A0A3B5R808_XIPMA Loading...

ELAV-like protein

AlphaFold DB , UniProt , Accession A0A3B5R808, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 360 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M41.9Very low35.2Very low251 Ų251179.4 Ų179.4100%1.23688%0.876SS**  0123.40-89.2171.6166.100108.2
2A38.8Very low35.1Very low101 Ų101181.3 Ų181.384%0.83588%0.877SS**  trans-89.4145.7-158.900000114.2
3V36.3Very low35.1Very low139 Ų139177.7 Ų177.784%0.84287%0.872SS**  trans-72.4126.2173.2179.70000109.7
4R36Very low34.7Very low245 Ų245173.8 Ų173.893%0.92587%0.869SS**  trans-101.9105.8174.4-76.3-172.4174.1160.1-0.4111.2
5R32.6Very low34.5Very low223 Ų223174.7 Ų174.784%0.84287%0.87SS**  trans-71123.9162.7-77.1175.6164.7177.1-5.1109.5
6G33.7Very low34.6Very low79 Ų79172.2 Ų172.281%0.81487%0.866SS**  trans-89.4107.1169.900000110.6
7H33.3Very low34.4Very low169 Ų169172.3 Ų172.378%0.78286%0.863SS**  trans-73127.3174.3-91-105.9000111.5
8I35.4Very low34.3Very low138 Ų138169.8 Ų169.871%0.70886%0.861SS**  trans-73.8126166-66.3169.4000108Y10I8-Y10 HydrophobicContact CG2-CE2 4.28Å
9R35.9Very low34.3Very low240 Ų240168.3 Ų168.391%0.90686%0.861SS**  trans-83.3114.1176.8-65.5-173.8-175.6-163.61.7109.3
10Y30.3Very low34.1Very low213 Ų213170 Ų17084%0.83587%0.865SS**PPolyproline II helixtrans-81.4127.4164.5-76-93.8000109.2I8I8-Y10 HydrophobicContact CG2-CE2 4.28Å
11L33Very low34Very low175 Ų175165.4 Ų165.492%0.91686%0.861SS**PPolyproline II helixtrans-75.4144.7170.1-104.2122.5000110.3
12K34.7Very low33.5Very low203 Ų203162.5 Ų162.588%0.88384%0.844SS**PPolyproline II helixtrans-75.5128.9-162.5-150.7170.9-178.3178.50111.3
13V34.2Very low33.3Very low134 Ų134163.6 Ų163.681%0.81284%0.84SS**PPolyproline II helixtrans-69.1135.2168.4175.50000108.9
14C30Very low33.1Very low123 Ų123168.5 Ų168.583%0.83184%0.843SS**PPolyproline II helixtrans-89.7117.3175-145.10000108.4
15E31.4Very low32.7Very low188 Ų188163.8 Ų163.888%0.87984%0.836SS**PPolyproline II helixtrans-96.8122.3179.9-163.6173.5-163.900108.2
16V35.8Very low32.6Very low134 Ų134159.9 Ų159.981%0.81284%0.838SS**PPolyproline II helixtrans-101.2117.5179.3-174.60000108.2
17Q31Very low32.4Very low174 Ų174164.7 Ų164.781%0.81384%0.839SS**PPolyproline II helixtrans-77.2146.2176.6-65.7-179.42600111.6
18P33.7Very low32.3Very low127 Ų127164.9 Ų164.983%0.82584%0.844SS**PPolyproline II helixtrans-87.8132.6170.932.6-29.4000111.7
19T34.1Very low32Very low141 Ų141163.1 Ų163.187%0.86584%0.844SS**PPolyproline II helixtrans-90.1128.8173.149.20000111.4
20Q30.4Very low31.8Very low203 Ų203156.2 Ų156.295%0.94983%0.832SS**PPolyproline II helixtrans-70.4151.6171.7-71.2177.1-17.300112.4
21G30.7Very low31.8Very low74 Ų74156.1 Ų156.176%0.76384%0.836SS**  trans-173.190.1169.200000114.2
22E32.2Very low31.4Very low190 Ų190151.7 Ų151.789%0.88883%0.833SS**  trans49.3136.9148.8-88.1175102.900124.9
23V35Very low31.2Very low124 Ų124147.1 Ų147.175%0.75283%0.833SS**  trans-93145.7-179.6-150.30000109.9
24R31.7Very low31.3Very low241 Ų241145.3 Ų145.391%0.90983%0.832SS**  trans-154.7117.8150.7-103172.6-165.5-166.22.3111.6
25D28.4Very low31.4Very low146 Ų146146.2 Ų146.278%0.78183%0.833SS**  trans-66.7146171.3-76.3-77.1000113.3
26T29.5Very low31.3Very low142 Ų142145.2 Ų145.287%0.87183%0.826SS**  trans-155.3120.3139.4-18.70000110.7
27Q30Very low30.9Very low180 Ų180145.9 Ų145.984%0.84182%0.82SS**  trans-69150.4168.5-69.7-178.8-35.800111.4
28I31Very low30.9Very low172 Ų172144 Ų14488%0.88282%0.815SS**  trans-162.2141.1134.7-90.3144000109.2
29S28.5Very low30.7Very low102 Ų102148.1 Ų148.171%0.71382%0.816SS**  trans-87.8151.6-168.41790000114.3
30S31.4Very low30.6Very low94 Ų94147.3 Ų147.366%0.65781%0.806SS**  145136.411066.60000117.1
31K30.6Very low30.6Very low212 Ų212144.7 Ų144.792%0.92280%0.799SS**  trans65.6122.7149.6-67170177.3-177.20117.8
32G26Very low30.5Very low82 Ų82144.7 Ų144.785%0.84580%0.798SS**  130.3149.554.900000105.3
33A29.7Very low30.4Very low106 Ų106145.3 Ų145.388%0.87680%0.799SS**  cis-159.115914.300000108.4
34A35.7Very low30.6Very low96 Ų96145.1 Ų145.179%0.79380%0.798SS**  trans-102.7133.4173.300000110.7
35V31.8Very low30.6Very low142 Ų142141.7 Ų141.786%0.86179%0.792SS**  trans-168.7143.6157.3-165.30000107
36K29.7Very low30.8Very low167 Ų167140.2 Ų140.273%0.72679%0.789SS**  cis-175.9127.9-26.6-177.3179.2179-169.10105.4
37E28.8Very low31.3Very low148 Ų148141 Ų14169%0.69278%0.784SS**  trans36.2133.1143.6-57.9-177.512500125.1
38L30.4Very low31.8Very low136 Ų136140.4 Ų140.471%0.71278%0.783SS**  80.8117.3129.7-68.9162.4000122.2
39Y29.5Very low32.4Very low212 Ų212140.8 Ų140.883%0.83178%0.781SS**  173.4108.2108.2-96.7-83.4000107.6
40D30.9Very low33.3Very low125 Ų125141.8 Ų141.867%0.66878%0.775SS**  70.9106.495.9-163.429.7000115.6
41N30.8Very low34.1Very low148 Ų148142.7 Ų142.779%0.79177%0.773SS**  166.298.3130-84.2-40.3000112.7
42G29.3Very low35.3Very low73 Ų73136.7 Ų136.775%0.75375%0.75SS**  trans57.6104.6136.800000121.6
43F29.8Very low36.7Very low204 Ų204138.5 Ų138.590%0.89574%0.741SS**  -166.7118.2109.4-135.7-104.8000109.5E45F43-E45 PolarHBondContact O-N 3.46Å
44T39.4Very low38.7Very low120 Ų120137.4 Ų137.474%0.73673%0.727SS**  trans-73.1108.4174.845.50000110
45E31.2Very low40.9Very low168 Ų168136.2 Ų136.279%0.78570%0.702SS**  trans-104.779.7148-96.9-179.5106.900107F43 M47F43-E45 PolarHBondContact O-N 3.46Å; E45-M47 PolarHBondContact O-N 2.76Å
46T32.3Very low43.8Very low116 Ų116131.1 Ų131.171%0.71267%0.671SS**  trans-60.594.8159-53.10000105.8M48T46-M48 VanDerWaalsContact C-N 3.3Å; T46-M48 PolarHBondContact O-N 2.64Å
47M40.3Very low46.8Very low158 Ų158126.2 Ų126.278%0.77865%0.653SS**  trans-56.3101.9164.6-67.5-171.9173.200106E45 E49E45-M47 PolarHBondContact O-N 2.76Å; M47-E49 PolarHBondContact O-N 2.73Å
48M40.3Very low50Low167 Ų167119.2 Ų119.282%0.82362%0.62SS**  trans-65.286.1166-73.3-179.2-177.200106.8T46 E50T46-M48 VanDerWaalsContact C-N 3.3Å; T46-M48 PolarHBondContact O-N 2.64Å; M48-E50 PolarHBondContact O-N 3.02Å
49E45Very low53Low180 Ų180114.1 Ų114.184%0.84159%0.593SS**  trans-62.994.1147.3-66.9-172.617200105.1M47 D51M47-E49 PolarHBondContact O-N 2.73Å; E49-D51 PolarHBondContact O-N 3.05Å
50E47.4Very low56.1Low123 Ų123104 Ų10458%0.57555%0.553SS**  trans-57.6104.6173.1-72.7-173.5161.700108.3M48 D52 R55M48-E50 PolarHBondContact O-N 3.02Å; E50-D52 PolarHBondContact O-N 2.66Å; E50-R55 IonicContact OE2-NH2 3.77Å
51D47.5Very low59.1Low114 Ų11499.9 Ų99.961%0.6153%0.532SS*.  trans-35.3105.7170.5-145.5-108.4000110.4E49 D53E49-D51 PolarHBondContact O-N 3.05Å; D51-D53 PolarHBondContact O-N 3.47Å
52D55.2Low61.9Low85 Ų8597.5 Ų97.546%0.45551%0.512SS..G310 helixtrans-63.8-18.7-178.5-163.146.5000111.6E50 S54 R55 H107E50-D52 PolarHBondContact O-N 2.66Å; D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 PolarHBondContact O-N 3.19Å; D52-R55 PolarHBondContact O-N 3.47Å; D52-R55 WeakPolarHBondContact OD1-CD 3.48Å; D52-R55 IonicContact OD1-CZ 3.87Å; D52-R55 VanDerWaalsContact OD1-CZ 3.27Å; D52-R55 IonicContact OD1-NE 3.59Å; D52-R55 IonicContact OD1-NH1 3.71Å; D52-R55 PolarHBondContact OD1-NH1 3.45Å; D52-H107 PolarHBondContact O-CE1 3.47Å; D52-H107 VanDerWaalsContact O-CE1 3.28Å
53D56Low64.9Low121 Ų12194 Ų9465%0.64748%0.476SS*.G310 helixtrans-74.4-1.1-171.2-92.5-17.9000115.5D51 H107D51-D53 PolarHBondContact O-N 3.47Å; D53-H107 PolarHBondContact O-CD2 2.76Å
54S71.3Confident67.8Low83 Ų8384.6 Ų84.658%0.5844%0.435SS*.G310 helixtrans-119.63.1177.966.30000114.6D52 T56D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 PolarHBondContact O-N 3.19Å; S54-T56 PolarHBondContact O-N 3.29Å; S54-T56 VanDerWaalsContact O-N 3.13Å
55R82.5Confident70.1Confident71 Ų7185.2 Ų85.227%0.26843%0.43SS..  trans-70.2113-176.1-66.9-176.8177156.14110.8E50 D52 H107 F131E50-R55 IonicContact OE2-NH2 3.77Å; D52-R55 PolarHBondContact O-N 3.47Å; D52-R55 WeakPolarHBondContact OD1-CD 3.48Å; D52-R55 IonicContact OD1-CZ 3.87Å; D52-R55 VanDerWaalsContact OD1-CZ 3.27Å; D52-R55 IonicContact OD1-NE 3.59Å; D52-R55 IonicContact OD1-NH1 3.71Å; D52-R55 PolarHBondContact OD1-NH1 3.45Å; R55-H107 PolarHBondContact N-ND1 3.25Å; R55-H107 PolarHBondContact O-ND1 2.66Å; R55-F131 HydrophobicContact CB-CD1 3.56Å; R55-F131 HydrophobicContact CB-CE1 3.91Å; R55-F131 HydrophobicContact CB-CG 4.1Å; R55-F131 WeakPolarHBondContact O-CE1 3.23Å
56T91.9Very high72.9Confident35 Ų3581 Ų8122%0.21542%0.419CS..  trans-104.1-12.8177.7540000113.8S54 N103 F104 H107S54-T56 PolarHBondContact O-N 3.29Å; S54-T56 VanDerWaalsContact O-N 3.13Å; T56-N103 PolarHBondContact O-OD1 3.24Å; T56-N103 PolarHBondContact OG1-OD1 3.16Å; T56-F104 VanDerWaalsContact CB-O 3.24Å; T56-F104 WeakPolarHBondContact CB-O 3.31Å; T56-F104 PolarHBondContact O-N 3.02Å; T56-H107 HydrophobicContact CG2-CB 4.31Å
57N93.9Very high75.7Confident64 Ų6476.1 Ų76.134%0.34239%0.388SS..EExtended strand (participates in β ladder)trans-92.8128.2-176.2-167.75.6000110.9N103 A132N57-N103 WeakPolarHBondContact CA-OD1 3.25Å; N57-N103 VanDerWaalsContact CB-OD1 3.29Å; N57-N103 WeakPolarHBondContact CB-OD1 3.35Å; N57-N103 PolarHBondContact N-OD1 3.42Å; N57-N103 VanDerWaalsContact N-OD1 3.11Å; N57-A132 HydrophobicContact CB-CB 4.04Å; N57-A132 WeakPolarHBondContact O-CB 3.38Å; N57-A132 PolarHBondContact O-N 2.94Å
58L94.9Very high78.2Confident0 Ų070.1 Ų70.10%036%0.362CS..EExtended strand (participates in β ladder)trans-113.9144.5179.6-56.7-171.9000110.9F76 F101 V102 F104 A110 A113 I114 V129 S130 F131L58-F76 HydrophobicContact CD1-CE1 4.22Å; L58-F101 CarbonylContact O-C 3.54Å; L58-F101 WeakPolarHBondContact O-CA 3.25Å; L58-V102 WeakPolarHBondContact CB-O 3.4Å; L58-V102 PolarHBondContact N-O 3.11Å; L58-V102 PolarHBondContact O-N 3.31Å; L58-F104 HydrophobicContact CD1-CD2 4.06Å; L58-F104 HydrophobicContact CD1-CE2 3.69Å; L58-F104 HydrophobicContact CG-CD2 4.37Å; L58-F104 HydrophobicContact CG-CE2 4.42Å; L58-A110 HydrophobicContact CD1-CB 4.34Å; L58-A110 HydrophobicContact CD2-CB 4.02Å; L58-A110 HydrophobicContact CG-CB 4.19Å; L58-A113 HydrophobicContact CD1-CB 3.88Å; L58-I114 HydrophobicContact CD1-CG1 4.14Å; L58-I114 HydrophobicContact CD2-CD1 3.64Å; L58-I114 HydrophobicContact CD2-CG1 3.8Å; L58-V129 HydrophobicContact CB-CG1 4.37Å; L58-V129 HydrophobicContact CD1-CG1 3.82Å; L58-S130 CarbonylContact C-O 3.48Å; L58-S130 WeakPolarHBondContact CA-O 3.34Å; L58-F131 HydrophobicContact CD2-CD1 3.51Å; L58-F131 HydrophobicContact CD2-CE1 3.82Å; L58-F131 HydrophobicContact CD2-CG 4.28Å
59I94.1Very high80.6Confident29 Ų2966.2 Ų66.215%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-103.7132.9165-172.3172.4000109.2Y99 F101 S130 A132I59-Y99 HydrophobicContact CD1-CD2 4.33Å; I59-F101 HydrophobicContact CB-CD1 4.1Å; I59-F101 HydrophobicContact CB-CE1 3.94Å; I59-F101 HydrophobicContact CD1-CE1 3.88Å; I59-F101 HydrophobicContact CD1-CZ 4.01Å; I59-F101 HydrophobicContact CG1-CD1 4.27Å; I59-F101 HydrophobicContact CG1-CE1 3.88Å; I59-F101 HydrophobicContact CG1-CZ 4.31Å; I59-S130 WeakPolarHBondContact CG2-OG 3.39Å; I59-S130 PolarHBondContact N-O 3.34Å; I59-S130 PolarHBondContact O-N 2.79Å; I59-S130 VanDerWaalsContact O-N 3.13Å; I59-A132 HydrophobicContact CB-CB 4.21Å
60V94.9Very high82.9Confident0 Ų063.1 Ų63.10%033%0.331CS..EExtended strand (participates in β ladder)trans-115.3108.7179.1-168.20000108.3L63 L72 F76 Y99 G100 V102 I127 K128 V129V60-L63 HydrophobicContact CB-CD1 4.37Å; V60-L63 HydrophobicContact CB-CD2 4.35Å; V60-L63 HydrophobicContact CB-CG 4.46Å; V60-L63 HydrophobicContact CG1-CD1 4.34Å; V60-L63 HydrophobicContact CG1-CD2 3.45Å; V60-L63 VanDerWaalsContact CG1-CD2 3.45Å; V60-L63 HydrophobicContact CG1-CG 3.99Å; V60-L72 HydrophobicContact CB-CD1 4.5Å; V60-L72 HydrophobicContact CG1-CD1 4.47Å; V60-L72 HydrophobicContact CG2-CD1 4.39Å; V60-F76 HydrophobicContact CB-CZ 4.3Å; V60-F76 HydrophobicContact CG1-CE2 4.24Å; V60-F76 HydrophobicContact CG1-CZ 4.01Å; V60-F76 HydrophobicContact CG2-CE1 3.94Å; V60-F76 HydrophobicContact CG2-CE2 3.79Å; V60-F76 HydrophobicContact CG2-CZ 3.29Å; V60-Y99 CarbonylContact O-C 3.58Å; V60-Y99 WeakPolarHBondContact O-CA 3.37Å; V60-Y99 VanDerWaalsContact O-CB 3.29Å; V60-Y99 WeakPolarHBondContact O-CB 3.44Å; V60-G100 PolarHBondContact N-O 3.49Å; V60-G100 PolarHBondContact O-N 2.81Å; V60-V102 HydrophobicContact CG2-CG2 4.1Å; V60-I127 HydrophobicContact CG1-CB 4.32Å; V60-I127 HydrophobicContact CG1-CD1 4.24Å; V60-K128 CarbonylContact C-O 3.6Å; V60-K128 WeakPolarHBondContact CA-O 3.22Å; V60-V129 HydrophobicContact CG1-CG2 4.21Å
61N92.4Very high85.2Confident39 Ų3962.2 Ų62.221%0.20933%0.327CS..EExtended strand (participates in β ladder)trans-98.4159.6-179.7-66.7-74.7000111.5L63 I127 K128N61-L63 VanDerWaalsContact C-N 3.32Å; N61-L63 PolarHBondContact O-N 2.82Å; N61-I127 WeakPolarHBondContact O-CA 3.41Å; N61-K128 HydrophobicContact CB-CB 4.33Å; N61-K128 PolarHBondContact N-O 2.87Å; N61-K128 PolarHBondContact O-N 3.45Å
62Y91Very high87.4Confident98 Ų9856.8 Ų56.838%0.38430%0.298SS..SBendtrans63.633.4177.7-45-68.4000114.2G98 K125 T126 K128Y62-G98 CarbonylContact C-O 3.56Å; Y62-G98 PolarHBondContact N-O 2.98Å; Y62-K125 VanDerWaalsContact O-CB 3.24Å; Y62-K125 WeakPolarHBondContact O-CB 3.39Å; Y62-K125 WeakPolarHBondContact O-CD 3.29Å; Y62-T126 WeakPolarHBondContact CB-O 3.46Å; Y62-K128 HydrophobicContact CD2-CB 3.72Å; Y62-K128 HydrophobicContact CE2-CB 3.83Å; Y62-K128 HydrophobicContact CE2-CD 4.25Å
63L92.4Very high89.3Confident0 Ų058.7 Ų58.70%030%0.299CS..  trans-65143.7171.1-63177.8000111V60 N61 M67 L72 L87 G98 K125 I127V60-L63 HydrophobicContact CB-CD1 4.37Å; V60-L63 HydrophobicContact CB-CD2 4.35Å; V60-L63 HydrophobicContact CB-CG 4.46Å; V60-L63 HydrophobicContact CG1-CD1 4.34Å; V60-L63 HydrophobicContact CG1-CD2 3.45Å; V60-L63 VanDerWaalsContact CG1-CD2 3.45Å; V60-L63 HydrophobicContact CG1-CG 3.99Å; N61-L63 VanDerWaalsContact C-N 3.32Å; N61-L63 PolarHBondContact O-N 2.82Å; L63-M67 HydrophobicContact CB-SD 4.44Å; L63-M67 HydrophobicContact CD2-SD 3.71Å; L63-M67 HydrophobicContact CG-SD 4.46Å; L63-L72 HydrophobicContact CD1-CD1 3.98Å; L63-L72 HydrophobicContact CD1-CD2 4.15Å; L63-L72 HydrophobicContact CD2-CD1 4.19Å; L63-L87 HydrophobicContact CD1-CD1 3.52Å; L63-G98 PolarHBondContact N-O 3.12Å; L63-G98 WeakPolarHBondContact O-CA 3.47Å; L63-K125 WeakPolarHBondContact O-CD 3.48Å; L63-K125 PolarHBondContact O-NZ 3.03Å; L63-I127 HydrophobicContact CD2-CG2 3.83Å
64P90Very high91.2Very high5 Ų556.8 Ų56.83%0.03230%0.295CS..  trans-57.7142.8168.3-22.633.4000111.3S66 M67 L122P64-S66 PolarHBondContact O-N 3.06Å; P64-M67 HydrophobicContact CB-CB 4.35Å; P64-M67 WeakPolarHBondContact O-CB 3.38Å; P64-M67 PolarHBondContact O-N 3.25Å; P64-M67 VanDerWaalsContact O-N 3.14Å; P64-L122 HydrophobicContact CG-CB 3.78Å
65Q87.6Confident92.3Very high133 Ų13354.8 Ų54.862%0.62128%0.277SS*.THydrogen-bonded Turntrans-68.7-23.9179.8-75.3-164.60.200113.1M67Q65-M67 VanDerWaalsContact C-N 3.29Å
66S89Confident92.9Very high80 Ų8051.4 Ų51.456%0.55926%0.264SS*.THydrogen-bonded Turntrans-76-15.2174.746.20000113.3P64 S68 Q123P64-S66 PolarHBondContact O-N 3.06Å; S66-S68 PolarHBondContact O-N 3.47Å; S66-Q123 PolarHBondContact OG-NE2 3.4Å; S66-Q123 VanDerWaalsContact OG-NE2 3.09Å; S66-Q123 PolarHBondContact OG-OE1 3.06Å
67M91.1Very high93Very high13 Ų1352.1 Ų52.16%0.06427%0.271CS..  trans-66.9133.6-175.7-165.8176.7-159.200111.3L63 P64 Q65 E71 L72 L75 L87 L122L63-M67 HydrophobicContact CB-SD 4.44Å; L63-M67 HydrophobicContact CD2-SD 3.71Å; L63-M67 HydrophobicContact CG-SD 4.46Å; P64-M67 HydrophobicContact CB-CB 4.35Å; P64-M67 WeakPolarHBondContact O-CB 3.38Å; P64-M67 PolarHBondContact O-N 3.25Å; P64-M67 VanDerWaalsContact O-N 3.14Å; Q65-M67 VanDerWaalsContact C-N 3.29Å; M67-E71 VanDerWaalsContact CA-OE2 3.29Å; M67-E71 WeakPolarHBondContact CA-OE2 3.34Å; M67-E71 HydrophobicContact CE-CB 4.16Å; M67-E71 HydrophobicContact CG-CB 4.04Å; M67-L72 HydrophobicContact CE-CB 4.36Å; M67-L75 HydrophobicContact CE-CD2 3.98Å; M67-L87 WeakPolarHBondContact O-CD2 2.92Å; M67-L122 HydrophobicContact CE-CD1 3.94Å; M67-L122 HydrophobicContact SD-CD1 4.1Å
68S92.8Very high93Very high33 Ų3353.4 Ų53.423%0.23129%0.285CS..  trans-88.8164.8176.579.40000112.3S66 D70 E71 L72S66-S68 PolarHBondContact O-N 3.47Å; S68-D70 VanDerWaalsContact C-N 3.31Å; S68-E71 PolarHBondContact N-OE2 3.23Å; S68-E71 WeakPolarHBondContact OG-CB 3.48Å; S68-E71 VanDerWaalsContact OG-CG 3.25Å; S68-E71 WeakPolarHBondContact OG-CG 3.47Å; S68-E71 PolarHBondContact OG-N 3.07Å; S68-L72 PolarHBondContact O-N 2.96Å; S68-L72 VanDerWaalsContact O-N 3.09Å
69Q92.5Very high93Very high85 Ų8554.5 Ų54.540%0.39729%0.292SS..Hα-helixtrans-67.5-36.6175.2-176.8175.5-74.100111.2L72 R73 A85 L87Q69-L72 WeakPolarHBondContact O-CB 3.43Å; Q69-L72 PolarHBondContact O-N 3.5Å; Q69-R73 PolarHBondContact O-N 3.06Å; Q69-A85 WeakPolarHBondContact CG-O 3.22Å; Q69-A85 PolarHBondContact NE2-O 2.91Å; Q69-L87 HydrophobicContact CB-CB 4.01Å; Q69-L87 HydrophobicContact CG-CB 4.36Å
70D93.4Very high92.9Very high114 Ų11453.8 Ų53.861%0.6129%0.292SS*.Hα-helixtrans-66.4-41.2177.7-59-61.1000111.1S68 L72 R73 S74S68-D70 VanDerWaalsContact C-N 3.31Å; D70-L72 PolarHBondContact O-N 3.23Å; D70-R73 PolarHBondContact O-N 3.08Å; D70-S74 WeakPolarHBondContact O-CB 3.33Å; D70-S74 PolarHBondContact O-N 3.3Å; D70-S74 PolarHBondContact O-OG 3.1Å; D70-S74 VanDerWaalsContact O-OG 3.12Å
71E94.3Very high92.9Very high105 Ų10560 Ų6049%0.49132%0.321SS..Hα-helixtrans-60.9-43172.6-75172.2169.200112M67 S68 S74 L75M67-E71 VanDerWaalsContact CA-OE2 3.29Å; M67-E71 WeakPolarHBondContact CA-OE2 3.34Å; M67-E71 HydrophobicContact CE-CB 4.16Å; M67-E71 HydrophobicContact CG-CB 4.04Å; S68-E71 PolarHBondContact N-OE2 3.23Å; S68-E71 WeakPolarHBondContact OG-CB 3.48Å; S68-E71 VanDerWaalsContact OG-CG 3.25Å; S68-E71 WeakPolarHBondContact OG-CG 3.47Å; S68-E71 PolarHBondContact OG-N 3.07Å; E71-S74 PolarHBondContact O-N 2.93Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 2.87Å
72L95.1Very high93Very high0 Ų058.6 Ų58.60%031%0.313CS..Hα-helixtrans-60.8-46.7175.4178.266.5000110.6V60 L63 M67 S68 Q69 D70 L75 F76 L87 V102V60-L72 HydrophobicContact CB-CD1 4.5Å; V60-L72 HydrophobicContact CG1-CD1 4.47Å; V60-L72 HydrophobicContact CG2-CD1 4.39Å; L63-L72 HydrophobicContact CD1-CD1 3.98Å; L63-L72 HydrophobicContact CD1-CD2 4.15Å; L63-L72 HydrophobicContact CD2-CD1 4.19Å; M67-L72 HydrophobicContact CE-CB 4.36Å; S68-L72 PolarHBondContact O-N 2.96Å; S68-L72 VanDerWaalsContact O-N 3.09Å; Q69-L72 WeakPolarHBondContact O-CB 3.43Å; Q69-L72 PolarHBondContact O-N 3.5Å; D70-L72 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 3.23Å; L72-F76 HydrophobicContact CD1-CD2 3.84Å; L72-F76 HydrophobicContact CD1-CE2 3.6Å; L72-F76 VanDerWaalsContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.44Å; L72-F76 PolarHBondContact O-N 3.36Å; L72-L87 HydrophobicContact CD2-CD1 4.34Å; L72-V102 HydrophobicContact CD1-CG2 4.27Å; L72-V102 HydrophobicContact CD2-CG2 4.19Å; L72-V102 HydrophobicContact CG-CG2 4.07Å
73R95Very high93.1Very high125 Ų12560.1 Ų60.147%0.47232%0.324SS..Hα-helixtrans-61-51.9178-173.3172.7176.7-97.7-3.3110.9Q69 D70 L75 F76 S77 V82 A85Q69-R73 PolarHBondContact O-N 3.06Å; D70-R73 PolarHBondContact O-N 3.08Å; R73-L75 VanDerWaalsContact C-N 3.28Å; R73-L75 PolarHBondContact O-N 2.93Å; R73-F76 PolarHBondContact O-N 3.05Å; R73-F76 VanDerWaalsContact O-N 3.16Å; R73-S77 WeakPolarHBondContact O-CB 3.49Å; R73-S77 PolarHBondContact O-N 2.95Å; R73-S77 PolarHBondContact O-OG 3.32Å; R73-V82 HydrophobicContact CG-CG1 4.29Å; R73-A85 HydrophobicContact CB-CB 3.79Å; R73-A85 HydrophobicContact CG-CB 4.1Å
74S94.6Very high93Very high81 Ų8163 Ų6357%0.56634%0.344SS*.Hα-helixtrans-58.2-38.7179.9-68.70000112.7D70 E71 S78D70-S74 WeakPolarHBondContact O-CB 3.33Å; D70-S74 PolarHBondContact O-N 3.3Å; D70-S74 PolarHBondContact O-OG 3.1Å; D70-S74 VanDerWaalsContact O-OG 3.12Å; E71-S74 PolarHBondContact O-N 2.93Å; S74-S78 PolarHBondContact O-N 3.41Å
75L94.4Very high93.3Very high40 Ų4063.3 Ų63.321%0.20935%0.347CS..Hα-helixtrans-60.9-47.6176.4179.463.2000111.5M67 E71 L72 R73 S78 L117 L120 L122 I127M67-L75 HydrophobicContact CE-CD2 3.98Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 2.87Å; L72-L75 PolarHBondContact O-N 3.23Å; R73-L75 VanDerWaalsContact C-N 3.28Å; R73-L75 PolarHBondContact O-N 2.93Å; L75-S78 WeakPolarHBondContact O-CB 3.22Å; L75-S78 PolarHBondContact O-N 2.88Å; L75-S78 PolarHBondContact O-OG 2.9Å; L75-L117 HydrophobicContact CD1-CD2 4.39Å; L75-L120 HydrophobicContact CD1-CD2 4Å; L75-L120 HydrophobicContact CD2-CD2 4.24Å; L75-L122 HydrophobicContact CD2-CD1 4.11Å; L75-I127 HydrophobicContact CD2-CD1 4.32Å
76F95.3Very high93.6Very high0 Ų063.2 Ų63.20%035%0.345CS..Hα-helixtrans-79-27.2-177.4-78.9-101.3000113.1L58 V60 L72 R73 S78 V79 G80 V82 V102 F104 A113 L117 V129L58-F76 HydrophobicContact CD1-CE1 4.22Å; V60-F76 HydrophobicContact CB-CZ 4.3Å; V60-F76 HydrophobicContact CG1-CE2 4.24Å; V60-F76 HydrophobicContact CG1-CZ 4.01Å; V60-F76 HydrophobicContact CG2-CE1 3.94Å; V60-F76 HydrophobicContact CG2-CE2 3.79Å; V60-F76 HydrophobicContact CG2-CZ 3.29Å; L72-F76 HydrophobicContact CD1-CD2 3.84Å; L72-F76 HydrophobicContact CD1-CE2 3.6Å; L72-F76 VanDerWaalsContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.44Å; L72-F76 PolarHBondContact O-N 3.36Å; R73-F76 PolarHBondContact O-N 3.05Å; R73-F76 VanDerWaalsContact O-N 3.16Å; F76-S78 PolarHBondContact O-N 3.09Å; F76-V79 PolarHBondContact O-N 3.34Å; F76-G80 PolarHBondContact O-N 3.24Å; F76-V82 HydrophobicContact CB-CG2 3.92Å; F76-V102 HydrophobicContact CB-CG1 3.81Å; F76-V102 HydrophobicContact CB-CG2 4.48Å; F76-V102 HydrophobicContact CD1-CB 4.26Å; F76-V102 HydrophobicContact CD1-CG1 4Å; F76-V102 HydrophobicContact CD1-CG2 4.23Å; F76-V102 HydrophobicContact CD2-CG2 4.06Å; F76-V102 HydrophobicContact CE2-CG2 4.38Å; F76-V102 HydrophobicContact CG-CB 4.37Å; F76-V102 HydrophobicContact CG-CG1 3.96Å; F76-V102 HydrophobicContact CG-CG2 3.98Å; F76-F104 HydrophobicContact CB-CZ 3.95Å; F76-F104 AromaticContact CD1-CE2 3.88Å; F76-F104 HydrophobicContact CD1-CE2 3.88Å; F76-F104 AromaticContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CG-CZ 4.44Å; F76-A113 HydrophobicContact CD1-CB 4.16Å; F76-A113 HydrophobicContact CE1-CB 4.36Å; F76-L117 HydrophobicContact CD1-CD1 3.68Å; F76-L117 HydrophobicContact CD2-CD1 4.19Å; F76-L117 HydrophobicContact CE1-CD1 3.69Å; F76-L117 HydrophobicContact CE2-CD1 4.19Å; F76-L117 HydrophobicContact CG-CD1 3.94Å; F76-L117 HydrophobicContact CZ-CD1 3.94Å; F76-V129 HydrophobicContact CE1-CG1 3.91Å; F76-V129 HydrophobicContact CE1-CG2 4.31Å; F76-V129 HydrophobicContact CZ-CG1 4.21Å; F76-V129 HydrophobicContact CZ-CG2 3.88Å
77S94.7Very high93.8Very high50 Ų5059.8 Ų59.835%0.3532%0.32SS..Hα-helixtrans-63.7-17.1172.2-64.40000113.5R73 V79 G80R73-S77 WeakPolarHBondContact O-CB 3.49Å; R73-S77 PolarHBondContact O-N 2.95Å; R73-S77 PolarHBondContact O-OG 3.32Å; S77-V79 PolarHBondContact O-N 3.28Å; S77-G80 WeakPolarHBondContact CA-O 3.44Å
78S93.9Very high93.8Very high92 Ų9260.7 Ų60.764%0.64333%0.325SS*.THydrogen-bonded Turntrans-69.6-22172.672.50000113.4S74 L75 F76S74-S78 PolarHBondContact O-N 3.41Å; L75-S78 WeakPolarHBondContact O-CB 3.22Å; L75-S78 PolarHBondContact O-N 2.88Å; L75-S78 PolarHBondContact O-OG 2.9Å; F76-S78 PolarHBondContact O-N 3.09Å
79V94.4Very high93.7Very high23 Ų2364.9 Ų64.914%0.13934%0.336CS..THydrogen-bonded Turntrans-94.8-36.7-179-178.90000111.9F76 S77 R112 A113 L117F76-V79 PolarHBondContact O-N 3.34Å; S77-V79 PolarHBondContact O-N 3.28Å; V79-R112 HydrophobicContact CG1-CB 3.79Å; V79-R112 PolarHBondContact O-NH2 3.22Å; V79-A113 HydrophobicContact CB-CB 4.24Å; V79-A113 HydrophobicContact CG1-CB 3.94Å; V79-A113 HydrophobicContact CG2-CB 4.43Å; V79-L117 HydrophobicContact CG2-CD1 3.78Å; V79-L117 HydrophobicContact CG2-CD2 4.34Å; V79-L117 HydrophobicContact CG2-CG 3.99Å
80G92.4Very high93.4Very high14 Ų1463.7 Ų63.714%0.14433%0.332CS..SBendtrans-174.4-176.3-177.300000112.7F76 S77 V82F76-G80 PolarHBondContact O-N 3.24Å; S77-G80 WeakPolarHBondContact CA-O 3.44Å; G80-V82 PolarHBondContact O-N 2.97Å
81E94.3Very high92.8Very high131 Ų13168.5 Ų68.561%0.61235%0.347SS*.  trans-76.4115.1-176.2-167.6174176.800111.2F104 V105E81-F104 WeakPolarHBondContact O-CA 3.14Å; E81-F104 WeakPolarHBondContact O-CD1 3.47Å; E81-V105 HydrophobicContact CB-CB 4.39Å; E81-V105 HydrophobicContact CB-CG2 4.08Å; E81-V105 HydrophobicContact CG-CG2 3.8Å; E81-V105 PolarHBondContact O-N 2.97Å
82V94.5Very high92.1Very high9 Ų968.6 Ų68.66%0.05536%0.355CS..EExtended strand (participates in β ladder)trans-92.1113.7-179.4176.80000109.5R73 F76 G80 S84 A85 V102 F104R73-V82 HydrophobicContact CG-CG1 4.29Å; F76-V82 HydrophobicContact CB-CG2 3.92Å; G80-V82 PolarHBondContact O-N 2.97Å; V82-S84 WeakPolarHBondContact CG1-O 3.35Å; V82-A85 HydrophobicContact CG1-CB 4.19Å; V82-V102 HydrophobicContact CG1-CG1 3.8Å; V82-V102 HydrophobicContact CG2-CG1 4.08Å; V82-F104 HydrophobicContact CG2-CD1 4.19Å; V82-F104 HydrophobicContact CG2-CE1 3.74Å; V82-F104 HydrophobicContact CG2-CZ 4.07Å
83E92.9Very high91.4Very high129 Ų12971.2 Ų71.260%0.60338%0.377SS*.EExtended strand (participates in β ladder)trans-69.7-46.9173.9-172.7-170.2-161.400110.7N103 V105E83-N103 PolarHBondContact N-O 3.13Å; E83-N103 PolarHBondContact OE2-ND2 3.13Å; E83-V105 HydrophobicContact CB-CG2 4.03Å
84S91.8Very high90.7Very high61 Ų6167 Ų6743%0.42737%0.372SS..EExtended strand (participates in β ladder)trans-148.7147177.769.50000112.7V82 V102 N103V82-S84 WeakPolarHBondContact CG1-O 3.35Å; S84-V102 CarbonylContact O-C 3.51Å; S84-V102 WeakPolarHBondContact O-CA 3.42Å; S84-N103 PolarHBondContact N-O 3.11Å; S84-N103 PolarHBondContact O-N 3.04Å; S84-N103 WeakPolarHBondContact OG-CB 3.15Å
85A94.4Very high90.2Very high12 Ų1269 Ų6910%0.09937%0.372CS..EExtended strand (participates in β ladder)trans-135.7127.1171.900000108.9Q69 R73 V82 F101 V102Q69-A85 WeakPolarHBondContact CG-O 3.22Å; Q69-A85 PolarHBondContact NE2-O 2.91Å; R73-A85 HydrophobicContact CB-CB 3.79Å; R73-A85 HydrophobicContact CG-CB 4.1Å; V82-A85 HydrophobicContact CG1-CB 4.19Å; A85-F101 CarbonylContact C-O 3.54Å; A85-F101 WeakPolarHBondContact CA-O 3.49Å; A85-V102 HydrophobicContact CB-CG2 4.33Å
86K94Very high89.9Confident130 Ų13067.3 Ų67.357%0.56536%0.364SS*.EExtended strand (participates in β ladder)trans-130.4113-176.1-172176.1-177.21710110.3I88 G100 F101K86-I88 HydrophobicContact CD-CD1 4.09Å; K86-I88 HydrophobicContact CG-CD1 4.02Å; K86-G100 CarbonylContact O-C 3.42Å; K86-G100 WeakPolarHBondContact O-CA 3.33Å; K86-F101 PolarHBondContact N-O 2.79Å; K86-F101 PolarHBondContact O-N 3.31Å
87L93.9Very high89.6Confident9 Ų969.8 Ų69.85%0.04738%0.377CS..EExtended strand (participates in β ladder)trans-84.6124.9171.8-173.373.4000109.2L63 M67 Q69 L72L63-L87 HydrophobicContact CD1-CD1 3.52Å; M67-L87 WeakPolarHBondContact O-CD2 2.92Å; Q69-L87 HydrophobicContact CB-CB 4.01Å; Q69-L87 HydrophobicContact CG-CB 4.36Å; L72-L87 HydrophobicContact CD2-CD1 4.34Å
88I92.2Very high89.3Confident31 Ų3167.8 Ų67.816%0.15936%0.364CS..EExtended strand (participates in β ladder)trans-83.2125.8-179.9-52.5-57.7000109.7K86 L97 Y99 F101K86-I88 HydrophobicContact CD-CD1 4.09Å; K86-I88 HydrophobicContact CG-CD1 4.02Å; I88-L97 HydrophobicContact CG2-CD1 3.65Å; I88-L97 HydrophobicContact CG2-CG 4.25Å; I88-L97 PolarHBondContact O-N 3.09Å; I88-Y99 HydrophobicContact CB-CD2 4.32Å; I88-Y99 HydrophobicContact CB-CE1 4.24Å; I88-Y99 HydrophobicContact CB-CE2 3.91Å; I88-Y99 HydrophobicContact CG1-CD2 4Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE1 4.28Å; I88-Y99 HydrophobicContact CG2-CE2 4.29Å; I88-Y99 PolarHBondContact N-O 3.28Å; I88-F101 HydrophobicContact CD1-CD2 3.93Å; I88-F101 HydrophobicContact CD1-CE2 4.02Å; I88-F101 HydrophobicContact CG1-CD2 3.92Å; I88-F101 HydrophobicContact CG1-CE2 3.8Å
89R90.1Very high89.3Confident122 Ų12266.6 Ų66.646%0.4635%0.345SS..EExtended strand (participates in β ladder)trans-119.4151.2177.9-66.5173.9175.8-113.80.7110.1K91 G94 H95R89-K91 PolarHBondContact O-N 2.98Å; R89-G94 PolarHBondContact NH1-O 2.87Å; R89-H95 CarbonylContact C-O 3.59Å; R89-H95 VanDerWaalsContact CA-O 3.23Å; R89-H95 WeakPolarHBondContact CA-O 3.38Å
90D85.4Confident89.3Confident59 Ų5965.5 Ų65.532%0.31634%0.339SS..  trans-58.7125.3170-172.1-71.7000109.3V92 A93 G94 H95 L97D90-V92 PolarHBondContact O-N 3.19Å; D90-V92 VanDerWaalsContact OD1-CA 3.32Å; D90-V92 WeakPolarHBondContact OD1-CA 3.47Å; D90-V92 VanDerWaalsContact OD1-CB 3.3Å; D90-V92 WeakPolarHBondContact OD1-CB 3.42Å; D90-V92 PolarHBondContact OD1-N 2.78Å; D90-A93 HydrophobicContact CB-CB 4.31Å; D90-A93 PolarHBondContact OD1-N 2.95Å; D90-G94 VanDerWaalsContact O-CA 3.26Å; D90-G94 WeakPolarHBondContact O-CA 3.31Å; D90-G94 PolarHBondContact O-N 3.17Å; D90-H95 PolarHBondContact N-O 3.31Å; D90-L97 HydrophobicContact CB-CD2 3.97Å
91K80.6Confident89.5Confident216 Ų21667.1 Ų67.194%0.93934%0.342SS*.THydrogen-bonded Turntrans-65-20.1-176.4-66.3-173.4-179.9-175.60113.1R89R89-K91 PolarHBondContact O-N 2.98Å
92V80.4Confident89.6Confident106 Ų10660.9 Ų60.964%0.64231%0.313SS*.THydrogen-bonded Turntrans-103-46.1-172.1-172.60000111D90D90-V92 PolarHBondContact O-N 3.19Å; D90-V92 VanDerWaalsContact OD1-CA 3.32Å; D90-V92 WeakPolarHBondContact OD1-CA 3.47Å; D90-V92 VanDerWaalsContact OD1-CB 3.3Å; D90-V92 WeakPolarHBondContact OD1-CB 3.42Å; D90-V92 PolarHBondContact OD1-N 2.78Å
93A79.9Confident89.6Confident56 Ų5661.8 Ų61.846%0.46332%0.318SS..THydrogen-bonded Turntrans-98.1-14.5-176.200000113.6D90 H95D90-A93 HydrophobicContact CB-CB 4.31Å; D90-A93 PolarHBondContact OD1-N 2.95Å; A93-H95 PolarHBondContact O-N 2.89Å; A93-H95 VanDerWaalsContact O-N 3.11Å
94G81.5Confident89.7Confident36 Ų3655.7 Ų55.737%0.37129%0.289SS..  trans72-2.2-18000000115.1R89 D90R89-G94 PolarHBondContact NH1-O 2.87Å; D90-G94 VanDerWaalsContact O-CA 3.26Å; D90-G94 WeakPolarHBondContact O-CA 3.31Å; D90-G94 PolarHBondContact O-N 3.17Å
95H83.8Confident89.7Confident123 Ų12356.1 Ų56.157%0.56929%0.289SS*.  trans-71.4144.8176.9-60.9-55.2000111.6R89 D90 A93 L97R89-H95 CarbonylContact C-O 3.59Å; R89-H95 VanDerWaalsContact CA-O 3.23Å; R89-H95 WeakPolarHBondContact CA-O 3.38Å; D90-H95 PolarHBondContact N-O 3.31Å; A93-H95 PolarHBondContact O-N 2.89Å; A93-H95 VanDerWaalsContact O-N 3.11Å; H95-L97 PolarHBondContact O-N 3.4Å
96S87.8Confident89.6Confident5 Ų559 Ų594%0.03530%0.303CS..EExtended strand (participates in β ladder)trans-62.9131.6174.7178.90000110.9G98S96-G98 PolarHBondContact O-N 3.27Å; S96-G98 PolarHBondContact OG-N 3.09Å; S96-G98 VanDerWaalsContact OG-N 3.15Å
97L87.8Confident89.5Confident52 Ų5254.6 Ų54.627%0.27228%0.284SS..EExtended strand (participates in β ladder)trans-75.21172.1-61.6-172.8000112.1I88 D90 H95 Y99I88-L97 HydrophobicContact CG2-CD1 3.65Å; I88-L97 HydrophobicContact CG2-CG 4.25Å; I88-L97 PolarHBondContact O-N 3.09Å; D90-L97 HydrophobicContact CB-CD2 3.97Å; H95-L97 PolarHBondContact O-N 3.4Å; L97-Y99 VanDerWaalsContact C-N 3.29Å; L97-Y99 HydrophobicContact CB-CD1 3.71Å; L97-Y99 HydrophobicContact CB-CE1 3.47Å; L97-Y99 VanDerWaalsContact CB-CE1 3.47Å; L97-Y99 HydrophobicContact CD1-CE1 3.79Å; L97-Y99 HydrophobicContact CG-CE1 4.28Å; L97-Y99 PolarHBondContact O-N 3.48Å
98G90.3Very high89.5Confident7 Ų757.1 Ų57.17%0.07230%0.302CS..EExtended strand (participates in β ladder)trans73.521.4178.300000113.5Y62 L63 S96Y62-G98 CarbonylContact C-O 3.56Å; Y62-G98 PolarHBondContact N-O 2.98Å; L63-G98 PolarHBondContact N-O 3.12Å; L63-G98 WeakPolarHBondContact O-CA 3.47Å; S96-G98 PolarHBondContact O-N 3.27Å; S96-G98 PolarHBondContact OG-N 3.09Å; S96-G98 VanDerWaalsContact OG-N 3.15Å
99Y93.5Very high89.6Confident67 Ų6756.2 Ų56.226%0.26330%0.298SS..EExtended strand (participates in β ladder)trans-145.4157.9168.773-82.2000111.4I59 V60 I88 L97 F101I59-Y99 HydrophobicContact CD1-CD2 4.33Å; V60-Y99 CarbonylContact O-C 3.58Å; V60-Y99 WeakPolarHBondContact O-CA 3.37Å; V60-Y99 VanDerWaalsContact O-CB 3.29Å; V60-Y99 WeakPolarHBondContact O-CB 3.44Å; I88-Y99 HydrophobicContact CB-CD2 4.32Å; I88-Y99 HydrophobicContact CB-CE1 4.24Å; I88-Y99 HydrophobicContact CB-CE2 3.91Å; I88-Y99 HydrophobicContact CG1-CD2 4Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE1 4.28Å; I88-Y99 HydrophobicContact CG2-CE2 4.29Å; I88-Y99 PolarHBondContact N-O 3.28Å; L97-Y99 VanDerWaalsContact C-N 3.29Å; L97-Y99 HydrophobicContact CB-CD1 3.71Å; L97-Y99 HydrophobicContact CB-CE1 3.47Å; L97-Y99 VanDerWaalsContact CB-CE1 3.47Å; L97-Y99 HydrophobicContact CD1-CE1 3.79Å; L97-Y99 HydrophobicContact CG-CE1 4.28Å; L97-Y99 PolarHBondContact O-N 3.48Å; Y99-F101 HydrophobicContact CD2-CE2 4.15Å; Y99-F101 HydrophobicContact CD2-CZ 4.47Å; Y99-F101 AromaticContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CZ 4.16Å
100G94.4Very high89.8Confident0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-148.6171.8179.400000111.8V60 K86V60-G100 PolarHBondContact N-O 3.49Å; V60-G100 PolarHBondContact O-N 2.81Å; K86-G100 CarbonylContact O-C 3.42Å; K86-G100 WeakPolarHBondContact O-CA 3.33Å
101F95.6Very high90.2Very high48 Ų4852.8 Ų52.821%0.21129%0.285CS..EExtended strand (participates in β ladder)trans-119142.1174.6-63.3-87.5000109.7L58 I59 A85 K86 I88 Y99 A132L58-F101 CarbonylContact O-C 3.54Å; L58-F101 WeakPolarHBondContact O-CA 3.25Å; I59-F101 HydrophobicContact CB-CD1 4.1Å; I59-F101 HydrophobicContact CB-CE1 3.94Å; I59-F101 HydrophobicContact CD1-CE1 3.88Å; I59-F101 HydrophobicContact CD1-CZ 4.01Å; I59-F101 HydrophobicContact CG1-CD1 4.27Å; I59-F101 HydrophobicContact CG1-CE1 3.88Å; I59-F101 HydrophobicContact CG1-CZ 4.31Å; A85-F101 CarbonylContact C-O 3.54Å; A85-F101 WeakPolarHBondContact CA-O 3.49Å; K86-F101 PolarHBondContact N-O 2.79Å; K86-F101 PolarHBondContact O-N 3.31Å; I88-F101 HydrophobicContact CD1-CD2 3.93Å; I88-F101 HydrophobicContact CD1-CE2 4.02Å; I88-F101 HydrophobicContact CG1-CD2 3.92Å; I88-F101 HydrophobicContact CG1-CE2 3.8Å; Y99-F101 HydrophobicContact CD2-CE2 4.15Å; Y99-F101 HydrophobicContact CD2-CZ 4.47Å; Y99-F101 AromaticContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CZ 4.16Å; F101-A132 HydrophobicContact CD1-CB 3.88Å; F101-A132 HydrophobicContact CE1-CB 4.07Å
102V96.5Very high90.9Very high0 Ų048.1 Ų48.10%026%0.261CS..EExtended strand (participates in β ladder)trans-133.7118.3177.1-178.90000107.8L58 V60 L72 F76 V82 S84 A85 F104L58-V102 WeakPolarHBondContact CB-O 3.4Å; L58-V102 PolarHBondContact N-O 3.11Å; L58-V102 PolarHBondContact O-N 3.31Å; V60-V102 HydrophobicContact CG2-CG2 4.1Å; L72-V102 HydrophobicContact CD1-CG2 4.27Å; L72-V102 HydrophobicContact CD2-CG2 4.19Å; L72-V102 HydrophobicContact CG-CG2 4.07Å; F76-V102 HydrophobicContact CB-CG1 3.81Å; F76-V102 HydrophobicContact CB-CG2 4.48Å; F76-V102 HydrophobicContact CD1-CB 4.26Å; F76-V102 HydrophobicContact CD1-CG1 4Å; F76-V102 HydrophobicContact CD1-CG2 4.23Å; F76-V102 HydrophobicContact CD2-CG2 4.06Å; F76-V102 HydrophobicContact CE2-CG2 4.38Å; F76-V102 HydrophobicContact CG-CB 4.37Å; F76-V102 HydrophobicContact CG-CG1 3.96Å; F76-V102 HydrophobicContact CG-CG2 3.98Å; V82-V102 HydrophobicContact CG1-CG1 3.8Å; V82-V102 HydrophobicContact CG2-CG1 4.08Å; S84-V102 CarbonylContact O-C 3.51Å; S84-V102 WeakPolarHBondContact O-CA 3.42Å; A85-V102 HydrophobicContact CB-CG2 4.33Å; V102-F104 HydrophobicContact CG1-CD2 4.27Å; V102-F104 HydrophobicContact CG1-CE2 3.86Å; V102-F104 HydrophobicContact CG1-CZ 4.35Å
103N94.6Very high91.6Very high29 Ų2943 Ų4316%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-99.7125.1173.1-152.734.6000109.7T56 N57 E83 S84T56-N103 PolarHBondContact O-OD1 3.24Å; T56-N103 PolarHBondContact OG1-OD1 3.16Å; N57-N103 WeakPolarHBondContact CA-OD1 3.25Å; N57-N103 VanDerWaalsContact CB-OD1 3.29Å; N57-N103 WeakPolarHBondContact CB-OD1 3.35Å; N57-N103 PolarHBondContact N-OD1 3.42Å; N57-N103 VanDerWaalsContact N-OD1 3.11Å; E83-N103 PolarHBondContact N-O 3.13Å; E83-N103 PolarHBondContact OE2-ND2 3.13Å; S84-N103 PolarHBondContact N-O 3.11Å; S84-N103 PolarHBondContact O-N 3.04Å; S84-N103 WeakPolarHBondContact OG-CB 3.15Å
104F95.1Very high92.3Very high1 Ų141.9 Ų41.90%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-88.9158.4170.6-77.2-88.6000111T56 L58 F76 E81 V82 V102 N106 D109 A110 A113T56-F104 VanDerWaalsContact CB-O 3.24Å; T56-F104 WeakPolarHBondContact CB-O 3.31Å; T56-F104 PolarHBondContact O-N 3.02Å; L58-F104 HydrophobicContact CD1-CD2 4.06Å; L58-F104 HydrophobicContact CD1-CE2 3.69Å; L58-F104 HydrophobicContact CG-CD2 4.37Å; L58-F104 HydrophobicContact CG-CE2 4.42Å; F76-F104 HydrophobicContact CB-CZ 3.95Å; F76-F104 AromaticContact CD1-CE2 3.88Å; F76-F104 HydrophobicContact CD1-CE2 3.88Å; F76-F104 AromaticContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CG-CZ 4.44Å; E81-F104 WeakPolarHBondContact O-CA 3.14Å; E81-F104 WeakPolarHBondContact O-CD1 3.47Å; V82-F104 HydrophobicContact CG2-CD1 4.19Å; V82-F104 HydrophobicContact CG2-CE1 3.74Å; V82-F104 HydrophobicContact CG2-CZ 4.07Å; V102-F104 HydrophobicContact CG1-CD2 4.27Å; V102-F104 HydrophobicContact CG1-CE2 3.86Å; V102-F104 HydrophobicContact CG1-CZ 4.35Å; F104-N106 WeakPolarHBondContact CB-O 3.24Å; F104-D109 HydrophobicContact CB-CB 4.27Å; F104-D109 HydrophobicContact CD1-CB 3.55Å; F104-D109 HydrophobicContact CE1-CB 4.14Å; F104-D109 HydrophobicContact CG-CB 4.06Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 3.83Å; F104-A110 HydrophobicContact CG-CB 4.23Å; F104-A113 HydrophobicContact CE2-CB 3.68Å; F104-A113 HydrophobicContact CZ-CB 3.65Å
105V92.5Very high92.9Very high69 Ų6944.8 Ų44.842%0.41823%0.231SC..SBendtrans-69.8-39.1169.4179.30000110.2E81 E83E81-V105 HydrophobicContact CB-CB 4.39Å; E81-V105 HydrophobicContact CB-CG2 4.08Å; E81-V105 HydrophobicContact CG-CG2 3.8Å; E81-V105 PolarHBondContact O-N 2.97Å; E83-V105 HydrophobicContact CB-CG2 4.03Å
106N91.9Very high93.3Very high73 Ų7343.5 Ų43.539%0.3923%0.232SC..SBendtrans-115.1142.9-175.7-53.2-61.5000112.2F104 S108 D109 A110F104-N106 WeakPolarHBondContact CB-O 3.24Å; N106-S108 VanDerWaalsContact C-N 3.34Å; N106-S108 PolarHBondContact O-N 2.81Å; N106-D109 HydrophobicContact CB-CB 4.33Å; N106-D109 PolarHBondContact ND2-OD2 2.83Å; N106-D109 PolarHBondContact O-N 2.96Å; N106-A110 PolarHBondContact O-N 2.84Å
107H91.8Very high93.6Very high37 Ų3743.8 Ų43.817%0.17123%0.233CC..Hα-helixtrans-63.2-40.8175174.671.1000111.9D52 D53 R55 T56 D109 A110 E111 F131D52-H107 PolarHBondContact O-CE1 3.47Å; D52-H107 VanDerWaalsContact O-CE1 3.28Å; D53-H107 PolarHBondContact O-CD2 2.76Å; R55-H107 PolarHBondContact N-ND1 3.25Å; R55-H107 PolarHBondContact O-ND1 2.66Å; T56-H107 HydrophobicContact CG2-CB 4.31Å; H107-D109 VanDerWaalsContact C-N 3.27Å; H107-D109 PolarHBondContact O-N 2.8Å; H107-A110 WeakPolarHBondContact O-CB 3.21Å; H107-A110 PolarHBondContact O-N 2.9Å; H107-E111 PolarHBondContact O-N 2.79Å; H107-F131 AromaticContact CE1-CZ 3.71Å
108S93.4Very high93.9Very high62 Ų6245.1 Ų45.143%0.43424%0.241SC..Hα-helixtrans-58.8-37.5177.254.40000112.8N106 R112N106-S108 VanDerWaalsContact C-N 3.34Å; N106-S108 PolarHBondContact O-N 2.81Å; S108-R112 VanDerWaalsContact O-CG 3.31Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.33Å; S108-R112 VanDerWaalsContact O-N 3.08Å
109D94.8Very high94Very high13 Ų1346.9 Ų46.97%0.0726%0.259CS..Hα-helixtrans-68.9-39.3176.1-66.7-25.5000111.4F104 N106 H107 R112 A113F104-D109 HydrophobicContact CB-CB 4.27Å; F104-D109 HydrophobicContact CD1-CB 3.55Å; F104-D109 HydrophobicContact CE1-CB 4.14Å; F104-D109 HydrophobicContact CG-CB 4.06Å; N106-D109 HydrophobicContact CB-CB 4.33Å; N106-D109 PolarHBondContact ND2-OD2 2.83Å; N106-D109 PolarHBondContact O-N 2.96Å; H107-D109 VanDerWaalsContact C-N 3.27Å; H107-D109 PolarHBondContact O-N 2.8Å; D109-R112 IonicContact OD1-CZ 3.23Å; D109-R112 VanDerWaalsContact OD1-CZ 3.23Å; D109-R112 IonicContact OD1-NH1 3.51Å; D109-R112 IonicContact OD1-NH2 2.64Å; D109-R112 PolarHBondContact OD1-NH2 3.34Å; D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 2.99Å
110A93.7Very high93.9Very high0 Ų046.7 Ų46.70%026%0.262CS..Hα-helixtrans-64-43.9176.600000112L58 F104 N106 H107 A113 I114 F131L58-A110 HydrophobicContact CD1-CB 4.34Å; L58-A110 HydrophobicContact CD2-CB 4.02Å; L58-A110 HydrophobicContact CG-CB 4.19Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 3.83Å; F104-A110 HydrophobicContact CG-CB 4.23Å; N106-A110 PolarHBondContact O-N 2.84Å; H107-A110 WeakPolarHBondContact O-CB 3.21Å; H107-A110 PolarHBondContact O-N 2.9Å; A110-A113 WeakPolarHBondContact O-CB 3.29Å; A110-A113 PolarHBondContact O-N 2.86Å; A110-I114 PolarHBondContact O-N 2.98Å; A110-F131 HydrophobicContact CB-CE1 4.14Å
111E94.4Very high93.9Very high108 Ų10855.6 Ų55.651%0.50530%0.295SS..Hα-helixtrans-62.6-49.2176.5-170.8-175.3-141.900111.2H107 A113 I114 S115H107-E111 PolarHBondContact O-N 2.79Å; E111-A113 PolarHBondContact O-N 2.79Å; E111-I114 WeakPolarHBondContact O-CB 3.5Å; E111-I114 PolarHBondContact O-N 2.87Å; E111-S115 PolarHBondContact O-N 3.14Å; E111-S115 PolarHBondContact O-OG 3.2Å
112R95Very high93.6Very high118 Ų11855 Ų5545%0.44529%0.294SS..Hα-helixtrans-57.5-37175-71.4-168.1-37.6-131.32.2112.1V79 S108 D109 S115 T116V79-R112 HydrophobicContact CG1-CB 3.79Å; V79-R112 PolarHBondContact O-NH2 3.22Å; S108-R112 VanDerWaalsContact O-CG 3.31Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.33Å; S108-R112 VanDerWaalsContact O-N 3.08Å; D109-R112 IonicContact OD1-CZ 3.23Å; D109-R112 VanDerWaalsContact OD1-CZ 3.23Å; D109-R112 IonicContact OD1-NH1 3.51Å; D109-R112 IonicContact OD1-NH2 2.64Å; D109-R112 PolarHBondContact OD1-NH2 3.34Å; R112-S115 PolarHBondContact O-N 3.44Å; R112-T116 VanDerWaalsContact O-CB 3.25Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 PolarHBondContact O-N 3.04Å; R112-T116 PolarHBondContact O-OG1 2.62Å
113A95.1Very high93.1Very high0 Ų061.5 Ų61.50%033%0.325CS..Hα-helixtrans-66.7-38.7178.400000111.6L58 F76 V79 F104 D109 A110 E111 L117L58-A113 HydrophobicContact CD1-CB 3.88Å; F76-A113 HydrophobicContact CD1-CB 4.16Å; F76-A113 HydrophobicContact CE1-CB 4.36Å; V79-A113 HydrophobicContact CB-CB 4.24Å; V79-A113 HydrophobicContact CG1-CB 3.94Å; V79-A113 HydrophobicContact CG2-CB 4.43Å; F104-A113 HydrophobicContact CE2-CB 3.68Å; F104-A113 HydrophobicContact CZ-CB 3.65Å; D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 2.99Å; A110-A113 WeakPolarHBondContact O-CB 3.29Å; A110-A113 PolarHBondContact O-N 2.86Å; E111-A113 PolarHBondContact O-N 2.79Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CA 3.36Å; A113-L117 WeakPolarHBondContact O-CB 3.24Å; A113-L117 PolarHBondContact O-N 3.19Å
114I95.1Very high92.7Very high31 Ų3165.1 Ų65.116%0.15935%0.352CS..Hα-helixtrans-61.9-51.9170.9-64.8166.6000109.8L58 A110 E111 T116 N118 V129 F131L58-I114 HydrophobicContact CD1-CG1 4.14Å; L58-I114 HydrophobicContact CD2-CD1 3.64Å; L58-I114 HydrophobicContact CD2-CG1 3.8Å; A110-I114 PolarHBondContact O-N 2.98Å; E111-I114 WeakPolarHBondContact O-CB 3.5Å; E111-I114 PolarHBondContact O-N 2.87Å; I114-T116 PolarHBondContact O-N 3.44Å; I114-N118 HydrophobicContact CG2-CB 4.46Å; I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 PolarHBondContact O-N 2.78Å; I114-N118 VanDerWaalsContact O-N 3.1Å; I114-V129 HydrophobicContact CG1-CG1 3.96Å; I114-F131 HydrophobicContact CD1-CD1 3.96Å; I114-F131 HydrophobicContact CD1-CD2 3.66Å; I114-F131 HydrophobicContact CD1-CE1 3.79Å; I114-F131 HydrophobicContact CD1-CE2 3.51Å; I114-F131 HydrophobicContact CD1-CG 3.88Å; I114-F131 HydrophobicContact CD1-CZ 3.58Å
115S93.5Very high92.3Very high98 Ų9868.2 Ų68.269%0.68537%0.366SS*.Hα-helixtrans-62.2-30.8-176.5-53.50000113.6E111 R112E111-S115 PolarHBondContact O-N 3.14Å; E111-S115 PolarHBondContact O-OG 3.2Å; R112-S115 PolarHBondContact O-N 3.44Å
116T93.1Very high92.3Very high96 Ų9668.6 Ų68.659%0.58937%0.369SS*.Hα-helixtrans-97.3-40-173.5-48.90000113.2R112 I114R112-T116 VanDerWaalsContact O-CB 3.25Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 PolarHBondContact O-N 3.04Å; R112-T116 PolarHBondContact O-OG1 2.62Å; I114-T116 PolarHBondContact O-N 3.44Å
117L94.3Very high92.4Very high11 Ų1165.2 Ų65.26%0.05835%0.35CS..Hα-helixtrans-101-17.2-171.7-56.6176.6000113.3L75 F76 V79 A113 G119 L120 I127 V129L75-L117 HydrophobicContact CD1-CD2 4.39Å; F76-L117 HydrophobicContact CD1-CD1 3.68Å; F76-L117 HydrophobicContact CD2-CD1 4.19Å; F76-L117 HydrophobicContact CE1-CD1 3.69Å; F76-L117 HydrophobicContact CE2-CD1 4.19Å; F76-L117 HydrophobicContact CG-CD1 3.94Å; F76-L117 HydrophobicContact CZ-CD1 3.94Å; V79-L117 HydrophobicContact CG2-CD1 3.78Å; V79-L117 HydrophobicContact CG2-CD2 4.34Å; V79-L117 HydrophobicContact CG2-CG 3.99Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CA 3.36Å; A113-L117 WeakPolarHBondContact O-CB 3.24Å; A113-L117 PolarHBondContact O-N 3.19Å; L117-G119 PolarHBondContact O-N 3.17Å; L117-L120 HydrophobicContact CD2-CD2 4.24Å; L117-L120 VanDerWaalsContact O-CB 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.1Å; L117-L120 PolarHBondContact O-N 2.82Å; L117-L120 VanDerWaalsContact O-N 3.09Å; L117-I127 WeakPolarHBondContact O-CG1 3.34Å; L117-V129 HydrophobicContact CB-CG2 4.18Å
118N93.3Very high92.5Very high79 Ų7966.8 Ų66.842%0.42236%0.357SS..THydrogen-bonded Turntrans-64127.8173.2-173.433.3000110.1I114 L120 K128 V129I114-N118 HydrophobicContact CG2-CB 4.46Å; I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 PolarHBondContact O-N 2.78Å; I114-N118 VanDerWaalsContact O-N 3.1Å; N118-L120 VanDerWaalsContact C-N 3.34Å; N118-K128 WeakPolarHBondContact OD1-CA 3.12Å; N118-V129 HydrophobicContact CB-CB 4.08Å; N118-V129 HydrophobicContact CB-CG2 4.48Å; N118-V129 PolarHBondContact OD1-N 2.83Å
119G91.8Very high92.5Very high44 Ų4464 Ų6445%0.45434%0.337SS..THydrogen-bonded Turntrans85.23.1-17500000114.5L117 R121 T126 I127L117-G119 PolarHBondContact O-N 3.17Å; G119-R121 PolarHBondContact O-N 3.37Å; G119-T126 WeakPolarHBondContact O-CG2 3.23Å; G119-I127 WeakPolarHBondContact CA-O 3.29Å; G119-I127 PolarHBondContact N-O 3.35Å
120L92.8Very high92.4Very high63 Ų6365.2 Ų65.233%0.3335%0.347SS..  trans-64.9131.7175.4-176.669.4000110.5L75 L117 N118 L122 T126 I127L75-L120 HydrophobicContact CD1-CD2 4Å; L75-L120 HydrophobicContact CD2-CD2 4.24Å; L117-L120 HydrophobicContact CD2-CD2 4.24Å; L117-L120 VanDerWaalsContact O-CB 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.1Å; L117-L120 PolarHBondContact O-N 2.82Å; L117-L120 VanDerWaalsContact O-N 3.09Å; N118-L120 VanDerWaalsContact C-N 3.34Å; L120-L122 HydrophobicContact CD2-CD2 3.88Å; L120-L122 HydrophobicContact CD2-CG 4.49Å; L120-L122 HydrophobicContact CG-CD2 4.13Å; L120-T126 WeakPolarHBondContact O-CA 3.14Å; L120-I127 HydrophobicContact CB-CD1 4.04Å; L120-I127 HydrophobicContact CB-CG1 3.93Å; L120-I127 HydrophobicContact CD2-CD1 4.43Å; L120-I127 WeakPolarHBondContact O-CG1 3.42Å; L120-I127 PolarHBondContact O-N 2.87Å
121R93.1Very high92.4Very high187 Ų18767.3 Ų67.371%0.70636%0.356SS*.EExtended strand (participates in β ladder)trans-89.5114.8179.2-169.6171.8174.5178.2-0.5110.6G119 K125G119-R121 PolarHBondContact O-N 3.37Å; R121-K125 CarbonylContact C-O 3.53Å; R121-K125 WeakPolarHBondContact CA-O 3.37Å
122L89.3Confident92.1Very high36 Ų3662.7 Ų62.719%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-113.4113.8174.3-58.6-175.5000109.3P64 M67 L75 L120 S124 K125 I127P64-L122 HydrophobicContact CG-CB 3.78Å; M67-L122 HydrophobicContact CE-CD1 3.94Å; M67-L122 HydrophobicContact SD-CD1 4.1Å; L75-L122 HydrophobicContact CD2-CD1 4.11Å; L120-L122 HydrophobicContact CD2-CD2 3.88Å; L120-L122 HydrophobicContact CD2-CG 4.49Å; L120-L122 HydrophobicContact CG-CD2 4.13Å; L122-S124 PolarHBondContact O-N 3.46Å; L122-S124 VanDerWaalsContact O-N 3.17Å; L122-K125 CarbonylContact C-O 3.56Å; L122-K125 PolarHBondContact N-O 3.15Å; L122-K125 PolarHBondContact O-N 3.24Å; L122-K125 VanDerWaalsContact O-O 3.05Å; L122-I127 HydrophobicContact CB-CG2 4.41Å; L122-I127 HydrophobicContact CD1-CD1 4.36Å; L122-I127 HydrophobicContact CD1-CG2 3.67Å; L122-I127 HydrophobicContact CG-CG2 4Å
123Q86.9Confident91.5Very high136 Ų13660.4 Ų60.464%0.63633%0.327SS*.THydrogen-bonded Turntrans54-116.8-175.3-57171.45.900111.5S66S66-Q123 PolarHBondContact OG-NE2 3.4Å; S66-Q123 VanDerWaalsContact OG-NE2 3.09Å; S66-Q123 PolarHBondContact OG-OE1 3.06Å
124S85.3Confident90.6Very high105 Ų10564.7 Ų64.773%0.73436%0.355SS*.THydrogen-bonded Turntrans-944178.459.10000114L122L122-S124 PolarHBondContact O-N 3.46Å; L122-S124 VanDerWaalsContact O-N 3.17Å
125K87.9Confident89.3Confident67 Ų6768.6 Ų68.629%0.29139%0.385SS..EExtended strand (participates in β ladder)trans-120.4148.4-176.2-61-168.7-177-177.90112.1Y62 L63 R121 L122Y62-K125 VanDerWaalsContact O-CB 3.24Å; Y62-K125 WeakPolarHBondContact O-CB 3.39Å; Y62-K125 WeakPolarHBondContact O-CD 3.29Å; L63-K125 WeakPolarHBondContact O-CD 3.48Å; L63-K125 PolarHBondContact O-NZ 3.03Å; R121-K125 CarbonylContact C-O 3.53Å; R121-K125 WeakPolarHBondContact CA-O 3.37Å; L122-K125 CarbonylContact C-O 3.56Å; L122-K125 PolarHBondContact N-O 3.15Å; L122-K125 PolarHBondContact O-N 3.24Å; L122-K125 VanDerWaalsContact O-O 3.05Å
126T91.9Very high88.2Confident77 Ų7766.3 Ų66.347%0.47237%0.369SS..EExtended strand (participates in β ladder)trans-104.3115.6169.4-59.30000107.3Y62 G119 L120Y62-T126 WeakPolarHBondContact CB-O 3.46Å; G119-T126 WeakPolarHBondContact O-CG2 3.23Å; L120-T126 WeakPolarHBondContact O-CA 3.14Å
127I93.9Very high87.1Confident2 Ų267.5 Ų67.51%0.0137%0.372CS..  trans-73.3145.8-177.369172.7000110.1V60 N61 L63 L75 L117 G119 L120 L122 V129V60-I127 HydrophobicContact CG1-CB 4.32Å; V60-I127 HydrophobicContact CG1-CD1 4.24Å; N61-I127 WeakPolarHBondContact O-CA 3.41Å; L63-I127 HydrophobicContact CD2-CG2 3.83Å; L75-I127 HydrophobicContact CD2-CD1 4.32Å; L117-I127 WeakPolarHBondContact O-CG1 3.34Å; G119-I127 WeakPolarHBondContact CA-O 3.29Å; G119-I127 PolarHBondContact N-O 3.35Å; L120-I127 HydrophobicContact CB-CD1 4.04Å; L120-I127 HydrophobicContact CB-CG1 3.93Å; L120-I127 HydrophobicContact CD2-CD1 4.43Å; L120-I127 WeakPolarHBondContact O-CG1 3.42Å; L120-I127 PolarHBondContact O-N 2.87Å; L122-I127 HydrophobicContact CB-CG2 4.41Å; L122-I127 HydrophobicContact CD1-CD1 4.36Å; L122-I127 HydrophobicContact CD1-CG2 3.67Å; L122-I127 HydrophobicContact CG-CG2 4Å; I127-V129 HydrophobicContact CD1-CG2 4.13Å; I127-V129 HydrophobicContact CG1-CG2 4.37Å
128K92.9Very high86Confident70 Ų7071 Ų7130%0.30439%0.394SS..EExtended strand (participates in β ladder)trans-115.4120.1173.7-177.7176.2179.1176.40109.1V60 N61 Y62 N118V60-K128 CarbonylContact C-O 3.6Å; V60-K128 WeakPolarHBondContact CA-O 3.22Å; N61-K128 HydrophobicContact CB-CB 4.33Å; N61-K128 PolarHBondContact N-O 2.87Å; N61-K128 PolarHBondContact O-N 3.45Å; Y62-K128 HydrophobicContact CD2-CB 3.72Å; Y62-K128 HydrophobicContact CE2-CB 3.83Å; Y62-K128 HydrophobicContact CE2-CD 4.25Å; N118-K128 WeakPolarHBondContact OD1-CA 3.12Å
129V94.8Very high85.1Confident2 Ų268.4 Ų68.41%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-109.9131-179.9-169.80000108.2L58 V60 F76 I114 L117 N118 I127L58-V129 HydrophobicContact CB-CG1 4.37Å; L58-V129 HydrophobicContact CD1-CG1 3.82Å; V60-V129 HydrophobicContact CG1-CG2 4.21Å; F76-V129 HydrophobicContact CE1-CG1 3.91Å; F76-V129 HydrophobicContact CE1-CG2 4.31Å; F76-V129 HydrophobicContact CZ-CG1 4.21Å; F76-V129 HydrophobicContact CZ-CG2 3.88Å; I114-V129 HydrophobicContact CG1-CG1 3.96Å; L117-V129 HydrophobicContact CB-CG2 4.18Å; N118-V129 HydrophobicContact CB-CB 4.08Å; N118-V129 HydrophobicContact CB-CG2 4.48Å; N118-V129 PolarHBondContact OD1-N 2.83Å; I127-V129 HydrophobicContact CD1-CG2 4.13Å; I127-V129 HydrophobicContact CG1-CG2 4.37Å
130S92.4Very high84.3Confident40 Ų4071.5 Ų71.528%0.2838%0.381SS..EExtended strand (participates in β ladder)trans-153.1164.1175.559.50000109.9L58 I59 A132L58-S130 CarbonylContact C-O 3.48Å; L58-S130 WeakPolarHBondContact CA-O 3.34Å; I59-S130 WeakPolarHBondContact CG2-OG 3.39Å; I59-S130 PolarHBondContact N-O 3.34Å; I59-S130 PolarHBondContact O-N 2.79Å; I59-S130 VanDerWaalsContact O-N 3.13Å; S130-A132 PolarHBondContact O-N 3.11Å
131F92.6Very high83.6Confident44 Ų4471.8 Ų71.819%0.19338%0.383CS..EExtended strand (participates in β ladder)trans-55.9134.3171.1-68.1-66.1000111.1R55 L58 H107 A110 I114R55-F131 HydrophobicContact CB-CD1 3.56Å; R55-F131 HydrophobicContact CB-CE1 3.91Å; R55-F131 HydrophobicContact CB-CG 4.1Å; R55-F131 WeakPolarHBondContact O-CE1 3.23Å; L58-F131 HydrophobicContact CD2-CD1 3.51Å; L58-F131 HydrophobicContact CD2-CE1 3.82Å; L58-F131 HydrophobicContact CD2-CG 4.28Å; H107-F131 AromaticContact CE1-CZ 3.71Å; A110-F131 HydrophobicContact CB-CE1 4.14Å; I114-F131 HydrophobicContact CD1-CD1 3.96Å; I114-F131 HydrophobicContact CD1-CD2 3.66Å; I114-F131 HydrophobicContact CD1-CE1 3.79Å; I114-F131 HydrophobicContact CD1-CE2 3.51Å; I114-F131 HydrophobicContact CD1-CG 3.88Å; I114-F131 HydrophobicContact CD1-CZ 3.58Å
132A88.7Confident83.3Confident10 Ų1062.9 Ų62.98%0.08335%0.349CS..PPolyproline II helixtrans-72.6141.7174.100000109N57 I59 F101 S130N57-A132 HydrophobicContact CB-CB 4.04Å; N57-A132 WeakPolarHBondContact O-CB 3.38Å; N57-A132 PolarHBondContact O-N 2.94Å; I59-A132 HydrophobicContact CB-CB 4.21Å; F101-A132 HydrophobicContact CD1-CB 3.88Å; F101-A132 HydrophobicContact CE1-CB 4.07Å; S130-A132 PolarHBondContact O-N 3.11Å
133R81.9Confident83.5Confident70 Ų7062.9 Ų62.926%0.26435%0.349SS..PPolyproline II helixtrans-98.1144.5173.3-65.6-18062.5-142.2-2.8109.7S135 D191R133-S135 PolarHBondContact O-N 3.18Å; R133-D191 VanDerWaalsContact CZ-O 3.31Å; R133-D191 IonicContact CZ-OD1 3.06Å; R133-D191 IonicContact CZ-OD2 2.71Å; R133-D191 IonicContact NE-OD1 3.87Å; R133-D191 PolarHBondContact NE-OD1 2.89Å; R133-D191 PolarHBondContact NH1-O 3.32Å; R133-D191 IonicContact NH1-OD1 2.67Å; R133-D191 PolarHBondContact NH1-OD1 3Å; R133-D191 PolarHBondContact NH2-O 3.28Å; R133-D191 IonicContact NH2-OD1 3.58Å; R133-D191 PolarHBondContact NH2-OD1 3.2Å; R133-D191 IonicContact NH2-OD2 2.86Å; R133-D191 PolarHBondContact NH2-OD2 3.02Å
134P76.3Confident83.8Confident90 Ų9056.4 Ų56.458%0.58432%0.319SS*.PPolyproline II helixtrans-52.2133.4171.6-24.733.5000110.3S136 I139P134-S136 PolarHBondContact O-N 3.5Å; P134-I139 VanDerWaalsContact O-CD1 3.23Å; P134-I139 WeakPolarHBondContact O-CD1 3.49Å
135S69.4Low84.2Confident113 Ų11355.3 Ų55.379%0.7930%0.299SS*.  trans-71101.7176.9-68.80000109.3R133R133-S135 PolarHBondContact O-N 3.18Å
136S70.2Confident84.5Confident50 Ų5052.1 Ų52.135%0.3529%0.285SS..  trans-115.4153.6173.1-171.90000110.9P134 T138 I139P134-S136 PolarHBondContact O-N 3.5Å; S136-T138 PolarHBondContact O-N 2.99Å; S136-T138 PolarHBondContact OG-OG1 3.43Å; S136-I139 WeakPolarHBondContact O-CG1 3.42Å; S136-I139 PolarHBondContact O-N 2.83Å
137D69.2Low84.5Confident121 Ų12149.7 Ų49.765%0.64727%0.271SS*.G310 helixtrans-65.1-24.9174-70.9-42.3000111.9I139 K140D137-I139 PolarHBondContact O-N 3.23Å; D137-K140 PolarHBondContact O-N 3.18Å; D137-K140 WeakPolarHBondContact OD1-CE 3.18Å; D137-K140 IonicContact OD1-NZ 3.99Å; D137-K140 PolarHBondContact OD1-NZ 2.9Å
138T71.6Confident84.3Confident85 Ų8551 Ų5152%0.52129%0.286SS..G310 helixtrans-70.1-17.8177.859.30000114S136 R193S136-T138 PolarHBondContact O-N 2.99Å; S136-T138 PolarHBondContact OG-OG1 3.43Å; T138-R193 WeakPolarHBondContact O-CB 3.26Å; T138-R193 PolarHBondContact O-N 2.83Å
139I74.1Confident84.2Confident24 Ų2448.2 Ų48.212%0.12327%0.274CS..G310 helixtrans-100.2-4.8179.468.9155.1000112.6P134 S136 D137 D191P134-I139 VanDerWaalsContact O-CD1 3.23Å; P134-I139 WeakPolarHBondContact O-CD1 3.49Å; S136-I139 WeakPolarHBondContact O-CG1 3.42Å; S136-I139 PolarHBondContact O-N 2.83Å; D137-I139 PolarHBondContact O-N 3.23Å; I139-D191 WeakPolarHBondContact CG2-O 3.12Å
140K74.6Confident83.9Confident109 Ų10948.9 Ų48.947%0.47428%0.279SS..THydrogen-bonded Turntrans-79.6147172.6-63.6177.3-172.3166.90108.8D137 A142D137-K140 PolarHBondContact O-N 3.18Å; D137-K140 WeakPolarHBondContact OD1-CE 3.18Å; D137-K140 IonicContact OD1-NZ 3.99Å; D137-K140 PolarHBondContact OD1-NZ 2.9Å; K140-A142 PolarHBondContact O-N 3.02Å; K140-A142 VanDerWaalsContact O-N 3.13Å
141D77.7Confident83.6Confident69 Ų6955.1 Ų55.137%0.36930%0.296SS..THydrogen-bonded Turntrans58.124.4176.4-52.3-34.6000115.9N143 R193 F219D141-N143 PolarHBondContact O-N 2.89Å; D141-R193 IonicContact OD2-NH1 2.89Å; D141-F219 WeakPolarHBondContact O-CD1 3.39Å; D141-F219 VanDerWaalsContact O-CE1 3.26Å; D141-F219 WeakPolarHBondContact O-CE1 3.27Å
142A88.8Confident83.3Confident0 Ų058.6 Ų58.60%032%0.321CS..  trans-83.917.3172.500000113.3K140 R189 Y190 A196K140-A142 PolarHBondContact O-N 3.02Å; K140-A142 VanDerWaalsContact O-N 3.13Å; A142-R189 WeakPolarHBondContact O-CA 3.07Å; A142-Y190 PolarHBondContact O-N 2.85Å; A142-A196 HydrophobicContact CB-CB 4.45Å
143N91.6Very high83.2Confident36 Ų3658.9 Ų58.919%0.19332%0.321CS..EExtended strand (participates in β ladder)trans-93.5127.6180-63.1-27.3000109.4D141 I188 R189 A220 N222D141-N143 PolarHBondContact O-N 2.89Å; N143-I188 CarbonylContact C-O 3.52Å; N143-R189 WeakPolarHBondContact OD1-CB 3.23Å; N143-R189 WeakPolarHBondContact OD1-CD 3.5Å; N143-R189 WeakPolarHBondContact OD1-CG 3.41Å; N143-A220 HydrophobicContact CB-CB 3.91Å; N143-A220 PolarHBondContact O-N 2.63Å; N143-N222 PolarHBondContact ND2-OD1 2.92Å
144L93.8Very high83.6Confident0 Ų058 Ų580%033%0.326CS..EExtended strand (participates in β ladder)trans-109.3142.4176.1-59.5-172.8000110.9I146 F162 F187 I188 Y190 A196 A199 V200 V217 K218 F219L144-I146 HydrophobicContact CB-CD1 4.05Å; L144-F162 HydrophobicContact CD1-CE1 4.48Å; L144-F187 VanDerWaalsContact O-CA 3.26Å; L144-F187 WeakPolarHBondContact O-CA 3.13Å; L144-I188 PolarHBondContact N-O 3.2Å; L144-I188 PolarHBondContact O-N 3.41Å; L144-I188 VanDerWaalsContact O-N 3.07Å; L144-Y190 HydrophobicContact CD1-CD2 3.99Å; L144-Y190 HydrophobicContact CD1-CE2 3.61Å; L144-Y190 HydrophobicContact CG-CD2 4.38Å; L144-Y190 HydrophobicContact CG-CE2 4.44Å; L144-A196 HydrophobicContact CD1-CB 4.31Å; L144-A196 HydrophobicContact CD2-CB 3.92Å; L144-A196 HydrophobicContact CG-CB 4.09Å; L144-A199 HydrophobicContact CD1-CB 3.95Å; L144-V200 HydrophobicContact CD1-CG2 4.13Å; L144-V200 HydrophobicContact CD2-CG2 3.48Å; L144-V200 VanDerWaalsContact CD2-CG2 3.48Å; L144-V200 HydrophobicContact CG-CG2 4.45Å; L144-V217 HydrophobicContact CB-CG1 4.45Å; L144-V217 HydrophobicContact CD1-CG1 3.83Å; L144-K218 CarbonylContact C-O 3.52Å; L144-K218 VanDerWaalsContact CA-O 3.32Å; L144-K218 WeakPolarHBondContact CA-O 3.42Å; L144-F219 HydrophobicContact CD2-CD1 3.9Å; L144-F219 HydrophobicContact CD2-CE1 3.92Å; L144-F219 HydrophobicContact CD2-CG 4.38Å; L144-F219 HydrophobicContact CD2-CZ 4.4Å
145Y94.4Very high84.2Confident82 Ų8258 Ų5832%0.32232%0.318SS..EExtended strand (participates in β ladder)trans-105.6125.1167.1174.6-91.7000108V185 F187 K218Y145-V185 HydrophobicContact CD2-CG1 4.01Å; Y145-V185 HydrophobicContact CE2-CG1 3.24Å; Y145-F187 HydrophobicContact CD2-CD1 4.37Å; Y145-F187 AromaticContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE2 4.34Å; Y145-F187 AromaticContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CE2-CZ 4.12Å; Y145-F187 HydrophobicContact CG-CE1 4.43Å; Y145-K218 PolarHBondContact N-O 3.27Å; Y145-K218 PolarHBondContact O-N 3.39Å
146I94.1Very high85.2Confident0 Ų057.6 Ų57.60%030%0.304CS..EExtended strand (participates in β ladder)trans-117.5127.5179.9-52.986.9000107.8L144 L149 F162 V185 A186 I188 I215 T216 V217L144-I146 HydrophobicContact CB-CD1 4.05Å; I146-L149 HydrophobicContact CB-CD1 4.24Å; I146-L149 HydrophobicContact CG2-CD1 3.86Å; I146-L149 HydrophobicContact CG2-CD2 3.84Å; I146-L149 HydrophobicContact CG2-CG 3.81Å; I146-F162 HydrophobicContact CD1-CZ 4.44Å; I146-F162 HydrophobicContact CG1-CE1 4.12Å; I146-F162 HydrophobicContact CG1-CE2 4.28Å; I146-F162 HydrophobicContact CG1-CZ 3.63Å; I146-F162 HydrophobicContact CG2-CZ 4.22Å; I146-V185 CarbonylContact O-C 3.49Å; I146-V185 WeakPolarHBondContact O-CA 3.26Å; I146-V185 WeakPolarHBondContact O-CG1 3.35Å; I146-A186 HydrophobicContact CB-CB 4.48Å; I146-A186 WeakPolarHBondContact CD1-O 3.44Å; I146-A186 PolarHBondContact N-O 3.44Å; I146-A186 PolarHBondContact O-N 2.8Å; I146-I188 HydrophobicContact CD1-CB 4.01Å; I146-I188 HydrophobicContact CD1-CD1 3.89Å; I146-I188 HydrophobicContact CD1-CG1 3.75Å; I146-I215 HydrophobicContact CG2-CB 4.37Å; I146-I215 HydrophobicContact CG2-CD1 4.38Å; I146-T216 CarbonylContact C-O 3.57Å; I146-T216 VanDerWaalsContact CA-O 3.3Å; I146-T216 WeakPolarHBondContact CA-O 3.44Å; I146-V217 HydrophobicContact CG1-CG1 4.29Å; I146-V217 HydrophobicContact CG1-CG2 4.42Å; I146-V217 HydrophobicContact CG2-CG2 4.31Å
147S92.8Very high86.1Confident26 Ų2659 Ų5918%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-131.6159.4174.558.40000112G184 I215 T216S147-G184 CarbonylContact C-O 3.56Å; S147-G184 WeakPolarHBondContact CA-O 3.49Å; S147-I215 CarbonylContact O-C 3.58Å; S147-I215 WeakPolarHBondContact O-CA 3.48Å; S147-T216 PolarHBondContact N-O 3.39Å; S147-T216 PolarHBondContact O-N 3.43Å
148G89.2Confident87.2Confident31 Ų3153.3 Ų53.332%0.3228%0.277SS..SBendtrans8420.9-174.800000112.4G184 I215G148-G184 PolarHBondContact N-O 3.06Å; G148-I215 WeakPolarHBondContact O-CG2 3.41Å
149L90.6Very high88.2Confident10 Ų1051.9 Ų51.95%0.05226%0.264CS..  trans-75.4141.2174.8-65167.4000110.2I146 L153 L158 G184 A186 I215I146-L149 HydrophobicContact CB-CD1 4.24Å; I146-L149 HydrophobicContact CG2-CD1 3.86Å; I146-L149 HydrophobicContact CG2-CD2 3.84Å; I146-L149 HydrophobicContact CG2-CG 3.81Å; L149-L153 HydrophobicContact CD2-CD1 4.14Å; L149-L153 HydrophobicContact CD2-CD2 4.27Å; L149-L158 HydrophobicContact CD1-CD1 3.9Å; L149-L158 HydrophobicContact CD2-CD1 4.02Å; L149-G184 PolarHBondContact N-O 2.9Å; L149-G184 WeakPolarHBondContact O-CA 3.43Å; L149-A186 HydrophobicContact CD1-CB 3.46Å; L149-A186 VanDerWaalsContact CD1-CB 3.46Å; L149-I215 HydrophobicContact CD2-CG2 3.68Å; L149-I215 HydrophobicContact CG-CG2 4.34Å
150P88.6Confident89Confident17 Ų1755 Ų5511%0.1128%0.281CS..  trans-57.1142.9170.9-2333000110.7T152 L153 P208 G211P150-T152 PolarHBondContact O-N 3Å; P150-L153 HydrophobicContact CB-CB 4.2Å; P150-L153 HydrophobicContact CG-CB 4.43Å; P150-L153 WeakPolarHBondContact O-CB 3.39Å; P150-L153 PolarHBondContact O-N 2.85Å; P150-P208 VanDerWaalsContact CD-CG 3.44Å; P150-P208 HydrophobicContact CG-CB 4.48Å; P150-P208 HydrophobicContact CG-CG 3.78Å; P150-G211 VanDerWaalsContact CG-CA 3.49Å
151R86.7Confident89.7Confident170 Ų17051.5 Ų51.564%0.64227%0.267SS*.THydrogen-bonded Turntrans-66.7-19.7179-62.1-174.4-173.9-94.15.2113.1S182R151-S182 PolarHBondContact NH1-O 3.24Å; R151-S182 WeakPolarHBondContact O-CB 3.21Å
152T86.1Confident90.4Very high118 Ų11848.2 Ų48.272%0.72425%0.249SC*.THydrogen-bonded Turntrans-82.2-15.2175.751.50000113.1P150 S154P150-T152 PolarHBondContact O-N 3Å; T152-S154 PolarHBondContact O-N 2.67Å
153L86.3Confident90.7Very high16 Ų1651.4 Ų51.48%0.08427%0.271CS..  trans-73.3121.6-176.4-169.7147.8000110L149 P150 D157 L158 P208L149-L153 HydrophobicContact CD2-CD1 4.14Å; L149-L153 HydrophobicContact CD2-CD2 4.27Å; P150-L153 HydrophobicContact CB-CB 4.2Å; P150-L153 HydrophobicContact CG-CB 4.43Å; P150-L153 WeakPolarHBondContact O-CB 3.39Å; P150-L153 PolarHBondContact O-N 2.85Å; L153-D157 HydrophobicContact CD2-CB 4.4Å; L153-D157 HydrophobicContact CG-CB 4.09Å; L153-L158 HydrophobicContact CD2-CB 3.79Å; L153-L158 HydrophobicContact CD2-CD1 4.18Å; L153-P208 HydrophobicContact CD1-CB 3.96Å
154S88.9Confident90.7Very high51 Ų5154 Ų5436%0.35729%0.292SS..  trans-85.5167.8-178.178.30000112.1T152 Q156 D157 L158T152-S154 PolarHBondContact O-N 2.67Å; S154-Q156 PolarHBondContact O-N 3.46Å; S154-Q156 PolarHBondContact OG-N 3.02Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.3Å; S154-D157 PolarHBondContact N-OD2 2.67Å; S154-D157 PolarHBondContact O-N 2.82Å; S154-D157 PolarHBondContact OG-N 3.32Å; S154-D157 PolarHBondContact OG-OD2 3.03Å; S154-L158 PolarHBondContact O-N 2.83Å; S154-L158 VanDerWaalsContact O-N 3.12Å
155Q89.2Confident90.6Very high89 Ų8956.4 Ų56.442%0.41630%0.303SS..Hα-helixtrans-62.2-33.8174.4-178.6175-17.400112.3L158 E159 S171 V173Q155-L158 WeakPolarHBondContact O-CB 3.32Å; Q155-L158 PolarHBondContact O-N 3.41Å; Q155-E159 PolarHBondContact O-N 2.79Å; Q155-S171 PolarHBondContact NE2-O 3.14Å; Q155-S171 PolarHBondContact NE2-OG 3.43Å; Q155-V173 HydrophobicContact CB-CG2 4.02Å
156Q90.6Very high90.4Very high106 Ų10653.4 Ų53.450%0.49530%0.297SS..Hα-helixtrans-67.7-47.3178.2-173.962.749.300110.9S154 L158 E159 D160S154-Q156 PolarHBondContact O-N 3.46Å; S154-Q156 PolarHBondContact OG-N 3.02Å; Q156-L158 PolarHBondContact O-N 2.76Å; Q156-E159 WeakPolarHBondContact O-CA 3.38Å; Q156-E159 WeakPolarHBondContact O-CB 3.26Å; Q156-E159 PolarHBondContact O-N 2.85Å; Q156-D160 PolarHBondContact NE2-OD1 2.8Å; Q156-D160 VanDerWaalsContact O-CG 3.29Å; Q156-D160 PolarHBondContact O-N 2.83Å
157D90Very high90.3Very high80 Ų8060.9 Ų60.943%0.42833%0.325SS..Hα-helixtrans-59.5-36177.6-53.6-49.7000111.4L153 S154 M161L153-D157 HydrophobicContact CD2-CB 4.4Å; L153-D157 HydrophobicContact CG-CB 4.09Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.3Å; S154-D157 PolarHBondContact N-OD2 2.67Å; S154-D157 PolarHBondContact O-N 2.82Å; S154-D157 PolarHBondContact OG-N 3.32Å; S154-D157 PolarHBondContact OG-OD2 3.03Å; D157-M161 WeakPolarHBondContact O-CB 3.15Å; D157-M161 PolarHBondContact O-N 3.34Å; D157-M161 VanDerWaalsContact O-N 3.14Å
158L90.8Very high90.2Very high0 Ų061 Ų610%032%0.323CS..Hα-helixtrans-64.9-45.3174-173.974.1000111.3L149 L153 S154 Q155 Q156 M161 F162 V173 A186 I188L149-L158 HydrophobicContact CD1-CD1 3.9Å; L149-L158 HydrophobicContact CD2-CD1 4.02Å; L153-L158 HydrophobicContact CD2-CB 3.79Å; L153-L158 HydrophobicContact CD2-CD1 4.18Å; S154-L158 PolarHBondContact O-N 2.83Å; S154-L158 VanDerWaalsContact O-N 3.12Å; Q155-L158 WeakPolarHBondContact O-CB 3.32Å; Q155-L158 PolarHBondContact O-N 3.41Å; Q156-L158 PolarHBondContact O-N 2.76Å; L158-M161 HydrophobicContact CD1-CE 4.37Å; L158-M161 PolarHBondContact O-N 2.8Å; L158-F162 HydrophobicContact CD1-CD2 3.76Å; L158-F162 HydrophobicContact CD1-CE2 3.57Å; L158-F162 HydrophobicContact CG-CD2 4.21Å; L158-F162 HydrophobicContact CG-CE2 4.47Å; L158-F162 WeakPolarHBondContact O-CB 3.49Å; L158-F162 WeakPolarHBondContact O-CD2 3.36Å; L158-F162 PolarHBondContact O-N 3.39Å; L158-F162 VanDerWaalsContact O-N 3.12Å; L158-V173 HydrophobicContact CD2-CG2 4.19Å; L158-A186 HydrophobicContact CD1-CB 4.43Å; L158-A186 HydrophobicContact CD2-CB 3.37Å; L158-I188 HydrophobicContact CD1-CD1 4.12Å; L158-I188 HydrophobicContact CD2-CD1 3.9Å; L158-I188 HydrophobicContact CD2-CG1 3.94Å; L158-I188 HydrophobicContact CG-CD1 3.76Å; L158-I188 HydrophobicContact CG-CG1 4.36Å
159E92.4Very high90.2Very high55 Ų5562.2 Ų62.226%0.25732%0.322SS..Hα-helixtrans-61.3-47.4177.4-107.6168.8177.400111.4Q155 Q156 M161 F162 S163 I168 S171Q155-E159 PolarHBondContact O-N 2.79Å; Q156-E159 WeakPolarHBondContact O-CA 3.38Å; Q156-E159 WeakPolarHBondContact O-CB 3.26Å; Q156-E159 PolarHBondContact O-N 2.85Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.8Å; E159-F162 PolarHBondContact O-N 3.01Å; E159-S163 WeakPolarHBondContact O-CA 3.36Å; E159-S163 WeakPolarHBondContact O-CB 3.4Å; E159-S163 PolarHBondContact O-N 2.87Å; E159-S163 PolarHBondContact O-OG 3.19Å; E159-I168 HydrophobicContact CB-CD1 4.4Å; E159-I168 HydrophobicContact CG-CD1 3.79Å; E159-I168 HydrophobicContact CG-CG2 4.3Å; E159-S171 WeakPolarHBondContact OE1-CB 3.16Å; E159-S171 PolarHBondContact OE1-OG 3.04Å
160D91.3Very high90Very high91 Ų9163.9 Ų63.949%0.48733%0.331SS..Hα-helixtrans-62-36.7-179.2-62.6-21.4000112Q156 S163Q156-D160 PolarHBondContact NE2-OD1 2.8Å; Q156-D160 VanDerWaalsContact O-CG 3.29Å; Q156-D160 PolarHBondContact O-N 2.83Å; D160-S163 PolarHBondContact O-OG 3.16Å
161M89.9Confident90.1Very high35 Ų3563.2 Ų63.217%0.17233%0.327CS..Hα-helixtrans-73.1-33.3178.1-175.1171.765.600113.2D157 L158 E159 S164 L203 P208 I215D157-M161 WeakPolarHBondContact O-CB 3.15Å; D157-M161 PolarHBondContact O-N 3.34Å; D157-M161 VanDerWaalsContact O-N 3.14Å; L158-M161 HydrophobicContact CD1-CE 4.37Å; L158-M161 PolarHBondContact O-N 2.8Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.8Å; M161-S164 PolarHBondContact O-OG 2.88Å; M161-L203 HydrophobicContact CG-CD2 4.44Å; M161-P208 HydrophobicContact CE-CB 4.48Å; M161-P208 HydrophobicContact SD-CB 4.31Å; M161-I215 HydrophobicContact CE-CD1 3.98Å
162F92.9Very high90.3Very high0 Ų061.5 Ų61.50%032%0.32CS..Hα-helixtrans-97.3-17.7-176-83.6-97.2000112.9L144 I146 L158 E159 S164 F165 I168 I188 Y190 A199 L203 I215 V217L144-F162 HydrophobicContact CD1-CE1 4.48Å; I146-F162 HydrophobicContact CD1-CZ 4.44Å; I146-F162 HydrophobicContact CG1-CE1 4.12Å; I146-F162 HydrophobicContact CG1-CE2 4.28Å; I146-F162 HydrophobicContact CG1-CZ 3.63Å; I146-F162 HydrophobicContact CG2-CZ 4.22Å; L158-F162 HydrophobicContact CD1-CD2 3.76Å; L158-F162 HydrophobicContact CD1-CE2 3.57Å; L158-F162 HydrophobicContact CG-CD2 4.21Å; L158-F162 HydrophobicContact CG-CE2 4.47Å; L158-F162 WeakPolarHBondContact O-CB 3.49Å; L158-F162 WeakPolarHBondContact O-CD2 3.36Å; L158-F162 PolarHBondContact O-N 3.39Å; L158-F162 VanDerWaalsContact O-N 3.12Å; E159-F162 PolarHBondContact O-N 3.01Å; F162-S164 PolarHBondContact O-N 2.84Å; F162-F165 PolarHBondContact O-N 3.39Å; F162-I168 HydrophobicContact CB-CD1 3.85Å; F162-I188 HydrophobicContact CB-CD1 3.56Å; F162-I188 HydrophobicContact CD1-CD1 3.53Å; F162-I188 HydrophobicContact CD2-CD1 3.41Å; F162-I188 VanDerWaalsContact CD2-CD1 3.41Å; F162-I188 HydrophobicContact CE1-CD1 4.02Å; F162-I188 HydrophobicContact CE2-CD1 3.88Å; F162-I188 HydrophobicContact CG-CD1 3.21Å; F162-I188 HydrophobicContact CZ-CD1 4.19Å; F162-Y190 WeakPolarHBondContact CB-OH 3.32Å; F162-Y190 HydrophobicContact CD1-CE2 4.4Å; F162-Y190 WeakPolarHBondContact CD1-OH 3.02Å; F162-Y190 PolarHBondContact O-OH 3.07Å; F162-A199 HydrophobicContact CD1-CB 4.27Å; F162-A199 HydrophobicContact CE1-CB 4.5Å; F162-L203 HydrophobicContact CD1-CD1 3.46Å; F162-L203 VanDerWaalsContact CD1-CD1 3.46Å; F162-L203 HydrophobicContact CD2-CD1 4.02Å; F162-L203 HydrophobicContact CE1-CB 4.45Å; F162-L203 HydrophobicContact CE1-CD1 3.38Å; F162-L203 HydrophobicContact CE2-CD1 3.97Å; F162-L203 HydrophobicContact CG-CD1 3.78Å; F162-L203 HydrophobicContact CZ-CB 4.45Å; F162-L203 HydrophobicContact CZ-CD1 3.64Å; F162-I215 HydrophobicContact CE2-CD1 4.42Å; F162-I215 HydrophobicContact CZ-CD1 4.25Å; F162-V217 HydrophobicContact CE1-CG1 4.02Å; F162-V217 HydrophobicContact CE1-CG2 4.22Å; F162-V217 HydrophobicContact CZ-CG1 4.39Å; F162-V217 HydrophobicContact CZ-CG2 3.87Å
163S93.7Very high90.5Very high66 Ų6657 Ų5746%0.46229%0.293SS..G310 helixtrans-65.8-20.9-178.359.10000113.1E159 D160 F165 G166E159-S163 WeakPolarHBondContact O-CA 3.36Å; E159-S163 WeakPolarHBondContact O-CB 3.4Å; E159-S163 PolarHBondContact O-N 2.87Å; E159-S163 PolarHBondContact O-OG 3.19Å; D160-S163 PolarHBondContact O-OG 3.16Å; S163-F165 PolarHBondContact O-N 3.3Å; S163-G166 PolarHBondContact O-N 2.95Å
164S92.6Very high90.7Very high90 Ų9058.3 Ų58.363%0.62930%0.299SS*.G310 helixtrans-66.4-21.117757.80000114M161 F162M161-S164 PolarHBondContact O-OG 2.88Å; F162-S164 PolarHBondContact O-N 2.84Å
165F92Very high90.7Very high52 Ų5259.7 Ų59.723%0.22831%0.305CS..G310 helixtrans-96.6-10.7-176.4-60.2-80.8000113.6F162 S163 Y190 E195 A199 H202 L203F162-F165 PolarHBondContact O-N 3.39Å; S163-F165 PolarHBondContact O-N 3.3Å; F165-Y190 HydrophobicContact CB-CE1 4.46Å; F165-E195 WeakPolarHBondContact O-CB 3.44Å; F165-A199 HydrophobicContact CB-CB 3.85Å; F165-A199 HydrophobicContact CD2-CB 4.28Å; F165-A199 HydrophobicContact CG-CB 3.98Å; F165-H202 HydrophobicContact CD1-CB 4.46Å; F165-H202 HydrophobicContact CE1-CB 3.47Å; F165-H202 VanDerWaalsContact CE1-CB 3.47Å; F165-H202 AromaticContact CE1-CG 3.8Å; F165-H202 AromaticContact CE1-ND1 3.93Å; F165-H202 HydrophobicContact CZ-CB 3.8Å; F165-L203 HydrophobicContact CD2-CD1 3.76Å; F165-L203 HydrophobicContact CD2-CG 4.25Å; F165-L203 HydrophobicContact CE2-CD1 3.38Å; F165-L203 HydrophobicContact CE2-CD2 3.8Å; F165-L203 HydrophobicContact CE2-CG 3.48Å; F165-L203 VanDerWaalsContact CE2-CG 3.48Å; F165-L203 HydrophobicContact CZ-CD1 4.19Å; F165-L203 HydrophobicContact CZ-CD2 4Å; F165-L203 HydrophobicContact CZ-CG 3.77Å
166G90.6Very high90.6Very high18 Ų1858.1 Ų58.119%0.18630%0.3CS..SBendtrans159.9178.7179.300000113.1S163 I168 Y190S163-G166 PolarHBondContact O-N 2.95Å; G166-I168 PolarHBondContact O-N 3.06Å; G166-Y190 WeakPolarHBondContact O-CE1 3.47Å
167R90.3Very high90.2Very high158 Ų15862.3 Ų62.360%0.59632%0.319SS*.  trans-77.1117.2-177.6-174.9-176.8-170.7-160.57.1110.5Y190 D191R167-Y190 CarbonylContact O-C 3.49Å; R167-Y190 WeakPolarHBondContact O-CA 3.49Å; R167-D191 HydrophobicContact CB-CB 3.93Å; R167-D191 HydrophobicContact CG-CB 4.49Å; R167-D191 PolarHBondContact O-N 2.95Å
168I91.8Very high90Very high29 Ų2963.1 Ų63.115%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-79124.6176.1-62.4170.9000109.7E159 F162 G166 I188 Y190E159-I168 HydrophobicContact CB-CD1 4.4Å; E159-I168 HydrophobicContact CG-CD1 3.79Å; E159-I168 HydrophobicContact CG-CG2 4.3Å; F162-I168 HydrophobicContact CB-CD1 3.85Å; G166-I168 PolarHBondContact O-N 3.06Å; I168-I188 HydrophobicContact CD1-CG2 4.35Å; I168-I188 HydrophobicContact CG1-CG2 4.06Å; I168-I188 HydrophobicContact CG2-CG2 4.1Å; I168-Y190 HydrophobicContact CG1-CD1 4.35Å; I168-Y190 HydrophobicContact CG1-CE1 3.93Å
169I87.9Confident89.7Confident56 Ų5666.3 Ų66.329%0.28736%0.36SS..EExtended strand (participates in β ladder)trans-90.6-36.9175.7-61.3-57.8000111.4R189 D191I169-R189 HydrophobicContact CB-CG 4.24Å; I169-R189 PolarHBondContact N-O 2.85Å; I169-D191 HydrophobicContact CD1-CB 4.14Å; I169-D191 WeakPolarHBondContact CD1-OD1 3.47Å; I169-D191 HydrophobicContact CG1-CB 4.16Å
170N87.8Confident89.3Confident44 Ų4466.2 Ų66.224%0.23537%0.374CS..EExtended strand (participates in β ladder)trans-153.7130.2175.3-175.7-122.8000110.7I188 R189N170-I188 CarbonylContact O-C 3.48Å; N170-I188 WeakPolarHBondContact O-CA 3.35Å; N170-R189 HydrophobicContact CB-CB 4.27Å; N170-R189 PolarHBondContact N-O 3.23Å; N170-R189 PolarHBondContact O-N 3.12Å
171S91.3Very high89Confident4 Ų466.9 Ų66.93%0.02838%0.377CS..EExtended strand (participates in β ladder)trans-111.3146.1165.958.20000108.9Q155 E159 F187Q155-S171 PolarHBondContact NE2-O 3.14Å; Q155-S171 PolarHBondContact NE2-OG 3.43Å; E159-S171 WeakPolarHBondContact OE1-CB 3.16Å; E159-S171 PolarHBondContact OE1-OG 3.04Å; S171-F187 CarbonylContact C-O 3.56Å; S171-F187 WeakPolarHBondContact CA-O 3.49Å
172R89.7Confident88.9Confident133 Ų13365.8 Ų65.850%0.50237%0.372SS..EExtended strand (participates in β ladder)trans-153.1121.1173.2-178.7177.3175.5178.8-0.6111A186 F187R172-A186 CarbonylContact O-C 3.55Å; R172-A186 WeakPolarHBondContact O-CA 3.49Å; R172-A186 WeakPolarHBondContact O-CB 3.49Å; R172-F187 PolarHBondContact N-O 2.88Å; R172-F187 PolarHBondContact O-N 2.98Å
173V91.1Very high88.7Confident24 Ų2473 Ų7315%0.14540%0.399CS..EExtended strand (participates in β ladder)trans-86132.8167.8-178.30000109.3Q155 L158 A186Q155-V173 HydrophobicContact CB-CG2 4.02Å; L158-V173 HydrophobicContact CD2-CG2 4.19Å; V173-A186 HydrophobicContact CG2-CB 4.23Å
174L89.8Confident88.6Confident43 Ų4370.1 Ų70.123%0.22538%0.38CS..EExtended strand (participates in β ladder)trans-81.1119.6172.5-74.7-174.6000109.8R183 V185 F187L174-R183 HydrophobicContact CB-CB 4.41Å; L174-R183 WeakPolarHBondContact O-CB 3.35Å; L174-R183 PolarHBondContact O-N 3.2Å; L174-V185 HydrophobicContact CB-CB 4.4Å; L174-V185 WeakPolarHBondContact CB-O 3.37Å; L174-V185 HydrophobicContact CD1-CB 4.26Å; L174-V185 HydrophobicContact CD1-CG1 3.85Å; L174-V185 HydrophobicContact CG-CG1 4.45Å; L174-V185 PolarHBondContact N-O 2.76Å; L174-F187 HydrophobicContact CD1-CD2 4.5Å; L174-F187 HydrophobicContact CD1-CE2 3.75Å; L174-F187 HydrophobicContact CD2-CE2 4.39Å; L174-F187 HydrophobicContact CG-CD2 4.28Å; L174-F187 HydrophobicContact CG-CE2 4Å
175V89Confident88.5Confident80 Ų8066.6 Ų66.649%0.48536%0.355SS..EExtended strand (participates in β ladder)trans-102.1148.1170-62.20000110.2L181V175-L181 CarbonylContact C-O 3.48Å; V175-L181 WeakPolarHBondContact CA-O 3.49Å
176D87.4Confident88.6Confident56 Ų5664.1 Ų64.130%0.29934%0.344SS..PPolyproline II helixtrans-69.5128.3169.4177.256.7000109.4A178 S179 G180 L181 R183D176-A178 VanDerWaalsContact C-N 3.27Å; D176-A178 PolarHBondContact O-N 3.33Å; D176-A178 PolarHBondContact OD2-N 3.12Å; D176-S179 WeakPolarHBondContact CB-OG 3.49Å; D176-S179 WeakPolarHBondContact OD2-CB 3.41Å; D176-S179 PolarHBondContact OD2-N 3.46Å; D176-S179 PolarHBondContact OD2-OG 2.88Å; D176-G180 VanDerWaalsContact O-CA 3.22Å; D176-G180 WeakPolarHBondContact O-CA 3.22Å; D176-G180 PolarHBondContact O-N 3.19Å; D176-L181 PolarHBondContact N-O 2.77Å; D176-R183 HydrophobicContact CB-CG 4.13Å
177Q82.1Confident88.8Confident194 Ų19466.8 Ų66.891%0.90735%0.351SS*.THydrogen-bonded Turntrans-71-24.4-173.4-71.1-175.1-27.400112.8
178A85.1Confident89Confident98 Ų9859.3 Ų59.381%0.8132%0.323SS*.THydrogen-bonded Turntrans-83.5-45.6-179.800000112D176D176-A178 VanDerWaalsContact C-N 3.27Å; D176-A178 PolarHBondContact O-N 3.33Å; D176-A178 PolarHBondContact OD2-N 3.12Å
179S85.7Confident88.9Confident67 Ų6762.1 Ų62.147%0.46933%0.332SS..THydrogen-bonded Turntrans-96.9-14.8-175.761.10000114.6D176 L181D176-S179 WeakPolarHBondContact CB-OG 3.49Å; D176-S179 WeakPolarHBondContact OD2-CB 3.41Å; D176-S179 PolarHBondContact OD2-N 3.46Å; D176-S179 PolarHBondContact OD2-OG 2.88Å; S179-L181 PolarHBondContact O-N 3.34Å; S179-L181 PolarHBondContact OG-N 2.97Å
180G83Confident89.2Confident53 Ų5359.5 Ų59.555%0.54632%0.318SS..  trans700.1-172.400000114.1D176D176-G180 VanDerWaalsContact O-CA 3.22Å; D176-G180 WeakPolarHBondContact O-CA 3.22Å; D176-G180 PolarHBondContact O-N 3.19Å
181L85.2Confident89.1Confident105 Ų10558.3 Ų58.355%0.5531%0.312SS..  trans-80.5145.6-176.5-65.7173.8000111.6V175 D176 S179 R183V175-L181 CarbonylContact C-O 3.48Å; V175-L181 WeakPolarHBondContact CA-O 3.49Å; D176-L181 PolarHBondContact N-O 2.77Å; S179-L181 PolarHBondContact O-N 3.34Å; S179-L181 PolarHBondContact OG-N 2.97Å; L181-R183 PolarHBondContact O-N 2.75Å
182S88.3Confident89Confident12 Ų1262.7 Ų62.78%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-58.5134.7173.1177.30000110.8R151 G184R151-S182 PolarHBondContact NH1-O 3.24Å; R151-S182 WeakPolarHBondContact O-CB 3.21Å; S182-G184 PolarHBondContact O-N 2.79Å; S182-G184 PolarHBondContact OG-N 2.86Å
183R89.6Confident89Confident150 Ų15060.3 Ų60.357%0.56632%0.321SS*.EExtended strand (participates in β ladder)trans-810.7174.6-66-179.860.8158.20.8112.6L174 D176 L181 V185L174-R183 HydrophobicContact CB-CB 4.41Å; L174-R183 WeakPolarHBondContact O-CB 3.35Å; L174-R183 PolarHBondContact O-N 3.2Å; D176-R183 HydrophobicContact CB-CG 4.13Å; L181-R183 PolarHBondContact O-N 2.75Å; R183-V185 PolarHBondContact O-N 2.8Å
184G89.6Confident89Confident6 Ų662.2 Ų62.26%0.06234%0.335CS..EExtended strand (participates in β ladder)trans67.524.5-173.700000112.8S147 G148 L149 S182S147-G184 CarbonylContact C-O 3.56Å; S147-G184 WeakPolarHBondContact CA-O 3.49Å; G148-G184 PolarHBondContact N-O 3.06Å; L149-G184 PolarHBondContact N-O 2.9Å; L149-G184 WeakPolarHBondContact O-CA 3.43Å; S182-G184 PolarHBondContact O-N 2.79Å; S182-G184 PolarHBondContact OG-N 2.86Å
185V92.4Very high89.2Confident17 Ų1761.7 Ų61.710%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-131137.5-179.2177.20000109.1Y145 I146 L174 R183Y145-V185 HydrophobicContact CD2-CG1 4.01Å; Y145-V185 HydrophobicContact CE2-CG1 3.24Å; I146-V185 CarbonylContact O-C 3.49Å; I146-V185 WeakPolarHBondContact O-CA 3.26Å; I146-V185 WeakPolarHBondContact O-CG1 3.35Å; L174-V185 HydrophobicContact CB-CB 4.4Å; L174-V185 WeakPolarHBondContact CB-O 3.37Å; L174-V185 HydrophobicContact CD1-CB 4.26Å; L174-V185 HydrophobicContact CD1-CG1 3.85Å; L174-V185 HydrophobicContact CG-CG1 4.45Å; L174-V185 PolarHBondContact N-O 2.76Å; R183-V185 PolarHBondContact O-N 2.8Å
186A93.6Very high89.4Confident0 Ų057.9 Ų57.90%031%0.309CS..EExtended strand (participates in β ladder)trans-139.6162.5175.300000112.2I146 L149 L158 R172 V173I146-A186 HydrophobicContact CB-CB 4.48Å; I146-A186 WeakPolarHBondContact CD1-O 3.44Å; I146-A186 PolarHBondContact N-O 3.44Å; I146-A186 PolarHBondContact O-N 2.8Å; L149-A186 HydrophobicContact CD1-CB 3.46Å; L149-A186 VanDerWaalsContact CD1-CB 3.46Å; L158-A186 HydrophobicContact CD1-CB 4.43Å; L158-A186 HydrophobicContact CD2-CB 3.37Å; R172-A186 CarbonylContact O-C 3.55Å; R172-A186 WeakPolarHBondContact O-CA 3.49Å; R172-A186 WeakPolarHBondContact O-CB 3.49Å; V173-A186 HydrophobicContact CG2-CB 4.23Å
187F94.1Very high89.7Confident73 Ų7358.4 Ų58.432%0.3231%0.31SS..EExtended strand (participates in β ladder)trans-120.9136.6171-68.2-89.3000109.6L144 Y145 S171 R172 L174 A220L144-F187 VanDerWaalsContact O-CA 3.26Å; L144-F187 WeakPolarHBondContact O-CA 3.13Å; Y145-F187 HydrophobicContact CD2-CD1 4.37Å; Y145-F187 AromaticContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE2 4.34Å; Y145-F187 AromaticContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CE2-CZ 4.12Å; Y145-F187 HydrophobicContact CG-CE1 4.43Å; S171-F187 CarbonylContact C-O 3.56Å; S171-F187 WeakPolarHBondContact CA-O 3.49Å; R172-F187 PolarHBondContact N-O 2.88Å; R172-F187 PolarHBondContact O-N 2.98Å; L174-F187 HydrophobicContact CD1-CD2 4.5Å; L174-F187 HydrophobicContact CD1-CE2 3.75Å; L174-F187 HydrophobicContact CD2-CE2 4.39Å; L174-F187 HydrophobicContact CG-CD2 4.28Å; L174-F187 HydrophobicContact CG-CE2 4Å; F187-A220 HydrophobicContact CD1-CB 3.97Å; F187-A220 HydrophobicContact CE1-CB 3.97Å
188I93.9Very high90.3Very high1 Ų152.3 Ų52.31%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-128.2134.8173.2-64.7174.8000108N143 L144 I146 L158 F162 I168 N170 Y190N143-I188 CarbonylContact C-O 3.52Å; L144-I188 PolarHBondContact N-O 3.2Å; L144-I188 PolarHBondContact O-N 3.41Å; L144-I188 VanDerWaalsContact O-N 3.07Å; I146-I188 HydrophobicContact CD1-CB 4.01Å; I146-I188 HydrophobicContact CD1-CD1 3.89Å; I146-I188 HydrophobicContact CD1-CG1 3.75Å; L158-I188 HydrophobicContact CD1-CD1 4.12Å; L158-I188 HydrophobicContact CD2-CD1 3.9Å; L158-I188 HydrophobicContact CD2-CG1 3.94Å; L158-I188 HydrophobicContact CG-CD1 3.76Å; L158-I188 HydrophobicContact CG-CG1 4.36Å; F162-I188 HydrophobicContact CB-CD1 3.56Å; F162-I188 HydrophobicContact CD1-CD1 3.53Å; F162-I188 HydrophobicContact CD2-CD1 3.41Å; F162-I188 VanDerWaalsContact CD2-CD1 3.41Å; F162-I188 HydrophobicContact CE1-CD1 4.02Å; F162-I188 HydrophobicContact CE2-CD1 3.88Å; F162-I188 HydrophobicContact CG-CD1 3.21Å; F162-I188 HydrophobicContact CZ-CD1 4.19Å; I168-I188 HydrophobicContact CD1-CG2 4.35Å; I168-I188 HydrophobicContact CG1-CG2 4.06Å; I168-I188 HydrophobicContact CG2-CG2 4.1Å; N170-I188 CarbonylContact O-C 3.48Å; N170-I188 WeakPolarHBondContact O-CA 3.35Å; I188-Y190 HydrophobicContact CG2-CD2 4.12Å; I188-Y190 HydrophobicContact CG2-CE2 3.88Å
189R91.4Very high90.7Very high89 Ų8947.7 Ų47.734%0.33625%0.245SC..EExtended strand (participates in β ladder)trans-113.4121.2171.4179.3172.2-172.1-176.40.7108.7A142 N143 I169 N170A142-R189 WeakPolarHBondContact O-CA 3.07Å; N143-R189 WeakPolarHBondContact OD1-CB 3.23Å; N143-R189 WeakPolarHBondContact OD1-CD 3.5Å; N143-R189 WeakPolarHBondContact OD1-CG 3.41Å; I169-R189 HydrophobicContact CB-CG 4.24Å; I169-R189 PolarHBondContact N-O 2.85Å; N170-R189 HydrophobicContact CB-CB 4.27Å; N170-R189 PolarHBondContact N-O 3.23Å; N170-R189 PolarHBondContact O-N 3.12Å
190Y92.4Very high91.1Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-85.3166172.3-78.4-78.6000112.5A142 L144 F162 F165 G166 R167 I168 I188 K192 E195 A196 A199A142-Y190 PolarHBondContact O-N 2.85Å; L144-Y190 HydrophobicContact CD1-CD2 3.99Å; L144-Y190 HydrophobicContact CD1-CE2 3.61Å; L144-Y190 HydrophobicContact CG-CD2 4.38Å; L144-Y190 HydrophobicContact CG-CE2 4.44Å; F162-Y190 WeakPolarHBondContact CB-OH 3.32Å; F162-Y190 HydrophobicContact CD1-CE2 4.4Å; F162-Y190 WeakPolarHBondContact CD1-OH 3.02Å; F162-Y190 PolarHBondContact O-OH 3.07Å; F165-Y190 HydrophobicContact CB-CE1 4.46Å; G166-Y190 WeakPolarHBondContact O-CE1 3.47Å; R167-Y190 CarbonylContact O-C 3.49Å; R167-Y190 WeakPolarHBondContact O-CA 3.49Å; I168-Y190 HydrophobicContact CG1-CD1 4.35Å; I168-Y190 HydrophobicContact CG1-CE1 3.93Å; I188-Y190 HydrophobicContact CG2-CD2 4.12Å; I188-Y190 HydrophobicContact CG2-CE2 3.88Å; Y190-K192 WeakPolarHBondContact CB-O 3.37Å; Y190-E195 HydrophobicContact CD1-CB 3.88Å; Y190-E195 HydrophobicContact CG-CB 4.04Å; Y190-A196 HydrophobicContact CD2-CB 3.75Å; Y190-A196 HydrophobicContact CG-CB 4.33Å; Y190-A199 HydrophobicContact CE2-CB 3.69Å; Y190-A199 WeakPolarHBondContact OH-CB 3.37Å
191D87.4Confident91.6Very high19 Ų1949.9 Ų49.910%0.10223%0.233CC..SBendtrans-68-41.5174.2-167.772.1000110.4R133 I139 R167 I169 E195R133-D191 VanDerWaalsContact CZ-O 3.31Å; R133-D191 IonicContact CZ-OD1 3.06Å; R133-D191 IonicContact CZ-OD2 2.71Å; R133-D191 IonicContact NE-OD1 3.87Å; R133-D191 PolarHBondContact NE-OD1 2.89Å; R133-D191 PolarHBondContact NH1-O 3.32Å; R133-D191 IonicContact NH1-OD1 2.67Å; R133-D191 PolarHBondContact NH1-OD1 3Å; R133-D191 PolarHBondContact NH2-O 3.28Å; R133-D191 IonicContact NH2-OD1 3.58Å; R133-D191 PolarHBondContact NH2-OD1 3.2Å; R133-D191 IonicContact NH2-OD2 2.86Å; R133-D191 PolarHBondContact NH2-OD2 3.02Å; I139-D191 WeakPolarHBondContact CG2-O 3.12Å; R167-D191 HydrophobicContact CB-CB 3.93Å; R167-D191 HydrophobicContact CG-CB 4.49Å; R167-D191 PolarHBondContact O-N 2.95Å; I169-D191 HydrophobicContact CD1-CB 4.14Å; I169-D191 WeakPolarHBondContact CD1-OD1 3.47Å; I169-D191 HydrophobicContact CG1-CB 4.16Å; D191-E195 WeakPolarHBondContact CB-OE2 3.29Å; D191-E195 PolarHBondContact N-OE2 2.71Å
192K89.3Confident91.9Very high97 Ų9750.6 Ų50.642%0.42223%0.234SC..SBendtrans-126.2152-179.5-59.2174.5-174.5172.10112Y190 S194 E195 A196Y190-K192 WeakPolarHBondContact CB-O 3.37Å; K192-S194 VanDerWaalsContact C-N 3.32Å; K192-S194 PolarHBondContact O-N 2.95Å; K192-E195 HydrophobicContact CB-CG 4.06Å; K192-E195 PolarHBondContact N-OE2 3.46Å; K192-E195 PolarHBondContact O-N 2.78Å; K192-A196 PolarHBondContact O-N 2.94Å
193R89.4Confident92Very high83 Ų8350.6 Ų50.631%0.31323%0.232SC..Hα-helixtrans-62.5-38.1174.3-176.8-178.2170.9101.712112.3T138 D141 E195 A196 E197T138-R193 WeakPolarHBondContact O-CB 3.26Å; T138-R193 PolarHBondContact O-N 2.83Å; D141-R193 IonicContact OD2-NH1 2.89Å; R193-E195 VanDerWaalsContact C-N 3.32Å; R193-E195 PolarHBondContact O-N 3.45Å; R193-A196 WeakPolarHBondContact O-CB 3.31Å; R193-A196 PolarHBondContact O-N 3.28Å; R193-A196 VanDerWaalsContact O-N 3.13Å; R193-E197 HydrophobicContact CG-CG 4.38Å; R193-E197 IonicContact CZ-OE1 3.44Å; R193-E197 IonicContact NE-OE1 3.61Å; R193-E197 PolarHBondContact NE-OE1 3.48Å; R193-E197 IonicContact NH2-OE1 2.9Å; R193-E197 PolarHBondContact NH2-OE1 3.01Å; R193-E197 WeakPolarHBondContact O-CG 3.15Å; R193-E197 PolarHBondContact O-N 2.84Å
194S91Very high92.1Very high63 Ų6347.1 Ų47.144%0.44123%0.225SC..Hα-helixtrans-59.4-4217954.50000112.4K192 A196 E197 D198K192-S194 VanDerWaalsContact C-N 3.32Å; K192-S194 PolarHBondContact O-N 2.95Å; S194-A196 VanDerWaalsContact C-N 3.31Å; S194-A196 PolarHBondContact O-N 2.9Å; S194-E197 WeakPolarHBondContact O-CB 3.47Å; S194-E197 PolarHBondContact O-N 3.44Å; S194-D198 PolarHBondContact O-N 3.32Å
195E93.5Very high92.1Very high32 Ų3249.1 Ų49.115%0.1525%0.246CC..Hα-helixtrans-61.7-41.4175.5-62.4168.3166.400111.1F165 Y190 D191 K192 R193 D198 A199F165-E195 WeakPolarHBondContact O-CB 3.44Å; Y190-E195 HydrophobicContact CD1-CB 3.88Å; Y190-E195 HydrophobicContact CG-CB 4.04Å; D191-E195 WeakPolarHBondContact CB-OE2 3.29Å; D191-E195 PolarHBondContact N-OE2 2.71Å; K192-E195 HydrophobicContact CB-CG 4.06Å; K192-E195 PolarHBondContact N-OE2 3.46Å; K192-E195 PolarHBondContact O-N 2.78Å; R193-E195 VanDerWaalsContact C-N 3.32Å; R193-E195 PolarHBondContact O-N 3.45Å; E195-D198 PolarHBondContact O-N 3.01Å; E195-A199 WeakPolarHBondContact O-CB 3.38Å; E195-A199 PolarHBondContact O-N 3.41Å
196A92.7Very high91.9Very high0 Ų052.8 Ų52.80%026%0.261CS..Hα-helixtrans-65.7-39175.400000112.3A142 L144 Y190 K192 R193 S194 V200 F219A142-A196 HydrophobicContact CB-CB 4.45Å; L144-A196 HydrophobicContact CD1-CB 4.31Å; L144-A196 HydrophobicContact CD2-CB 3.92Å; L144-A196 HydrophobicContact CG-CB 4.09Å; Y190-A196 HydrophobicContact CD2-CB 3.75Å; Y190-A196 HydrophobicContact CG-CB 4.33Å; K192-A196 PolarHBondContact O-N 2.94Å; R193-A196 WeakPolarHBondContact O-CB 3.31Å; R193-A196 PolarHBondContact O-N 3.28Å; R193-A196 VanDerWaalsContact O-N 3.13Å; S194-A196 VanDerWaalsContact C-N 3.31Å; S194-A196 PolarHBondContact O-N 2.9Å; A196-V200 VanDerWaalsContact O-CG2 3.25Å; A196-V200 WeakPolarHBondContact O-CG2 3.46Å; A196-V200 PolarHBondContact O-N 2.85Å; A196-F219 HydrophobicContact CB-CE1 3.95Å; A196-F219 HydrophobicContact CB-CZ 4.43Å
197E93.2Very high91.6Very high68 Ų6856.1 Ų56.132%0.31828%0.282SS..Hα-helixtrans-63.5-42.8175.2-72.7176.1173.900111.5R193 S194 V200 K201 F219R193-E197 HydrophobicContact CG-CG 4.38Å; R193-E197 IonicContact CZ-OE1 3.44Å; R193-E197 IonicContact NE-OE1 3.61Å; R193-E197 PolarHBondContact NE-OE1 3.48Å; R193-E197 IonicContact NH2-OE1 2.9Å; R193-E197 PolarHBondContact NH2-OE1 3.01Å; R193-E197 WeakPolarHBondContact O-CG 3.15Å; R193-E197 PolarHBondContact O-N 2.84Å; S194-E197 WeakPolarHBondContact O-CB 3.47Å; S194-E197 PolarHBondContact O-N 3.44Å; E197-V200 PolarHBondContact O-N 3.46Å; E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.33Å; E197-K201 PolarHBondContact O-N 3.21Å; E197-F219 HydrophobicContact CB-CZ 4.39Å; E197-F219 HydrophobicContact CG-CE2 4.14Å; E197-F219 HydrophobicContact CG-CZ 3.51Å
198D94.5Very high91.1Very high66 Ų6652.8 Ų52.835%0.35327%0.267SS..Hα-helixtrans-70-37.8179.3-71.4-16.2000111.9S194 E195 V200 K201 H202S194-D198 PolarHBondContact O-N 3.32Å; E195-D198 PolarHBondContact O-N 3.01Å; D198-V200 PolarHBondContact O-N 2.92Å; D198-K201 PolarHBondContact O-N 3.04Å; D198-K201 IonicContact OD1-NZ 3.03Å; D198-K201 PolarHBondContact OD1-NZ 3.48Å; D198-H202 PolarHBondContact O-N 2.86Å; D198-H202 VanDerWaalsContact O-N 3.15Å; D198-H202 PolarHBondContact O-ND1 2.81Å
199A94.2Very high90.2Very high0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-60.2-44170.700000111.9L144 F162 F165 Y190 E195 K201 H202 L203L144-A199 HydrophobicContact CD1-CB 3.95Å; F162-A199 HydrophobicContact CD1-CB 4.27Å; F162-A199 HydrophobicContact CE1-CB 4.5Å; F165-A199 HydrophobicContact CB-CB 3.85Å; F165-A199 HydrophobicContact CD2-CB 4.28Å; F165-A199 HydrophobicContact CG-CB 3.98Å; Y190-A199 HydrophobicContact CE2-CB 3.69Å; Y190-A199 WeakPolarHBondContact OH-CB 3.37Å; E195-A199 WeakPolarHBondContact O-CB 3.38Å; E195-A199 PolarHBondContact O-N 3.41Å; A199-K201 PolarHBondContact O-N 2.81Å; A199-H202 PolarHBondContact O-N 3.31Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.94Å
200V93.9Very high89.4Confident29 Ų2957.3 Ų57.318%0.17632%0.322CS..Hα-helixtrans-61.8-43.8176.4170.30000111.2L144 A196 E197 D198 H202 N204 V217 F219L144-V200 HydrophobicContact CD1-CG2 4.13Å; L144-V200 HydrophobicContact CD2-CG2 3.48Å; L144-V200 VanDerWaalsContact CD2-CG2 3.48Å; L144-V200 HydrophobicContact CG-CG2 4.45Å; A196-V200 VanDerWaalsContact O-CG2 3.25Å; A196-V200 WeakPolarHBondContact O-CG2 3.46Å; A196-V200 PolarHBondContact O-N 2.85Å; E197-V200 PolarHBondContact O-N 3.46Å; D198-V200 PolarHBondContact O-N 2.92Å; V200-H202 VanDerWaalsContact C-N 3.35Å; V200-H202 PolarHBondContact O-N 3.31Å; V200-N204 WeakPolarHBondContact O-CB 3.33Å; V200-N204 PolarHBondContact O-N 2.62Å; V200-V217 HydrophobicContact CG2-CG1 3.83Å; V200-F219 HydrophobicContact CG2-CE2 4.27Å; V200-F219 HydrophobicContact CG2-CZ 4.47Å
201K93.4Very high88.6Confident137 Ų13758.3 Ų58.360%0.59633%0.332SS*.Hα-helixtrans-62.7-39.5-178.7-72.2169-161.7156.90112.8E197 D198 A199E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.33Å; E197-K201 PolarHBondContact O-N 3.21Å; D198-K201 PolarHBondContact O-N 3.04Å; D198-K201 IonicContact OD1-NZ 3.03Å; D198-K201 PolarHBondContact OD1-NZ 3.48Å; A199-K201 PolarHBondContact O-N 2.81Å
202H91.4Very high88.1Confident121 Ų12163.3 Ų63.356%0.5637%0.369SS*.Hα-helixtrans-95.9-31.9-171.6-64.593.1000113.9F165 D198 A199 V200F165-H202 HydrophobicContact CD1-CB 4.46Å; F165-H202 HydrophobicContact CE1-CB 3.47Å; F165-H202 VanDerWaalsContact CE1-CB 3.47Å; F165-H202 AromaticContact CE1-CG 3.8Å; F165-H202 AromaticContact CE1-ND1 3.93Å; F165-H202 HydrophobicContact CZ-CB 3.8Å; D198-H202 PolarHBondContact O-N 2.86Å; D198-H202 VanDerWaalsContact O-N 3.15Å; D198-H202 PolarHBondContact O-ND1 2.81Å; A199-H202 PolarHBondContact O-N 3.31Å; V200-H202 VanDerWaalsContact C-N 3.35Å; V200-H202 PolarHBondContact O-N 3.31Å
203L91.3Very high87.8Confident11 Ų1165.2 Ų65.26%0.05838%0.38CS..Hα-helixtrans-99.2-17-175.6-66.1177.6000113.8M161 F162 F165 A199 G205 H206 I215 V217M161-L203 HydrophobicContact CG-CD2 4.44Å; F162-L203 HydrophobicContact CD1-CD1 3.46Å; F162-L203 VanDerWaalsContact CD1-CD1 3.46Å; F162-L203 HydrophobicContact CD2-CD1 4.02Å; F162-L203 HydrophobicContact CE1-CB 4.45Å; F162-L203 HydrophobicContact CE1-CD1 3.38Å; F162-L203 HydrophobicContact CE2-CD1 3.97Å; F162-L203 HydrophobicContact CG-CD1 3.78Å; F162-L203 HydrophobicContact CZ-CB 4.45Å; F162-L203 HydrophobicContact CZ-CD1 3.64Å; F165-L203 HydrophobicContact CD2-CD1 3.76Å; F165-L203 HydrophobicContact CD2-CG 4.25Å; F165-L203 HydrophobicContact CE2-CD1 3.38Å; F165-L203 HydrophobicContact CE2-CD2 3.8Å; F165-L203 HydrophobicContact CE2-CG 3.48Å; F165-L203 VanDerWaalsContact CE2-CG 3.48Å; F165-L203 HydrophobicContact CZ-CD1 4.19Å; F165-L203 HydrophobicContact CZ-CD2 4Å; F165-L203 HydrophobicContact CZ-CG 3.77Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.94Å; L203-G205 PolarHBondContact O-N 3.47Å; L203-H206 VanDerWaalsContact O-CB 3.29Å; L203-H206 WeakPolarHBondContact O-CB 3.43Å; L203-H206 PolarHBondContact O-N 3.25Å; L203-H206 VanDerWaalsContact O-N 3.07Å; L203-I215 HydrophobicContact CB-CD1 4.42Å; L203-I215 WeakPolarHBondContact O-CG1 3.32Å; L203-V217 HydrophobicContact CB-CG2 4.04Å
204N91.8Very high87.8Confident77 Ų7764.8 Ų64.841%0.41239%0.387SS..THydrogen-bonded Turntrans-68.1118.6176.1-175.953.4000110.6V200 T216 V217V200-N204 WeakPolarHBondContact O-CB 3.33Å; V200-N204 PolarHBondContact O-N 2.62Å; N204-T216 WeakPolarHBondContact OD1-CA 3.26Å; N204-V217 HydrophobicContact CB-CB 4.13Å; N204-V217 PolarHBondContact OD1-N 2.86Å; N204-V217 PolarHBondContact OD1-O 3.43Å
205G88.7Confident87.9Confident48 Ų4861.8 Ų61.850%0.49537%0.366SS..THydrogen-bonded Turntrans92.9-2.3-174.300000114.3L203 P214 I215L203-G205 PolarHBondContact O-N 3.47Å; G205-P214 VanDerWaalsContact O-CB 3.28Å; G205-P214 WeakPolarHBondContact O-CB 3.48Å; G205-I215 WeakPolarHBondContact CA-O 3.3Å; G205-I215 PolarHBondContact N-O 2.97Å
206H88.8Confident87.9Confident94 Ų9462.3 Ų62.344%0.43537%0.372SS..  trans-74.9146178.8-169.4-90.4000111.4L203 P208 P214 I215L203-H206 VanDerWaalsContact O-CB 3.29Å; L203-H206 WeakPolarHBondContact O-CB 3.43Å; L203-H206 PolarHBondContact O-N 3.25Å; L203-H206 VanDerWaalsContact O-N 3.07Å; H206-P208 WeakPolarHBondContact O-CD 3.44Å; H206-P214 CarbonylContact O-C 3.57Å; H206-P214 WeakPolarHBondContact O-CA 3.5Å; H206-I215 WeakPolarHBondContact O-CG1 3.08Å; H206-I215 PolarHBondContact O-N 3.13Å
207V88.3Confident88Confident71 Ų7162.4 Ų62.443%0.4337%0.372SS..  trans-96114.1176-177.80000108.6G211 P214V207-G211 VanDerWaalsContact CG1-O 3.23Å; V207-G211 WeakPolarHBondContact CG1-O 3.37Å; V207-P214 HydrophobicContact CG2-CB 4.24Å
208P81.9Confident88Confident2 Ų265.1 Ų65.11%0.01338%0.383CS..  trans-71156.7-177.329.2-34.9000111.3P150 L153 M161 H206 G210 G211 I215P150-P208 VanDerWaalsContact CD-CG 3.44Å; P150-P208 HydrophobicContact CG-CB 4.48Å; P150-P208 HydrophobicContact CG-CG 3.78Å; L153-P208 HydrophobicContact CD1-CB 3.96Å; M161-P208 HydrophobicContact CE-CB 4.48Å; M161-P208 HydrophobicContact SD-CB 4.31Å; H206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-G210 PolarHBondContact O-N 3.24Å; P208-G211 PolarHBondContact O-N 3.36Å; P208-I215 HydrophobicContact CB-CG2 4.39Å; P208-I215 HydrophobicContact CG-CG2 3.58Å
209P76.6Confident88Confident109 Ų10965.6 Ų65.671%0.70838%0.382SS*.THydrogen-bonded Turntrans-55126.7175.3-22.332.6000111.2G211P209-G211 VanDerWaalsContact C-N 3.3Å; P209-G211 PolarHBondContact O-N 3.44Å
210G73.9Confident87.6Confident76 Ų7666.5 Ų66.578%0.78439%0.39SS*.THydrogen-bonded Turntrans79.94.5-177.500000115.3P208P208-G210 PolarHBondContact O-N 3.24Å
211G76.2Confident86.8Confident21 Ų2169.5 Ų69.522%0.21642%0.418CS..  trans-99.1150171.500000113.3P150 V207 P208 P209P150-G211 VanDerWaalsContact CG-CA 3.49Å; V207-G211 VanDerWaalsContact CG1-O 3.23Å; V207-G211 WeakPolarHBondContact CG1-O 3.37Å; P208-G211 PolarHBondContact O-N 3.36Å; P209-G211 VanDerWaalsContact C-N 3.3Å; P209-G211 PolarHBondContact O-N 3.44Å
212S76.6Confident85.4Confident125 Ų12565.6 Ų65.687%0.87440%0.403SS*.SBendtrans-102-11.9169.1-53.60000112.6
213E83.1Confident83.7Confident137 Ų13765.5 Ų65.564%0.6441%0.413SS*.SBendtrans-114.8144.3-175.9-63.2-168.8125.700110.7
214P89.8Confident81.8Confident73 Ų7369.9 Ų69.947%0.47444%0.437SS..  trans-69.4137.8174.829-33.9000110.9G205 H206 V207G205-P214 VanDerWaalsContact O-CB 3.28Å; G205-P214 WeakPolarHBondContact O-CB 3.48Å; H206-P214 CarbonylContact O-C 3.57Å; H206-P214 WeakPolarHBondContact O-CA 3.5Å; V207-P214 HydrophobicContact CG2-CB 4.24Å
215I93.1Very high80Confident0 Ų072 Ų720%044%0.444CS..  trans-73.7146.7173.964.7177.1000110I146 S147 G148 L149 M161 F162 L203 G205 H206 P208 V217I146-I215 HydrophobicContact CG2-CB 4.37Å; I146-I215 HydrophobicContact CG2-CD1 4.38Å; S147-I215 CarbonylContact O-C 3.58Å; S147-I215 WeakPolarHBondContact O-CA 3.48Å; G148-I215 WeakPolarHBondContact O-CG2 3.41Å; L149-I215 HydrophobicContact CD2-CG2 3.68Å; L149-I215 HydrophobicContact CG-CG2 4.34Å; M161-I215 HydrophobicContact CE-CD1 3.98Å; F162-I215 HydrophobicContact CE2-CD1 4.42Å; F162-I215 HydrophobicContact CZ-CD1 4.25Å; L203-I215 HydrophobicContact CB-CD1 4.42Å; L203-I215 WeakPolarHBondContact O-CG1 3.32Å; G205-I215 WeakPolarHBondContact CA-O 3.3Å; G205-I215 PolarHBondContact N-O 2.97Å; H206-I215 WeakPolarHBondContact O-CG1 3.08Å; H206-I215 PolarHBondContact O-N 3.13Å; P208-I215 HydrophobicContact CB-CG2 4.39Å; P208-I215 HydrophobicContact CG-CG2 3.58Å; I215-V217 HydrophobicContact CD1-CG2 3.92Å; I215-V217 HydrophobicContact CG1-CG2 4.12Å
216T93.6Very high77.8Confident44 Ų4473.2 Ų73.227%0.2746%0.457SS..EExtended strand (participates in β ladder)trans-104.9124.2169.3-62.30000108.4I146 S147 N204 K218I146-T216 CarbonylContact C-O 3.57Å; I146-T216 VanDerWaalsContact CA-O 3.3Å; I146-T216 WeakPolarHBondContact CA-O 3.44Å; S147-T216 PolarHBondContact N-O 3.39Å; S147-T216 PolarHBondContact O-N 3.43Å; N204-T216 WeakPolarHBondContact OD1-CA 3.26Å; T216-K218 HydrophobicContact CG2-CD 3.79Å; T216-K218 VanDerWaalsContact CG2-CE 3.4Å; T216-K218 HydrophobicContact CG2-CG 3.91Å
217V94.8Very high75.3Confident1 Ų180 Ų801%0.00648%0.479CS..EExtended strand (participates in β ladder)trans-116.9121.9177.2-171.50000108.1L144 I146 F162 V200 L203 N204 I215L144-V217 HydrophobicContact CB-CG1 4.45Å; L144-V217 HydrophobicContact CD1-CG1 3.83Å; I146-V217 HydrophobicContact CG1-CG1 4.29Å; I146-V217 HydrophobicContact CG1-CG2 4.42Å; I146-V217 HydrophobicContact CG2-CG2 4.31Å; F162-V217 HydrophobicContact CE1-CG1 4.02Å; F162-V217 HydrophobicContact CE1-CG2 4.22Å; F162-V217 HydrophobicContact CZ-CG1 4.39Å; F162-V217 HydrophobicContact CZ-CG2 3.87Å; V200-V217 HydrophobicContact CG2-CG1 3.83Å; L203-V217 HydrophobicContact CB-CG2 4.04Å; N204-V217 HydrophobicContact CB-CB 4.13Å; N204-V217 PolarHBondContact OD1-N 2.86Å; N204-V217 PolarHBondContact OD1-O 3.43Å; I215-V217 HydrophobicContact CD1-CG2 3.92Å; I215-V217 HydrophobicContact CG1-CG2 4.12Å
218K93.2Very high72.8Confident125 Ų12582.1 Ų82.154%0.54349%0.488SS..EExtended strand (participates in β ladder)trans-141.3159.7-177.5-69176.8177.5169.90110.5L144 Y145 T216 A220L144-K218 CarbonylContact C-O 3.52Å; L144-K218 VanDerWaalsContact CA-O 3.32Å; L144-K218 WeakPolarHBondContact CA-O 3.42Å; Y145-K218 PolarHBondContact N-O 3.27Å; Y145-K218 PolarHBondContact O-N 3.39Å; T216-K218 HydrophobicContact CG2-CD 3.79Å; T216-K218 VanDerWaalsContact CG2-CE 3.4Å; T216-K218 HydrophobicContact CG2-CG 3.91Å; K218-A220 PolarHBondContact O-N 3.46Å
219F92.8Very high70.7Confident76 Ų7687.9 Ų87.933%0.33353%0.525SS..EExtended strand (participates in β ladder)trans-61.5129.2168.5-73.7-77.6000110.6D141 L144 A196 E197 V200D141-F219 WeakPolarHBondContact O-CD1 3.39Å; D141-F219 VanDerWaalsContact O-CE1 3.26Å; D141-F219 WeakPolarHBondContact O-CE1 3.27Å; L144-F219 HydrophobicContact CD2-CD1 3.9Å; L144-F219 HydrophobicContact CD2-CE1 3.92Å; L144-F219 HydrophobicContact CD2-CG 4.38Å; L144-F219 HydrophobicContact CD2-CZ 4.4Å; A196-F219 HydrophobicContact CB-CE1 3.95Å; A196-F219 HydrophobicContact CB-CZ 4.43Å; E197-F219 HydrophobicContact CB-CZ 4.39Å; E197-F219 HydrophobicContact CG-CE2 4.14Å; E197-F219 HydrophobicContact CG-CZ 3.51Å; V200-F219 HydrophobicContact CG2-CE2 4.27Å; V200-F219 HydrophobicContact CG2-CZ 4.47Å
220A86.9Confident68.8Low19 Ų1991 Ų9116%0.15753%0.532CS..PPolyproline II helixtrans-71.8132.517700000109.7N143 F187 K218 N222N143-A220 HydrophobicContact CB-CB 3.91Å; N143-A220 PolarHBondContact O-N 2.63Å; F187-A220 HydrophobicContact CD1-CB 3.97Å; F187-A220 HydrophobicContact CE1-CB 3.97Å; K218-A220 PolarHBondContact O-N 3.46Å; A220-N222 PolarHBondContact O-N 3Å
221A77.6Confident67.1Low93 Ų9393.2 Ų93.277%0.76953%0.53SS*.PPolyproline II helixtrans-64.8125.1167.900000108.8P223A221-P223 VanDerWaalsContact O-CD 3.29Å; A221-P223 WeakPolarHBondContact O-CD 3.16Å
222N62.3Low65.1Low55 Ų55100.6 Ų100.629%0.29456%0.561SS.*PPolyproline II helixtrans-71.7118.9179.9-13946.2000108.4N143 A220 N224 Q225N143-N222 PolarHBondContact ND2-OD1 2.92Å; A220-N222 PolarHBondContact O-N 3Å; N222-N224 PolarHBondContact O-N 2.93Å; N222-Q225 HydrophobicContact CB-CB 4.25Å; N222-Q225 HydrophobicContact CB-CG 4.06Å; N222-Q225 PolarHBondContact O-N 3.03Å
223P55.6Low63.2Low118 Ų11899.1 Ų99.177%0.76655%0.551SS**THydrogen-bonded Turntrans-60-22.9-176.3-22.231.7000113.8A221A221-P223 VanDerWaalsContact O-CD 3.29Å; A221-P223 WeakPolarHBondContact O-CD 3.16Å
224N51.9Low60.8Low103 Ų103100.7 Ų100.755%0.55156%0.558SS**THydrogen-bonded Turntrans-90.1-7.8179.2-71.8-2.3000113.7N222N222-N224 PolarHBondContact O-N 2.93Å
225Q54.1Low58Low121 Ų121102.5 Ų102.557%0.56557%0.568SS**SBendtrans-87.3118164.7-72.9-176.416.600106.2N222 R227N222-Q225 HydrophobicContact CB-CB 4.25Å; N222-Q225 HydrophobicContact CB-CG 4.06Å; N222-Q225 PolarHBondContact O-N 3.03Å; Q225-R227 PolarHBondContact O-N 2.74Å
226G42.5Very low55.1Low74 Ų74113.2 Ų113.276%0.76361%0.61SS**  trans-40.3131.4-172.100000113.3N228G226-N228 PolarHBondContact O-N 2.8Å; G226-N228 VanDerWaalsContact O-N 3.15Å
227R36.6Very low52.4Low237 Ų237120 Ų12089%0.89464%0.638SS**  trans-53.3117.9174.6-76.7-177.4171.7176-2.6110.4Q225Q225-R227 PolarHBondContact O-N 2.74Å
228N34.9Very low49.3Very low116 Ų116123.4 Ų123.462%0.6267%0.674SS**  trans-116.2103.4145.8-81.9-39.6000106.6G226 M230G226-N228 PolarHBondContact O-N 2.8Å; G226-N228 VanDerWaalsContact O-N 3.15Å; N228-M230 PolarHBondContact O-N 3.3Å
229P39Very low46.3Very low122 Ų122126.8 Ų126.879%0.79269%0.691SS**  trans-78.3102.7169.830-25.8000107.8
230M37Very low43.5Very low176 Ų176128.1 Ų128.187%0.86771%0.71SS**  trans-110.3115.6166.6-111.2-159.9166.300111.2N228N228-M230 PolarHBondContact O-N 3.3Å
231V36.9Very low41Very low121 Ų121139.3 Ų139.373%0.73375%0.749SS**  trans56.2100.7131.9-173.70000116.8S233V231-S233 PolarHBondContact O-N 3.13Å
232M33.8Very low38.8Very low176 Ų176145.9 Ų145.987%0.86775%0.754SS**  trans-80.1110.9160.4-169.6142.2160.100108.7
233S37.1Very low37.3Very low94 Ų94153.5 Ų153.566%0.65778%0.784SS**  trans-71.5127.8168.4178.70000109.8V231V231-S233 PolarHBondContact O-N 3.13Å
234Q33.2Very low36.1Very low170 Ų170151.3 Ų151.379%0.79478%0.783SS**  trans-121.2102.6163.3-107.3-179.1-8.800108.9
235T30.8Very low35.3Very low112 Ų112150 Ų15069%0.68779%0.794SS**  trans-88.2124160.526.30000108.9
236Y32.7Very low35Very low224 Ų224150 Ų15088%0.87881%0.805SS**  trans-136.2136.9155.5-105-87.5000109.5
237H36.6Very low35Very low187 Ų187152.3 Ų152.387%0.86680%0.803SS**  trans-79.4157.2-175.2-67.919.4000112.8
238G29.6Very low34.9Very low73 Ų73148.7 Ų148.775%0.75380%0.796SS**  trans135.9107.1135.800000120
239Q30.5Very low34.9Very low195 Ų195150 Ų15091%0.91180%0.799SS**  trans84.2105.9140.2-60.7-168.2-1800123.1
240S33.9Very low34.4Very low105 Ų105152.3 Ų152.373%0.73480%0.799SS**  49118.4120-156.30000120.7
241R35Very low34.1Very low254 Ų254148.1 Ų148.196%0.95879%0.792SS**  -160.6128126.5-105.4175.1-163.9-161.15.1112.9
242R31.6Very low33.9Very low231 Ų231150.4 Ų150.487%0.87280%0.795SS**  trans-65.1148.2173.9-66.9170.3167.5-160.6-3114.4
243F30.2Very low33.7Very low215 Ų215151.5 Ų151.594%0.94379%0.789SS**  162.7138.7122.6-129-100.2000108.2
244G30.7Very low33.5Very low71 Ų71157.1 Ų157.173%0.73280%0.802SS**  cis157.2132.52.200000108.4
245G34.2Very low33.5Very low76 Ų76159.3 Ų159.378%0.78480%0.803SS**  trans147.6141.9163.300000116.5
246P48.5Very low33.4Very low122 Ų122164 Ų16479%0.79281%0.814SS**  trans-130.3-179.4-132.231.2-9000117.4
247V41.7Very low33.5Very low121 Ų121158.4 Ų158.473%0.73381%0.808SS**  trans97.2110.9150.9-164.10000117.5
248H35.1Very low33.8Very low162 Ų162155 Ų15575%0.7580%0.803SS**  166.7127.5100.6-152.478.4000112.8
249H34.9Very low33.8Very low144 Ų144160.2 Ų160.267%0.66781%0.809SS**  trans5.1153.2153.1-78.7-118000120.7
250Q28.1Very low33.6Very low170 Ų170156.2 Ų156.279%0.79480%0.803SS**  cis-177.8158.16.7163.7169.919.800109.5
251A31.4Very low33.5Very low88 Ų88155.3 Ų155.373%0.72780%0.802SS**  trans84.897.4157.400000122.3
252Q32.3Very low33.1Very low168 Ų168150.1 Ų150.179%0.78579%0.793SS**  32.1111.2121.6-59.6-62.6-27.700121.5
253R30.3Very low33.2Very low199 Ų199146.3 Ų146.375%0.75179%0.785SS**  28132.2129.7-69.3-163.3165.7-157.5-0.1119.7
254F31.6Very low33.6Very low212 Ų212143.7 Ų143.793%0.9378%0.778SS**  -159.3138.9108.8-91.8-73000111.1
255R34.6Very low33.4Very low216 Ų216143.8 Ų143.882%0.81578%0.779SS**  trans-80.7150.4170-65.9176.2175.6-179.4-3.3109.3
256F27.2Very low33.3Very low211 Ų211145.6 Ų145.693%0.92579%0.786SS**  trans-169.7130137.6-105.4-78000110.6
257S36.3Very low32.2Very low106 Ų106143.2 Ų143.274%0.74178%0.784SS**  trans-90.3152.4151.7-52.10000106.8
258P43.1Very low31.5Very low117 Ų117141.5 Ų141.576%0.7679%0.791SS**  -159.8171.262.437.7-13.2000118.7
259M28.1Very low31.2Very low181 Ų181137.7 Ų137.789%0.89280%0.796SS**  trans54.1122.9147.9-77.4-17415700124.4
260S27.4Very low31.1Very low111 Ų111135.6 Ų135.678%0.77680%0.803SS**  164.4113.8118.2-72.70000108.8
261A30.5Very low31.7Very low87 Ų87133.5 Ų133.572%0.71981%0.807SS**  64.4122.492.500000111.1
262D27.8Very low31.6Very low144 Ų144132.9 Ų132.977%0.7781%0.81SS**  cis-173.9158.734.2-128-53.8000111.2
263H33.7Very low31.6Very low151 Ų151130.4 Ų130.470%0.69981%0.811SS**  trans72.2134.5143.6-141.386.6000121.1
264M37.4Very low32.3Very low160 Ų160126.3 Ų126.379%0.78881%0.81SS**  cis-168.3161-14.3-102.2-159-170.100104.9
265G28.1Very low33Very low74 Ų74121.5 Ų121.576%0.76380%0.803SS**  cis158.4143.12000000103.1
266A31Very low34.6Very low113 Ų113114.3 Ų114.393%0.93479%0.785SS**  -179.5156.555.500000106.4
267G26.4Very low37.1Very low73 Ų73105.6 Ų105.675%0.75376%0.755SS**  cis178.3158.82.300000110.1
268G27.2Very low39.6Very low85 Ų85106.1 Ų106.188%0.87674%0.741SS**  trans69.2113.9161.400000116.6
269G28Very low41.9Very low82 Ų82102.1 Ų102.185%0.84572%0.715SS**  cis97.191.13200000110.4
270A33.3Very low45.1Very low100 Ų10093.5 Ų93.583%0.82667%0.673SS**  trans174123.8140.400000112
271S39.9Very low48.3Very low126 Ų12691 Ų9188%0.88165%0.648SS**  trans-46.4141.8163.946.60000115.8
272G29.8Very low51.4Low75 Ų7586.9 Ų86.977%0.77361%0.614SS**  trans-172103.7163.300000111.9
273S33Very low54.5Low115 Ų11585.2 Ų85.280%0.80460%0.598SS**  trans-43.8141.3-177.9-174.30000115.2
274P43.3Very low57.2Low113 Ų11380.6 Ų80.673%0.73458%0.578SS**  trans-82.7121.3-173.933.4-31.1000110.6S276P274-S276 PolarHBondContact O-N 3.3Å
275S47.7Very low59.8Low112 Ų11273 Ų7378%0.78354%0.541SS*.  trans-90.274.4156.739.20000108.8G277S275-G277 PolarHBondContact O-N 3.29Å
276S66.9Low62.7Low64 Ų6471 Ų7145%0.44852%0.515SS..SBendtrans48.453.3159.3650000117.8P274P274-S276 PolarHBondContact O-N 3.3Å
277G79.5Confident65.4Low28 Ų2870.2 Ų70.229%0.28949%0.492SS..SBendtrans149.6168.1162.700000114.7S275 M326S275-G277 PolarHBondContact O-N 3.29Å; G277-M326 CarbonylContact C-O 3.42Å; G277-M326 WeakPolarHBondContact CA-O 3.46Å
278W89.6Confident68.2Low118 Ų11872.1 Ų72.145%0.44749%0.485SS..EExtended strand (participates in β ladder)trans-96.9107.5-179.2-62.888.9000110.2T325 M326 Y329 A332 F353W278-T325 WeakPolarHBondContact O-CA 3.36Å; W278-M326 PolarHBondContact N-O 2.73Å; W278-M326 PolarHBondContact O-N 2.92Å; W278-Y329 VanDerWaalsContact CD1-CA 3.45Å; W278-Y329 AromaticContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CG 4.22Å; W278-Y329 VanDerWaalsContact CE2-CB 3.43Å; W278-Y329 AromaticContact CE2-CD2 3.8Å; W278-Y329 AromaticContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CD2 3.43Å; W278-Y329 VanDerWaalsContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CE2 4.08Å; W278-Y329 HydrophobicContact CE3-CG 4.44Å; W278-Y329 HydrophobicContact CG-CD2 4.29Å; W278-Y329 AromaticContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CE2 4.31Å; W278-Y329 HydrophobicContact CH2-CG 4.23Å; W278-Y329 AromaticContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CG 4.05Å; W278-Y329 AromaticContact CZ3-CD2 3.48Å; W278-Y329 HydrophobicContact CZ3-CD2 3.48Å; W278-Y329 VanDerWaalsContact CZ3-CD2 3.48Å; W278-Y329 AromaticContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CG 4.43Å; W278-A332 HydrophobicContact CB-CB 3.87Å; W278-F353 HydrophobicContact CB-CE1 4.37Å; W278-F353 HydrophobicContact CE3-CE1 4.44Å
279C92.3Very high71.1Confident33 Ų3368.5 Ų68.522%0.22345%0.447CS..EExtended strand (participates in β ladder)trans-83.7122.9-174.4-166.20000111.4K354C279-K354 HydrophobicContact CB-CB 4.09Å; C279-K354 HydrophobicContact CB-CD 4.11Å; C279-K354 VanDerWaalsContact O-CB 3.29Å; C279-K354 WeakPolarHBondContact O-CB 2.99Å; C279-K354 PolarHBondContact O-N 3.16Å; C279-K354 VanDerWaalsContact SG-CD 3.53Å
280L94.4Very high74.1Confident0 Ų068 Ų680%043%0.425CS..EExtended strand (participates in β ladder)trans-99.7139.1174.9-54.5-174.9000109.4I282 F298 F323 V324 M326 A332 A335 I336 V351 S352 F353L280-I282 HydrophobicContact CB-CD1 4.18Å; L280-F298 HydrophobicContact CD1-CD1 4.01Å; L280-F298 HydrophobicContact CD1-CE1 3.56Å; L280-F323 VanDerWaalsContact O-CA 3.24Å; L280-F323 WeakPolarHBondContact O-CA 3.36Å; L280-V324 WeakPolarHBondContact CA-O 3.48Å; L280-V324 WeakPolarHBondContact CB-O 3.29Å; L280-V324 PolarHBondContact N-O 2.75Å; L280-V324 PolarHBondContact O-N 3.35Å; L280-M326 HydrophobicContact CD1-CG 3.86Å; L280-M326 HydrophobicContact CG-CG 4.35Å; L280-A332 HydrophobicContact CD1-CB 4.34Å; L280-A332 HydrophobicContact CD2-CB 4.08Å; L280-A332 HydrophobicContact CG-CB 4.45Å; L280-A335 HydrophobicContact CD1-CB 4.26Å; L280-I336 HydrophobicContact CD1-CG1 4.26Å; L280-I336 HydrophobicContact CD2-CD1 3.48Å; L280-I336 VanDerWaalsContact CD2-CD1 3.48Å; L280-I336 HydrophobicContact CD2-CG1 3.75Å; L280-V351 HydrophobicContact CB-CG1 4.48Å; L280-V351 HydrophobicContact CD1-CG1 4.45Å; L280-S352 CarbonylContact C-O 3.54Å; L280-S352 WeakPolarHBondContact CA-O 3.44Å; L280-F353 HydrophobicContact CD2-CD1 3.65Å; L280-F353 HydrophobicContact CD2-CE1 3.77Å; L280-F353 HydrophobicContact CD2-CG 4.36Å
281F94.9Very high76.9Confident58 Ų5866.3 Ų66.325%0.25440%0.4SS..EExtended strand (participates in β ladder)trans-99.4127.1169.8176.3-115.2000108.9Y283 F321 F323 V351 S352F281-Y283 HydrophobicContact CE1-CD2 4.03Å; F281-Y283 HydrophobicContact CE1-CG 4.14Å; F281-Y283 AromaticContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CG 4.19Å; F281-F321 HydrophobicContact CE2-CB 3.92Å; F281-F321 AromaticContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CG 4.1Å; F281-F321 HydrophobicContact CZ-CB 4.16Å; F281-F321 HydrophobicContact CZ-CD2 4.47Å; F281-F321 HydrophobicContact CZ-CG 4.5Å; F281-F323 HydrophobicContact CB-CE1 4.43Å; F281-F323 HydrophobicContact CD2-CD1 4.07Å; F281-F323 AromaticContact CD2-CE1 3.51Å; F281-F323 HydrophobicContact CD2-CE1 3.51Å; F281-F323 AromaticContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CE2-CE1 4.24Å; F281-F323 HydrophobicContact CE2-CZ 4.22Å; F281-F323 HydrophobicContact CG-CE1 4.41Å; F281-V351 WeakPolarHBondContact O-CA 3.41Å; F281-S352 PolarHBondContact N-O 3.3Å; F281-S352 PolarHBondContact O-N 2.67Å
282I94.8Very high79.4Confident0 Ų062.2 Ų62.20%038%0.377CS..EExtended strand (participates in β ladder)trans-115.8121.9178.7-57.179.7000107.4L280 L285 L294 F298 F321 G322 V324 Q350 V351L280-I282 HydrophobicContact CB-CD1 4.18Å; I282-L285 HydrophobicContact CG2-CD1 4.38Å; I282-L285 HydrophobicContact CG2-CD2 3.72Å; I282-L285 HydrophobicContact CG2-CG 4.04Å; I282-L294 HydrophobicContact CG2-CD2 4.35Å; I282-F298 HydrophobicContact CD1-CE2 4.41Å; I282-F298 HydrophobicContact CD1-CZ 4.06Å; I282-F298 HydrophobicContact CG1-CE2 3.97Å; I282-F298 HydrophobicContact CG1-CZ 3.66Å; I282-F321 CarbonylContact O-C 3.59Å; I282-F321 WeakPolarHBondContact O-CA 3.49Å; I282-F321 VanDerWaalsContact O-CB 3.31Å; I282-F321 WeakPolarHBondContact O-CB 3.24Å; I282-G322 PolarHBondContact N-O 3.26Å; I282-G322 PolarHBondContact O-N 3.23Å; I282-V324 HydrophobicContact CD1-CB 3.82Å; I282-V324 HydrophobicContact CD1-CG2 3.56Å; I282-V324 HydrophobicContact CG1-CG2 4.48Å; I282-Q350 CarbonylContact C-O 3.56Å; I282-Q350 WeakPolarHBondContact CA-O 3.47Å; I282-V351 HydrophobicContact CG1-CG1 4.33Å; I282-V351 HydrophobicContact CG1-CG2 4.37Å; I282-V351 HydrophobicContact CG2-CG2 4.41Å
283Y93.3Very high82.3Confident110 Ų11061.4 Ų61.443%0.43135%0.354SS..EExtended strand (participates in β ladder)trans-119.9162-179.3-167.6-102.7000111.2F281 G320 F321 Q350F281-Y283 HydrophobicContact CE1-CD2 4.03Å; F281-Y283 HydrophobicContact CE1-CG 4.14Å; F281-Y283 AromaticContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CG 4.19Å; Y283-G320 CarbonylContact C-O 3.49Å; Y283-F321 HydrophobicContact CD2-CB 3.7Å; Y283-F321 HydrophobicContact CD2-CG 4.48Å; Y283-F321 HydrophobicContact CE2-CB 4.33Å; Y283-Q350 PolarHBondContact N-O 3.15Å; Y283-Q350 PolarHBondContact O-N 3.15Å
284N91.4Very high85.2Confident54 Ų5456 Ų5629%0.28932%0.316SS..SBendtrans65.337-176.5-158.129.5000114.3G320 K347 V348N284-G320 WeakPolarHBondContact CA-O 3.45Å; N284-G320 PolarHBondContact N-O 3.44Å; N284-K347 WeakPolarHBondContact O-CD 3.22Å; N284-V348 WeakPolarHBondContact CB-O 3.37Å; N284-V348 PolarHBondContact ND2-N 3.36Å; N284-V348 PolarHBondContact ND2-O 3.45Å
285L91.8Very high87.5Confident1 Ų156.1 Ų56.11%0.00530%0.302CS..  trans-68.9152.5171.9-65.9173.8000111.6I282 A289 L294 G320 K347 L349I282-L285 HydrophobicContact CG2-CD1 4.38Å; I282-L285 HydrophobicContact CG2-CD2 3.72Å; I282-L285 HydrophobicContact CG2-CG 4.04Å; L285-A289 HydrophobicContact CB-CB 3.94Å; L285-A289 HydrophobicContact CD2-CB 4.42Å; L285-L294 HydrophobicContact CD1-CD1 4.2Å; L285-L294 HydrophobicContact CD2-CD2 4.01Å; L285-G320 PolarHBondContact N-O 3.32Å; L285-G320 WeakPolarHBondContact O-CA 3.27Å; L285-K347 PolarHBondContact O-NZ 3.3Å; L285-L349 HydrophobicContact CD2-CD2 3.79Å
286S88.2Confident89.6Confident31 Ų3158 Ų5822%0.21730%0.298CS..  trans-65.9152.8168.7-176.20000110.7D288 A289 C318S286-D288 PolarHBondContact O-N 3.2Å; S286-A289 WeakPolarHBondContact O-CB 3.28Å; S286-A289 PolarHBondContact O-N 2.84Å; S286-C318 WeakPolarHBondContact O-CB 3.46Å
287Q87.4Confident90.8Very high97 Ų9756 Ų5645%0.45328%0.282SS..THydrogen-bonded Turntrans-62-24.6176.464.7-179.20.200112.5K317 C318Q287-K317 HydrophobicContact CB-CD 4.49Å; Q287-C318 WeakPolarHBondContact O-CB 3.43Å; Q287-C318 PolarHBondContact O-N 2.95Å
288D86.1Confident91.5Very high112 Ų11254.6 Ų54.660%0.59927%0.268SS*.THydrogen-bonded Turntrans-95.13.5179-52.7-51.7000112.1S286S286-D288 PolarHBondContact O-N 3.2Å
289A87.6Confident91.6Very high9 Ų950.8 Ų50.87%0.07427%0.265CS..  trans-66.1140177.500000111.4L285 S286 R311L285-A289 HydrophobicContact CB-CB 3.94Å; L285-A289 HydrophobicContact CD2-CB 4.42Å; S286-A289 WeakPolarHBondContact O-CB 3.28Å; S286-A289 PolarHBondContact O-N 2.84Å; A289-R311 PolarHBondContact O-NH2 3.01Å
290D90.6Very high91.7Very high73 Ų7354.3 Ų54.339%0.3929%0.287SS..  trans-127.7172.1178.272.9-8.4000112.9G292 M293 L294 R311D290-G292 VanDerWaalsContact C-N 3.25Å; D290-G292 PolarHBondContact O-N 3.02Å; D290-G292 PolarHBondContact OD1-N 2.77Å; D290-M293 VanDerWaalsContact OD1-CB 3.26Å; D290-M293 WeakPolarHBondContact OD1-CB 3.49Å; D290-M293 PolarHBondContact OD1-N 3.38Å; D290-L294 PolarHBondContact O-N 2.94Å; D290-R311 VanDerWaalsContact CA-NH2 3.34Å
291E92.1Very high91.7Very high64 Ų6456.6 Ų56.630%0.29930%0.298SS..Hα-helixtrans-63.1-35.9179.2-67.177.4-178.900110.9L294 W295 V307 V309 R311E291-L294 PolarHBondContact O-N 2.78Å; E291-W295 PolarHBondContact O-N 3.27Å; E291-V307 HydrophobicContact CB-CG1 4.09Å; E291-V307 HydrophobicContact CG-CG1 4.3Å; E291-V309 HydrophobicContact CG-CB 4.43Å; E291-V309 HydrophobicContact CG-CG2 4.07Å; E291-R311 IonicContact OE1-NE 3.54Å; E291-R311 IonicContact OE1-NH2 2.8Å; E291-R311 IonicContact OE2-CZ 2.62Å; E291-R311 IonicContact OE2-NE 3.56Å; E291-R311 IonicContact OE2-NH2 2.79Å; E291-R311 PolarHBondContact OE2-NH2 3.04Å
292G92.5Very high91.3Very high39 Ų3954.7 Ų54.740%0.40229%0.294SS..Hα-helixtrans-60.6-45.1179.300000112.9D290 L294 W295 Q296D290-G292 VanDerWaalsContact C-N 3.25Å; D290-G292 PolarHBondContact O-N 3.02Å; D290-G292 PolarHBondContact OD1-N 2.77Å; G292-L294 PolarHBondContact O-N 3.09Å; G292-W295 WeakPolarHBondContact O-CB 3.44Å; G292-W295 PolarHBondContact O-N 2.82Å; G292-Q296 PolarHBondContact O-N 3.02Å
293M91.4Very high91.1Very high59 Ų5957.5 Ų57.529%0.29132%0.317SS..Hα-helixtrans-59.4-44.4175.6-17865.6-166.600112.1D290 Q296 M297 L344D290-M293 VanDerWaalsContact OD1-CB 3.26Å; D290-M293 WeakPolarHBondContact OD1-CB 3.49Å; D290-M293 PolarHBondContact OD1-N 3.38Å; M293-Q296 PolarHBondContact O-N 3.37Å; M293-M297 HydrophobicContact CE-CE 4.16Å; M293-M297 HydrophobicContact CE-CG 3.72Å; M293-M297 HydrophobicContact CE-SD 3.53Å; M293-M297 VanDerWaalsContact CE-SD 3.53Å; M293-M297 HydrophobicContact CG-CE 4.17Å; M293-M297 WeakPolarHBondContact O-CG 3.3Å; M293-M297 PolarHBondContact O-N 3.43Å; M293-L344 HydrophobicContact CE-CD1 3.35Å; M293-L344 HydrophobicContact CE-CD2 4.1Å; M293-L344 HydrophobicContact CE-CG 4.39Å; M293-L344 HydrophobicContact CG-CD2 4.46Å
294L92.9Very high91Very high1 Ų153 Ų531%0.00530%0.301CS..Hα-helixtrans-66.3-40177.8-71.7-179000111.9I282 L285 D290 E291 G292 Q296 M297 F298 V307 V309 V324I282-L294 HydrophobicContact CG2-CD2 4.35Å; L285-L294 HydrophobicContact CD1-CD1 4.2Å; L285-L294 HydrophobicContact CD2-CD2 4.01Å; D290-L294 PolarHBondContact O-N 2.94Å; E291-L294 PolarHBondContact O-N 2.78Å; G292-L294 PolarHBondContact O-N 3.09Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 2.82Å; L294-M297 HydrophobicContact CD2-CE 3.73Å; L294-M297 PolarHBondContact O-N 3.33Å; L294-F298 HydrophobicContact CD2-CE2 4.11Å; L294-F298 WeakPolarHBondContact O-CB 3.35Å; L294-F298 VanDerWaalsContact O-CD2 3.3Å; L294-F298 WeakPolarHBondContact O-CD2 3.28Å; L294-F298 PolarHBondContact O-N 2.92Å; L294-V307 HydrophobicContact CB-CG1 3.6Å; L294-V307 HydrophobicContact CD1-CG1 3.79Å; L294-V307 HydrophobicContact CG-CG1 4.34Å; L294-V309 HydrophobicContact CD1-CG2 3.7Å; L294-V324 HydrophobicContact CB-CG2 4.17Å; L294-V324 HydrophobicContact CD1-CG2 4.26Å
295W92.7Very high91Very high115 Ų11553.6 Ų53.644%0.43631%0.306SS..Hα-helixtrans-57.5-44.7172.7-89.7103.6000112E291 G292 G299 V304 V307E291-W295 PolarHBondContact O-N 3.27Å; G292-W295 WeakPolarHBondContact O-CB 3.44Å; G292-W295 PolarHBondContact O-N 2.82Å; W295-G299 PolarHBondContact O-N 2.82Å; W295-V304 HydrophobicContact CD2-CB 4.32Å; W295-V304 HydrophobicContact CD2-CG1 3.9Å; W295-V304 HydrophobicContact CE3-CB 3.59Å; W295-V304 HydrophobicContact CE3-CG1 3.68Å; W295-V304 HydrophobicContact CE3-CG2 4.3Å; W295-V304 HydrophobicContact CH2-CB 3.84Å; W295-V304 HydrophobicContact CH2-CG1 3.68Å; W295-V304 WeakPolarHBondContact CH2-O 3.44Å; W295-V304 HydrophobicContact CZ2-CB 4.5Å; W295-V304 HydrophobicContact CZ2-CG1 3.85Å; W295-V304 HydrophobicContact CZ3-CB 3.35Å; W295-V304 HydrophobicContact CZ3-CG1 3.6Å; W295-V304 HydrophobicContact CZ3-CG2 4.44Å; W295-V304 VanDerWaalsContact CZ3-O 3.27Å; W295-V304 WeakPolarHBondContact CZ3-O 3.39Å; W295-V307 VanDerWaalsContact CD1-CG2 3.47Å; W295-V307 HydrophobicContact CD2-CG2 3.83Å; W295-V307 HydrophobicContact CG-CB 4.49Å; W295-V307 HydrophobicContact CG-CG2 3.79Å; W295-V307 HydrophobicContact CZ2-CG2 4.19Å; W295-V307 VanDerWaalsContact NE1-CG2 3.27Å
296Q92.3Very high90.8Very high153 Ų15357.9 Ų57.972%0.71533%0.33SS*.Hα-helixtrans-68.2-37.3-179.5-172.6173.1-8.400112.8G292 M293 L294 P300G292-Q296 PolarHBondContact O-N 3.02Å; M293-Q296 PolarHBondContact O-N 3.37Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 2.82Å; Q296-P300 VanDerWaalsContact O-CD 3.28Å; Q296-P300 WeakPolarHBondContact O-CD 3.45Å
297M91.6Very high91.1Very high20 Ų2057 Ų5710%0.09932%0.323CS..Hα-helixtrans-72.1-38.5177.9-72.2-165.7-62.400113.1M293 L294 F301 L339 Y342 L344 L349M293-M297 HydrophobicContact CE-CE 4.16Å; M293-M297 HydrophobicContact CE-CG 3.72Å; M293-M297 HydrophobicContact CE-SD 3.53Å; M293-M297 VanDerWaalsContact CE-SD 3.53Å; M293-M297 HydrophobicContact CG-CE 4.17Å; M293-M297 WeakPolarHBondContact O-CG 3.3Å; M293-M297 PolarHBondContact O-N 3.43Å; L294-M297 HydrophobicContact CD2-CE 3.73Å; L294-M297 PolarHBondContact O-N 3.33Å; M297-F301 WeakPolarHBondContact O-CD2 3.48Å; M297-F301 VanDerWaalsContact O-CE2 3.29Å; M297-F301 WeakPolarHBondContact O-CE2 3.23Å; M297-L339 HydrophobicContact CB-CD1 4.39Å; M297-Y342 HydrophobicContact SD-CD1 4.3Å; M297-Y342 HydrophobicContact SD-CE1 4.2Å; M297-L344 HydrophobicContact CE-CD2 4.31Å; M297-L349 HydrophobicContact CE-CD1 3.75Å; M297-L349 HydrophobicContact SD-CD1 4.03Å
298F94.6Very high91.3Very high0 Ų056.1 Ų56.10%032%0.317CS..Hα-helixtrans-90.3-21.9-175.1-76.8-98.4000113.7L280 I282 L294 F301 V304 V324 M326 A335 L339 V351L280-F298 HydrophobicContact CD1-CD1 4.01Å; L280-F298 HydrophobicContact CD1-CE1 3.56Å; I282-F298 HydrophobicContact CD1-CE2 4.41Å; I282-F298 HydrophobicContact CD1-CZ 4.06Å; I282-F298 HydrophobicContact CG1-CE2 3.97Å; I282-F298 HydrophobicContact CG1-CZ 3.66Å; L294-F298 HydrophobicContact CD2-CE2 4.11Å; L294-F298 WeakPolarHBondContact O-CB 3.35Å; L294-F298 VanDerWaalsContact O-CD2 3.3Å; L294-F298 WeakPolarHBondContact O-CD2 3.28Å; L294-F298 PolarHBondContact O-N 2.92Å; F298-F301 PolarHBondContact O-N 2.8Å; F298-F301 VanDerWaalsContact O-N 3.1Å; F298-V304 HydrophobicContact CB-CG2 3.71Å; F298-V324 HydrophobicContact CB-CG1 4.03Å; F298-V324 HydrophobicContact CD1-CB 4.36Å; F298-V324 HydrophobicContact CD1-CG1 3.95Å; F298-V324 HydrophobicContact CD2-CG1 4.45Å; F298-V324 HydrophobicContact CD2-CG2 3.96Å; F298-V324 HydrophobicContact CE2-CG2 4.08Å; F298-V324 HydrophobicContact CG-CB 4.39Å; F298-V324 HydrophobicContact CG-CG1 3.88Å; F298-V324 HydrophobicContact CG-CG2 4.23Å; F298-V324 HydrophobicContact CZ-CG2 4.46Å; F298-M326 HydrophobicContact CB-SD 4.28Å; F298-M326 HydrophobicContact CD1-SD 4.2Å; F298-A335 HydrophobicContact CD1-CB 3.83Å; F298-A335 HydrophobicContact CE1-CB 3.98Å; F298-L339 HydrophobicContact CD1-CD1 3.88Å; F298-L339 HydrophobicContact CD2-CD1 3.84Å; F298-L339 HydrophobicContact CE1-CD1 3.69Å; F298-L339 HydrophobicContact CE2-CD1 3.67Å; F298-L339 HydrophobicContact CG-CD1 3.96Å; F298-L339 HydrophobicContact CZ-CD1 3.59Å; F298-V351 HydrophobicContact CE1-CG1 4.08Å; F298-V351 HydrophobicContact CZ-CG1 3.9Å; F298-V351 HydrophobicContact CZ-CG2 4.26Å
299G91.8Very high91.7Very high37 Ų3751.1 Ų51.138%0.38129%0.291SS..G310 helixtrans-54.9-40.3179.800000115.8W295 F301 G302W295-G299 PolarHBondContact O-N 2.82Å; G299-F301 PolarHBondContact O-N 3.32Å; G299-G302 PolarHBondContact O-N 3.49Å
300P94.4Very high91.8Very high107 Ų10752.3 Ų52.370%0.69530%0.296SS*.G310 helixtrans-62.7-21.6177.1-26.135.6000114.6Q296Q296-P300 VanDerWaalsContact O-CD 3.28Å; Q296-P300 WeakPolarHBondContact O-CD 3.45Å
301F92.8Very high91.9Very high49 Ų4952.8 Ų52.822%0.21529%0.292CS..G310 helixtrans-91-17-177.1-60.2-78.5000113.2M297 F298 G299 M326 E331 M334 A335 S338 L339M297-F301 WeakPolarHBondContact O-CD2 3.48Å; M297-F301 VanDerWaalsContact O-CE2 3.29Å; M297-F301 WeakPolarHBondContact O-CE2 3.23Å; F298-F301 PolarHBondContact O-N 2.8Å; F298-F301 VanDerWaalsContact O-N 3.1Å; G299-F301 PolarHBondContact O-N 3.32Å; F301-M326 HydrophobicContact CB-CE 4.29Å; F301-E331 VanDerWaalsContact O-CB 3.22Å; F301-E331 WeakPolarHBondContact O-CB 3.47Å; F301-E331 VanDerWaalsContact O-CG 3.29Å; F301-E331 WeakPolarHBondContact O-CG 3.48Å; F301-M334 HydrophobicContact CD1-CB 4.48Å; F301-A335 HydrophobicContact CB-CB 3.76Å; F301-A335 HydrophobicContact CD1-CB 4.42Å; F301-A335 HydrophobicContact CD2-CB 4.08Å; F301-A335 HydrophobicContact CG-CB 3.82Å; F301-S338 VanDerWaalsContact CE1-CB 3.41Å; F301-S338 WeakPolarHBondContact CE1-OG 3.29Å; F301-S338 VanDerWaalsContact CZ-CB 3.46Å; F301-L339 HydrophobicContact CD2-CD1 4.1Å; F301-L339 HydrophobicContact CE2-CD1 3.71Å; F301-L339 HydrophobicContact CE2-CD2 4.02Å; F301-L339 HydrophobicContact CE2-CG 3.77Å; F301-L339 HydrophobicContact CZ-CD2 4.36Å; F301-L339 HydrophobicContact CZ-CG 4.16Å
302G88Confident91.5Very high17 Ų1751.8 Ų51.818%0.17529%0.289CS..SBendtrans161.8179.2-176.800000115G299 V304 E331G299-G302 PolarHBondContact O-N 3.49Å; G302-V304 PolarHBondContact O-N 2.81Å; G302-V304 VanDerWaalsContact O-N 3.1Å; G302-E331 VanDerWaalsContact CA-CD 3.49Å; G302-E331 WeakPolarHBondContact CA-OE2 3.01Å
303A88.9Confident91.1Very high59 Ų5958.7 Ų58.749%0.48831%0.308SS..  trans-71.6107.4178.400000110.1A327 E331A303-A327 HydrophobicContact CB-CB 3.97Å; A303-A327 WeakPolarHBondContact O-CB 3.37Å; A303-A327 PolarHBondContact O-N 3.15Å; A303-E331 PolarHBondContact N-OE2 2.91Å; A303-E331 VanDerWaalsContact N-OE2 3.13Å
304V92.6Very high90.6Very high15 Ų1562.5 Ų62.59%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-76.2124.8172.9176.50000108.6W295 F298 G302 V307 V324 M326W295-V304 HydrophobicContact CD2-CB 4.32Å; W295-V304 HydrophobicContact CD2-CG1 3.9Å; W295-V304 HydrophobicContact CE3-CB 3.59Å; W295-V304 HydrophobicContact CE3-CG1 3.68Å; W295-V304 HydrophobicContact CE3-CG2 4.3Å; W295-V304 HydrophobicContact CH2-CB 3.84Å; W295-V304 HydrophobicContact CH2-CG1 3.68Å; W295-V304 WeakPolarHBondContact CH2-O 3.44Å; W295-V304 HydrophobicContact CZ2-CB 4.5Å; W295-V304 HydrophobicContact CZ2-CG1 3.85Å; W295-V304 HydrophobicContact CZ3-CB 3.35Å; W295-V304 HydrophobicContact CZ3-CG1 3.6Å; W295-V304 HydrophobicContact CZ3-CG2 4.44Å; W295-V304 VanDerWaalsContact CZ3-O 3.27Å; W295-V304 WeakPolarHBondContact CZ3-O 3.39Å; F298-V304 HydrophobicContact CB-CG2 3.71Å; G302-V304 PolarHBondContact O-N 2.81Å; G302-V304 VanDerWaalsContact O-N 3.1Å; V304-V307 HydrophobicContact CG1-CG2 3.43Å; V304-V307 VanDerWaalsContact CG1-CG2 3.43Å; V304-V324 HydrophobicContact CG1-CG1 3.89Å; V304-V324 HydrophobicContact CG2-CG1 4.29Å; V304-M326 HydrophobicContact CG2-CE 4.41Å; V304-M326 HydrophobicContact CG2-SD 3.75Å
305V90.2Very high90.2Very high67 Ų6766.6 Ų66.641%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-91.7-39.2-178.5177.70000110.8T325 A327V305-T325 HydrophobicContact CB-CG2 4.16Å; V305-T325 WeakPolarHBondContact CB-O 3.35Å; V305-T325 PolarHBondContact N-O 2.79Å; V305-A327 HydrophobicContact CG2-CB 3.8Å
306N89.1Confident89.6Confident92 Ų9266.6 Ų66.649%0.49236%0.363SS..EExtended strand (participates in β ladder)trans-154.8147.2-177.8-165.912.7000111.2V324 T325N306-V324 CarbonylContact O-C 3.54Å; N306-V324 WeakPolarHBondContact O-CA 3.34Å; N306-T325 PolarHBondContact N-O 3.07Å; N306-T325 PolarHBondContact O-N 2.89Å
307V93.6Very high89.3Confident12 Ų1263.6 Ų63.67%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-135135.1174.4179.70000108.5E291 L294 W295 V304 F323 V324E291-V307 HydrophobicContact CB-CG1 4.09Å; E291-V307 HydrophobicContact CG-CG1 4.3Å; L294-V307 HydrophobicContact CB-CG1 3.6Å; L294-V307 HydrophobicContact CD1-CG1 3.79Å; L294-V307 HydrophobicContact CG-CG1 4.34Å; W295-V307 VanDerWaalsContact CD1-CG2 3.47Å; W295-V307 HydrophobicContact CD2-CG2 3.83Å; W295-V307 HydrophobicContact CG-CB 4.49Å; W295-V307 HydrophobicContact CG-CG2 3.79Å; W295-V307 HydrophobicContact CZ2-CG2 4.19Å; W295-V307 VanDerWaalsContact NE1-CG2 3.27Å; V304-V307 HydrophobicContact CG1-CG2 3.43Å; V304-V307 VanDerWaalsContact CG1-CG2 3.43Å; V307-F323 CarbonylContact C-O 3.57Å; V307-F323 WeakPolarHBondContact CA-O 3.4Å; V307-V324 HydrophobicContact CG1-CG2 4.24Å; V307-V324 HydrophobicContact CG2-CG1 4.34Å; V307-V324 HydrophobicContact CG2-CG2 4.15Å
308K92Very high89.1Confident78 Ų7863.2 Ų63.234%0.33935%0.347SS..EExtended strand (participates in β ladder)trans-141.5117.5178-172.7-179.1-176.4-173.90110.9I310 G322 F323K308-I310 HydrophobicContact CD-CD1 3.95Å; K308-I310 HydrophobicContact CG-CD1 4.11Å; K308-G322 CarbonylContact O-C 3.55Å; K308-G322 WeakPolarHBondContact O-CA 3.29Å; K308-F323 PolarHBondContact N-O 3.21Å; K308-F323 PolarHBondContact O-N 3.46Å
309V93.3Very high88.8Confident8 Ų868.7 Ų68.75%0.04837%0.371CS..EExtended strand (participates in β ladder)trans-92133.2169179.60000108.9E291 L294 R311 C318E291-V309 HydrophobicContact CG-CB 4.43Å; E291-V309 HydrophobicContact CG-CG2 4.07Å; L294-V309 HydrophobicContact CD1-CG2 3.7Å; V309-R311 HydrophobicContact CG1-CG 4.3Å; V309-C318 HydrophobicContact CG1-CB 3.85Å; V309-C318 WeakPolarHBondContact CG1-SG 3.46Å
310I90.6Very high88.7Confident34 Ų3467.4 Ų67.417%0.17436%0.358CS..EExtended strand (participates in β ladder)trans-87.2120.7175.9-57.2-52.7000108.7K308 K319 F321 F323K308-I310 HydrophobicContact CD-CD1 3.95Å; K308-I310 HydrophobicContact CG-CD1 4.11Å; I310-K319 HydrophobicContact CG2-CB 4.49Å; I310-K319 HydrophobicContact CG2-CD 3.94Å; I310-K319 HydrophobicContact CG2-CG 4.3Å; I310-K319 PolarHBondContact O-N 3.4Å; I310-F321 HydrophobicContact CB-CD2 4.06Å; I310-F321 HydrophobicContact CB-CE1 4.28Å; I310-F321 HydrophobicContact CB-CE2 3.68Å; I310-F321 HydrophobicContact CB-CZ 3.79Å; I310-F321 HydrophobicContact CG1-CD2 3.79Å; I310-F321 HydrophobicContact CG1-CE2 3.38Å; I310-F321 HydrophobicContact CG1-CZ 3.98Å; I310-F321 HydrophobicContact CG2-CE1 4.21Å; I310-F321 HydrophobicContact CG2-CE2 4Å; I310-F321 HydrophobicContact CG2-CZ 3.65Å; I310-F321 PolarHBondContact N-O 3.49Å; I310-F323 HydrophobicContact CD1-CD2 4.3Å; I310-F323 HydrophobicContact CD1-CE2 4.07Å; I310-F323 HydrophobicContact CG1-CD2 4.24Å; I310-F323 HydrophobicContact CG1-CE2 3.81Å
311R92.1Very high88.6Confident82 Ų8265 Ų6531%0.30934%0.336SS..EExtended strand (participates in β ladder)trans-111.7151.8-178.2-62.6173.2-173.7-81.91.4111A289 D290 E291 V309 N316 K317A289-R311 PolarHBondContact O-NH2 3.01Å; D290-R311 VanDerWaalsContact CA-NH2 3.34Å; E291-R311 IonicContact OE1-NE 3.54Å; E291-R311 IonicContact OE1-NH2 2.8Å; E291-R311 IonicContact OE2-CZ 2.62Å; E291-R311 IonicContact OE2-NE 3.56Å; E291-R311 IonicContact OE2-NH2 2.79Å; E291-R311 PolarHBondContact OE2-NH2 3.04Å; V309-R311 HydrophobicContact CG1-CG 4.3Å; R311-N316 WeakPolarHBondContact CD-O 3.47Å; R311-N316 PolarHBondContact NH1-O 2.89Å; R311-K317 CarbonylContact C-O 3.52Å; R311-K317 WeakPolarHBondContact CA-O 3.45Å; R311-K317 WeakPolarHBondContact CB-O 3.39Å
312D85.2Confident88.7Confident43 Ų4362.6 Ų62.623%0.2333%0.326CS..  trans-74.4135172.4-166.4-86.4000110N314 N316 K317 K319D312-N314 VanDerWaalsContact C-N 3.28Å; D312-N314 PolarHBondContact O-N 2.97Å; D312-N314 PolarHBondContact OD1-N 3.4Å; D312-N316 VanDerWaalsContact O-CA 3.23Å; D312-N316 WeakPolarHBondContact O-CA 3.25Å; D312-N316 PolarHBondContact O-N 3.32Å; D312-K317 PolarHBondContact N-O 3.41Å; D312-K319 HydrophobicContact CB-CD 4.35Å; D312-K319 HydrophobicContact CB-CG 4.09Å; D312-K319 IonicContact OD2-NZ 3.27Å
313F82.9Confident89Confident185 Ų18563.9 Ų63.981%0.81133%0.327SS*.THydrogen-bonded Turntrans-65.6-30.6-174.7-177.3-100.8000113
314N81.1Confident89.3Confident138 Ų13861 Ų6174%0.73830%0.304SS*.THydrogen-bonded Turntrans-86.8-33.1-175-57.3-61.7000112.2D312D312-N314 VanDerWaalsContact C-N 3.28Å; D312-N314 PolarHBondContact O-N 2.97Å; D312-N314 PolarHBondContact OD1-N 3.4Å
315T85.6Confident89.3Confident87 Ų8761.4 Ų61.453%0.53431%0.306SS..THydrogen-bonded Turntrans-108.9-10.6-173.8660000113.8K317T315-K317 PolarHBondContact O-N 2.96Å; T315-K317 PolarHBondContact OG1-N 3.19Å
316N79.8Confident89.4Confident115 Ų11558.2 Ų58.262%0.61529%0.287SS*.  trans54.29.9-170.2-76.3-53000115.1R311 D312R311-N316 WeakPolarHBondContact CD-O 3.47Å; R311-N316 PolarHBondContact NH1-O 2.89Å; D312-N316 VanDerWaalsContact O-CA 3.23Å; D312-N316 WeakPolarHBondContact O-CA 3.25Å; D312-N316 PolarHBondContact O-N 3.32Å
317K85Confident89.5Confident91 Ų9155.7 Ų55.740%0.39628%0.278SS..  trans-81.7151.8177-65-162173.8-155.70111.4Q287 R311 D312 T315 K319Q287-K317 HydrophobicContact CB-CD 4.49Å; R311-K317 CarbonylContact C-O 3.52Å; R311-K317 WeakPolarHBondContact CA-O 3.45Å; R311-K317 WeakPolarHBondContact CB-O 3.39Å; D312-K317 PolarHBondContact N-O 3.41Å; T315-K317 PolarHBondContact O-N 2.96Å; T315-K317 PolarHBondContact OG1-N 3.19Å; K317-K319 PolarHBondContact O-N 2.81Å
318C87.1Confident89.4Confident11 Ų1159 Ų597%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-61.8131.8176.61770000110.6S286 Q287 V309 G320S286-C318 WeakPolarHBondContact O-CB 3.46Å; Q287-C318 WeakPolarHBondContact O-CB 3.43Å; Q287-C318 PolarHBondContact O-N 2.95Å; V309-C318 HydrophobicContact CG1-CB 3.85Å; V309-C318 WeakPolarHBondContact CG1-SG 3.46Å; C318-G320 PolarHBondContact O-N 3.34Å; C318-G320 PolarHBondContact SG-N 2.89Å
319K88.2Confident89.3Confident115 Ų11560.8 Ų60.850%0.530%0.301SS..EExtended strand (participates in β ladder)trans-77.29.4176.2-56.2-166.981163.40113I310 D312 K317 F321I310-K319 HydrophobicContact CG2-CB 4.49Å; I310-K319 HydrophobicContact CG2-CD 3.94Å; I310-K319 HydrophobicContact CG2-CG 4.3Å; I310-K319 PolarHBondContact O-N 3.4Å; D312-K319 HydrophobicContact CB-CD 4.35Å; D312-K319 HydrophobicContact CB-CG 4.09Å; D312-K319 IonicContact OD2-NZ 3.27Å; K317-K319 PolarHBondContact O-N 2.81Å; K319-F321 HydrophobicContact CB-CD1 4.15Å; K319-F321 HydrophobicContact CB-CE1 3.83Å
320G90.1Very high89.2Confident11 Ų1167.8 Ų67.811%0.11333%0.333CS..EExtended strand (participates in β ladder)trans87.611.9179.500000114.9Y283 N284 L285 C318Y283-G320 CarbonylContact C-O 3.49Å; N284-G320 WeakPolarHBondContact CA-O 3.45Å; N284-G320 PolarHBondContact N-O 3.44Å; L285-G320 PolarHBondContact N-O 3.32Å; L285-G320 WeakPolarHBondContact O-CA 3.27Å; C318-G320 PolarHBondContact O-N 3.34Å; C318-G320 PolarHBondContact SG-N 2.89Å
321F93.6Very high89.3Confident55 Ų5568.4 Ų68.424%0.24134%0.335CS..EExtended strand (participates in β ladder)trans-152.8157.917769-85.5000113.8F281 I282 Y283 I310 K319 F323F281-F321 HydrophobicContact CE2-CB 3.92Å; F281-F321 AromaticContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CG 4.1Å; F281-F321 HydrophobicContact CZ-CB 4.16Å; F281-F321 HydrophobicContact CZ-CD2 4.47Å; F281-F321 HydrophobicContact CZ-CG 4.5Å; I282-F321 CarbonylContact O-C 3.59Å; I282-F321 WeakPolarHBondContact O-CA 3.49Å; I282-F321 VanDerWaalsContact O-CB 3.31Å; I282-F321 WeakPolarHBondContact O-CB 3.24Å; Y283-F321 HydrophobicContact CD2-CB 3.7Å; Y283-F321 HydrophobicContact CD2-CG 4.48Å; Y283-F321 HydrophobicContact CE2-CB 4.33Å; I310-F321 HydrophobicContact CB-CD2 4.06Å; I310-F321 HydrophobicContact CB-CE1 4.28Å; I310-F321 HydrophobicContact CB-CE2 3.68Å; I310-F321 HydrophobicContact CB-CZ 3.79Å; I310-F321 HydrophobicContact CG1-CD2 3.79Å; I310-F321 HydrophobicContact CG1-CE2 3.38Å; I310-F321 HydrophobicContact CG1-CZ 3.98Å; I310-F321 HydrophobicContact CG2-CE1 4.21Å; I310-F321 HydrophobicContact CG2-CE2 4Å; I310-F321 HydrophobicContact CG2-CZ 3.65Å; I310-F321 PolarHBondContact N-O 3.49Å; K319-F321 HydrophobicContact CB-CD1 4.15Å; K319-F321 HydrophobicContact CB-CE1 3.83Å; F321-F323 HydrophobicContact CD2-CE2 4.17Å; F321-F323 HydrophobicContact CD2-CZ 4.36Å; F321-F323 HydrophobicContact CE2-CE2 4.14Å; F321-F323 HydrophobicContact CE2-CZ 4.34Å
322G93.4Very high89.3Confident0 Ų064.5 Ų64.50%032%0.32CS..EExtended strand (participates in β ladder)trans-155.4179.4-178.400000112.3I282 K308I282-G322 PolarHBondContact N-O 3.26Å; I282-G322 PolarHBondContact O-N 3.23Å; K308-G322 CarbonylContact O-C 3.55Å; K308-G322 WeakPolarHBondContact O-CA 3.29Å
323F95.3Very high89.7Confident43 Ų4364 Ų6419%0.18932%0.323CS..EExtended strand (participates in β ladder)trans-132.8137.9-178.8-58.2-84.9000109.8L280 F281 V307 K308 I310 F321 K354L280-F323 VanDerWaalsContact O-CA 3.24Å; L280-F323 WeakPolarHBondContact O-CA 3.36Å; F281-F323 HydrophobicContact CB-CE1 4.43Å; F281-F323 HydrophobicContact CD2-CD1 4.07Å; F281-F323 AromaticContact CD2-CE1 3.51Å; F281-F323 HydrophobicContact CD2-CE1 3.51Å; F281-F323 AromaticContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CE2-CE1 4.24Å; F281-F323 HydrophobicContact CE2-CZ 4.22Å; F281-F323 HydrophobicContact CG-CE1 4.41Å; V307-F323 CarbonylContact C-O 3.57Å; V307-F323 WeakPolarHBondContact CA-O 3.4Å; K308-F323 PolarHBondContact N-O 3.21Å; K308-F323 PolarHBondContact O-N 3.46Å; I310-F323 HydrophobicContact CD1-CD2 4.3Å; I310-F323 HydrophobicContact CD1-CE2 4.07Å; I310-F323 HydrophobicContact CG1-CD2 4.24Å; I310-F323 HydrophobicContact CG1-CE2 3.81Å; F321-F323 HydrophobicContact CD2-CE2 4.17Å; F321-F323 HydrophobicContact CD2-CZ 4.36Å; F321-F323 HydrophobicContact CE2-CE2 4.14Å; F321-F323 HydrophobicContact CE2-CZ 4.34Å; F323-K354 HydrophobicContact CD1-CD 4Å; F323-K354 HydrophobicContact CE1-CD 3.96Å; F323-K354 HydrophobicContact CE1-CG 4.26Å
324V95.3Very high90.2Very high0 Ų060.4 Ų60.40%031%0.31CS..EExtended strand (participates in β ladder)trans-126.7126.1172.6175.90000107.7L280 I282 L294 F298 V304 N306 V307 M326L280-V324 WeakPolarHBondContact CA-O 3.48Å; L280-V324 WeakPolarHBondContact CB-O 3.29Å; L280-V324 PolarHBondContact N-O 2.75Å; L280-V324 PolarHBondContact O-N 3.35Å; I282-V324 HydrophobicContact CD1-CB 3.82Å; I282-V324 HydrophobicContact CD1-CG2 3.56Å; I282-V324 HydrophobicContact CG1-CG2 4.48Å; L294-V324 HydrophobicContact CB-CG2 4.17Å; L294-V324 HydrophobicContact CD1-CG2 4.26Å; F298-V324 HydrophobicContact CB-CG1 4.03Å; F298-V324 HydrophobicContact CD1-CB 4.36Å; F298-V324 HydrophobicContact CD1-CG1 3.95Å; F298-V324 HydrophobicContact CD2-CG1 4.45Å; F298-V324 HydrophobicContact CD2-CG2 3.96Å; F298-V324 HydrophobicContact CE2-CG2 4.08Å; F298-V324 HydrophobicContact CG-CB 4.39Å; F298-V324 HydrophobicContact CG-CG1 3.88Å; F298-V324 HydrophobicContact CG-CG2 4.23Å; F298-V324 HydrophobicContact CZ-CG2 4.46Å; V304-V324 HydrophobicContact CG1-CG1 3.89Å; V304-V324 HydrophobicContact CG2-CG1 4.29Å; N306-V324 CarbonylContact O-C 3.54Å; N306-V324 WeakPolarHBondContact O-CA 3.34Å; V307-V324 HydrophobicContact CG1-CG2 4.24Å; V307-V324 HydrophobicContact CG2-CG1 4.34Å; V307-V324 HydrophobicContact CG2-CG2 4.15Å; V324-M326 HydrophobicContact CG1-SD 3.96Å
325T93Very high90.8Very high23 Ų2353.9 Ų53.914%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-101.6117.6175.1-590000108.6W278 V305 N306W278-T325 WeakPolarHBondContact O-CA 3.36Å; V305-T325 HydrophobicContact CB-CG2 4.16Å; V305-T325 WeakPolarHBondContact CB-O 3.35Å; V305-T325 PolarHBondContact N-O 2.79Å; N306-T325 PolarHBondContact N-O 3.07Å; N306-T325 PolarHBondContact O-N 2.89Å
326M92.3Very high91.3Very high0 Ų050.9 Ų50.90%026%0.255CS..EExtended strand (participates in β ladder)trans-90.9149.4174.7-58.9-63.2-71.800110.2G277 W278 L280 F298 F301 V304 V324 E331 A332G277-M326 CarbonylContact C-O 3.42Å; G277-M326 WeakPolarHBondContact CA-O 3.46Å; W278-M326 PolarHBondContact N-O 2.73Å; W278-M326 PolarHBondContact O-N 2.92Å; L280-M326 HydrophobicContact CD1-CG 3.86Å; L280-M326 HydrophobicContact CG-CG 4.35Å; F298-M326 HydrophobicContact CB-SD 4.28Å; F298-M326 HydrophobicContact CD1-SD 4.2Å; F301-M326 HydrophobicContact CB-CE 4.29Å; V304-M326 HydrophobicContact CG2-CE 4.41Å; V304-M326 HydrophobicContact CG2-SD 3.75Å; V324-M326 HydrophobicContact CG1-SD 3.96Å; M326-E331 HydrophobicContact CE-CB 4.19Å; M326-A332 HydrophobicContact CB-CB 3.78Å; M326-A332 HydrophobicContact CG-CB 3.82Å
327A89.4Confident91.9Very high38 Ų3853.1 Ų53.131%0.31426%0.262SS..SBendtrans-67.1-42177.300000111.8A303 V305A303-A327 HydrophobicContact CB-CB 3.97Å; A303-A327 WeakPolarHBondContact O-CB 3.37Å; A303-A327 PolarHBondContact O-N 3.15Å; V305-A327 HydrophobicContact CG2-CB 3.8Å
328N91.3Very high92.3Very high82 Ų8251.9 Ų51.944%0.43926%0.264SS..SBendtrans-115.8149-171.1-61.3-33.5000112.3E331 A332N328-E331 HydrophobicContact CB-CB 4.14Å; N328-E331 HydrophobicContact CB-CG 3.93Å; N328-E331 VanDerWaalsContact ND2-CD 3.3Å; N328-E331 PolarHBondContact ND2-OE1 3.06Å; N328-E331 PolarHBondContact ND2-OE2 3.48Å; N328-A332 WeakPolarHBondContact O-CB 3.43Å; N328-A332 PolarHBondContact O-N 2.89Å
329Y91.1Very high92.6Very high116 Ų11651.9 Ų51.946%0.45526%0.263SS..Hα-helixtrans-68.1-47.7-178.8178.9-108.1000111.8W278 E331 A332 A333 F353W278-Y329 VanDerWaalsContact CD1-CA 3.45Å; W278-Y329 AromaticContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CG 4.22Å; W278-Y329 VanDerWaalsContact CE2-CB 3.43Å; W278-Y329 AromaticContact CE2-CD2 3.8Å; W278-Y329 AromaticContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CD2 3.43Å; W278-Y329 VanDerWaalsContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CE2 4.08Å; W278-Y329 HydrophobicContact CE3-CG 4.44Å; W278-Y329 HydrophobicContact CG-CD2 4.29Å; W278-Y329 AromaticContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CE2 4.31Å; W278-Y329 HydrophobicContact CH2-CG 4.23Å; W278-Y329 AromaticContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CG 4.05Å; W278-Y329 AromaticContact CZ3-CD2 3.48Å; W278-Y329 HydrophobicContact CZ3-CD2 3.48Å; W278-Y329 VanDerWaalsContact CZ3-CD2 3.48Å; W278-Y329 AromaticContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CG 4.43Å; Y329-E331 VanDerWaalsContact C-N 3.35Å; Y329-E331 PolarHBondContact O-N 3.2Å; Y329-A332 WeakPolarHBondContact O-CB 3.28Å; Y329-A332 PolarHBondContact O-N 3.49Å; Y329-A332 VanDerWaalsContact O-N 3.11Å; Y329-A333 PolarHBondContact O-N 3.3Å; Y329-F353 HydrophobicContact CD2-CE1 4.15Å; Y329-F353 AromaticContact CD2-CZ 3.91Å; Y329-F353 HydrophobicContact CD2-CZ 3.91Å; Y329-F353 AromaticContact CE2-CE1 3.97Å; Y329-F353 HydrophobicContact CE2-CE1 3.97Å; Y329-F353 AromaticContact CE2-CE2 3.98Å; Y329-F353 HydrophobicContact CE2-CE2 3.98Å; Y329-F353 AromaticContact CE2-CZ 3.43Å; Y329-F353 HydrophobicContact CE2-CZ 3.43Å; Y329-F353 VanDerWaalsContact CE2-CZ 3.43Å
330E91.5Very high92.8Very high155 Ų15550.4 Ų50.472%0.72426%0.261SS*.Hα-helixtrans-63-43.8-175.4-63.8179.6175.400110.7A332 A333 M334E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 3.24Å; E330-A333 PolarHBondContact O-N 3.24Å; E330-M334 WeakPolarHBondContact O-CG 3.29Å; E330-M334 PolarHBondContact O-N 3.1Å
331E92.3Very high92.8Very high46 Ų4651.9 Ų51.922%0.21528%0.276CS..Hα-helixtrans-58.7-42.2172-67.2175.8-168.700112F301 G302 A303 M326 N328 Y329 M334 A335F301-E331 VanDerWaalsContact O-CB 3.22Å; F301-E331 WeakPolarHBondContact O-CB 3.47Å; F301-E331 VanDerWaalsContact O-CG 3.29Å; F301-E331 WeakPolarHBondContact O-CG 3.48Å; G302-E331 VanDerWaalsContact CA-CD 3.49Å; G302-E331 WeakPolarHBondContact CA-OE2 3.01Å; A303-E331 PolarHBondContact N-OE2 2.91Å; A303-E331 VanDerWaalsContact N-OE2 3.13Å; M326-E331 HydrophobicContact CE-CB 4.19Å; N328-E331 HydrophobicContact CB-CB 4.14Å; N328-E331 HydrophobicContact CB-CG 3.93Å; N328-E331 VanDerWaalsContact ND2-CD 3.3Å; N328-E331 PolarHBondContact ND2-OE1 3.06Å; N328-E331 PolarHBondContact ND2-OE2 3.48Å; Y329-E331 VanDerWaalsContact C-N 3.35Å; Y329-E331 PolarHBondContact O-N 3.2Å; E331-M334 PolarHBondContact O-N 3.1Å; E331-A335 WeakPolarHBondContact O-CB 3.23Å; E331-A335 PolarHBondContact O-N 3.49Å
332A92.4Very high92.8Very high0 Ų054.6 Ų54.60%029%0.286CS..Hα-helixtrans-65.7-40.9177.100000112.6W278 L280 M326 N328 Y329 E330 A335 I336 F353W278-A332 HydrophobicContact CB-CB 3.87Å; L280-A332 HydrophobicContact CD1-CB 4.34Å; L280-A332 HydrophobicContact CD2-CB 4.08Å; L280-A332 HydrophobicContact CG-CB 4.45Å; M326-A332 HydrophobicContact CB-CB 3.78Å; M326-A332 HydrophobicContact CG-CB 3.82Å; N328-A332 WeakPolarHBondContact O-CB 3.43Å; N328-A332 PolarHBondContact O-N 2.89Å; Y329-A332 WeakPolarHBondContact O-CB 3.28Å; Y329-A332 PolarHBondContact O-N 3.49Å; Y329-A332 VanDerWaalsContact O-N 3.11Å; E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 3.24Å; A332-A335 PolarHBondContact O-N 2.93Å; A332-I336 WeakPolarHBondContact O-CG1 2.99Å; A332-I336 PolarHBondContact O-N 3.11Å; A332-F353 HydrophobicContact CB-CE1 3.95Å; A332-F353 HydrophobicContact CB-CZ 4.32Å
333A92.7Very high92.6Very high34 Ų3461.6 Ų61.628%0.28132%0.319SS..Hα-helixtrans-66.1-40.9177.200000111.6Y329 E330 I336 H337 F353Y329-A333 PolarHBondContact O-N 3.3Å; E330-A333 PolarHBondContact O-N 3.24Å; A333-I336 PolarHBondContact O-N 3.13Å; A333-H337 PolarHBondContact O-N 3.27Å; A333-F353 HydrophobicContact CB-CZ 4.36Å
334M93.6Very high92.1Very high109 Ų10961.4 Ų61.454%0.53732%0.319SS..Hα-helixtrans-63.7-44.1173.4-71.1-162.1-64.200111.8F301 E330 E331 I336 H337 S338F301-M334 HydrophobicContact CD1-CB 4.48Å; E330-M334 WeakPolarHBondContact O-CG 3.29Å; E330-M334 PolarHBondContact O-N 3.1Å; E331-M334 PolarHBondContact O-N 3.1Å; M334-I336 VanDerWaalsContact C-N 3.33Å; M334-I336 PolarHBondContact O-N 3.43Å; M334-H337 PolarHBondContact O-N 2.98Å; M334-H337 VanDerWaalsContact O-N 3.15Å; M334-S338 PolarHBondContact O-N 2.9Å; M334-S338 PolarHBondContact O-OG 3.47Å
335A94.6Very high91.4Very high0 Ų064.9 Ų64.90%036%0.355CS..Hα-helixtrans-59.4-42.9176.300000112L280 F298 F301 E331 A332 S338 L339L280-A335 HydrophobicContact CD1-CB 4.26Å; F298-A335 HydrophobicContact CD1-CB 3.83Å; F298-A335 HydrophobicContact CE1-CB 3.98Å; F301-A335 HydrophobicContact CB-CB 3.76Å; F301-A335 HydrophobicContact CD1-CB 4.42Å; F301-A335 HydrophobicContact CD2-CB 4.08Å; F301-A335 HydrophobicContact CG-CB 3.82Å; E331-A335 WeakPolarHBondContact O-CB 3.23Å; E331-A335 PolarHBondContact O-N 3.49Å; A332-A335 PolarHBondContact O-N 2.93Å; A335-S338 PolarHBondContact O-N 3.17Å; A335-L339 VanDerWaalsContact O-CB 3.23Å; A335-L339 WeakPolarHBondContact O-CB 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.18Å; A335-L339 PolarHBondContact O-N 2.76Å
336I95.1Very high91.1Very high25 Ų2570.6 Ų70.613%0.12838%0.384CS..Hα-helixtrans-60.3-49.1173.2-69.9158.9000110.6L280 A332 A333 M334 S338 L339 N340 V351 F353L280-I336 HydrophobicContact CD1-CG1 4.26Å; L280-I336 HydrophobicContact CD2-CD1 3.48Å; L280-I336 VanDerWaalsContact CD2-CD1 3.48Å; L280-I336 HydrophobicContact CD2-CG1 3.75Å; A332-I336 WeakPolarHBondContact O-CG1 2.99Å; A332-I336 PolarHBondContact O-N 3.11Å; A333-I336 PolarHBondContact O-N 3.13Å; M334-I336 VanDerWaalsContact C-N 3.33Å; M334-I336 PolarHBondContact O-N 3.43Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.33Å; I336-L339 PolarHBondContact O-N 2.86Å; I336-N340 HydrophobicContact CG2-CB 4.37Å; I336-N340 WeakPolarHBondContact O-CB 3.4Å; I336-N340 PolarHBondContact O-N 2.98Å; I336-V351 HydrophobicContact CG1-CG1 3.92Å; I336-V351 WeakPolarHBondContact CG2-O 3.46Å; I336-F353 HydrophobicContact CD1-CD1 4.01Å; I336-F353 HydrophobicContact CD1-CD2 3.45Å; I336-F353 VanDerWaalsContact CD1-CD2 3.45Å; I336-F353 HydrophobicContact CD1-CE1 3.9Å; I336-F353 HydrophobicContact CD1-CE2 3.32Å; I336-F353 HydrophobicContact CD1-CG 3.8Å; I336-F353 HydrophobicContact CD1-CZ 3.56Å
337H92.6Very high90.8Very high162 Ų16273.2 Ų73.275%0.7540%0.396SS*.Hα-helixtrans-59.8-37.9-176.7-174.574.7000112.4A333 M334A333-H337 PolarHBondContact O-N 3.27Å; M334-H337 PolarHBondContact O-N 2.98Å; M334-H337 VanDerWaalsContact O-N 3.15Å
338S92.4Very high91Very high64 Ų6474.5 Ų74.545%0.44840%0.4SS..Hα-helixtrans-87.6-31.1-177.8-61.90000114.6F301 M334 A335 I336F301-S338 VanDerWaalsContact CE1-CB 3.41Å; F301-S338 WeakPolarHBondContact CE1-OG 3.29Å; F301-S338 VanDerWaalsContact CZ-CB 3.46Å; M334-S338 PolarHBondContact O-N 2.9Å; M334-S338 PolarHBondContact O-OG 3.47Å; A335-S338 PolarHBondContact O-N 3.17Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.33Å
339L94.2Very high91.1Very high11 Ų1170.7 Ų70.76%0.05838%0.379CS..Hα-helixtrans-102.3-16.5-173.9-62.6174.8000113.9M297 F298 F301 A335 I336 G341 Y342 V351M297-L339 HydrophobicContact CB-CD1 4.39Å; F298-L339 HydrophobicContact CD1-CD1 3.88Å; F298-L339 HydrophobicContact CD2-CD1 3.84Å; F298-L339 HydrophobicContact CE1-CD1 3.69Å; F298-L339 HydrophobicContact CE2-CD1 3.67Å; F298-L339 HydrophobicContact CG-CD1 3.96Å; F298-L339 HydrophobicContact CZ-CD1 3.59Å; F301-L339 HydrophobicContact CD2-CD1 4.1Å; F301-L339 HydrophobicContact CE2-CD1 3.71Å; F301-L339 HydrophobicContact CE2-CD2 4.02Å; F301-L339 HydrophobicContact CE2-CG 3.77Å; F301-L339 HydrophobicContact CZ-CD2 4.36Å; F301-L339 HydrophobicContact CZ-CG 4.16Å; A335-L339 VanDerWaalsContact O-CB 3.23Å; A335-L339 WeakPolarHBondContact O-CB 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.18Å; A335-L339 PolarHBondContact O-N 2.76Å; I336-L339 PolarHBondContact O-N 2.86Å; L339-G341 PolarHBondContact O-N 3.44Å; L339-Y342 HydrophobicContact CD2-CG 4.42Å; L339-Y342 VanDerWaalsContact O-CB 3.28Å; L339-Y342 WeakPolarHBondContact O-CB 3.29Å; L339-Y342 PolarHBondContact O-N 3.39Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; L339-V351 HydrophobicContact CB-CG2 3.95Å
340N92.9Very high91.2Very high85 Ų8570.3 Ų70.346%0.45538%0.382SS..THydrogen-bonded Turntrans-70.2115.3171.9-171.130.2000109.7I336 Q350 V351I336-N340 HydrophobicContact CG2-CB 4.37Å; I336-N340 WeakPolarHBondContact O-CB 3.4Å; I336-N340 PolarHBondContact O-N 2.98Å; N340-Q350 WeakPolarHBondContact OD1-CA 3.41Å; N340-V351 HydrophobicContact CB-CB 4.15Å; N340-V351 PolarHBondContact OD1-N 3.41Å; N340-V351 VanDerWaalsContact OD1-N 3.09Å
341G90.1Very high91.4Very high42 Ų4263 Ų6343%0.43335%0.348SS..THydrogen-bonded Turntrans94.92.6-171.900000114.6L339 V348 L349L339-G341 PolarHBondContact O-N 3.44Å; G341-V348 WeakPolarHBondContact O-CG1 3.11Å; G341-L349 WeakPolarHBondContact CA-O 3.35Å; G341-L349 PolarHBondContact N-O 2.99Å
342Y92.2Very high91.4Very high112 Ų11263.5 Ų63.544%0.43936%0.356SS..  trans-68133.1179-175-99.2000111.7M297 L339 L344 L349M297-Y342 HydrophobicContact SD-CD1 4.3Å; M297-Y342 HydrophobicContact SD-CE1 4.2Å; L339-Y342 HydrophobicContact CD2-CG 4.42Å; L339-Y342 VanDerWaalsContact O-CB 3.28Å; L339-Y342 WeakPolarHBondContact O-CB 3.29Å; L339-Y342 PolarHBondContact O-N 3.39Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; Y342-L344 HydrophobicContact CD1-CB 4.44Å; Y342-L349 HydrophobicContact CD1-CD1 4.12Å; Y342-L349 PolarHBondContact O-N 3.38Å
343Q90.2Very high91.4Very high147 Ų14766.6 Ų66.669%0.68737%0.37SS*.EExtended strand (participates in β ladder)trans-85.7115.8178.1-70.9-174.8-1.600110.6V348Q343-V348 HydrophobicContact CG-CG2 4.22Å
344L84Confident91.2Very high39 Ų3970.1 Ų70.120%0.20438%0.378CS..EExtended strand (participates in β ladder)trans-11793.6174.4-174.263.1000109.2M293 M297 Y342 K347 L349M293-L344 HydrophobicContact CE-CD1 3.35Å; M293-L344 HydrophobicContact CE-CD2 4.1Å; M293-L344 HydrophobicContact CE-CG 4.39Å; M293-L344 HydrophobicContact CG-CD2 4.46Å; M297-L344 HydrophobicContact CE-CD2 4.31Å; Y342-L344 HydrophobicContact CD1-CB 4.44Å; L344-K347 PolarHBondContact N-O 3.11Å; L344-K347 PolarHBondContact O-N 2.94Å; L344-L349 HydrophobicContact CB-CD1 4.34Å; L344-L349 HydrophobicContact CB-CD2 4.28Å; L344-L349 HydrophobicContact CB-CG 4.19Å; L344-L349 HydrophobicContact CD2-CD1 4.4Å; L344-L349 HydrophobicContact CD2-CD2 4.37Å
345G82.5Confident90.7Very high72 Ų7270.5 Ų70.574%0.74239%0.387SS*.THydrogen-bonded Turntrans70.2-125.8-172.200000111.4K347G345-K347 VanDerWaalsContact C-N 3.31Å
346D85.4Confident88.9Confident143 Ų14377.9 Ų77.977%0.76543%0.427SS*.THydrogen-bonded Turntrans-85.1-2.1175.864.4-46.3000113.4
347K87.1Confident86.8Confident56 Ų5685.9 Ų85.924%0.24346%0.461CS..EExtended strand (participates in β ladder)trans-111.7144.2-174.9-60.9-165.4179.3-159.90112.6N284 L285 L344 G345N284-K347 WeakPolarHBondContact O-CD 3.22Å; L285-K347 PolarHBondContact O-NZ 3.3Å; L344-K347 PolarHBondContact N-O 3.11Å; L344-K347 PolarHBondContact O-N 2.94Å; G345-K347 VanDerWaalsContact C-N 3.31Å
348V92Very high84.3Confident64 Ų6481.4 Ų81.439%0.38846%0.458SS..EExtended strand (participates in β ladder)trans-103.1118.3173.6-173.60000108.6N284 G341 Q343N284-V348 WeakPolarHBondContact CB-O 3.37Å; N284-V348 PolarHBondContact ND2-N 3.36Å; N284-V348 PolarHBondContact ND2-O 3.45Å; G341-V348 WeakPolarHBondContact O-CG1 3.11Å; Q343-V348 HydrophobicContact CG-CG2 4.22Å
349L93.4Very high81.6Confident2 Ų287.9 Ų87.91%0.0148%0.481CS..  trans-69.2142-179.4-59.9-173.8000111L285 M297 G341 Y342 L344L285-L349 HydrophobicContact CD2-CD2 3.79Å; M297-L349 HydrophobicContact CE-CD1 3.75Å; M297-L349 HydrophobicContact SD-CD1 4.03Å; G341-L349 WeakPolarHBondContact CA-O 3.35Å; G341-L349 PolarHBondContact N-O 2.99Å; Y342-L349 HydrophobicContact CD1-CD1 4.12Å; Y342-L349 PolarHBondContact O-N 3.38Å; L344-L349 HydrophobicContact CB-CD1 4.34Å; L344-L349 HydrophobicContact CB-CD2 4.28Å; L344-L349 HydrophobicContact CB-CG 4.19Å; L344-L349 HydrophobicContact CD2-CD1 4.4Å; L344-L349 HydrophobicContact CD2-CD2 4.37Å
350Q93.5Very high78.6Confident109 Ų109100.7 Ų100.751%0.50954%0.536SS..EExtended strand (participates in β ladder)trans-114.9122.6169.4-68.5-179.6-16.400108.5I282 Y283 N340I282-Q350 CarbonylContact C-O 3.56Å; I282-Q350 WeakPolarHBondContact CA-O 3.47Å; Y283-Q350 PolarHBondContact N-O 3.15Å; Y283-Q350 PolarHBondContact O-N 3.15Å; N340-Q350 WeakPolarHBondContact OD1-CA 3.41Å
351V95.3Very high77.9Confident2 Ų2101.5 Ų101.51%0.01254%0.54CS..EExtended strand (participates in β ladder)trans-123.7127.6-177.3-169.80000108.7L280 F281 I282 F298 I336 L339 N340L280-V351 HydrophobicContact CB-CG1 4.48Å; L280-V351 HydrophobicContact CD1-CG1 4.45Å; F281-V351 WeakPolarHBondContact O-CA 3.41Å; I282-V351 HydrophobicContact CG1-CG1 4.33Å; I282-V351 HydrophobicContact CG1-CG2 4.37Å; I282-V351 HydrophobicContact CG2-CG2 4.41Å; F298-V351 HydrophobicContact CE1-CG1 4.08Å; F298-V351 HydrophobicContact CZ-CG1 3.9Å; F298-V351 HydrophobicContact CZ-CG2 4.26Å; I336-V351 HydrophobicContact CG1-CG1 3.92Å; I336-V351 WeakPolarHBondContact CG2-O 3.46Å; L339-V351 HydrophobicContact CB-CG2 3.95Å; N340-V351 HydrophobicContact CB-CB 4.15Å; N340-V351 PolarHBondContact OD1-N 3.41Å; N340-V351 VanDerWaalsContact OD1-N 3.09Å
352S93.1Very high77.2Confident55 Ų55104.6 Ų104.639%0.38555%0.546SS..EExtended strand (participates in β ladder)trans-149.9164.4178.862.30000111.4L280 F281 K354L280-S352 CarbonylContact C-O 3.54Å; L280-S352 WeakPolarHBondContact CA-O 3.44Å; F281-S352 PolarHBondContact N-O 3.3Å; F281-S352 PolarHBondContact O-N 2.67Å; S352-K354 PolarHBondContact O-N 2.98Å
353F93.5Very high76.4Confident66 Ų66104.2 Ų104.229%0.28955%0.552SS.*EExtended strand (participates in β ladder)trans-63.6137.1169.1-74.5-70.8000110.1W278 L280 Y329 A332 A333 I336 T355W278-F353 HydrophobicContact CB-CE1 4.37Å; W278-F353 HydrophobicContact CE3-CE1 4.44Å; L280-F353 HydrophobicContact CD2-CD1 3.65Å; L280-F353 HydrophobicContact CD2-CE1 3.77Å; L280-F353 HydrophobicContact CD2-CG 4.36Å; Y329-F353 HydrophobicContact CD2-CE1 4.15Å; Y329-F353 AromaticContact CD2-CZ 3.91Å; Y329-F353 HydrophobicContact CD2-CZ 3.91Å; Y329-F353 AromaticContact CE2-CE1 3.97Å; Y329-F353 HydrophobicContact CE2-CE1 3.97Å; Y329-F353 AromaticContact CE2-CE2 3.98Å; Y329-F353 HydrophobicContact CE2-CE2 3.98Å; Y329-F353 AromaticContact CE2-CZ 3.43Å; Y329-F353 HydrophobicContact CE2-CZ 3.43Å; Y329-F353 VanDerWaalsContact CE2-CZ 3.43Å; A332-F353 HydrophobicContact CB-CE1 3.95Å; A332-F353 HydrophobicContact CB-CZ 4.32Å; A333-F353 HydrophobicContact CB-CZ 4.36Å; I336-F353 HydrophobicContact CD1-CD1 4.01Å; I336-F353 HydrophobicContact CD1-CD2 3.45Å; I336-F353 VanDerWaalsContact CD1-CD2 3.45Å; I336-F353 HydrophobicContact CD1-CE1 3.9Å; I336-F353 HydrophobicContact CD1-CE2 3.32Å; I336-F353 HydrophobicContact CD1-CG 3.8Å; I336-F353 HydrophobicContact CD1-CZ 3.56Å; F353-T355 PolarHBondContact O-N 3.41Å
354K87.9Confident75.6Confident107 Ų107101.6 Ų101.647%0.46554%0.544SS..  trans-63.8112.1176.1-179.7-178.1174.3-176.20109.4C279 F323 S352C279-K354 HydrophobicContact CB-CB 4.09Å; C279-K354 HydrophobicContact CB-CD 4.11Å; C279-K354 VanDerWaalsContact O-CB 3.29Å; C279-K354 WeakPolarHBondContact O-CB 2.99Å; C279-K354 PolarHBondContact O-N 3.16Å; C279-K354 VanDerWaalsContact SG-CD 3.53Å; F323-K354 HydrophobicContact CD1-CD 4Å; F323-K354 HydrophobicContact CE1-CD 3.96Å; F323-K354 HydrophobicContact CE1-CG 4.26Å; S352-K354 PolarHBondContact O-N 2.98Å
355T81.7Confident75.1Confident117 Ų117105.6 Ų105.672%0.71857%0.565SS**  trans-80.1132.417057.50000109.3F353 K357F353-T355 PolarHBondContact O-N 3.41Å; T355-K357 PolarHBondContact O-N 2.83Å
356N58.3Low74.6Confident155 Ų155107.8 Ų107.883%0.82955%0.553SS**  trans-74.6116.6171.9-142.42.6000106.6G358N356-G358 VanDerWaalsContact C-N 3.3Å; N356-G358 PolarHBondContact O-N 3.47Å
357K51.5Low73.8Confident194 Ų194105.3 Ų105.384%0.84354%0.538SS*.  trans-66.595173.9-75.6-174.8176.6-178.30107.7T355 H359T355-K357 PolarHBondContact O-N 2.83Å; K357-H359 PolarHBondContact O-N 3.45Å
358G39.4Very low72.8Confident68 Ų68109.1 Ų109.170%0.70156%0.561SS**  trans-58.5123.6159.900000107.4N356 K360N356-G358 VanDerWaalsContact C-N 3.3Å; N356-G358 PolarHBondContact O-N 3.47Å; G358-K360 PolarHBondContact O-N 2.96Å
359H35.5Very low71.2Confident199 Ų199112.8 Ų112.892%0.92158%0.575SS**  trans-49.3124.3169-79.9-96.8000108.6K357K357-H359 PolarHBondContact O-N 3.45Å
360K30.8Very low69.1Low280 Ų280122.9 Ų122.9100%1.21763%0.626SS**  trans-115.50162.8-152.4-174-177.6-165.40108G358G358-K360 PolarHBondContact O-N 2.96Å

Retrieved 360 of 360 residues in 127.1 ms (Link to these results)