 T250 L253I238-F247 PolarHBondContact N-O 2.84Å; I238-F247 PolarHBondContact O-N 3.46Å; I238-T250 HydrophobicContact CD1-CG2 3.53Å; I238-L253 HydrophobicContact CB-CD2 4.4Å; I238-L253 HydrophobicContact CG2-CD2 3.6Å
239Q90.2Very high87.6Confident131 Ų13166.8 Ų66.861%0.61236%0.359SS*.EExtended strand (participates in β ladder)trans-77.8153.2179.9-70.3-179.8-35.600111.3L237 D245L237-Q239 PolarHBondContact O-N 3.45Å; Q239-D245 CarbonylContact C-O 3.59Å; Q239-D245 WeakPolarHBondContact CA-O 3.38Å
240C87.1Confident87.6Confident2 Ų270.3 Ų70.31%0.01438%0.381CS..  trans-85.9122.6163.6-177.80000109.6E242 C243 G244 D245 F247 L253C240-E242 PolarHBondContact O-N 3.24Å; C240-C243 PolarHBondContact O-N 3.33Å; C240-G244 VanDerWaalsContact O-CA 3.29Å; C240-G244 WeakPolarHBondContact O-CA 3.36Å; C240-G244 PolarHBondContact O-N 2.81Å; C240-D245 PolarHBondContact N-O 3.39Å; C240-F247 HydrophobicContact CB-CE2 4.16Å; C240-L253 HydrophobicContact CB-CD1 3.52Å
241D92.4Very high87.5Confident165 Ų16569.4 Ų69.488%0.88239%0.386SS*.THydrogen-bonded Turntrans-64.4-22.3-179-53.1-45.6000113
242E89.6Confident87.5Confident119 Ų11970 Ų7056%0.55639%0.391SS*.THydrogen-bonded Turntrans-87.9-22.4-177.3-62.2-175.8-125.600114.2C240 H261C240-E242 PolarHBondContact O-N 3.24Å; E242-H261 WeakPolarHBondContact CB-CE1 3.35Å; E242-H261 VanDerWaalsContact CB-ND1 3.33Å; E242-H261 WeakPolarHBondContact CB-ND1 3.36Å; E242-H261 IonicContact OE1-CG 3.27Å; E242-H261 WeakPolarHBondContact OE2-CB 3.23Å; E242-H261 IonicContact OE2-CE1 3.83Å; E242-H261 IonicContact OE2-CG 2.79Å; E242-H261 VanDerWaalsContact OE2-CG 3.27Å; E242-H261 IonicContact OE2-ND1 3.8Å; E242-H261 PolarHBondContact OE2-ND1 3.02Å
243C90.7Very high87.6Confident64 Ų6469.2 Ų69.243%0.43239%0.387SS..THydrogen-bonded Turntrans-141.5-5.1-178.166.90000116C240 D245 H256 H261C240-C243 PolarHBondContact O-N 3.33Å; C243-D245 VanDerWaalsContact C-N 3.28Å; C243-D245 PolarHBondContact O-N 3.26Å; C243-H256 VanDerWaalsContact SG-CE1 3.59Å; C243-H256 PolarHBondContact SG-NE2 3.47Å; C243-H261 PolarHBondContact SG-NE2 2.9Å; C243-H261 VanDerWaalsContact SG-NE2 3.44Å
244G88.3Confident87.7Confident42 Ų4272.6 Ų72.643%0.43340%0.401SS..  trans78.7-5.3-179.400000116C240 G246C240-G244 VanDerWaalsContact O-CA 3.29Å; C240-G244 WeakPolarHBondContact O-CA 3.36Å; C240-G244 PolarHBondContact O-N 2.81Å; G244-G246 PolarHBondContact O-N 2.94Å
245D84.8Confident87.6Confident69 Ų6969.7 Ų69.737%0.36939%0.389SS..  trans-60.6135.7-178.1-99.7-21.3000112.2Q160 Q239 C240 C243 F247 H256Q160-D245 PolarHBondContact NE2-OD1 3.36Å; Q239-D245 CarbonylContact C-O 3.59Å; Q239-D245 WeakPolarHBondContact CA-O 3.38Å; C240-D245 PolarHBondContact N-O 3.39Å; C243-D245 VanDerWaalsContact C-N 3.28Å; C243-D245 PolarHBondContact O-N 3.26Å; D245-F247 HydrophobicContact CB-CE2 3.59Å; D245-F247 HydrophobicContact CB-CZ 3.79Å; D245-F247 VanDerWaalsContact O-CD2 3.26Å; D245-F247 WeakPolarHBondContact O-CD2 3.35Å; D245-F247 WeakPolarHBondContact O-CE2 3.43Å; D245-H256 IonicContact OD2-CE1 2.79Å
246G85.9Confident87.7Confident20 Ų2069 Ų6921%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-95.5125.3-175.200000114G244G244-G246 PolarHBondContact O-N 2.94Å
247F85.1Confident87.8Confident33 Ų3366.2 Ų66.215%0.14536%0.362CS..EExtended strand (participates in β ladder)trans-116.7141.7-178.1-62.8-84.3000113.2I238 C240 D245 S249 L253 H256I238-F247 PolarHBondContact N-O 2.84Å; I238-F247 PolarHBondContact O-N 3.46Å; C240-F247 HydrophobicContact CB-CE2 4.16Å; D245-F247 HydrophobicContact CB-CE2 3.59Å; D245-F247 HydrophobicContact CB-CZ 3.79Å; D245-F247 VanDerWaalsContact O-CD2 3.26Å; D245-F247 WeakPolarHBondContact O-CD2 3.35Å; D245-F247 WeakPolarHBondContact O-CE2 3.43Å; F247-S249 VanDerWaalsContact C-N 3.33Å; F247-S249 PolarHBondContact O-N 3.48Å; F247-L253 HydrophobicContact CB-CB 3.97Å; F247-L253 HydrophobicContact CD2-CB 3.96Å; F247-L253 HydrophobicContact CD2-CD1 3.53Å; F247-L253 HydrophobicContact CD2-CG 4.32Å; F247-L253 HydrophobicContact CE2-CD1 3.8Å; F247-L253 HydrophobicContact CG-CB 3.96Å; F247-L253 HydrophobicContact CG-CD1 4.37Å; F247-H256 HydrophobicContact CD1-CB 4.44Å; F247-H256 HydrophobicContact CE1-CB 3.57Å; F247-H256 AromaticContact CE1-CG 3.87Å; F247-H256 HydrophobicContact CE2-CB 4.13Å; F247-H256 AromaticContact CE2-CD2 3.57Å; F247-H256 AromaticContact CE2-CG 3.75Å; F247-H256 AromaticContact CE2-NE2 3.97Å; F247-H256 HydrophobicContact CZ-CB 3.41Å; F247-H256 VanDerWaalsContact CZ-CB 3.41Å; F247-H256 AromaticContact CZ-CD2 3.5Å; F247-H256 AromaticContact CZ-CE1 3.88Å; F247-H256 AromaticContact CZ-CG 3.16Å; F247-H256 AromaticContact CZ-ND1 3.44Å; F247-H256 WeakPolarHBondContact CZ-ND1 3.21Å; F247-H256 AromaticContact CZ-NE2 3.93Å
248K85.8Confident87.8Confident129 Ų12965 Ų6556%0.56136%0.356SS*.SBendtrans-70.5-24.3176.264.8-176.6-179-174.40114.5E227 V231E227-K248 VanDerWaalsContact CG-O 3.31Å; E227-K248 WeakPolarHBondContact CG-O 3.3Å; V231-K248 HydrophobicContact CG1-CB 3.79Å; V231-K248 HydrophobicContact CG2-CB 4.02Å; V231-K248 VanDerWaalsContact CG2-O 3.25Å; V231-K248 WeakPolarHBondContact CG2-O 3.37Å
249S86.4Confident87.8Confident13 Ų1364.2 Ų64.29%0.09135%0.352CS..SBendtrans-146.9151.6-174.681.90000112E227 F247 S251 S252 L253E227-S249 VanDerWaalsContact OE1-CB 3.24Å; E227-S249 WeakPolarHBondContact OE1-CB 3.42Å; F247-S249 VanDerWaalsContact C-N 3.33Å; F247-S249 PolarHBondContact O-N 3.48Å; S249-S251 PolarHBondContact O-N 3.34Å; S249-S252 WeakPolarHBondContact O-CA 3.29Å; S249-S252 WeakPolarHBondContact O-CB 3.48Å; S249-S252 PolarHBondContact O-N 3.49Å; S249-S252 PolarHBondContact OG-N 3.37Å; S249-S252 VanDerWaalsContact OG-N 3.17Å; S249-S252 PolarHBondContact OG-OG 3.34Å; S249-L253 PolarHBondContact O-N 3.32Å
250T89Confident87.6Confident97 Ų9762.3 Ų62.360%0.59535%0.349SS*.Hα-helixtrans-59.1-36.8178.251.50000111.7I238 S252 L253 K254I238-T250 HydrophobicContact CD1-CG2 3.53Å; T250-S252 VanDerWaalsContact C-N 3.33Å; T250-S252 PolarHBondContact O-N 3.31Å; T250-L253 PolarHBondContact O-N 2.77Å; T250-K254 WeakPolarHBondContact O-CB 3.27Å; T250-K254 PolarHBondContact O-N 2.96Å
251S87.7Confident87.6Confident74 Ų7465 Ų6552%0.51736%0.361SS..Hα-helixtrans-65.4-35.2174.2-41.50000112.6S249 N255S249-S251 PolarHBondContact O-N 3.34Å; S251-N255 WeakPolarHBondContact O-CB 3.49Å; S251-N255 PolarHBondContact O-N 3.4Å; S251-N255 VanDerWaalsContact O-N 3.08Å; S251-N255 PolarHBondContact O-ND2 3.42Å; S251-N255 VanDerWaalsContact O-ND2 3.1Å
252S85.8Confident87.5Confident33 Ų3363.1 Ų63.123%0.23135%0.345CS..Hα-helixtrans-68.7-46.9177.1-54.10000110.6S249 T250 N255 H256S249-S252 WeakPolarHBondContact O-CA 3.29Å; S249-S252 WeakPolarHBondContact O-CB 3.48Å; S249-S252 PolarHBondContact O-N 3.49Å; S249-S252 PolarHBondContact OG-N 3.37Å; S249-S252 VanDerWaalsContact OG-N 3.17Å; S249-S252 PolarHBondContact OG-OG 3.34Å; T250-S252 VanDerWaalsContact C-N 3.33Å; T250-S252 PolarHBondContact O-N 3.31Å; S252-N255 PolarHBondContact O-N 2.98Å; S252-H256 PolarHBondContact O-N 2.91Å
253L87.4Confident87.2Confident23 Ų2360.1 Ų60.112%0.1235%0.347CS..Hα-helixtrans-58.9-47.5174.1174.660.7000111.6I238 C240 F247 S249 T250 N255 H256 I257I238-L253 HydrophobicContact CB-CD2 4.4Å; I238-L253 HydrophobicContact CG2-CD2 3.6Å; C240-L253 HydrophobicContact CB-CD1 3.52Å; F247-L253 HydrophobicContact CB-CB 3.97Å; F247-L253 HydrophobicContact CD2-CB 3.96Å; F247-L253 HydrophobicContact CD2-CD1 3.53Å; F247-L253 HydrophobicContact CD2-CG 4.32Å; F247-L253 HydrophobicContact CE2-CD1 3.8Å; F247-L253 HydrophobicContact CG-CB 3.96Å; F247-L253 HydrophobicContact CG-CD1 4.37Å; S249-L253 PolarHBondContact O-N 3.32Å; T250-L253 PolarHBondContact O-N 2.77Å; L253-N255 VanDerWaalsContact C-N 3.32Å; L253-N255 PolarHBondContact O-N 2.86Å; L253-H256 WeakPolarHBondContact O-CB 3.44Å; L253-H256 PolarHBondContact O-N 3.02Å; L253-H256 VanDerWaalsContact O-N 3.11Å; L253-I257 HydrophobicContact CD1-CD1 3.76Å; L253-I257 HydrophobicContact CD1-CG1 3.91Å; L253-I257 HydrophobicContact CD2-CD1 4.42Å; L253-I257 HydrophobicContact CG-CD1 3.8Å; L253-I257 HydrophobicContact CG-CG1 4.34Å; L253-I257 WeakPolarHBondContact O-CG1 3.21Å; L253-I257 PolarHBondContact O-N 2.88Å
254K90.9Very high87Confident136 Ų13662.4 Ų62.459%0.59135%0.354SS*.Hα-helixtrans-58.7-41.5178.2-175.7175.3-178.8176.40112.4T250 N258T250-K254 WeakPolarHBondContact O-CB 3.27Å; T250-K254 PolarHBondContact O-N 2.96Å; K254-N258 VanDerWaalsContact O-CB 3.3Å; K254-N258 WeakPolarHBondContact O-CB 3.16Å; K254-N258 VanDerWaalsContact O-CG 3.26Å; K254-N258 PolarHBondContact O-N 3.04Å
255N86Confident87Confident46 Ų4661.4 Ų61.425%0.24634%0.344CS..Hα-helixtrans-67.2-36.7176.6-68.6-22.8000112.1S251 S252 L253 L259 Q277S251-N255 WeakPolarHBondContact O-CB 3.49Å; S251-N255 PolarHBondContact O-N 3.4Å; S251-N255 VanDerWaalsContact O-N 3.08Å; S251-N255 PolarHBondContact O-ND2 3.42Å; S251-N255 VanDerWaalsContact O-ND2 3.1Å; S252-N255 PolarHBondContact O-N 2.98Å; L253-N255 VanDerWaalsContact C-N 3.32Å; L253-N255 PolarHBondContact O-N 2.86Å; N255-L259 WeakPolarHBondContact O-CB 3.36Å; N255-L259 PolarHBondContact O-N 2.89Å; N255-Q277 PolarHBondContact ND2-NE2 3.41Å
256H87.8Confident87.1Confident21 Ų2162 Ų6210%0.09734%0.343CS..Hα-helixtrans-66.1-51.8173.7159.789.6000111.7C243 D245 F247 S252 L253 N258 L259 V260 H261C243-H256 VanDerWaalsContact SG-CE1 3.59Å; C243-H256 PolarHBondContact SG-NE2 3.47Å; D245-H256 IonicContact OD2-CE1 2.79Å; F247-H256 HydrophobicContact CD1-CB 4.44Å; F247-H256 HydrophobicContact CE1-CB 3.57Å; F247-H256 AromaticContact CE1-CG 3.87Å; F247-H256 HydrophobicContact CE2-CB 4.13Å; F247-H256 AromaticContact CE2-CD2 3.57Å; F247-H256 AromaticContact CE2-CG 3.75Å; F247-H256 AromaticContact CE2-NE2 3.97Å; F247-H256 HydrophobicContact CZ-CB 3.41Å; F247-H256 VanDerWaalsContact CZ-CB 3.41Å; F247-H256 AromaticContact CZ-CD2 3.5Å; F247-H256 AromaticContact CZ-CE1 3.88Å; F247-H256 AromaticContact CZ-CG 3.16Å; F247-H256 AromaticContact CZ-ND1 3.44Å; F247-H256 WeakPolarHBondContact CZ-ND1 3.21Å; F247-H256 AromaticContact CZ-NE2 3.93Å; S252-H256 PolarHBondContact O-N 2.91Å; L253-H256 WeakPolarHBondContact O-CB 3.44Å; L253-H256 PolarHBondContact O-N 3.02Å; L253-H256 VanDerWaalsContact O-N 3.11Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact O-N 2.89Å; H256-L259 PolarHBondContact O-N 2.82Å; H256-L259 VanDerWaalsContact O-N 3.14Å; H256-V260 WeakPolarHBondContact O-CB 3.26Å; H256-V260 PolarHBondContact O-N 2.84Å; H256-H261 AromaticContact CE1-NE2 3.93Å; H256-H261 AromaticContact NE2-CD2 3.58Å; H256-H261 AromaticContact NE2-NE2 3.39Å; H256-H261 PolarHBondContact NE2-NE2 3.49Å
257I88.3Confident87.3Confident35 Ų3565.3 Ų65.318%0.17935%0.353CS..Iπ-helixtrans-55.6-46.8176.8-68171.5000110.2L253 L259 H261 K262L253-I257 HydrophobicContact CD1-CD1 3.76Å; L253-I257 HydrophobicContact CD1-CG1 3.91Å; L253-I257 HydrophobicContact CD2-CD1 4.42Å; L253-I257 HydrophobicContact CG-CD1 3.8Å; L253-I257 HydrophobicContact CG-CG1 4.34Å; L253-I257 WeakPolarHBondContact O-CG1 3.21Å; L253-I257 PolarHBondContact O-N 2.88Å; I257-L259 PolarHBondContact O-N 3.04Å; I257-H261 HydrophobicContact CG2-CB 4.36Å; I257-H261 WeakPolarHBondContact O-CA 3.4Å; I257-H261 WeakPolarHBondContact O-CB 3.33Å; I257-H261 PolarHBondContact O-N 3.32Å; I257-K262 HydrophobicContact CG2-CD 4.08Å; I257-K262 HydrophobicContact CG2-CG 4.26Å; I257-K262 PolarHBondContact O-N 3.3Å
258N88.8Confident87.5Confident45 Ų4564 Ų6424%0.24135%0.348CS..Iπ-helixtrans-59.2-47.6177.9-78.61.8000112K254 H256 K262 G263 L264K254-N258 VanDerWaalsContact O-CB 3.3Å; K254-N258 WeakPolarHBondContact O-CB 3.16Å; K254-N258 VanDerWaalsContact O-CG 3.26Å; K254-N258 PolarHBondContact O-N 3.04Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact O-N 2.89Å; N258-K262 CarbonylContact O-C 3.55Å; N258-G263 CarbonylContact O-C 3.6Å; N258-G263 PolarHBondContact O-N 3.48Å; N258-L264 HydrophobicContact CB-CB 4.18Å; N258-L264 WeakPolarHBondContact O-CA 3.49Å; N258-L264 PolarHBondContact O-N 3.1Å
259L86.8Confident87.8Confident52 Ų5265.4 Ų65.427%0.27236%0.356SS..Iπ-helixtrans-73.8-51.3-177.5-179.265.2000113.4N255 H256 I257 V274 T276N255-L259 WeakPolarHBondContact O-CB 3.36Å; N255-L259 PolarHBondContact O-N 2.89Å; H256-L259 PolarHBondContact O-N 2.82Å; H256-L259 VanDerWaalsContact O-N 3.14Å; I257-L259 PolarHBondContact O-N 3.04Å; L259-V274 HydrophobicContact CD1-CB 4.18Å; L259-V274 HydrophobicContact CD1-CG1 3.51Å; L259-T276 HydrophobicContact CB-CG2 4.16Å; L259-T276 HydrophobicContact CD2-CG2 3.42Å; L259-T276 VanDerWaalsContact CD2-CG2 3.42Å; L259-T276 HydrophobicContact CG-CG2 4.37Å
260V85.5Confident88Confident91 Ų9171.3 Ų71.355%0.55238%0.378SS*.Iπ-helixtrans-83.9-44-167.6178.90000111.6H256H256-V260 WeakPolarHBondContact O-CB 3.26Å; H256-V260 PolarHBondContact O-N 2.84Å
261H87.8Confident88.2Confident57 Ų5768.4 Ų68.426%0.26436%0.36SS..Iπ-helixtrans-95.1-33.8-171.9-68.6-83.4000112.8E242 C243 H256 I257E242-H261 WeakPolarHBondContact CB-CE1 3.35Å; E242-H261 VanDerWaalsContact CB-ND1 3.33Å; E242-H261 WeakPolarHBondContact CB-ND1 3.36Å; E242-H261 IonicContact OE1-CG 3.27Å; E242-H261 WeakPolarHBondContact OE2-CB 3.23Å; E242-H261 IonicContact OE2-CE1 3.83Å; E242-H261 IonicContact OE2-CG 2.79Å; E242-H261 VanDerWaalsContact OE2-CG 3.27Å; E242-H261 IonicContact OE2-ND1 3.8Å; E242-H261 PolarHBondContact OE2-ND1 3.02Å; C243-H261 PolarHBondContact SG-NE2 2.9Å; C243-H261 VanDerWaalsContact SG-NE2 3.44Å; H256-H261 AromaticContact CE1-NE2 3.93Å; H256-H261 AromaticContact NE2-CD2 3.58Å; H256-H261 AromaticContact NE2-NE2 3.39Å; H256-H261 PolarHBondContact NE2-NE2 3.49Å; I257-H261 HydrophobicContact CG2-CB 4.36Å; I257-H261 WeakPolarHBondContact O-CA 3.4Å; I257-H261 WeakPolarHBondContact O-CB 3.33Å; I257-H261 PolarHBondContact O-N 3.32Å
262K89.3Confident88.3Confident126 Ų12672.1 Ų72.155%0.54838%0.375SS..SBendtrans-108.2-9.8-175.6-56.7-175.6176.9-178.60114.8I257 N258 L264I257-K262 HydrophobicContact CG2-CD 4.08Å; I257-K262 HydrophobicContact CG2-CG 4.26Å; I257-K262 PolarHBondContact O-N 3.3Å; N258-K262 CarbonylContact O-C 3.55Å; K262-L264 HydrophobicContact CB-CB 4.35Å; K262-L264 HydrophobicContact CB-CD1 3.87Å; K262-L264 HydrophobicContact CB-CG 3.79Å; K262-L264 HydrophobicContact CD-CD1 4.19Å; K262-L264 PolarHBondContact O-N 3.29Å; K262-L264 VanDerWaalsContact O-N 3.11Å
263G82.6Confident88.3Confident57 Ų5776.5 Ų76.559%0.58839%0.389SS*.  trans64.18.5-173.700000115.2N258 G265N258-G263 CarbonylContact O-C 3.6Å; N258-G263 PolarHBondContact O-N 3.48Å; G263-G265 PolarHBondContact O-N 2.88Å
264L87.3Confident88.3Confident112 Ų11278.5 Ų78.559%0.58640%0.402SS*.  trans-80.848.9-178.9-60.6177.7000112.3N258 K262N258-L264 HydrophobicContact CB-CB 4.18Å; N258-L264 WeakPolarHBondContact O-CA 3.49Å; N258-L264 PolarHBondContact O-N 3.1Å; K262-L264 HydrophobicContact CB-CB 4.35Å; K262-L264 HydrophobicContact CB-CD1 3.87Å; K262-L264 HydrophobicContact CB-CG 3.79Å; K262-L264 HydrophobicContact CD-CD1 4.19Å; K262-L264 PolarHBondContact O-N 3.29Å; K262-L264 VanDerWaalsContact O-N 3.11Å
265G87.1Confident88.1Confident21 Ų2173.9 Ų73.922%0.21638%0.382CS..SBendtrans-91.3169.3170.800000112.7G263 Q267G263-G265 PolarHBondContact O-N 2.88Å; G265-Q267 PolarHBondContact O-N 3.42Å
266F86.9Confident88Confident82 Ų8274.3 Ų74.336%0.3639%0.387SS..EExtended strand (participates in β ladder)trans-84.399.8174.6-60.5-83.2000109.2F275 R278 L281F266-F275 HydrophobicContact CB-CB 4.4Å; F266-F275 PolarHBondContact N-O 2.83Å; F266-F275 PolarHBondContact O-N 3.05Å; F266-R278 HydrophobicContact CD1-CB 4.01Å; F266-R278 HydrophobicContact CD1-CG 4.39Å; F266-R278 HydrophobicContact CD2-CB 4.42Å; F266-R278 VanDerWaalsContact CD2-N 3.34Å; F266-R278 HydrophobicContact CE1-CB 3.85Å; F266-R278 HydrophobicContact CE1-CG 4.39Å; F266-R278 HydrophobicContact CE2-CB 4.27Å; F266-R278 HydrophobicContact CG-CB 4.3Å; F266-R278 HydrophobicContact CZ-CB 3.99Å; F266-L281 HydrophobicContact CB-CB 4.16Å; F266-L281 HydrophobicContact CB-CD2 3.79Å
267Q91Very high87.7Confident89 Ų8976.8 Ų76.842%0.41640%0.399SS..EExtended strand (participates in β ladder)trans-74.6143176.7-175.7173.7-0.900111.3G265 V274 L281G265-Q267 PolarHBondContact O-N 3.42Å; Q267-V274 HydrophobicContact CB-CG2 4.28Å; Q267-V274 HydrophobicContact CG-CG2 4.32Å; Q267-L281 VanDerWaalsContact O-CD2 3.31Å; Q267-L281 WeakPolarHBondContact O-CD2 3.26Å
268C90.1Very high87.7Confident6 Ų682.8 Ų82.84%0.04142%0.419CS..  trans-77.1140172.2178.80000112.4Y270 C271 K273 F275 L281 E285C268-Y270 VanDerWaalsContact C-N 3.27Å; C268-Y270 PolarHBondContact O-N 2.79Å; C268-Y270 PolarHBondContact SG-N 3.33Å; C268-Y270 VanDerWaalsContact SG-N 3.41Å; C268-C271 WeakPolarHBondContact CB-O 3.44Å; C268-K273 PolarHBondContact N-O 2.82Å; C268-F275 HydrophobicContact CB-CE2 4.43Å; C268-L281 VanDerWaalsContact CA-CD1 3.49Å; C268-L281 HydrophobicContact CB-CD1 3.58Å; C268-E285 WeakPolarHBondContact CA-OE1 3.35Å; C268-E285 VanDerWaalsContact SG-CG 3.59Å; C268-E285 PolarHBondContact SG-OE1 3.14Å; C268-E285 VanDerWaalsContact SG-OE1 3.36Å
269H92.1Very high87.6Confident157 Ų15785.9 Ų85.973%0.72743%0.432SS*.SBendtrans-71-23.4-180-57.586.7000113.1E285H269-E285 IonicContact CE1-OE1 3.15Å; H269-E285 IonicContact CG-OE1 3.79Å; H269-E285 PolarHBondContact N-OE1 3.36Å; H269-E285 IonicContact ND1-OE1 3.86Å; H269-E285 PolarHBondContact ND1-OE1 3.09Å; H269-E285 IonicContact ND1-OE2 3.61Å
270Y90.6Very high87.5Confident138 Ų13885.4 Ų85.454%0.54143%0.431SS..SBendtrans-108.1-9.3-173.5-50.9-78.8000113.7C268 E285 H289C268-Y270 VanDerWaalsContact C-N 3.27Å; C268-Y270 PolarHBondContact O-N 2.79Å; C268-Y270 PolarHBondContact SG-N 3.33Å; C268-Y270 VanDerWaalsContact SG-N 3.41Å; Y270-E285 HydrophobicContact CD2-CG 4.19Å; Y270-E285 HydrophobicContact CE2-CB 4.47Å; Y270-E285 HydrophobicContact CE2-CG 4.36Å; Y270-H289 WeakPolarHBondContact CB-ND1 3.46Å; Y270-H289 HydrophobicContact CD2-CB 3.67Å; Y270-H289 AromaticContact CD2-CD2 3.75Å; Y270-H289 AromaticContact CD2-CG 3.7Å; Y270-H289 HydrophobicContact CE2-CB 4.16Å; Y270-H289 HydrophobicContact CG-CB 3.94Å; Y270-H289 AromaticContact CG-CG 3.79Å
271C91.6Very high87.6Confident35 Ų3581.5 Ų81.524%0.23641%0.407CS..SBendtrans-158.7164.4177.6760000112.8C268 K273 H284C268-C271 WeakPolarHBondContact CB-O 3.44Å; C271-K273 PolarHBondContact O-N 3.11Å; C271-H284 PolarHBondContact SG-NE2 3.06Å
272N90Very high87.7Confident152 Ų15281.9 Ų81.981%0.81341%0.41SS*.SBendtrans-74.318.2-175.9-61.1-18.9000115
273K87.3Confident87.5Confident125 Ų12578.7 Ų78.754%0.54340%0.399SS..  trans-81.3135.9176.1-71.6-174.2-179.9-65.60110.9C268 C271 F275C268-K273 PolarHBondContact N-O 2.82Å; C271-K273 PolarHBondContact O-N 3.11Å; K273-F275 HydrophobicContact CB-CE2 3.67Å; K273-F275 HydrophobicContact CB-CZ 3.98Å; K273-F275 HydrophobicContact CD-CZ 4.35Å
274V86.1Confident87.8Confident65 Ų6576.9 Ų76.939%0.39438%0.375SS..EExtended strand (participates in β ladder)trans-119.5135.9178.2-172.10000109.3L259 Q267L259-V274 HydrophobicContact CD1-CB 4.18Å; L259-V274 HydrophobicContact CD1-CG1 3.51Å; Q267-V274 HydrophobicContact CB-CG2 4.28Å; Q267-V274 HydrophobicContact CG-CG2 4.32Å
275F86.4Confident87.8Confident39 Ų3972.6 Ų72.617%0.17135%0.352CS..EExtended strand (participates in β ladder)trans-118.3145.6-172.7-65.5-92.2000111.5F266 C268 K273 Q277 L281 H284F266-F275 HydrophobicContact CB-CB 4.4Å; F266-F275 PolarHBondContact N-O 2.83Å; F266-F275 PolarHBondContact O-N 3.05Å; C268-F275 HydrophobicContact CB-CE2 4.43Å; K273-F275 HydrophobicContact CB-CE2 3.67Å; K273-F275 HydrophobicContact CB-CZ 3.98Å; K273-F275 HydrophobicContact CD-CZ 4.35Å; F275-Q277 VanDerWaalsContact C-N 3.27Å; F275-Q277 PolarHBondContact O-N 3.35Å; F275-L281 HydrophobicContact CB-CB 4.17Å; F275-L281 HydrophobicContact CD2-CB 3.94Å; F275-L281 HydrophobicContact CD2-CD1 3.7Å; F275-L281 HydrophobicContact CD2-CG 4.42Å; F275-L281 HydrophobicContact CE2-CD1 3.88Å; F275-L281 HydrophobicContact CG-CB 4.11Å; F275-H284 HydrophobicContact CE1-CB 3.9Å; F275-H284 HydrophobicContact CE2-CB 4.04Å; F275-H284 AromaticContact CE2-CD2 3.44Å; F275-H284 VanDerWaalsContact CE2-CD2 3.44Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.19Å; F275-H284 AromaticContact CE2-CG 3.77Å; F275-H284 HydrophobicContact CZ-CB 3.45Å; F275-H284 VanDerWaalsContact CZ-CB 3.45Å; F275-H284 AromaticContact CZ-CD2 3.44Å; F275-H284 VanDerWaalsContact CZ-CD2 3.44Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.49Å; F275-H284 AromaticContact CZ-CG 3.28Å; F275-H284 AromaticContact CZ-ND1 3.89Å
276T84.6Confident87.9Confident56 Ų5675 Ų7534%0.34436%0.357SS..SBendtrans-69.1-24.2174.549.60000113.2L259L259-T276 HydrophobicContact CB-CG2 4.16Å; L259-T276 HydrophobicContact CD2-CG2 3.42Å; L259-T276 VanDerWaalsContact CD2-CG2 3.42Å; L259-T276 HydrophobicContact CG-CG2 4.37Å
277Q82.1Confident88Confident73 Ų7371.8 Ų71.834%0.34135%0.345SS..SBendtrans-140.8131-168.2-66.9177.8-6.800112N255 F275 H279 T280 L281N255-Q277 PolarHBondContact ND2-NE2 3.41Å; F275-Q277 VanDerWaalsContact C-N 3.27Å; F275-Q277 PolarHBondContact O-N 3.35Å; Q277-H279 VanDerWaalsContact C-N 3.28Å; Q277-H279 PolarHBondContact O-N 3.41Å; Q277-H279 VanDerWaalsContact O-N 3.16Å; Q277-H279 PolarHBondContact OE1-CE1 2.91Å; Q277-T280 HydrophobicContact CB-CG2 4.27Å; Q277-T280 PolarHBondContact O-N 3.32Å; Q277-T280 PolarHBondContact O-OG1 2.74Å; Q277-L281 PolarHBondContact O-N 3.11Å
278R87.9Confident87.8Confident161 Ų16171.9 Ų71.961%0.60835%0.351SS*.Hα-helixtrans-52.2-40.5-176.6-174.4176.7174.683.9-0.7113.9F266 T280 L281 I282F266-R278 HydrophobicContact CD1-CB 4.01Å; F266-R278 HydrophobicContact CD1-CG 4.39Å; F266-R278 HydrophobicContact CD2-CB 4.42Å; F266-R278 VanDerWaalsContact CD2-N 3.34Å; F266-R278 HydrophobicContact CE1-CB 3.85Å; F266-R278 HydrophobicContact CE1-CG 4.39Å; F266-R278 HydrophobicContact CE2-CB 4.27Å; F266-R278 HydrophobicContact CG-CB 4.3Å; F266-R278 HydrophobicContact CZ-CB 3.99Å; R278-T280 VanDerWaalsContact C-N 3.31Å; R278-T280 PolarHBondContact O-N 2.96Å; R278-L281 WeakPolarHBondContact O-CB 3.32Å; R278-L281 PolarHBondContact O-N 3Å; R278-I282 HydrophobicContact CG-CD1 4.07Å; R278-I282 WeakPolarHBondContact O-CG1 3.49Å; R278-I282 PolarHBondContact O-N 3.45Å
279H86.2Confident87.8Confident109 Ų10974.9 Ų74.951%0.50537%0.365SS..Hα-helixtrans-67.2-31.9-179.972.5-102.8000112.7Q277 I282 I283Q277-H279 VanDerWaalsContact C-N 3.28Å; Q277-H279 PolarHBondContact O-N 3.41Å; Q277-H279 VanDerWaalsContact O-N 3.16Å; Q277-H279 PolarHBondContact OE1-CE1 2.91Å; H279-I282 PolarHBondContact O-N 3.36Å; H279-I283 WeakPolarHBondContact O-CG1 3.4Å; H279-I283 PolarHBondContact O-N 3.5Å
280T85.6Confident87.6Confident42 Ų4273 Ų7326%0.25836%0.355SS..Hα-helixtrans-71.2-33175.463.70000111.7Q277 R278 H284Q277-T280 HydrophobicContact CB-CG2 4.27Å; Q277-T280 PolarHBondContact O-N 3.32Å; Q277-T280 PolarHBondContact O-OG1 2.74Å; R278-T280 VanDerWaalsContact C-N 3.31Å; R278-T280 PolarHBondContact O-N 2.96Å; T280-H284 WeakPolarHBondContact O-CB 3.35Å; T280-H284 PolarHBondContact O-N 3.1Å
281L86.6Confident87.3Confident9 Ų969 Ų695%0.04735%0.354CS..Hα-helixtrans-64.5-48.5169.3171.362.2000111.5F266 Q267 C268 F275 Q277 R278 I283 H284 E285F266-L281 HydrophobicContact CB-CB 4.16Å; F266-L281 HydrophobicContact CB-CD2 3.79Å; Q267-L281 VanDerWaalsContact O-CD2 3.31Å; Q267-L281 WeakPolarHBondContact O-CD2 3.26Å; C268-L281 VanDerWaalsContact CA-CD1 3.49Å; C268-L281 HydrophobicContact CB-CD1 3.58Å; F275-L281 HydrophobicContact CB-CB 4.17Å; F275-L281 HydrophobicContact CD2-CB 3.94Å; F275-L281 HydrophobicContact CD2-CD1 3.7Å; F275-L281 HydrophobicContact CD2-CG 4.42Å; F275-L281 HydrophobicContact CE2-CD1 3.88Å; F275-L281 HydrophobicContact CG-CB 4.11Å; Q277-L281 PolarHBondContact O-N 3.11Å; R278-L281 WeakPolarHBondContact O-CB 3.32Å; R278-L281 PolarHBondContact O-N 3Å; L281-I283 VanDerWaalsContact C-N 3.35Å; L281-I283 PolarHBondContact O-N 3.36Å; L281-H284 WeakPolarHBondContact O-CA 3.43Å; L281-H284 WeakPolarHBondContact O-CB 3.15Å; L281-H284 PolarHBondContact O-N 3.43Å; L281-H284 VanDerWaalsContact O-N 3.08Å; L281-E285 HydrophobicContact CD1-CG 3.81Å; L281-E285 HydrophobicContact CG-CG 4.39Å; L281-E285 PolarHBondContact O-N 3.47Å
282I89.5Confident87Confident65 Ų6571.7 Ų71.733%0.33337%0.366SS..Hα-helixtrans-57.9-48.6-179.8-68.4165.8000110.5R278 H279 H284 E285 E286R278-I282 HydrophobicContact CG-CD1 4.07Å; R278-I282 WeakPolarHBondContact O-CG1 3.49Å; R278-I282 PolarHBondContact O-N 3.45Å; H279-I282 PolarHBondContact O-N 3.36Å; I282-H284 VanDerWaalsContact C-N 3.29Å; I282-H284 PolarHBondContact O-N 3.3Å; I282-E285 PolarHBondContact O-N 3.07Å; I282-E286 HydrophobicContact CG2-CG 4.35Å; I282-E286 WeakPolarHBondContact O-CB 3.29Å; I282-E286 WeakPolarHBondContact O-CG 3.14Å; I282-E286 PolarHBondContact O-N 3.05Å
283I86.2Confident87Confident59 Ų5969.3 Ų69.330%0.30335%0.348SS..Hα-helixtrans-57.7-42.9175.5-72.4167.2000111.1H279 L281 C287 A304H279-I283 WeakPolarHBondContact O-CG1 3.4Å; H279-I283 PolarHBondContact O-N 3.5Å; L281-I283 VanDerWaalsContact C-N 3.35Å; L281-I283 PolarHBondContact O-N 3.36Å; I283-C287 WeakPolarHBondContact O-CB 3.21Å; I283-C287 PolarHBondContact O-N 3.22Å; I283-C287 PolarHBondContact O-SG 2.94Å; I283-A304 VanDerWaalsContact CG2-O 3.28Å; I283-A304 WeakPolarHBondContact CG2-O 3.46Å
284H87.7Confident87Confident20 Ų2066 Ų669%0.09334%0.336CS..Hα-helixtrans-61.7-47.5176.3168.465000112.3C271 F275 T280 L281 I282 C287 V288 H289C271-H284 PolarHBondContact SG-NE2 3.06Å; F275-H284 HydrophobicContact CE1-CB 3.9Å; F275-H284 HydrophobicContact CE2-CB 4.04Å; F275-H284 AromaticContact CE2-CD2 3.44Å; F275-H284 VanDerWaalsContact CE2-CD2 3.44Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.19Å; F275-H284 AromaticContact CE2-CG 3.77Å; F275-H284 HydrophobicContact CZ-CB 3.45Å; F275-H284 VanDerWaalsContact CZ-CB 3.45Å; F275-H284 AromaticContact CZ-CD2 3.44Å; F275-H284 VanDerWaalsContact CZ-CD2 3.44Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.49Å; F275-H284 AromaticContact CZ-CG 3.28Å; F275-H284 AromaticContact CZ-ND1 3.89Å; T280-H284 WeakPolarHBondContact O-CB 3.35Å; T280-H284 PolarHBondContact O-N 3.1Å; L281-H284 WeakPolarHBondContact O-CA 3.43Å; L281-H284 WeakPolarHBondContact O-CB 3.15Å; L281-H284 PolarHBondContact O-N 3.43Å; L281-H284 VanDerWaalsContact O-N 3.08Å; I282-H284 VanDerWaalsContact C-N 3.29Å; I282-H284 PolarHBondContact O-N 3.3Å; H284-C287 PolarHBondContact O-N 3.19Å; H284-V288 WeakPolarHBondContact ND1-CG2 3.48Å; H284-V288 VanDerWaalsContact O-CB 3.25Å; H284-V288 WeakPolarHBondContact O-CB 3.3Å; H284-V288 WeakPolarHBondContact O-CG2 3.16Å; H284-V288 PolarHBondContact O-N 2.85Å; H284-H289 AromaticContact CE1-NE2 3.75Å; H284-H289 AromaticContact NE2-CD2 3.8Å; H284-H289 AromaticContact NE2-NE2 3.3Å; H284-H289 PolarHBondContact NE2-NE2 3.47Å
285E88Confident87.2Confident21 Ų2165.5 Ų65.510%0.09834%0.335CS..Iπ-helixtrans-64.6-43.6180-70.9-174.7156.300112.3C268 H269 Y270 L281 I282 H289 K290C268-E285 WeakPolarHBondContact CA-OE1 3.35Å; C268-E285 VanDerWaalsContact SG-CG 3.59Å; C268-E285 PolarHBondContact SG-OE1 3.14Å; C268-E285 VanDerWaalsContact SG-OE1 3.36Å; H269-E285 IonicContact CE1-OE1 3.15Å; H269-E285 IonicContact CG-OE1 3.79Å; H269-E285 PolarHBondContact N-OE1 3.36Å; H269-E285 IonicContact ND1-OE1 3.86Å; H269-E285 PolarHBondContact ND1-OE1 3.09Å; H269-E285 IonicContact ND1-OE2 3.61Å; Y270-E285 HydrophobicContact CD2-CG 4.19Å; Y270-E285 HydrophobicContact CE2-CB 4.47Å; Y270-E285 HydrophobicContact CE2-CG 4.36Å; L281-E285 HydrophobicContact CD1-CG 3.81Å; L281-E285 HydrophobicContact CG-CG 4.39Å; L281-E285 PolarHBondContact O-N 3.47Å; I282-E285 PolarHBondContact O-N 3.07Å; E285-H289 WeakPolarHBondContact O-CB 3.45Å; E285-H289 PolarHBondContact O-N 2.9Å; E285-H289 VanDerWaalsContact O-N 3.1Å; E285-K290 PolarHBondContact O-N 2.92Å
286E89.9Confident87.4Confident72 Ų7264.1 Ų64.134%0.33633%0.331SS..Iπ-helixtrans-59.3-49.3173.9-74177.7171.100111.8I282 K290 G291 I292I282-E286 HydrophobicContact CG2-CG 4.35Å; I282-E286 WeakPolarHBondContact O-CB 3.29Å; I282-E286 WeakPolarHBondContact O-CG 3.14Å; I282-E286 PolarHBondContact O-N 3.05Å; E286-K290 CarbonylContact O-C 3.59Å; E286-K290 WeakPolarHBondContact O-CB 3.47Å; E286-K290 PolarHBondContact O-N 3.2Å; E286-G291 PolarHBondContact O-N 3.2Å; E286-I292 HydrophobicContact CB-CB 4.17Å; E286-I292 HydrophobicContact CG-CD1 4.4Å; E286-I292 PolarHBondContact O-N 3.31Å
287C87.9Confident87.8Confident14 Ų1468.6 Ų68.610%0.09535%0.352CS..Iπ-helixtrans-84.3-30.3-169.1-61.40000114.8I283 H284 I292 A304I283-C287 WeakPolarHBondContact O-CB 3.21Å; I283-C287 PolarHBondContact O-N 3.22Å; I283-C287 PolarHBondContact O-SG 2.94Å; H284-C287 PolarHBondContact O-N 3.19Å; C287-I292 WeakPolarHBondContact CA-O 3.4Å; C287-I292 PolarHBondContact SG-O 3.43Å; C287-A304 HydrophobicContact CB-CB 3.94Å; C287-A304 WeakPolarHBondContact SG-CA 3.49Å; C287-A304 VanDerWaalsContact SG-CB 3.6Å; C287-A304 PolarHBondContact SG-O 3.41Å
288V87.1Confident88.1Confident91 Ų9171 Ų7155%0.55236%0.363SS*.Iπ-helixtrans-98.9-40.1-175.9-178.10000111.6H284H284-V288 WeakPolarHBondContact ND1-CG2 3.48Å; H284-V288 VanDerWaalsContact O-CB 3.25Å; H284-V288 WeakPolarHBondContact O-CB 3.3Å; H284-V288 WeakPolarHBondContact O-CG2 3.16Å; H284-V288 PolarHBondContact O-N 2.85Å
289H89.5Confident88.3Confident69 Ų6965.4 Ų65.432%0.31935%0.348SS..Iπ-helixtrans-103.5-34-172.9-59.7-64.1000113.1Y270 H284 E285Y270-H289 WeakPolarHBondContact CB-ND1 3.46Å; Y270-H289 HydrophobicContact CD2-CB 3.67Å; Y270-H289 AromaticContact CD2-CD2 3.75Å; Y270-H289 AromaticContact CD2-CG 3.7Å; Y270-H289 HydrophobicContact CE2-CB 4.16Å; Y270-H289 HydrophobicContact CG-CB 3.94Å; Y270-H289 AromaticContact CG-CG 3.79Å; H284-H289 AromaticContact CE1-NE2 3.75Å; H284-H289 AromaticContact NE2-CD2 3.8Å; H284-H289 AromaticContact NE2-NE2 3.3Å; H284-H289 PolarHBondContact NE2-NE2 3.47Å; E285-H289 WeakPolarHBondContact O-CB 3.45Å; E285-H289 PolarHBondContact O-N 2.9Å; E285-H289 VanDerWaalsContact O-N 3.1Å
290K89.4Confident88.5Confident119 Ų11966.1 Ų66.152%0.51737%0.365SS..SBendtrans-95.7-8.8175.2-54.6178.4-177175.10114E285 E286 I292E285-K290 PolarHBondContact O-N 2.92Å; E286-K290 CarbonylContact O-C 3.59Å; E286-K290 WeakPolarHBondContact O-CB 3.47Å; E286-K290 PolarHBondContact O-N 3.2Å; K290-I292 HydrophobicContact CB-CD1 3.82Å; K290-I292 HydrophobicContact CB-CG1 3.89Å; K290-I292 HydrophobicContact CD-CD1 4.02Å; K290-I292 PolarHBondContact O-N 2.95Å; K290-I292 VanDerWaalsContact O-N 3.15Å
291G84.7Confident88.6Confident52 Ų5268.8 Ų68.854%0.53637%0.373SS..  trans65.89.1-17700000115.3E286 K293E286-G291 PolarHBondContact O-N 3.2Å; G291-K293 PolarHBondContact O-N 3.38Å
292I85.3Confident88.7Confident93 Ų9374.2 Ų74.248%0.47740%0.397SS..  trans-71113.6-180-61.1170.4000108E286 C287 K290E286-I292 HydrophobicContact CB-CB 4.17Å; E286-I292 HydrophobicContact CG-CD1 4.4Å; E286-I292 PolarHBondContact O-N 3.31Å; C287-I292 WeakPolarHBondContact CA-O 3.4Å; C287-I292 PolarHBondContact SG-O 3.43Å; K290-I292 HydrophobicContact CB-CD1 3.82Å; K290-I292 HydrophobicContact CB-CG1 3.89Å; K290-I292 HydrophobicContact CD-CD1 4.02Å; K290-I292 PolarHBondContact O-N 2.95Å; K290-I292 VanDerWaalsContact O-N 3.15Å
293K89.1Confident88.6Confident101 Ų10171.9 Ų71.944%0.43938%0.384SS..  trans-135.8145.6178.5-64.6-176.7-178.2-177.50109.9G291 S295 K302 F303G291-K293 PolarHBondContact O-N 3.38Å; K293-S295 PolarHBondContact O-N 3.47Å; K293-K302 HydrophobicContact CB-CB 3.68Å; K293-K302 HydrophobicContact CD-CB 4.28Å; K293-F303 CarbonylContact C-O 3.37Å; K293-F303 WeakPolarHBondContact CA-O 3.07Å
294I87.2Confident88.5Confident55 Ų5571 Ų7128%0.28239%0.385SS..EExtended strand (participates in β ladder)trans-85.6115.4-178-41.5-176.1000108.9K302 F303 R306 L309I294-K302 CarbonylContact O-C 3.52Å; I294-K302 WeakPolarHBondContact O-CA 3.25Å; I294-F303 PolarHBondContact N-O 3.3Å; I294-F303 PolarHBondContact O-N 3.3Å; I294-R306 HydrophobicContact CD1-CB 4.3Å; I294-R306 HydrophobicContact CD1-CG 3.41Å; I294-R306 VanDerWaalsContact CD1-CG 3.41Å; I294-L309 HydrophobicContact CB-CD2 4.21Å; I294-L309 HydrophobicContact CG2-CD2 3.55Å
295S91Very high88.2Confident56 Ų5670.8 Ų70.839%0.39239%0.386SS..EExtended strand (participates in β ladder)trans-68.1149.6177.8-55.90000112.1K293 L309K293-S295 PolarHBondContact O-N 3.47Å; S295-L309 WeakPolarHBondContact O-CD2 3.42Å
296C90.6Very high88.1Confident10 Ų1079 Ų797%0.06842%0.417CS..  trans-80.1143.4163.1-172.10000110.4H298 C299 K301 F303 L309C296-H298 VanDerWaalsContact C-N 3.3Å; C296-H298 PolarHBondContact SG-N 2.9Å; C296-C299 WeakPolarHBondContact CB-O 3.25Å; C296-K301 PolarHBondContact N-O 2.87Å; C296-F303 HydrophobicContact CB-CE2 4.25Å; C296-L309 HydrophobicContact CB-CD1 3.69Å
297N93Very high87.6Confident149 Ų14981.4 Ų81.480%0.79742%0.423SS*.SBendtrans-83.5-8.7178.4-63.70.6000112.7
298H88.3Confident87.2Confident125 Ų12585.7 Ų85.758%0.57944%0.437SS*.SBendtrans-112.1-10.8-177.8-56.5-74.2000113.5C296 H317C296-H298 VanDerWaalsContact C-N 3.3Å; C296-H298 PolarHBondContact SG-N 2.9Å; H298-H317 HydrophobicContact CB-CB 4.42Å; H298-H317 VanDerWaalsContact CB-CE1 3.44Å; H298-H317 WeakPolarHBondContact CB-CE1 3.46Å; H298-H317 WeakPolarHBondContact CB-ND1 3.5Å
299C91.1Very high87.1Confident42 Ų4282.4 Ų82.428%0.28442%0.417SS..SBendtrans-158.9166.4174.5730000111.8C296 K301 H312 H317C296-C299 WeakPolarHBondContact CB-O 3.25Å; C299-K301 PolarHBondContact O-N 3.15Å; C299-H312 PolarHBondContact SG-NE2 3.24Å; C299-H317 PolarHBondContact SG-NE2 3.39Å
300S90.8Very high87Confident124 Ų12486 Ų8687%0.86743%0.432SS*.SBendtrans-69.85.1-176.2-41.20000115.8
301K88.8Confident86.6Confident98 Ų9882.4 Ų82.443%0.42642%0.416SS..  trans-75.4145.3-179.1-66.1-163177.8-165.60111.6C296 C299 F303C296-K301 PolarHBondContact N-O 2.87Å; C299-K301 PolarHBondContact O-N 3.15Å; K301-F303 HydrophobicContact CB-CE2 3.63Å; K301-F303 HydrophobicContact CB-CZ 3.73Å; K301-F303 HydrophobicContact CD-CZ 4.34Å
302K88Confident86.6Confident124 Ų12480.5 Ų80.554%0.53939%0.394SS..EExtended strand (participates in β ladder)trans-128.1137.6179.9-53.7-173.2178.3-179.10110.8K293 I294K293-K302 HydrophobicContact CB-CB 3.68Å; K293-K302 HydrophobicContact CD-CB 4.28Å; I294-K302 CarbonylContact O-C 3.52Å; I294-K302 WeakPolarHBondContact O-CA 3.25Å
303F86.3Confident86.6Confident16 Ų1677.7 Ų77.77%0.0738%0.379CS..EExtended strand (participates in β ladder)trans-121.4151-167.9-63.6-87.4000112.6K293 I294 C296 K301 S305 L309 H312K293-F303 CarbonylContact C-O 3.37Å; K293-F303 WeakPolarHBondContact CA-O 3.07Å; I294-F303 PolarHBondContact N-O 3.3Å; I294-F303 PolarHBondContact O-N 3.3Å; C296-F303 HydrophobicContact CB-CE2 4.25Å; K301-F303 HydrophobicContact CB-CE2 3.63Å; K301-F303 HydrophobicContact CB-CZ 3.73Å; K301-F303 HydrophobicContact CD-CZ 4.34Å; F303-S305 VanDerWaalsContact C-N 3.31Å; F303-S305 PolarHBondContact O-N 3.03Å; F303-L309 HydrophobicContact CB-CB 4.05Å; F303-L309 HydrophobicContact CD2-CB 4.06Å; F303-L309 HydrophobicContact CD2-CD1 3.64Å; F303-L309 HydrophobicContact CD2-CG 4.43Å; F303-L309 HydrophobicContact CE2-CD1 3.98Å; F303-L309 HydrophobicContact CG-CB 4.12Å; F303-H312 HydrophobicContact CD1-CB 4.41Å; F303-H312 HydrophobicContact CE1-CB 3.64Å; F303-H312 AromaticContact CE1-CG 3.85Å; F303-H312 HydrophobicContact CE2-CB 4.12Å; F303-H312 AromaticContact CE2-CD2 3.19Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.37Å; F303-H312 AromaticContact CE2-CG 3.71Å; F303-H312 AromaticContact CE2-NE2 3.8Å; F303-H312 HydrophobicContact CZ-CB 3.49Å; F303-H312 VanDerWaalsContact CZ-CB 3.49Å; F303-H312 AromaticContact CZ-CD2 3.15Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.49Å; F303-H312 AromaticContact CZ-CG 3.16Å; F303-H312 AromaticContact CZ-ND1 3.78Å; F303-H312 AromaticContact CZ-NE2 3.73Å
304A83.9Confident86.3Confident39 Ų3974.7 Ų74.732%0.32237%0.369SS..SBendtrans-75.1-16179.400000114.2I283 C287I283-A304 VanDerWaalsContact CG2-O 3.28Å; I283-A304 WeakPolarHBondContact CG2-O 3.46Å; C287-A304 HydrophobicContact CB-CB 3.94Å; C287-A304 WeakPolarHBondContact SG-CA 3.49Å; C287-A304 VanDerWaalsContact SG-CB 3.6Å; C287-A304 PolarHBondContact SG-O 3.41Å
305S82.6Confident85.9Confident17 Ų1773.5 Ų73.512%0.11936%0.363CS..SBendtrans-151.2158.5179.380.70000112.1F303 W307 Y308 L309F303-S305 VanDerWaalsContact C-N 3.31Å; F303-S305 PolarHBondContact O-N 3.03Å; S305-W307 PolarHBondContact O-N 3.05Å; S305-W307 PolarHBondContact OG-N 3.11Å; S305-Y308 PolarHBondContact O-N 3.23Å; S305-Y308 WeakPolarHBondContact OG-CD2 3.33Å; S305-Y308 PolarHBondContact OG-N 3.5Å; S305-L309 PolarHBondContact O-N 2.83Å
306R84.7Confident85.4Confident194 Ų19474.9 Ų74.973%0.73237%0.369SS*.Hα-helixtrans-60.4-29.2172.9-71.7-174.5168.284.5-2.4112.1I294 K310I294-R306 HydrophobicContact CD1-CB 4.3Å; I294-R306 HydrophobicContact CD1-CG 3.41Å; I294-R306 VanDerWaalsContact CD1-CG 3.41Å; R306-K310 WeakPolarHBondContact O-CB 3.45Å; R306-K310 PolarHBondContact O-N 3.04Å
307W80.4Confident85.2Confident122 Ų12277.6 Ų77.646%0.46238%0.381SS..Hα-helixtrans-64.8-53.8174.9179.2-87.9000111.2T168 S305 L309 K310 E311T168-W307 HydrophobicContact CG2-CH2 4.26Å; S305-W307 PolarHBondContact O-N 3.05Å; S305-W307 PolarHBondContact OG-N 3.11Å; W307-L309 VanDerWaalsContact C-N 3.33Å; W307-L309 PolarHBondContact O-N 2.87Å; W307-K310 PolarHBondContact O-N 3.17Å; W307-K310 VanDerWaalsContact O-N 3.15Å; W307-E311 WeakPolarHBondContact O-CB 3.38Å; W307-E311 PolarHBondContact O-N 3.35Å
308Y80.1Confident84.9Confident103 Ų10375.4 Ų75.440%0.40437%0.365SS..Hα-helixtrans-65-36-179.3-63.7-52.7000112.5S305 H312S305-Y308 PolarHBondContact O-N 3.23Å; S305-Y308 WeakPolarHBondContact OG-CD2 3.33Å; S305-Y308 PolarHBondContact OG-N 3.5Å; Y308-H312 VanDerWaalsContact O-CB 3.29Å; Y308-H312 WeakPolarHBondContact O-CB 3.2Å; Y308-H312 PolarHBondContact O-N 3.38Å
309L85.1Confident84.3Confident22 Ų2271.9 Ų71.912%0.11536%0.363CS..Hα-helixtrans-62.1-45.8172.2173.559.4000111.7I294 S295 C296 F303 S305 W307 H312 I313I294-L309 HydrophobicContact CB-CD2 4.21Å; I294-L309 HydrophobicContact CG2-CD2 3.55Å; S295-L309 WeakPolarHBondContact O-CD2 3.42Å; C296-L309 HydrophobicContact CB-CD1 3.69Å; F303-L309 HydrophobicContact CB-CB 4.05Å; F303-L309 HydrophobicContact CD2-CB 4.06Å; F303-L309 HydrophobicContact CD2-CD1 3.64Å; F303-L309 HydrophobicContact CD2-CG 4.43Å; F303-L309 HydrophobicContact CE2-CD1 3.98Å; F303-L309 HydrophobicContact CG-CB 4.12Å; S305-L309 PolarHBondContact O-N 2.83Å; W307-L309 VanDerWaalsContact C-N 3.33Å; W307-L309 PolarHBondContact O-N 2.87Å; L309-H312 WeakPolarHBondContact O-CB 3.48Å; L309-H312 PolarHBondContact O-N 3Å; L309-I313 HydrophobicContact CD1-CD1 3.82Å; L309-I313 HydrophobicContact CD1-CG1 4.09Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.45Å
310K86.4Confident83.8Confident146 Ų14674.7 Ų74.764%0.63538%0.375SS*.Hα-helixtrans-63.5-46.8178.9-178.1173.7-179.3173.20111.6R306 W307 H312 I313 T314R306-K310 WeakPolarHBondContact O-CB 3.45Å; R306-K310 PolarHBondContact O-N 3.04Å; W307-K310 PolarHBondContact O-N 3.17Å; W307-K310 VanDerWaalsContact O-N 3.15Å; K310-H312 VanDerWaalsContact C-N 3.31Å; K310-H312 PolarHBondContact O-N 3.28Å; K310-I313 PolarHBondContact O-N 3.19Å; K310-T314 PolarHBondContact O-N 2.78Å; K310-T314 PolarHBondContact O-OG1 3.17Å
311E81.1Confident83.3Confident42 Ų4271.8 Ų71.820%0.19635%0.35CS..Hα-helixtrans-56-46.3174.9179.2168.5-14800110.9W307 I313 T314 I315W307-E311 WeakPolarHBondContact O-CB 3.38Å; W307-E311 PolarHBondContact O-N 3.35Å; E311-I313 PolarHBondContact O-N 3.28Å; E311-T314 PolarHBondContact O-N 3.02Å; E311-I315 HydrophobicContact CG-CD1 3.57Å; E311-I315 WeakPolarHBondContact O-CB 3.25Å; E311-I315 VanDerWaalsContact O-CD1 3.26Å; E311-I315 WeakPolarHBondContact O-CD1 3.44Å; E311-I315 WeakPolarHBondContact O-CG1 3.44Å; E311-I315 PolarHBondContact O-N 3.15Å
312H84.2Confident82.8Confident13 Ų1369.5 Ų69.56%0.0634%0.342CS..Hα-helixtrans-59.1-45.9174163.459.7000113.5C299 F303 Y308 L309 K310 I315 V316 H317C299-H312 PolarHBondContact SG-NE2 3.24Å; F303-H312 HydrophobicContact CD1-CB 4.41Å; F303-H312 HydrophobicContact CE1-CB 3.64Å; F303-H312 AromaticContact CE1-CG 3.85Å; F303-H312 HydrophobicContact CE2-CB 4.12Å; F303-H312 AromaticContact CE2-CD2 3.19Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.37Å; F303-H312 AromaticContact CE2-CG 3.71Å; F303-H312 AromaticContact CE2-NE2 3.8Å; F303-H312 HydrophobicContact CZ-CB 3.49Å; F303-H312 VanDerWaalsContact CZ-CB 3.49Å; F303-H312 AromaticContact CZ-CD2 3.15Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.49Å; F303-H312 AromaticContact CZ-CG 3.16Å; F303-H312 AromaticContact CZ-ND1 3.78Å; F303-H312 AromaticContact CZ-NE2 3.73Å; Y308-H312 VanDerWaalsContact O-CB 3.29Å; Y308-H312 WeakPolarHBondContact O-CB 3.2Å; Y308-H312 PolarHBondContact O-N 3.38Å; L309-H312 WeakPolarHBondContact O-CB 3.48Å; L309-H312 PolarHBondContact O-N 3Å; K310-H312 VanDerWaalsContact C-N 3.31Å; K310-H312 PolarHBondContact O-N 3.28Å; H312-I315 PolarHBondContact O-N 2.85Å; H312-V316 VanDerWaalsContact ND1-CG2 3.35Å; H312-V316 WeakPolarHBondContact ND1-CG2 3.45Å; H312-V316 VanDerWaalsContact O-CB 3.32Å; H312-V316 WeakPolarHBondContact O-CB 3.37Å; H312-V316 WeakPolarHBondContact O-CG2 3.44Å; H312-V316 PolarHBondContact O-N 3Å; H312-H317 AromaticContact CE1-NE2 3.63Å; H312-H317 AromaticContact NE2-CD2 3.77Å; H312-H317 AromaticContact NE2-NE2 3.39Å; H312-H317 PolarHBondContact NE2-NE2 2.96Å
313I85.7Confident82.7Confident34 Ų3470.4 Ų70.417%0.17435%0.346CS..Hα-helixtrans-60.7-49.2178.1-70.5167.5000110.3L309 K310 E311 I315 V316 H317 E318L309-I313 HydrophobicContact CD1-CD1 3.82Å; L309-I313 HydrophobicContact CD1-CG1 4.09Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.45Å; K310-I313 PolarHBondContact O-N 3.19Å; E311-I313 PolarHBondContact O-N 3.28Å; I313-I315 VanDerWaalsContact C-N 3.31Å; I313-I315 PolarHBondContact O-N 2.83Å; I313-V316 PolarHBondContact O-N 3.3Å; I313-H317 HydrophobicContact CG2-CB 4.4Å; I313-H317 WeakPolarHBondContact O-CA 3.46Å; I313-H317 WeakPolarHBondContact O-CB 3.44Å; I313-H317 PolarHBondContact O-N 3.06Å; I313-E318 HydrophobicContact CG2-CG 4.13Å; I313-E318 PolarHBondContact O-N 3.42Å
314T82.9Confident82.5Confident38 Ų3869.9 Ų69.923%0.23334%0.344CS..Hα-helixtrans-60.7-38179.1-66.30000112.7K310 E311 E318 G319 N320K310-T314 PolarHBondContact O-N 2.78Å; K310-T314 PolarHBondContact O-OG1 3.17Å; E311-T314 PolarHBondContact O-N 3.02Å; T314-E318 VanDerWaalsContact CA-OE2 3.24Å; T314-E318 WeakPolarHBondContact CA-OE2 3.47Å; T314-E318 WeakPolarHBondContact CB-OE2 3.35Å; T314-E318 PolarHBondContact OG1-OE2 3.36Å; T314-G319 PolarHBondContact O-N 3.03Å; T314-N320 HydrophobicContact CG2-CB 3.53Å; T314-N320 PolarHBondContact O-N 3.08Å
315I78Confident82.7Confident30 Ų3077.5 Ų77.515%0.15437%0.373CS..Hα-helixtrans-74.4-50.9177.9-67.8162.3000112.4E311 H312 I313 L321 N332E311-I315 HydrophobicContact CG-CD1 3.57Å; E311-I315 WeakPolarHBondContact O-CB 3.25Å; E311-I315 VanDerWaalsContact O-CD1 3.26Å; E311-I315 WeakPolarHBondContact O-CD1 3.44Å; E311-I315 WeakPolarHBondContact O-CG1 3.44Å; E311-I315 PolarHBondContact O-N 3.15Å; H312-I315 PolarHBondContact O-N 2.85Å; I313-I315 VanDerWaalsContact C-N 3.31Å; I313-I315 PolarHBondContact O-N 2.83Å; I315-L321 HydrophobicContact CB-CD2 4.47Å; I315-L321 HydrophobicContact CG1-CD2 4.34Å; I315-L321 HydrophobicContact CG2-CD2 4.14Å; I315-N332 HydrophobicContact CD1-CB 3.49Å; I315-N332 VanDerWaalsContact CD1-CB 3.49Å; I315-N332 HydrophobicContact CG1-CB 3.67Å
316V81.1Confident82.8Confident84 Ų8482.6 Ų82.651%0.50940%0.398SS..Hα-helixtrans-98.4-30.6-162.1-179.50000112.7H312 I313H312-V316 VanDerWaalsContact ND1-CG2 3.35Å; H312-V316 WeakPolarHBondContact ND1-CG2 3.45Å; H312-V316 VanDerWaalsContact O-CB 3.32Å; H312-V316 WeakPolarHBondContact O-CB 3.37Å; H312-V316 WeakPolarHBondContact O-CG2 3.44Å; H312-V316 PolarHBondContact O-N 3Å; I313-V316 PolarHBondContact O-N 3.3Å
317H86.4Confident82.8Confident68 Ų6876.5 Ų76.532%0.31539%0.385SS..THydrogen-bonded Turntrans-109.8-35.4-173.8-63.8-60.2000112.8H298 C299 H312 I313H298-H317 HydrophobicContact CB-CB 4.42Å; H298-H317 VanDerWaalsContact CB-CE1 3.44Å; H298-H317 WeakPolarHBondContact CB-CE1 3.46Å; H298-H317 WeakPolarHBondContact CB-ND1 3.5Å; C299-H317 PolarHBondContact SG-NE2 3.39Å; H312-H317 AromaticContact CE1-NE2 3.63Å; H312-H317 AromaticContact NE2-CD2 3.77Å; H312-H317 AromaticContact NE2-NE2 3.39Å; H312-H317 PolarHBondContact NE2-NE2 2.96Å; I313-H317 HydrophobicContact CG2-CB 4.4Å; I313-H317 WeakPolarHBondContact O-CA 3.46Å; I313-H317 WeakPolarHBondContact O-CB 3.44Å; I313-H317 PolarHBondContact O-N 3.06Å
318E86.8Confident83Confident102 Ų10273 Ų7348%0.47739%0.386SS..SBendtrans-89-20.4174.5-53.8174.5167.700113I313 T314 N320I313-E318 HydrophobicContact CG2-CG 4.13Å; I313-E318 PolarHBondContact O-N 3.42Å; T314-E318 VanDerWaalsContact CA-OE2 3.24Å; T314-E318 WeakPolarHBondContact CA-OE2 3.47Å; T314-E318 WeakPolarHBondContact CB-OE2 3.35Å; T314-E318 PolarHBondContact OG1-OE2 3.36Å; E318-N320 HydrophobicContact CB-CB 4.2Å; E318-N320 VanDerWaalsContact CB-ND2 3.35Å; E318-N320 WeakPolarHBondContact CB-ND2 3.45Å; E318-N320 PolarHBondContact O-N 3.41Å; E318-N320 PolarHBondContact OE2-ND2 3.03Å
319G76.9Confident83Confident52 Ų5275.9 Ų75.954%0.53640%0.397SS..  trans66.316.6-175.600000114.4T314 L321T314-G319 PolarHBondContact O-N 3.03Å; G319-L321 PolarHBondContact O-N 3.2Å
320N78.6Confident82.9Confident100 Ų10077.5 Ų77.554%0.53541%0.41SS..  trans-75.562.6-174.8-83.6-31.8000111.9T314 E318T314-N320 HydrophobicContact CG2-CB 3.53Å; T314-N320 PolarHBondContact O-N 3.08Å; E318-N320 HydrophobicContact CB-CB 4.2Å; E318-N320 VanDerWaalsContact CB-ND2 3.35Å; E318-N320 WeakPolarHBondContact CB-ND2 3.45Å; E318-N320 PolarHBondContact O-N 3.41Å; E318-N320 PolarHBondContact OE2-ND2 3.03Å
321L81.5Confident82.5Confident64 Ų6472 Ų7234%0.33539%0.386SS..PPolyproline II helixtrans-90.5141.6176.9-60.9177.5000111.8I315 G319 F331 N332I315-L321 HydrophobicContact CB-CD2 4.47Å; I315-L321 HydrophobicContact CG1-CD2 4.34Å; I315-L321 HydrophobicContact CG2-CD2 4.14Å; G319-L321 PolarHBondContact O-N 3.2Å; L321-F331 CarbonylContact C-O 3.59Å; L321-F331 WeakPolarHBondContact CA-O 3.46Å; L321-N332 HydrophobicContact CD2-CB 4.26Å
322L78.8Confident82.4Confident50 Ų5072.8 Ų72.826%0.26239%0.391SS..EExtended strand (participates in β ladder)trans-82.3117.1176.2-59.9167.3000109.3S330 F331 S333 H334 L337L322-S330 CarbonylContact O-C 3.51Å; L322-F331 PolarHBondContact N-O 3.49Å; L322-F331 PolarHBondContact O-N 3.1Å; L322-S333 VanDerWaalsContact CD1-C 3.48Å; L322-H334 HydrophobicContact CD1-CB 4.15Å; L322-H334 VanDerWaalsContact CD1-N 3.25Å; L322-L337 HydrophobicContact CB-CD2 3.85Å
323K84.6Confident81.9Confident142 Ų14273.9 Ų73.962%0.61740%0.401SS*.EExtended strand (participates in β ladder)trans-86.9145179.1-63.4-177.1-178.9177.10111.2R329K323-R329 CarbonylContact C-O 3.25Å; K323-R329 WeakPolarHBondContact CA-O 3.35Å
324C83.2Confident81.6Confident6 Ų677 Ų774%0.04141%0.414CS..PPolyproline II helixtrans-79.3120.2164-173.40000109.4L326 C327 G328 R329 F331 L337 H345C324-L326 PolarHBondContact O-N 2.89Å; C324-C327 PolarHBondContact O-N 2.67Å; C324-G328 VanDerWaalsContact O-CA 3.24Å; C324-G328 WeakPolarHBondContact O-CA 3.44Å; C324-G328 PolarHBondContact O-N 2.96Å; C324-R329 PolarHBondContact N-O 3.36Å; C324-F331 HydrophobicContact CB-CE2 4.21Å; C324-L337 HydrophobicContact CB-CD1 3.57Å; C324-H345 VanDerWaalsContact SG-CD2 3.59Å
325E87.4Confident81.2Confident199 Ų19977.9 Ų77.993%0.9342%0.421SS*.THydrogen-bonded Turntrans-63-25.2179.7-66.6166.1-173.400112.7
326L84.5Confident81.2Confident123 Ų12377.9 Ų77.964%0.64443%0.426SS*.THydrogen-bonded Turntrans-87.7-14.4-176-59.3175.6000114.7C324 H345C324-L326 PolarHBondContact O-N 2.89Å; L326-H345 HydrophobicContact CD1-CB 3.55Å
327C86.3Confident81.1Confident66 Ų6675.3 Ų75.345%0.44641%0.409SS..THydrogen-bonded Turntrans-147.87.2178.2670000115.2C324 R329 H340 H345C324-C327 PolarHBondContact O-N 2.67Å; C327-R329 PolarHBondContact O-N 3.02Å; C327-H340 PolarHBondContact SG-NE2 3.42Å; C327-H345 PolarHBondContact SG-NE2 3.19Å
328G83.5Confident80.7Confident48 Ų4876.2 Ų76.250%0.49541%0.41SS..  trans69.8-9.9-178.200000116.1C324 S330C324-G328 VanDerWaalsContact O-CA 3.24Å; C324-G328 WeakPolarHBondContact O-CA 3.44Å; C324-G328 PolarHBondContact O-N 2.96Å; G328-S330 PolarHBondContact O-N 3.41Å
329R79.3Confident80.3Confident165 Ų16575.4 Ų75.462%0.62340%0.403SS*.  trans-64132.5-172.5-167.7168.8-173.5156.15.1112.1K323 C324 C327 F331K323-R329 CarbonylContact C-O 3.25Å; K323-R329 WeakPolarHBondContact CA-O 3.35Å; C324-R329 PolarHBondContact N-O 3.36Å; C327-R329 PolarHBondContact O-N 3.02Å; R329-F331 HydrophobicContact CB-CE2 3.93Å; R329-F331 HydrophobicContact CB-CZ 4.21Å; R329-F331 HydrophobicContact CG-CE2 3.93Å; R329-F331 HydrophobicContact CG-CZ 3.81Å; R329-F331 VanDerWaalsContact O-CD2 3.29Å; R329-F331 WeakPolarHBondContact O-CD2 3.4Å; R329-F331 WeakPolarHBondContact O-CE2 3.24Å
330S84.1Confident80.5Confident55 Ų5573.8 Ų73.839%0.38538%0.381SS..EExtended strand (participates in β ladder)trans-92.7143.5-175.4-59.30000113.2L322 G328L322-S330 CarbonylContact O-C 3.51Å; G328-S330 PolarHBondContact O-N 3.41Å
331F78.7Confident80.6Confident31 Ų3170.5 Ų70.514%0.13637%0.366CS..EExtended strand (participates in β ladder)trans-136.5149.5-177.7-63.1-86.4000112L321 L322 C324 R329 A336 L337 H340L321-F331 CarbonylContact C-O 3.59Å; L321-F331 WeakPolarHBondContact CA-O 3.46Å; L322-F331 PolarHBondContact N-O 3.49Å; L322-F331 PolarHBondContact O-N 3.1Å; C324-F331 HydrophobicContact CB-CE2 4.21Å; R329-F331 HydrophobicContact CB-CE2 3.93Å; R329-F331 HydrophobicContact CB-CZ 4.21Å; R329-F331 HydrophobicContact CG-CE2 3.93Å; R329-F331 HydrophobicContact CG-CZ 3.81Å; R329-F331 VanDerWaalsContact O-CD2 3.29Å; R329-F331 WeakPolarHBondContact O-CD2 3.4Å; R329-F331 WeakPolarHBondContact O-CE2 3.24Å; F331-A336 HydrophobicContact CB-CB 4.32Å; F331-A336 HydrophobicContact CD1-CB 3.97Å; F331-L337 HydrophobicContact CB-CB 4.01Å; F331-L337 HydrophobicContact CD2-CB 3.99Å; F331-L337 HydrophobicContact CD2-CD1 3.67Å; F331-L337 HydrophobicContact CD2-CG 4.39Å; F331-L337 HydrophobicContact CE2-CD1 3.96Å; F331-L337 HydrophobicContact CG-CB 4.05Å; F331-H340 HydrophobicContact CE1-CB 3.66Å; F331-H340 AromaticContact CE1-CG 3.91Å; F331-H340 HydrophobicContact CE2-CB 4.13Å; F331-H340 AromaticContact CE2-CD2 3.31Å; F331-H340 WeakPolarHBondContact CE2-CD2 3.47Å; F331-H340 AromaticContact CE2-CG 3.73Å; F331-H340 AromaticContact CE2-NE2 3.86Å; F331-H340 HydrophobicContact CZ-CB 3.43Å; F331-H340 VanDerWaalsContact CZ-CB 3.43Å; F331-H340 AromaticContact CZ-CD2 3.27Å; F331-H340 WeakPolarHBondContact CZ-CD2 3.37Å; F331-H340 AromaticContact CZ-CG 3.16Å; F331-H340 AromaticContact CZ-ND1 3.69Å; F331-H340 AromaticContact CZ-NE2 3.83Å
332N77Confident80.4Confident59 Ų5970.4 Ų70.432%0.31637%0.366SS..SBendtrans-84-11.9179.661.7-3.5000115I315 L321I315-N332 HydrophobicContact CD1-CB 3.49Å; I315-N332 VanDerWaalsContact CD1-CB 3.49Å; I315-N332 HydrophobicContact CG1-CB 3.67Å; L321-N332 HydrophobicContact CD2-CB 4.26Å
333S74.9Confident80.2Confident36 Ų3669.8 Ų69.825%0.25236%0.362SS..SBendtrans-149.2149-177.765.80000112.2L322 C335 A336 L337L322-S333 VanDerWaalsContact CD1-C 3.48Å; S333-C335 PolarHBondContact O-N 3.31Å; S333-A336 PolarHBondContact O-N 2.86Å; S333-A336 VanDerWaalsContact O-N 3.14Å; S333-A336 VanDerWaalsContact OG-CB 3.3Å; S333-A336 WeakPolarHBondContact OG-CB 3.35Å; S333-A336 PolarHBondContact OG-N 2.98Å; S333-L337 PolarHBondContact O-N 3.24Å
334H78.8Confident79.8Confident99 Ų9966.4 Ų66.446%0.45835%0.353SS..Hα-helixtrans-60.4-30.1175.5-82.5-72.5000112.1L322 R338L322-H334 HydrophobicContact CD1-CB 4.15Å; L322-H334 VanDerWaalsContact CD1-N 3.25Å; H334-R338 WeakPolarHBondContact O-CB 3.5Å; H334-R338 PolarHBondContact O-N 3.08Å
335C75.9Confident79.7Confident57 Ų5769.1 Ų69.139%0.38537%0.365SS..Hα-helixtrans-65.3-47.5174.4-65.70000111.3C163 S333 R338 Y339C163-C335 VanDerWaalsContact SG-SG 3.62Å; S333-C335 PolarHBondContact O-N 3.31Å; C335-R338 PolarHBondContact O-N 2.88Å; C335-Y339 WeakPolarHBondContact O-CB 3.32Å; C335-Y339 PolarHBondContact O-N 2.97Å
336A77Confident79.2Confident30 Ų3065.3 Ų65.325%0.24835%0.346CS..Hα-helixtrans-63.5-43.8177.200000112.1F331 S333 Y339 H340F331-A336 HydrophobicContact CB-CB 4.32Å; F331-A336 HydrophobicContact CD1-CB 3.97Å; S333-A336 PolarHBondContact O-N 2.86Å; S333-A336 VanDerWaalsContact O-N 3.14Å; S333-A336 VanDerWaalsContact OG-CB 3.3Å; S333-A336 WeakPolarHBondContact OG-CB 3.35Å; S333-A336 PolarHBondContact OG-N 2.98Å; A336-Y339 PolarHBondContact O-N 2.99Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 3.02Å
337L79.4Confident78.4Confident29 Ų2965.5 Ų65.515%0.15235%0.348CS..Hα-helixtrans-62.1-46.6175.4172.757.3000112.1L322 C324 F331 S333 Y339 H340 S341L322-L337 HydrophobicContact CB-CD2 3.85Å; C324-L337 HydrophobicContact CB-CD1 3.57Å; F331-L337 HydrophobicContact CB-CB 4.01Å; F331-L337 HydrophobicContact CD2-CB 3.99Å; F331-L337 HydrophobicContact CD2-CD1 3.67Å; F331-L337 HydrophobicContact CD2-CG 4.39Å; F331-L337 HydrophobicContact CE2-CD1 3.96Å; F331-L337 HydrophobicContact CG-CB 4.05Å; S333-L337 PolarHBondContact O-N 3.24Å; L337-Y339 PolarHBondContact O-N 3.28Å; L337-H340 PolarHBondContact O-N 2.96Å; L337-S341 WeakPolarHBondContact O-CB 3.35Å; L337-S341 PolarHBondContact O-N 2.79Å
338R78.4Confident77.4Confident88 Ų8868.7 Ų68.733%0.33236%0.355SS..Hα-helixtrans-63.1-42.4178.2178.8177.2-66.6162.6-1111.9C163 S165 H334 C335 S341 N342C163-R338 PolarHBondContact SG-NH1 2.94Å; S165-R338 PolarHBondContact OG-NH1 3.45Å; S165-R338 PolarHBondContact OG-NH2 3.07Å; H334-R338 WeakPolarHBondContact O-CB 3.5Å; H334-R338 PolarHBondContact O-N 3.08Å; C335-R338 PolarHBondContact O-N 2.88Å; R338-S341 PolarHBondContact O-N 3.35Å; R338-N342 WeakPolarHBondContact O-CB 3.37Å; R338-N342 VanDerWaalsContact O-CG 3.28Å; R338-N342 PolarHBondContact O-N 3.43Å
339Y77.4Confident77.2Confident84 Ų8471.1 Ų71.133%0.32935%0.353SS..Hα-helixtrans-59.3-54.2175.6179.1-100.5000110.3F158 C335 A336 L337 S341 N342 I343 L361F158-Y339 HydrophobicContact CE1-CD2 4.36Å; F158-Y339 AromaticContact CE1-CE2 3.58Å; F158-Y339 HydrophobicContact CE1-CE2 3.58Å; F158-Y339 AromaticContact CZ-CE2 3.58Å; F158-Y339 HydrophobicContact CZ-CE2 3.58Å; F158-Y339 AromaticContact CZ-CZ 3.89Å; C335-Y339 WeakPolarHBondContact O-CB 3.32Å; C335-Y339 PolarHBondContact O-N 2.97Å; A336-Y339 PolarHBondContact O-N 2.99Å; L337-Y339 PolarHBondContact O-N 3.28Å; Y339-S341 PolarHBondContact O-N 3.38Å; Y339-N342 PolarHBondContact O-N 2.87Å; Y339-I343 HydrophobicContact CD1-CD1 3.7Å; Y339-I343 HydrophobicContact CD2-CD1 3.48Å; Y339-I343 VanDerWaalsContact CD2-CD1 3.48Å; Y339-I343 HydrophobicContact CE1-CD1 3.46Å; Y339-I343 VanDerWaalsContact CE1-CD1 3.46Å; Y339-I343 HydrophobicContact CE2-CD1 3.22Å; Y339-I343 HydrophobicContact CG-CD1 3.71Å; Y339-I343 VanDerWaalsContact O-CD1 3.29Å; Y339-I343 WeakPolarHBondContact O-CD1 3.38Å; Y339-I343 WeakPolarHBondContact O-CG1 3.43Å; Y339-I343 PolarHBondContact O-N 2.86Å; Y339-L361 HydrophobicContact CE2-CD2 4.38Å; Y339-L361 WeakPolarHBondContact OH-CD1 3.47Å; Y339-L361 WeakPolarHBondContact OH-CD2 3.33Å
340H81.9Confident77.2Confident19 Ų1966.5 Ų66.59%0.08834%0.337CS..Hα-helixtrans-52.8-49.8174.3160.571.6000112.7C327 F331 A336 L337 N342 I343 V344 H345C327-H340 PolarHBondContact SG-NE2 3.42Å; F331-H340 HydrophobicContact CE1-CB 3.66Å; F331-H340 AromaticContact CE1-CG 3.91Å; F331-H340 HydrophobicContact CE2-CB 4.13Å; F331-H340 AromaticContact CE2-CD2 3.31Å; F331-H340 WeakPolarHBondContact CE2-CD2 3.47Å; F331-H340 AromaticContact CE2-CG 3.73Å; F331-H340 AromaticContact CE2-NE2 3.86Å; F331-H340 HydrophobicContact CZ-CB 3.43Å; F331-H340 VanDerWaalsContact CZ-CB 3.43Å; F331-H340 AromaticContact CZ-CD2 3.27Å; F331-H340 WeakPolarHBondContact CZ-CD2 3.37Å; F331-H340 AromaticContact CZ-CG 3.16Å; F331-H340 AromaticContact CZ-ND1 3.69Å; F331-H340 AromaticContact CZ-NE2 3.83Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 3.02Å; L337-H340 PolarHBondContact O-N 2.96Å; H340-N342 VanDerWaalsContact C-N 3.34Å; H340-N342 PolarHBondContact O-N 3.21Å; H340-I343 PolarHBondContact O-N 3.2Å; H340-I343 VanDerWaalsContact O-N 3.09Å; H340-V344 WeakPolarHBondContact ND1-CG2 3.37Å; H340-V344 WeakPolarHBondContact O-CB 3.45Å; H340-V344 PolarHBondContact O-N 2.74Å; H340-H345 AromaticContact CE1-NE2 3.85Å; H340-H345 AromaticContact NE2-CD2 3.8Å; H340-H345 AromaticContact NE2-NE2 3.49Å; H340-H345 PolarHBondContact NE2-NE2 2.94Å
341S79.7Confident77.4Confident30 Ų3070 Ų7021%0.2135%0.347CS..Iπ-helixtrans-57.4-44.8178.3175.90000112.2L337 R338 Y339 I343 H345 K346L337-S341 WeakPolarHBondContact O-CB 3.35Å; L337-S341 PolarHBondContact O-N 2.79Å; R338-S341 PolarHBondContact O-N 3.35Å; Y339-S341 PolarHBondContact O-N 3.38Å; S341-I343 PolarHBondContact O-N 3.43Å; S341-H345 CarbonylContact O-C 3.58Å; S341-H345 WeakPolarHBondContact O-CA 3.28Å; S341-H345 WeakPolarHBondContact O-CB 3.24Å; S341-H345 PolarHBondContact O-N 3.29Å; S341-K346 PolarHBondContact O-N 3.13Å; S341-K346 VanDerWaalsContact O-N 3.1Å
342N77Confident78Confident62 Ų6268.7 Ų68.733%0.33234%0.342SS..Iπ-helixtrans-66.6-16.5178.5-74-13.3000114.6R338 Y339 H340 K346R338-N342 WeakPolarHBondContact O-CB 3.37Å; R338-N342 VanDerWaalsContact O-CG 3.28Å; R338-N342 PolarHBondContact O-N 3.43Å; Y339-N342 PolarHBondContact O-N 2.87Å; H340-N342 VanDerWaalsContact C-N 3.34Å; H340-N342 PolarHBondContact O-N 3.21Å; N342-K346 WeakPolarHBondContact OD1-CD 3.31Å; N342-K346 WeakPolarHBondContact OD1-CE 3.4Å; N342-K346 PolarHBondContact OD1-NZ 3.41Å
343I74.4Confident78.6Confident37 Ų3770.7 Ų70.719%0.1936%0.358CS..Iπ-helixtrans-114.4-27.8-171.5-71156.3000112.9Y339 H340 S341 R360 L361Y339-I343 HydrophobicContact CD1-CD1 3.7Å; Y339-I343 HydrophobicContact CD2-CD1 3.48Å; Y339-I343 VanDerWaalsContact CD2-CD1 3.48Å; Y339-I343 HydrophobicContact CE1-CD1 3.46Å; Y339-I343 VanDerWaalsContact CE1-CD1 3.46Å; Y339-I343 HydrophobicContact CE2-CD1 3.22Å; Y339-I343 HydrophobicContact CG-CD1 3.71Å; Y339-I343 VanDerWaalsContact O-CD1 3.29Å; Y339-I343 WeakPolarHBondContact O-CD1 3.38Å; Y339-I343 WeakPolarHBondContact O-CG1 3.43Å; Y339-I343 PolarHBondContact O-N 2.86Å; H340-I343 PolarHBondContact O-N 3.2Å; H340-I343 VanDerWaalsContact O-N 3.09Å; S341-I343 PolarHBondContact O-N 3.43Å; I343-R360 HydrophobicContact CG2-CB 4.12Å; I343-L361 HydrophobicContact CD1-CD2 3.3Å; I343-L361 HydrophobicContact CG1-CD2 3.74Å; I343-L361 HydrophobicContact CG2-CD2 3.98Å
344V78.1Confident79.3Confident71 Ų7173.9 Ų73.943%0.4337%0.369SS..Iπ-helixtrans-101.4-34.6179.6-179.50000111.6H340H340-V344 WeakPolarHBondContact ND1-CG2 3.37Å; H340-V344 WeakPolarHBondContact O-CB 3.45Å; H340-V344 PolarHBondContact O-N 2.74Å
345H81.2Confident79.9Confident63 Ų6370.7 Ų70.729%0.29236%0.357SS..Iπ-helixtrans-113.9-16.7-171.6-62.2-61.4000114.7C324 L326 C327 H340 S341C324-H345 VanDerWaalsContact SG-CD2 3.59Å; L326-H345 HydrophobicContact CD1-CB 3.55Å; C327-H345 PolarHBondContact SG-NE2 3.19Å; H340-H345 AromaticContact CE1-NE2 3.85Å; H340-H345 AromaticContact NE2-CD2 3.8Å; H340-H345 AromaticContact NE2-NE2 3.49Å; H340-H345 PolarHBondContact NE2-NE2 2.94Å; S341-H345 CarbonylContact O-C 3.58Å; S341-H345 WeakPolarHBondContact O-CA 3.28Å; S341-H345 WeakPolarHBondContact O-CB 3.24Å; S341-H345 PolarHBondContact O-N 3.29Å
346K75.3Confident80.5Confident120 Ų12073.6 Ų73.652%0.52238%0.375SS..SBendtrans-101.5134.3167.1-60.4-174.8-174.5166.60108.9S341 N342 H348S341-K346 PolarHBondContact O-N 3.13Å; S341-K346 VanDerWaalsContact O-N 3.1Å; N342-K346 WeakPolarHBondContact OD1-CD 3.31Å; N342-K346 WeakPolarHBondContact OD1-CE 3.4Å; N342-K346 PolarHBondContact OD1-NZ 3.41Å; K346-H348 PolarHBondContact O-N 3.39Å
347D68.8Low81Confident127 Ų12778.5 Ų78.568%0.67939%0.391SS*.  trans-80.141.6-175.4-157.220.9000113.4K349D347-K349 VanDerWaalsContact C-N 3.31Å; D347-K349 PolarHBondContact O-N 3.23Å; D347-K349 WeakPolarHBondContact OD1-CE 3.45Å; D347-K349 IonicContact OD1-NZ 2.66Å; D347-K349 PolarHBondContact OD1-NZ 3.45Å; D347-K349 IonicContact OD2-NZ 2.79Å; D347-K349 PolarHBondContact OD2-NZ 3.26Å
348H64.9Low81.3Confident132 Ų13280.5 Ų80.561%0.61140%0.404SS*.  trans-84.574.4-174.8-153-66.1000111K346K346-H348 PolarHBondContact O-N 3.39Å
349K78.4Confident81.5Confident100 Ų10078.3 Ų78.344%0.43540%0.397SS..  trans-81.6134.5179.2-58.7178.7179110.30111.2D347D347-K349 VanDerWaalsContact C-N 3.31Å; D347-K349 PolarHBondContact O-N 3.23Å; D347-K349 WeakPolarHBondContact OD1-CE 3.45Å; D347-K349 IonicContact OD1-NZ 2.66Å; D347-K349 PolarHBondContact OD1-NZ 3.45Å; D347-K349 IonicContact OD2-NZ 2.79Å; D347-K349 PolarHBondContact OD2-NZ 3.26Å
350F80.8Confident81.4Confident68 Ų6882 Ų8230%0.29841%0.411SS..EExtended strand (participates in β ladder)trans-89.9106.5172.4-61.8-89.2000109.3T358 F359 K362 L365F350-T358 WeakPolarHBondContact O-CA 3.36Å; F350-F359 PolarHBondContact N-O 3.35Å; F350-F359 PolarHBondContact O-N 3.49Å; F350-K362 HydrophobicContact CD1-CB 4.21Å; F350-K362 HydrophobicContact CD1-CG 4.39Å; F350-K362 HydrophobicContact CE1-CB 4.05Å; F350-K362 HydrophobicContact CE1-CG 4.41Å; F350-K362 HydrophobicContact CE2-CB 4.44Å; F350-K362 HydrophobicContact CG-CB 4.48Å; F350-K362 HydrophobicContact CZ-CB 4.17Å; F350-L365 HydrophobicContact CB-CB 4.28Å; F350-L365 HydrophobicContact CB-CD2 3.83Å
351Q88Confident81.2Confident128 Ų12882.2 Ų82.260%0.59841%0.412SS*.EExtended strand (participates in β ladder)trans-77.4144.7176.9-174.3169.7-17.700111.6T358 L365Q351-T358 HydrophobicContact CB-CG2 4.03Å; Q351-T358 HydrophobicContact CG-CG2 4.1Å; Q351-L365 WeakPolarHBondContact O-CD2 3.42Å
352C90.5Very high81.3Confident3 Ų385.5 Ų85.52%0.0242%0.423CS..  trans-74.1132.7170.6-173.20000111H354 C355 K357 F359 L365 H373C352-H354 PolarHBondContact O-N 3.17Å; C352-H354 PolarHBondContact SG-N 2.94Å; C352-C355 WeakPolarHBondContact CB-O 3.35Å; C352-K357 PolarHBondContact N-O 3.3Å; C352-F359 HydrophobicContact CB-CE2 4.44Å; C352-L365 HydrophobicContact CB-CD1 3.74Å; C352-H373 VanDerWaalsContact SG-CD2 3.54Å
353P89.6Confident81.5Confident102 Ų10289.1 Ų89.166%0.66244%0.436SS*.THydrogen-bonded Turntrans-69.9-13.1175.628.5-35.1000113.5
354H88.9Confident81.9Confident103 Ų10393.3 Ų93.348%0.47745%0.45SS..THydrogen-bonded Turntrans-112.7-4.3-175.8-52.4-57.2000114.1C352 H373 L376C352-H354 PolarHBondContact O-N 3.17Å; C352-H354 PolarHBondContact SG-N 2.94Å; H354-H373 AromaticContact CD2-CG 3.99Å; H354-L376 HydrophobicContact CB-CD1 4.17Å
355C91.7Very high82.3Confident31 Ų3191 Ų9121%0.20944%0.435CS..SBendtrans-159.9165.5173.972.70000112.2C352 K357 H368 H373C352-C355 WeakPolarHBondContact CB-O 3.35Å; C355-K357 PolarHBondContact O-N 3.22Å; C355-H368 PolarHBondContact SG-NE2 3.16Å; C355-H368 VanDerWaalsContact SG-NE2 3.35Å; C355-H373 PolarHBondContact SG-NE2 3.38Å
356P90.1Very high82.6Confident118 Ų11891.6 Ų91.677%0.76644%0.438SS*.SBendtrans-66.5-1.3-179.6-22.234.6000116
357K87.1Confident83.2Confident134 Ų13487 Ų8758%0.58342%0.424SS*.  trans-71.9135.5-174.9-66.2-167.9176.1-170.80111.5C352 C355 F359C352-K357 PolarHBondContact N-O 3.3Å; C355-K357 PolarHBondContact O-N 3.22Å; K357-F359 HydrophobicContact CB-CE2 3.86Å; K357-F359 HydrophobicContact CB-CZ 3.93Å
358T85.9Confident84.2Confident70 Ų7081.5 Ų81.543%0.42940%0.395SS..EExtended strand (participates in β ladder)trans-118.5143.6179.263.90000111.1F350 Q351F350-T358 WeakPolarHBondContact O-CA 3.36Å; Q351-T358 HydrophobicContact CB-CG2 4.03Å; Q351-T358 HydrophobicContact CG-CG2 4.1Å
359F81.9Confident85.4Confident42 Ų4277.1 Ų77.118%0.18438%0.377CS..EExtended strand (participates in β ladder)trans-127.2140.5-172.8-60.6-88.1000110.9F350 C352 K357 L361 L365 H368F350-F359 PolarHBondContact N-O 3.35Å; F350-F359 PolarHBondContact O-N 3.49Å; C352-F359 HydrophobicContact CB-CE2 4.44Å; K357-F359 HydrophobicContact CB-CE2 3.86Å; K357-F359 HydrophobicContact CB-CZ 3.93Å; F359-L361 PolarHBondContact O-N 3.15Å; F359-L365 HydrophobicContact CB-CB 4.19Å; F359-L365 HydrophobicContact CD2-CB 3.85Å; F359-L365 HydrophobicContact CD2-CD1 3.86Å; F359-L365 HydrophobicContact CD2-CG 4.44Å; F359-L365 HydrophobicContact CE2-CD1 4.03Å; F359-L365 HydrophobicContact CG-CB 4.14Å; F359-H368 HydrophobicContact CE1-CB 3.85Å; F359-H368 HydrophobicContact CE2-CB 4.03Å; F359-H368 AromaticContact CE2-CD2 3.31Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.36Å; F359-H368 AromaticContact CE2-CG 3.74Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.48Å; F359-H368 VanDerWaalsContact CZ-CB 3.48Å; F359-H368 AromaticContact CZ-CD2 3.32Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.49Å; F359-H368 AromaticContact CZ-CG 3.25Å; F359-H368 AromaticContact CZ-ND1 3.84Å; F359-H368 AromaticContact CZ-NE2 3.92Å
360R75.8Confident86Confident162 Ų16280.4 Ų80.461%0.61139%0.391SS*.SBendtrans-73.2-13.6176.5-57.7-171.1-171.6-179.53.1114I343I343-R360 HydrophobicContact CG2-CB 4.12Å
361L76.5Confident86.5Confident23 Ų2385.8 Ų85.812%0.1241%0.41CS..SBendtrans-134.5139.8177.9-65.1-175.7000112.1Y339 I343 F359 K363 Y364 L365Y339-L361 HydrophobicContact CE2-CD2 4.38Å; Y339-L361 WeakPolarHBondContact OH-CD1 3.47Å; Y339-L361 WeakPolarHBondContact OH-CD2 3.33Å; I343-L361 HydrophobicContact CD1-CD2 3.3Å; I343-L361 HydrophobicContact CG1-CD2 3.74Å; I343-L361 HydrophobicContact CG2-CD2 3.98Å; F359-L361 PolarHBondContact O-N 3.15Å; L361-K363 VanDerWaalsContact C-N 3.28Å; L361-K363 PolarHBondContact O-N 2.92Å; L361-Y364 HydrophobicContact CB-CD2 3.66Å; L361-Y364 HydrophobicContact CB-CE2 4.19Å; L361-Y364 HydrophobicContact CB-CG 4.25Å; L361-Y364 HydrophobicContact CD1-CD2 3.9Å; L361-Y364 HydrophobicContact CD1-CE2 3.51Å; L361-Y364 HydrophobicContact CG-CD2 3.96Å; L361-Y364 HydrophobicContact CG-CE2 3.99Å; L361-Y364 PolarHBondContact O-N 3.37Å; L361-L365 PolarHBondContact O-N 3.37Å; L361-L365 VanDerWaalsContact O-N 3.16Å
362K81.5Confident86.6Confident100 Ų10084.1 Ų84.144%0.43541%0.408SS..Hα-helixtrans-53.9-41.7171.3-161.1-168.6-177.3-132.70112.6F350 Y364 L365 E366F350-K362 HydrophobicContact CD1-CB 4.21Å; F350-K362 HydrophobicContact CD1-CG 4.39Å; F350-K362 HydrophobicContact CE1-CB 4.05Å; F350-K362 HydrophobicContact CE1-CG 4.41Å; F350-K362 HydrophobicContact CE2-CB 4.44Å; F350-K362 HydrophobicContact CG-CB 4.48Å; F350-K362 HydrophobicContact CZ-CB 4.17Å; K362-Y364 VanDerWaalsContact C-N 3.26Å; K362-Y364 PolarHBondContact O-N 2.81Å; K362-L365 WeakPolarHBondContact O-CB 3.3Å; K362-L365 PolarHBondContact O-N 3.16Å; K362-L365 VanDerWaalsContact O-N 3.11Å; K362-E366 WeakPolarHBondContact CD-OE1 3.46Å; K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 HydrophobicContact CG-CG 4.35Å; K362-E366 IonicContact NZ-OE1 2.72Å; K362-E366 PolarHBondContact NZ-OE1 3.1Å; K362-E366 WeakPolarHBondContact O-CG 3.31Å; K362-E366 PolarHBondContact O-N 3.28Å
363K81.4Confident86.6Confident137 Ų13785 Ų8560%0.59641%0.412SS*.Hα-helixtrans-57.6-36.4177119.8175-176.1174.30112.9L361 G367L361-K363 VanDerWaalsContact C-N 3.28Å; L361-K363 PolarHBondContact O-N 2.92Å; K363-G367 PolarHBondContact O-N 3.2Å
364Y83.8Confident85.8Confident125 Ų12582.9 Ų82.949%0.4940%0.403SS..Hα-helixtrans-77-35.2178.8-64.5-41.5000111.5L361 K362 H368L361-Y364 HydrophobicContact CB-CD2 3.66Å; L361-Y364 HydrophobicContact CB-CE2 4.19Å; L361-Y364 HydrophobicContact CB-CG 4.25Å; L361-Y364 HydrophobicContact CD1-CD2 3.9Å; L361-Y364 HydrophobicContact CD1-CE2 3.51Å; L361-Y364 HydrophobicContact CG-CD2 3.96Å; L361-Y364 HydrophobicContact CG-CE2 3.99Å; L361-Y364 PolarHBondContact O-N 3.37Å; K362-Y364 VanDerWaalsContact C-N 3.26Å; K362-Y364 PolarHBondContact O-N 2.81Å; Y364-H368 WeakPolarHBondContact O-CB 3.24Å; Y364-H368 PolarHBondContact O-N 2.88Å
365L87.1Confident84.7Confident23 Ų2385.2 Ų85.212%0.1242%0.419CS..Hα-helixtrans-62.1-50.4169170.659.9000111.4F350 Q351 C352 F359 L361 K362 G367 H368 V369F350-L365 HydrophobicContact CB-CB 4.28Å; F350-L365 HydrophobicContact CB-CD2 3.83Å; Q351-L365 WeakPolarHBondContact O-CD2 3.42Å; C352-L365 HydrophobicContact CB-CD1 3.74Å; F359-L365 HydrophobicContact CB-CB 4.19Å; F359-L365 HydrophobicContact CD2-CB 3.85Å; F359-L365 HydrophobicContact CD2-CD1 3.86Å; F359-L365 HydrophobicContact CD2-CG 4.44Å; F359-L365 HydrophobicContact CE2-CD1 4.03Å; F359-L365 HydrophobicContact CG-CB 4.14Å; L361-L365 PolarHBondContact O-N 3.37Å; L361-L365 VanDerWaalsContact O-N 3.16Å; K362-L365 WeakPolarHBondContact O-CB 3.3Å; K362-L365 PolarHBondContact O-N 3.16Å; K362-L365 VanDerWaalsContact O-N 3.11Å; L365-G367 VanDerWaalsContact C-N 3.34Å; L365-G367 PolarHBondContact O-N 3.49Å; L365-H368 CarbonylContact O-C 3.5Å; L365-H368 WeakPolarHBondContact O-CA 3.4Å; L365-H368 WeakPolarHBondContact O-CB 3.44Å; L365-H368 PolarHBondContact O-N 2.89Å; L365-V369 HydrophobicContact CD1-CG2 3.77Å; L365-V369 HydrophobicContact CG-CG2 4.42Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.35Å
366E85.8Confident83Confident75 Ų7588.7 Ų88.735%0.3544%0.435SS..Hα-helixtrans-58.1-46.3178-72.1167173.200111.2K362 H368 V369 K370K362-E366 WeakPolarHBondContact CD-OE1 3.46Å; K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 HydrophobicContact CG-CG 4.35Å; K362-E366 IonicContact NZ-OE1 2.72Å; K362-E366 PolarHBondContact NZ-OE1 3.1Å; K362-E366 WeakPolarHBondContact O-CG 3.31Å; K362-E366 PolarHBondContact O-N 3.28Å; E366-H368 VanDerWaalsContact C-N 3.28Å; E366-H368 PolarHBondContact O-N 3.29Å; E366-V369 PolarHBondContact O-N 2.71Å; E366-K370 WeakPolarHBondContact O-CB 3.45Å; E366-K370 WeakPolarHBondContact O-CG 3.39Å; E366-K370 PolarHBondContact O-N 3Å
367G88.9Confident81Confident23 Ų2386.4 Ų86.424%0.23743%0.433CS..Hα-helixtrans-68.8-20.7174.800000114.4K363 L365 R371K363-G367 PolarHBondContact O-N 3.2Å; L365-G367 VanDerWaalsContact C-N 3.34Å; L365-G367 PolarHBondContact O-N 3.49Å; G367-R371 WeakPolarHBondContact O-CB 3.47Å; G367-R371 WeakPolarHBondContact O-CG 3.45Å; G367-R371 PolarHBondContact O-NE 3.48Å
368H89.2Confident78.9Confident13 Ų1389.9 Ų89.96%0.0645%0.448CS..Hα-helixtrans-79.5-49.4171.3160.966.1000110.9C355 F359 Y364 L365 E366 K370 R371 V372 H373C355-H368 PolarHBondContact SG-NE2 3.16Å; C355-H368 VanDerWaalsContact SG-NE2 3.35Å; F359-H368 HydrophobicContact CE1-CB 3.85Å; F359-H368 HydrophobicContact CE2-CB 4.03Å; F359-H368 AromaticContact CE2-CD2 3.31Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.36Å; F359-H368 AromaticContact CE2-CG 3.74Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.48Å; F359-H368 VanDerWaalsContact CZ-CB 3.48Å; F359-H368 AromaticContact CZ-CD2 3.32Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.49Å; F359-H368 AromaticContact CZ-CG 3.25Å; F359-H368 AromaticContact CZ-ND1 3.84Å; F359-H368 AromaticContact CZ-NE2 3.92Å; Y364-H368 WeakPolarHBondContact O-CB 3.24Å; Y364-H368 PolarHBondContact O-N 2.88Å; L365-H368 CarbonylContact O-C 3.5Å; L365-H368 WeakPolarHBondContact O-CA 3.4Å; L365-H368 WeakPolarHBondContact O-CB 3.44Å; L365-H368 PolarHBondContact O-N 2.89Å; E366-H368 VanDerWaalsContact C-N 3.28Å; E366-H368 PolarHBondContact O-N 3.29Å; H368-K370 VanDerWaalsContact C-N 3.33Å; H368-K370 PolarHBondContact O-N 2.84Å; H368-R371 PolarHBondContact O-N 2.91Å; H368-V372 WeakPolarHBondContact ND1-CG2 3.4Å; H368-V372 WeakPolarHBondContact O-CB 3.18Å; H368-V372 PolarHBondContact O-N 2.89Å; H368-H373 AromaticContact CE1-NE2 3.74Å; H368-H373 AromaticContact NE2-CD2 3.64Å; H368-H373 AromaticContact NE2-NE2 3.38Å; H368-H373 PolarHBondContact NE2-NE2 3.02Å
369V91.8Very high76.3Confident39 Ų3988.9 Ų88.924%0.23645%0.452CS..Hα-helixtrans-56.9-47.3176.3172.40000110.3L365 E366 R371 H373 A374L365-V369 HydrophobicContact CD1-CG2 3.77Å; L365-V369 HydrophobicContact CG-CG2 4.42Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.35Å; E366-V369 PolarHBondContact O-N 2.71Å; V369-R371 PolarHBondContact O-N 2.78Å; V369-H373 HydrophobicContact CG1-CB 4.25Å; V369-H373 CarbonylContact O-C 3.59Å; V369-H373 VanDerWaalsContact O-C 3.25Å; V369-H373 VanDerWaalsContact O-CA 3.29Å; V369-H373 WeakPolarHBondContact O-CA 3.38Å; V369-H373 WeakPolarHBondContact O-CB 3.01Å; V369-H373 PolarHBondContact O-N 2.92Å; V369-A374 PolarHBondContact O-N 3.19Å; V369-A374 VanDerWaalsContact O-N 3.13Å
370K90.9Very high73.8Confident169 Ų16994.7 Ų94.774%0.73549%0.485SS*.Hα-helixtrans-64.3-16.7176.3-74.7-173.3176.3-171.50115.6E366 H368 A374E366-K370 WeakPolarHBondContact O-CB 3.45Å; E366-K370 WeakPolarHBondContact O-CG 3.39Å; E366-K370 PolarHBondContact O-N 3Å; H368-K370 VanDerWaalsContact C-N 3.33Å; H368-K370 PolarHBondContact O-N 2.84Å; K370-A374 WeakPolarHBondContact O-CB 3.37Å
371R90.9Very high71.8Confident181 Ų18194 Ų9468%0.68350%0.499SS*.Hα-helixtrans-107.8-34.2-179.4-75.6-175.4-69.2160.4-1113.9G367 H368 V369G367-R371 WeakPolarHBondContact O-CB 3.47Å; G367-R371 WeakPolarHBondContact O-CG 3.45Å; G367-R371 PolarHBondContact O-NE 3.48Å; H368-R371 PolarHBondContact O-N 2.91Å; V369-R371 PolarHBondContact O-N 2.78Å
372V89.9Confident69.8Low94 Ų94101.3 Ų101.357%0.5753%0.532SS*.Hα-helixtrans-104.4-31.4-174.5-176.90000111.7H368H368-V372 WeakPolarHBondContact ND1-CG2 3.4Å; H368-V372 WeakPolarHBondContact O-CB 3.18Å; H368-V372 PolarHBondContact O-N 2.89Å
373H89.6Confident67.4Low20 Ų20103 Ų1039%0.09355%0.552CS.*SBendtrans-113.612.4-176.9-59.2-63000112.9C352 H354 C355 H368 V369 N375 L376C352-H373 VanDerWaalsContact SG-CD2 3.54Å; H354-H373 AromaticContact CD2-CG 3.99Å; C355-H373 PolarHBondContact SG-NE2 3.38Å; H368-H373 AromaticContact CE1-NE2 3.74Å; H368-H373 AromaticContact NE2-CD2 3.64Å; H368-H373 AromaticContact NE2-NE2 3.38Å; H368-H373 PolarHBondContact NE2-NE2 3.02Å; V369-H373 HydrophobicContact CG1-CB 4.25Å; V369-H373 CarbonylContact O-C 3.59Å; V369-H373 VanDerWaalsContact O-C 3.25Å; V369-H373 VanDerWaalsContact O-CA 3.29Å; V369-H373 WeakPolarHBondContact O-CA 3.38Å; V369-H373 WeakPolarHBondContact O-CB 3.01Å; V369-H373 PolarHBondContact O-N 2.92Å; H373-N375 PolarHBondContact O-N 3.03Å; H373-N375 VanDerWaalsContact O-N 3.11Å; H373-L376 HydrophobicContact CB-CD1 4.05Å; H373-L376 HydrophobicContact CB-CG 4.5Å; H373-L376 VanDerWaalsContact ND1-CD1 3.35Å; H373-L376 WeakPolarHBondContact ND1-CD1 3.45Å; H373-L376 PolarHBondContact O-N 2.89Å
374A74.4Confident65.5Low58 Ų58106.7 Ų106.748%0.47959%0.585SS.*G310 helixtrans-52.5-35.4179.700000113.2V369 K370V369-A374 PolarHBondContact O-N 3.19Å; V369-A374 VanDerWaalsContact O-N 3.13Å; K370-A374 WeakPolarHBondContact O-CB 3.37Å
375N63.9Low64.6Low153 Ų153105.8 Ų105.882%0.81859%0.59SS**G310 helixtrans-86-7.4-177.7-63.3-18.3000113.8H373 G377H373-N375 PolarHBondContact O-N 3.03Å; H373-N375 VanDerWaalsContact O-N 3.11Å; N375-G377 VanDerWaalsContact C-N 3.34Å
376L57.9Low63.4Low104 Ų104110.1 Ų110.155%0.54561%0.614SS.*G310 helixtrans-85.2-8.2176.4-60.8179.6000112.8H354 H373H354-L376 HydrophobicContact CB-CD1 4.17Å; H373-L376 HydrophobicContact CB-CD1 4.05Å; H373-L376 HydrophobicContact CB-CG 4.5Å; H373-L376 VanDerWaalsContact ND1-CD1 3.35Å; H373-L376 WeakPolarHBondContact ND1-CD1 3.45Å; H373-L376 PolarHBondContact O-N 2.89Å
377G46.4Very low62.2Low70 Ų70112.1 Ų112.172%0.72263%0.629SS**G310 helixtrans-87.89-17800000116.1N375N375-G377 VanDerWaalsContact C-N 3.34Å
378K42.8Very low60.6Low206 Ų206117.3 Ų117.390%0.89665%0.652SS**G310 helixtrans-114.76.1-177.5-77.1-165.7174.8-173.90115.4
379G31.1Very low58.8Low50 Ų50123.8 Ų123.852%0.51569%0.689SS.*SBendtrans-157.9100175.700000111.3
380N30.3Very low56.7Low163 Ų163129.5 Ų129.587%0.87272%0.719SS**  trans173.170.3144.1-87.5-5.4000110.2
381T34.7Very low54.2Low148 Ų148126.6 Ų126.691%0.90872%0.718SS**  trans-116.660.2154.956.10000108.5
382Q34.4Very low51.4Low176 Ų176122.5 Ų122.582%0.82272%0.721SS**  trans-143.895.3169.7-81.2-165.3-9.200109.9
383T31.2Very low48.2Very low137 Ų137124.8 Ų124.884%0.8473%0.733SS**  trans179.4123.616340.80000104.8
384V41.3Very low44.4Very low213 Ų213134.4 Ų134.4100%1.29179%0.792SS**  cis-137.30-1.4173.80000107.4

Retrieved 384 of 384 residues in 127.4 ms (Link to these results)