A0A087XB39_POEFO Loading...

G-patch domain and KOW motifs-containing protein

RNA-binding protein involved in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A087XB39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 519 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.9Very low34.4Very low235 Ų235162.8 Ų162.8100%1.15882%0.824SS**  0126.80-81.9172.8166.200108.2
2H39.3Very low33.8Very low179 Ų179166.9 Ų166.983%0.82983%0.832SS**  trans55.3104.8170.5-61.1-44.1000118.5
3C33.3Very low33.3Very low104 Ų104167.8 Ų167.870%0.70384%0.836SS**  78.4108.571.2-81.60000114.3
4F33.3Very low33Very low179 Ų179163.4 Ų163.479%0.78584%0.838SS**  50.9117.4123.8-83.4-79.3000118.9
5R35.5Very low32.9Very low214 Ų214158.9 Ų158.981%0.80883%0.827SS**  173.8127.887.7-109.5157.1-173.5-166.41.6113
6S34.3Very low32.7Very low109 Ų109160.8 Ų160.876%0.76283%0.83SS**  trans-65.7143.1151.132.80000110.8
7F32.4Very low32.4Very low189 Ų189154.9 Ų154.983%0.82982%0.819SS**  trans-116.5121165.9-95.4-83.9000109.3
8P39.2Very low32.3Very low109 Ų109156.7 Ų156.771%0.70882%0.822SS**  trans-93.1149.2159.334.7-26.4000109.7
9L31.3Very low32.1Very low181 Ų181155.6 Ų155.695%0.94882%0.817SS**  trans-121.4119.8163.6-87.7166000109.6
10Q32Very low32Very low173 Ų173153.7 Ų153.781%0.80881%0.812SS**  trans-104.9134.4179.4-158.5162.99.700107.5
11T32.4Very low31.9Very low119 Ų119152.9 Ų152.973%0.7381%0.813SS**  trans23.9128.1144.6-33.60000119.7
12K27.2Very low31.7Very low212 Ų212146.1 Ų146.192%0.92279%0.794SS**  trans-145.3128.2139.3-106.6-175.9-177.5-177.80111.5
13M28.3Very low31.2Very low179 Ų179143.5 Ų143.588%0.88280%0.796SS**  trans-70.2153.7166.3-66.5-170.7178.700110.9
14A28.8Very low31Very low105 Ų105148 Ų14887%0.86880%0.804SS**  trans-135.1122149.600000108.7
15S30.6Very low30.7Very low96 Ų96144.5 Ų144.567%0.67181%0.808SS**  trans-83.9155.3178.547.90000112.1
16H30.4Very low30.3Very low189 Ų189139.5 Ų139.588%0.87580%0.801SS**  trans158.9124.1139.2-83.6-65.2000105.5
17G28Very low30.1Very low62 Ų62141.7 Ų141.764%0.63980%0.802SS**  cis129.110117.700000106.9
18E30.6Very low29.9Very low187 Ų187137.3 Ų137.387%0.87480%0.795SS**  trans58.9138.3150.1-60.5171.1135.800118.5
19D28.6Very low29.3Very low136 Ų136139.6 Ų139.673%0.72780%0.801SS**  -153.8144.554.5-105.1-46.3000116
20T29.9Very low29.1Very low116 Ų116139.9 Ų139.971%0.71280%0.798SS**  trans7.7143.3142.159.40000120.2
21V29.8Very low29.2Very low138 Ų138140.3 Ų140.384%0.83680%0.8SS**  -161.4141.274.4164.20000111.4
22A30.3Very low29Very low92 Ų92139.4 Ų139.476%0.7681%0.805SS**  trans-89.5156.9173.600000112.9
23S29.3Very low29.4Very low125 Ų125137.8 Ų137.887%0.87480%0.801SS**  trans-150.6121.3148.354.40000112.1
24K28.6Very low29.6Very low199 Ų199139.4 Ų139.487%0.86580%0.797SS**  trans-77.2148.6171.6-112.5172.5173.4175.40110.6
25A26.5Very low30Very low105 Ų105142.9 Ų142.987%0.86879%0.792SS**  trans-157.2153.7143.100000110.7
26V28.2Very low30.4Very low108 Ų108145.2 Ų145.266%0.65580%0.803SS**  trans-141.2137-154.4153.70000108
27I29.7Very low30.6Very low155 Ų155142.2 Ų142.280%0.79580%0.798SS**  trans69143.7157.6-59.7164.1000115.5
28S27.4Very low31.4Very low98 Ų98144 Ų14469%0.68581%0.807SS**  cis-165.116319.826.70000110.8
29D27.7Very low32.2Very low156 Ų156140.4 Ų140.483%0.83480%0.797SS**  trans13.5134.1150.5-72.1-46.9000121.8
30E27.7Very low32.7Very low188 Ų188139.4 Ų139.488%0.87980%0.801SS**  177.4161.695.6-131.9-177129.200112.1
31Q32.7Very low33.5Very low181 Ų181143.1 Ų143.185%0.84681%0.807SS**  trans-66.6147.4-174.4-63.9173.3-28.100114.5
32A29.4Very low33.8Very low101 Ų101139.9 Ų139.984%0.83580%0.802SS**  trans-151.9106.3152.300000111.9
33E35.8Very low34.5Very low178 Ų178145.3 Ų145.383%0.83281%0.809SS**  trans-61141.8153.3-65.3179.2143.800109.8
34R32Very low35.2Very low213 Ų213145.2 Ų145.280%0.80480%0.803SS**  167.7126.1125.7-90.3161.4-175-163.84.3113.6
35K35.9Very low36Very low177 Ų177145 Ų14577%0.7780%0.802SS**  trans64.1120.5133.1-63.1178178.9-176.90119.5T37K35-T37 PolarHBondContact O-N 2.89Å
36T39.1Very low36.8Very low146 Ų146145.9 Ų145.990%0.89680%0.797SS**  trans-52.6113159.749.30000111.2
37T36.4Very low37.8Very low125 Ų125147.2 Ų147.277%0.76781%0.805SS**  trans-81.6113.6169.248.10000109.4K35 V39K35-T37 PolarHBondContact O-N 2.89Å; T37-V39 PolarHBondContact O-N 2.79Å
38A43.3Very low38.3Very low100 Ų100147.8 Ų147.883%0.82681%0.81SS**  trans-65.9120165.800000108.7S40A38-S40 PolarHBondContact O-N 2.87Å
39V47Very low38.8Very low112 Ų112152.9 Ų152.968%0.67982%0.82SS**  trans-83.5110.4176.7-179.20000108T37 F41T37-V39 PolarHBondContact O-N 2.79Å; V39-F41 HydrophobicContact CG1-CD2 3.85Å; V39-F41 HydrophobicContact CG1-CE2 3.51Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å
40S39.6Very low39.2Very low115 Ų115154.4 Ų154.480%0.80482%0.82SS**  trans-96122.1169.650.30000109.7A38A38-S40 PolarHBondContact O-N 2.87Å
41F47.9Very low39.6Very low193 Ų193155.3 Ų155.385%0.84682%0.82SS**  trans-92.7113.1172.3-84.4-88.8000109.8V39V39-F41 HydrophobicContact CG1-CD2 3.85Å; V39-F41 HydrophobicContact CG1-CE2 3.51Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å
42G36.1Very low40.3Very low71 Ų71151.8 Ų151.873%0.73281%0.813SS**  trans-90.3121.2168.800000110.5T44G42-T44 PolarHBondContact O-N 2.99Å
43F43.8Very low40.5Very low205 Ų205152.1 Ų152.190%0.89982%0.816SS**  trans-90.4102.4179-139.3-91.9000109.8K45F43-K45 PolarHBondContact O-N 3.37Å
44T45.3Very low40.6Very low123 Ų123150.8 Ų150.876%0.75582%0.82SS**  trans-83.2110.2173.4530000110G42 T46G42-T44 PolarHBondContact O-N 2.99Å; T44-T46 PolarHBondContact O-N 3.45Å
45K43.4Very low40.9Very low194 Ų194144.5 Ų144.584%0.84382%0.822SS**  trans-74.798.2172.9-121.1-178.7178.7178.60109.5F43F43-K45 PolarHBondContact O-N 3.37Å
46T44.8Very low40.9Very low124 Ų124139.3 Ų139.376%0.76182%0.818SS**  trans-97.499.9167.846.60000109.7T44 N48T44-T46 PolarHBondContact O-N 3.45Å; T46-N48 PolarHBondContact O-N 2.82Å
47V48Very low41.2Very low136 Ų136137.8 Ų137.882%0.82481%0.811SS**  trans-83101164.8-94.60000108.1
48N41.1Very low41.4Very low167 Ų167138.1 Ų138.189%0.89382%0.815SS**  trans-104.1124.4171.4-115.212.6000111.5T46T46-N48 PolarHBondContact O-N 2.82Å
49K37.9Very low41.3Very low206 Ų206139.6 Ų139.690%0.89681%0.814SS**  trans-72.1143.1178.2-72.8171.9175.1173.60111
50F36.8Very low41.2Very low188 Ų188138.3 Ų138.383%0.82582%0.815SS**  trans-42.4149.9176.7-107.9-103.6000117.9
51K35.8Very low41.3Very low206 Ų206144.3 Ų144.390%0.89682%0.82SS**  -164.4141.4115.2-101.8179.1-174.6-176.70111.6
52P45.8Very low41.6Very low108 Ų108141 Ų14170%0.70182%0.815SS**  trans-95.7149.1-177.636.7-28.9000112.1
53A33.7Very low42.5Very low107 Ų107144 Ų14488%0.88481%0.811SS**  trans-109129.8166.500000109.9
54T38.2Very low43.8Very low151 Ų151141.5 Ų141.593%0.92680%0.799SS**  trans-59.3141.3-175.7-51.90000114.4
55G38.3Very low44.9Very low81 Ų81139 Ų13984%0.83578%0.781SS**  trans141.181.1150.500000116.4
56G37.2Very low46.5Very low67 Ų67137.6 Ų137.669%0.69177%0.772SS**  trans167.3139.4165.600000112.8
57P43.7Very low47.8Very low115 Ų115137.2 Ų137.275%0.74776%0.764SS**  trans-68.1156.7-172.929.8-33.9000112.2T59P57-T59 PolarHBondContact O-N 2.84Å
58P41.8Very low48.8Very low132 Ų132136 Ų13686%0.85776%0.757SS**  trans-81.887.6-165.434.2-33000111
59T42.1Very low50.5Low131 Ų131129.4 Ų129.480%0.80473%0.729SS**  trans-75.6121.7159.345.90000108.9P57P57-T59 PolarHBondContact O-N 2.84Å
60A42.9Very low52.2Low84 Ų84126.3 Ų126.369%0.69472%0.72SS**  trans33.5116.4162.100000116.9V62A60-V62 PolarHBondContact O-N 2.84Å
61R43.7Very low53.6Low241 Ų241122.1 Ų122.191%0.90971%0.707SS**  trans-50101.3165.5-67.4177.5177.4177-0.5109E63R61-E63 PolarHBondContact O-N 3.29Å
62V53.5Low54.3Low123 Ų123123.8 Ų123.875%0.74571%0.707SS**  trans-7092.5168.7-178.60000105.7A60 K64A60-V62 PolarHBondContact O-N 2.84Å; V62-K64 PolarHBondContact O-N 2.89Å
63E55Low55.2Low136 Ų136126.4 Ų126.464%0.63672%0.716SS**  trans-6499.1170.4-76.9-176.8167.100108.2R61 D65 K79R61-E63 PolarHBondContact O-N 3.29Å; E63-D65 PolarHBondContact O-N 3.3Å; E63-K79 VanDerWaalsContact CB-NZ 3.35Å; E63-K79 WeakPolarHBondContact OE2-CE 3.42Å; E63-K79 IonicContact OE2-NZ 2.78Å; E63-K79 PolarHBondContact OE2-NZ 2.85Å
64K70.8Confident56.5Low151 Ų151128.5 Ų128.566%0.65771%0.707SS**PPolyproline II helixtrans-67.6121.3176.7-62.5177.8-178.6179.30108.7V62 Y66V62-K64 PolarHBondContact O-N 2.89Å; K64-Y66 HydrophobicContact CB-CE2 4.43Å; K64-Y66 WeakPolarHBondContact O-CD2 3.27Å; K64-Y66 WeakPolarHBondContact O-CE2 3.37Å
65D68.7Low58Low71 Ų71126.5 Ų126.538%0.3869%0.69SS.*PPolyproline II helixtrans-81.4129.2175-161.1-0.4000109.6E63 S77 S78 K79E63-D65 PolarHBondContact O-N 3.3Å; D65-S77 WeakPolarHBondContact OD2-CB 3.37Å; D65-S77 PolarHBondContact OD2-OG 3.23Å; D65-S78 WeakPolarHBondContact OD1-CA 3.46Å; D65-S78 PolarHBondContact OD1-N 3.24Å; D65-S78 PolarHBondContact OD1-OG 3.32Å; D65-K79 PolarHBondContact OD1-N 2.71Å
66Y76.1Confident59.1Low165 Ų165128 Ų12865%0.64768%0.675SS**PPolyproline II helixtrans-103.3136.1-179.1-63.6-83.7000110.2K64 S77 S78K64-Y66 HydrophobicContact CB-CE2 4.43Å; K64-Y66 WeakPolarHBondContact O-CD2 3.27Å; K64-Y66 WeakPolarHBondContact O-CE2 3.37Å; Y66-S77 CarbonylContact O-C 3.56Å; Y66-S77 WeakPolarHBondContact O-CA 3.34Å; Y66-S78 PolarHBondContact N-OG 3.31Å; Y66-S78 PolarHBondContact O-N 3.18Å
67L71.6Confident60.9Low115 Ų115126.2 Ų126.260%0.60265%0.652SS**EExtended strand (participates in β ladder)trans-80.8120176.3-65168.9000110.1L75 Q76L67-L75 HydrophobicContact CD1-CD2 4.19Å; L67-L75 HydrophobicContact CD2-CB 4.01Å; L67-L75 HydrophobicContact CD2-CD2 4.49Å; L67-Q76 CarbonylContact C-O 3.57Å; L67-Q76 WeakPolarHBondContact CA-O 3.34Å
68T70.8Confident62Low111 Ų111124 Ų12468%0.68164%0.64SS**EExtended strand (participates in β ladder)trans-93-20.3-175.27.30000113.5Q76T68-Q76 PolarHBondContact N-O 3.21Å; T68-Q76 PolarHBondContact OG1-O 3.14Å
69G75.9Confident63Low28 Ų28122.2 Ų122.229%0.28962%0.618SS.*EExtended strand (participates in β ladder)trans-177.9166.8178.600000115.1Q76G69-Q76 PolarHBondContact O-N 2.84Å
70I74.1Confident64Low141 Ų141121.4 Ų121.472%0.72362%0.615SS**EExtended strand (participates in β ladder)trans-120.8117.9173.1-62.1164.4000107.1L75I70-L75 HydrophobicContact CD1-CD2 4.18Å; I70-L75 HydrophobicContact CG1-CD2 3.53Å
71D65.7Low64.6Low100 Ų100123.2 Ų123.254%0.53562%0.618SS.*EExtended strand (participates in β ladder)trans-122.2111.3174.2-154.70.6000110.4N73 E74D71-N73 PolarHBondContact O-N 3.18Å; D71-E74 PolarHBondContact N-O 3.4Å; D71-E74 PolarHBondContact O-N 3.02Å
72R51.8Low65.5Low242 Ų242119.1 Ų119.191%0.91361%0.609SS**THydrogen-bonded Turntrans47.1-13.2173.5-66.2-178.6-178.5-173.20.5120.6
73N62.9Low65.9Low163 Ų163122.1 Ų122.187%0.87261%0.612SS**THydrogen-bonded Turntrans179.63.8157.1-121.616.5000112.9D71D71-N73 PolarHBondContact O-N 3.18Å
74E61.9Low66.4Low151 Ų151121.6 Ų121.671%0.70662%0.62SS**EExtended strand (participates in β ladder)trans-115.6134.9-175.4-68.4-178.517800111.8D71D71-E74 PolarHBondContact N-O 3.4Å; D71-E74 PolarHBondContact O-N 3.02Å
75L68.7Low66.3Low109 Ų109122.4 Ų122.457%0.57162%0.624SS**EExtended strand (participates in β ladder)trans-89.8115.8177-76.9164.1000109.1L67 I70L67-L75 HydrophobicContact CD1-CD2 4.19Å; L67-L75 HydrophobicContact CD2-CB 4.01Å; L67-L75 HydrophobicContact CD2-CD2 4.49Å; I70-L75 HydrophobicContact CD1-CD2 4.18Å; I70-L75 HydrophobicContact CG1-CD2 3.53Å
76Q63Low66.4Low111 Ų111124.8 Ų124.852%0.51964%0.637SS.*EExtended strand (participates in β ladder)trans-86.6122.1177.4-64.2-174.1-19.900109.5L67 T68 G69L67-Q76 CarbonylContact C-O 3.57Å; L67-Q76 WeakPolarHBondContact CA-O 3.34Å; T68-Q76 PolarHBondContact N-O 3.21Å; T68-Q76 PolarHBondContact OG1-O 3.14Å; G69-Q76 PolarHBondContact O-N 2.84Å
77S73.3Confident66.7Low30 Ų30120.8 Ų120.821%0.2163%0.626CS.*EExtended strand (participates in β ladder)trans-104.4157.7176.954.70000112.3D65 Y66 K79D65-S77 WeakPolarHBondContact OD2-CB 3.37Å; D65-S77 PolarHBondContact OD2-OG 3.23Å; Y66-S77 CarbonylContact O-C 3.56Å; Y66-S77 WeakPolarHBondContact O-CA 3.34Å; S77-K79 VanDerWaalsContact C-N 3.26Å; S77-K79 PolarHBondContact O-N 3.42Å; S77-K79 PolarHBondContact OG-O 2.87Å
78S67.1Low67.3Low69 Ų69120.5 Ų120.548%0.48362%0.624SS.*SBendtrans-67.1-23.3-179.463.60000113.8D65 Y66D65-S78 WeakPolarHBondContact OD1-CA 3.46Å; D65-S78 PolarHBondContact OD1-N 3.24Å; D65-S78 PolarHBondContact OD1-OG 3.32Å; Y66-S78 PolarHBondContact N-OG 3.31Å; Y66-S78 PolarHBondContact O-N 3.18Å
79K63.5Low68.1Low94 Ų94118.2 Ų118.241%0.40961%0.607SS.*SBendtrans-97.5115.3163.3-63.2179.1176.7-176.90108.4E63 D65 S77 T81E63-K79 VanDerWaalsContact CB-NZ 3.35Å; E63-K79 WeakPolarHBondContact OE2-CE 3.42Å; E63-K79 IonicContact OE2-NZ 2.78Å; E63-K79 PolarHBondContact OE2-NZ 2.85Å; D65-K79 PolarHBondContact OD1-N 2.71Å; S77-K79 VanDerWaalsContact C-N 3.26Å; S77-K79 PolarHBondContact O-N 3.42Å; S77-K79 PolarHBondContact OG-O 2.87Å; K79-T81 PolarHBondContact O-N 2.87Å
80P62.2Low68.3Low115 Ų115121.5 Ų121.575%0.74762%0.623SS**  trans-61.6126.1175.825.5-31.7000108.5E82P80-E82 PolarHBondContact O-N 2.87Å
81T55.8Low68.5Low122 Ų122119.3 Ų119.375%0.74861%0.613SS**  trans-51.1112173.9-47.60000108.7K79 K83K79-T81 PolarHBondContact O-N 2.87Å; T81-K83 PolarHBondContact O-N 2.76Å
82E62.8Low68.9Low155 Ų155119.1 Ų119.172%0.72461%0.61SS**PPolyproline II helixtrans-58.2117.9177.1-68.7-170-176.600107.7P80P80-E82 PolarHBondContact O-N 2.87Å
83K61.4Low69.7Low186 Ų186114.9 Ų114.981%0.80960%0.601SS**PPolyproline II helixtrans-56.7132.7172.9-67.7179.8-179.6178.10107.1T81 K85T81-K83 PolarHBondContact O-N 2.76Å; K83-K85 PolarHBondContact O-N 3.18Å
84P66.6Low70Confident124 Ų124116 Ų11681%0.80560%0.598SS**PPolyproline II helixtrans-54.4121.4-179.621.8-31.9000108.3D86P84-D86 PolarHBondContact O-N 3.21Å
85K68.3Low70.3Confident169 Ų169111.4 Ų111.474%0.73558%0.578SS**PPolyproline II helixtrans-59.8135.7179.5-67.1174.5-175.1167.90107.8K83 L87K83-K85 PolarHBondContact O-N 3.18Å; K85-L87 PolarHBondContact O-N 2.84Å
86D70.3Confident70.2Confident121 Ų121117.1 Ų117.165%0.64759%0.592SS**  trans-61.5110.3175.5-81-46.9000109.3P84 I88 K199P84-D86 PolarHBondContact O-N 3.21Å; D86-I88 PolarHBondContact O-N 3.17Å; D86-K199 IonicContact OD1-NZ 2.82Å; D86-K199 PolarHBondContact OD1-NZ 3.31Å
87L83.6Confident70.4Confident81 Ų81116.3 Ų116.342%0.42458%0.584SS.*  trans-65.9127.2171.7-63.4170.7000108.1K85 V188 A192 A196K85-L87 PolarHBondContact O-N 2.84Å; L87-V188 HydrophobicContact CD1-CG1 3.9Å; L87-V188 HydrophobicContact CD1-CG2 4.22Å; L87-A192 HydrophobicContact CD1-CB 4.34Å; L87-A196 HydrophobicContact CB-CB 3.57Å; L87-A196 VanDerWaalsContact O-CA 3.22Å; L87-A196 WeakPolarHBondContact O-CA 3.48Å; L87-A196 WeakPolarHBondContact O-CB 3.35Å
88I84.4Confident69.8Low108 Ų108119.3 Ų119.355%0.55461%0.606SS**  trans-134.3119.6177.4-57.7172.9000107.2D86 P90 K199D86-I88 PolarHBondContact O-N 3.17Å; I88-P90 WeakPolarHBondContact O-CD 3.23Å; I88-K199 HydrophobicContact CG1-CB 4.27Å; I88-K199 HydrophobicContact CG1-CD 4.36Å; I88-K199 HydrophobicContact CG2-CB 4.46Å
89I86.5Confident69.1Low64 Ų64127.4 Ų127.433%0.32863%0.626SS.*  trans-102.699.6177.6-60.9169.5000108Y193 A196 G200I89-Y193 HydrophobicContact CD1-CD2 3.64Å; I89-Y193 HydrophobicContact CD1-CE2 3.4Å; I89-Y193 VanDerWaalsContact CD1-CE2 3.4Å; I89-A196 HydrophobicContact CD1-CB 3.99Å; I89-A196 HydrophobicContact CG1-CB 3.95Å; I89-A196 PolarHBondContact N-O 3.2Å; I89-G200 VanDerWaalsContact O-CA 3.27Å; I89-G200 WeakPolarHBondContact O-CA 3.24Å
90P80.4Confident68.3Low96 Ų96127.5 Ų127.562%0.62364%0.644SS**  trans-61.7142.2-172.926-34.6000112.2I88 I92I88-P90 WeakPolarHBondContact O-CD 3.23Å; P90-I92 PolarHBondContact O-N 3.3Å
91L78.8Confident67.6Low96 Ų96125.3 Ų125.350%0.50364%0.642SS.*  trans-71.8114.1175-175.566.3000110.5Q93L91-Q93 PolarHBondContact O-N 2.75Å
92I74.5Confident67Low95 Ų95128.4 Ų128.449%0.48765%0.648SS.*  trans-76.1105.1177.1-56.2169.8000108.6P90 N95P90-I92 PolarHBondContact O-N 3.3Å; I92-N95 HydrophobicContact CG2-CB 4.31Å
93Q68.2Low65.9Low153 Ų153133.2 Ų133.272%0.71566%0.659SS**SBendtrans-81.1-31.4177.4-66.4-176.5-9.800113.2L91L91-Q93 PolarHBondContact O-N 2.75Å
94K68.9Low64.6Low188 Ų188127.6 Ų127.682%0.81765%0.654SS**SBendtrans-142.7121.8173.4-65.5-178.8-178.1175.90107.6
95N67.3Low63.3Low53 Ų53131.8 Ų131.828%0.28366%0.663SS.*  trans-69.9139177.9-168.2-0.9000109.9I92 W97I92-N95 HydrophobicContact CG2-CB 4.31Å; N95-W97 HydrophobicContact CB-CD2 4.21Å; N95-W97 HydrophobicContact CB-CE3 4.25Å; N95-W97 HydrophobicContact CB-CH2 3.58Å; N95-W97 HydrophobicContact CB-CZ2 3.49Å; N95-W97 VanDerWaalsContact CB-CZ2 3.49Å; N95-W97 HydrophobicContact CB-CZ3 3.95Å; N95-W97 PolarHBondContact ND2-NE1 2.87Å; N95-W97 WeakPolarHBondContact O-CZ3 3.31Å
96R67.9Low61.4Low229 Ų229127 Ų12786%0.86466%0.662SS**  trans-113.385.7173.3-94-174.5173.7175.2-0.6107.2S98R96-S98 PolarHBondContact O-N 2.99Å; R96-S98 PolarHBondContact O-OG 3.36Å
97W67.7Low59.9Low94 Ų94129.7 Ų129.736%0.35668%0.676SS.*  trans-57.5107.9174.9-59.9-94.6000109.3N95 K160 P162 L175N95-W97 HydrophobicContact CB-CD2 4.21Å; N95-W97 HydrophobicContact CB-CE3 4.25Å; N95-W97 HydrophobicContact CB-CH2 3.58Å; N95-W97 HydrophobicContact CB-CZ2 3.49Å; N95-W97 VanDerWaalsContact CB-CZ2 3.49Å; N95-W97 HydrophobicContact CB-CZ3 3.95Å; N95-W97 PolarHBondContact ND2-NE1 2.87Å; N95-W97 WeakPolarHBondContact O-CZ3 3.31Å; W97-K160 WeakPolarHBondContact CZ2-O 3.45Å; W97-P162 HydrophobicContact CD2-CG 4.11Å; W97-P162 HydrophobicContact CG-CG 4.24Å; W97-L175 HydrophobicContact CB-CD2 4Å
98S60.2Low57.3Low94 Ų94128.9 Ų128.966%0.65769%0.687SS**  trans-86.1124176.1-630000107.9R96 A100R96-S98 PolarHBondContact O-N 2.99Å; R96-S98 PolarHBondContact O-OG 3.36Å; S98-A100 PolarHBondContact O-N 3.33Å; S98-A100 VanDerWaalsContact O-N 3.07Å
99R51.2Low54.7Low239 Ų239133 Ų13390%0.90270%0.701SS**  trans-66108.6166.6-97.6-178.8-178.8169.41.4107.6G101R99-G101 PolarHBondContact O-N 3.11Å
100A47.4Very low52Low96 Ų96136.2 Ų136.279%0.79373%0.726SS**THydrogen-bonded Turntrans-68.279.7170.200000109.3S98S98-A100 PolarHBondContact O-N 3.33Å; S98-A100 VanDerWaalsContact O-N 3.07Å
101G47Very low49.6Very low68 Ų68140.5 Ų140.570%0.70174%0.738SS**THydrogen-bonded Turntrans-150.21.8174.200000113.4R99R99-G101 PolarHBondContact O-N 3.11Å
102Q43.9Very low47.4Very low188 Ų188140.4 Ų140.488%0.87975%0.751SS**  trans-130.558.5175.8-76.6-176.4-19.500110.6
103R40.3Very low45.3Very low256 Ų256140.6 Ų140.697%0.96677%0.766SS**  trans-127.476.8151-81.9-172.6-175.71752.5107.2
104G33.1Very low43.7Very low67 Ų67142 Ų14269%0.69177%0.773SS**  trans-136.2123.2165.500000107.2
105E39.1Very low42.2Very low212 Ų212144.7 Ų144.799%0.99178%0.778SS**  trans-54.3134.1168-68.4171.9116.700109.7
106G28.9Very low41Very low69 Ų69150.2 Ų150.271%0.71181%0.808SS**  trans179.986.1-178.500000112G108G106-G108 PolarHBondContact O-N 2.59Å
107N38.9Very low39.8Very low178 Ų178141.7 Ų141.795%0.95279%0.791SS**  trans-46.6116.4161.9-176.223.1000110.2
108G27.8Very low39.3Very low64 Ų64145.6 Ų145.666%0.6682%0.819SS**  trans-174.2100.6179.300000111.3G106G106-G108 PolarHBondContact O-N 2.59Å
109K31.1Very low39.4Very low195 Ų195143.7 Ų143.785%0.84881%0.805SS**  trans-47.2137.5165.9-74.6170.5170.8177.40109.9E111K109-E111 PolarHBondContact O-N 3.26Å
110P30.2Very low40.4Very low130 Ų130137.7 Ų137.784%0.84480%0.795SS**  trans-73.6108.5159.628.4-24.4000107.3A112P110-A112 PolarHBondContact O-N 2.86Å
111E28.7Very low41.3Very low186 Ų186139.7 Ų139.787%0.86979%0.788SS**  trans-55.5124.5162.5-81.9-178.1145.600108.6K109 A113K109-E111 PolarHBondContact O-N 3.26Å; E111-A113 PolarHBondContact O-N 3.17Å; E111-A113 VanDerWaalsContact O-N 3.13Å
112A32.4Very low42.8Very low94 Ų94140.4 Ų140.478%0.77778%0.782SS**  trans-62.9107.916400000108P110 E114P110-A112 PolarHBondContact O-N 2.86Å; A112-E114 PolarHBondContact O-N 2.92Å
113A30.4Very low44.5Very low99 Ų99138.1 Ų138.182%0.81877%0.772SS**  trans-86.689.6159.100000107.4E111 R115E111-A113 PolarHBondContact O-N 3.17Å; E111-A113 VanDerWaalsContact O-N 3.13Å; A113-R115 PolarHBondContact O-N 3.48Å
114E35.5Very low46.2Very low182 Ų182128 Ų12885%0.8574%0.743SS**  trans-58.8124.3155.4-73.4-179.2158.800108.3A112A112-E114 PolarHBondContact O-N 2.92Å
115R36.8Very low48.5Very low245 Ų245128.8 Ų128.893%0.92573%0.734SS**  trans-129100146.2-77.4-167.5-179.1163.82.1108.4A113A113-R115 PolarHBondContact O-N 3.48Å
116D42.6Very low50.6Low169 Ų169125.8 Ų125.890%0.90472%0.718SS**  trans-30.3135.6159.3-136.1-7.2000113.4
117G42.5Very low53.2Low50 Ų50129.2 Ų129.252%0.51572%0.715SS.*  trans164.678.1179.300000111.4S119G117-S119 PolarHBondContact O-N 3.5Å
118D56.6Low55.2Low176 Ų176126.7 Ų126.794%0.94170%0.701SS**  trans-53.2103.2161.8-90.7-24000108.9
119S62.4Low57.8Low54 Ų54129 Ų12938%0.37870%0.697SS.*  trans-153.8137.4171.3-177.20000107.7G117 E121 S122G117-S119 PolarHBondContact O-N 3.5Å; S119-E121 VanDerWaalsContact CB-OE2 3.26Å; S119-E121 WeakPolarHBondContact CB-OE2 3.47Å; S119-E121 PolarHBondContact O-N 2.8Å; S119-E121 PolarHBondContact OG-OE2 3.41Å; S119-S122 PolarHBondContact O-N 3.33Å
120V72.6Confident60.3Low114 Ų114124.1 Ų124.169%0.69168%0.677SS**Hα-helixtrans-38-26.7177.2177.30000113.5Q123 A124V120-Q123 PolarHBondContact O-N 3.05Å; V120-A124 WeakPolarHBondContact O-CB 3.43Å; V120-A124 PolarHBondContact O-N 3.43Å
121E66.8Low62.4Low137 Ų137122.4 Ų122.464%0.6466%0.661SS**Hα-helixtrans-60.1-40.1175-65.3146.5161.400114S119 A124 V125S119-E121 VanDerWaalsContact CB-OE2 3.26Å; S119-E121 WeakPolarHBondContact CB-OE2 3.47Å; S119-E121 PolarHBondContact O-N 2.8Å; S119-E121 PolarHBondContact OG-OE2 3.41Å; E121-A124 PolarHBondContact O-N 2.8Å; E121-V125 VanDerWaalsContact O-CG2 3.28Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3.48Å
122S78Confident64.6Low83 Ų83116.4 Ų116.458%0.5864%0.64SS**Hα-helixtrans-70-33.5178.1-68.60000112.2S119 K126S119-S122 PolarHBondContact O-N 3.33Å; S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 3.44Å; S122-K126 VanDerWaalsContact O-N 3.16Å
123Q79.2Confident66.9Low141 Ų141120 Ų12066%0.65963%0.633SS**Hα-helixtrans-70.3-42.2170.6-86.1175.8-22.600111.3V120 V125 K126 E127V120-Q123 PolarHBondContact O-N 3.05Å; Q123-V125 PolarHBondContact O-N 3.22Å; Q123-K126 PolarHBondContact O-N 2.99Å; Q123-E127 PolarHBondContact O-N 3.35Å
124A76.8Confident69.1Low43 Ų43121.6 Ų121.636%0.35562%0.618SS.*Hα-helixtrans-62.2-40.7176.800000112.4V120 E121 K126 E127 L128V120-A124 WeakPolarHBondContact O-CB 3.43Å; V120-A124 PolarHBondContact O-N 3.43Å; E121-A124 PolarHBondContact O-N 2.8Å; A124-K126 VanDerWaalsContact C-N 3.34Å; A124-E127 PolarHBondContact O-N 3.22Å; A124-L128 WeakPolarHBondContact O-CB 3.35Å; A124-L128 WeakPolarHBondContact O-CD1 3.32Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 2.79Å
125V80.9Confident70.5Confident84 Ų84118.4 Ų118.451%0.50960%0.603SS.*Hα-helixtrans-64.8-40.6175.1171.30000110.9E121 Q123 L128 I129E121-V125 VanDerWaalsContact O-CG2 3.28Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3.48Å; Q123-V125 PolarHBondContact O-N 3.22Å; V125-L128 PolarHBondContact O-N 2.92Å; V125-I129 HydrophobicContact CG1-CD1 3.87Å; V125-I129 WeakPolarHBondContact O-CD1 2.89Å; V125-I129 VanDerWaalsContact O-CG1 3.24Å; V125-I129 WeakPolarHBondContact O-CG1 3.21Å; V125-I129 PolarHBondContact O-N 3.24Å
126K83.6Confident71.8Confident149 Ų149112 Ų11265%0.64859%0.587SS**Hα-helixtrans-66.4-41.7177.6-165.4176.4-178.2-178.80111.9S122 Q123 A124 I129 E130S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 3.44Å; S122-K126 VanDerWaalsContact O-N 3.16Å; Q123-K126 PolarHBondContact O-N 2.99Å; A124-K126 VanDerWaalsContact C-N 3.34Å; K126-I129 PolarHBondContact O-N 2.97Å; K126-E130 WeakPolarHBondContact O-CB 3.38Å; K126-E130 PolarHBondContact O-N 3.39Å
127E83Confident73Confident141 Ų141108 Ų10866%0.65956%0.563SS**Hα-helixtrans-66.5-39.7174.8-74.2-166.2172.200112Q123 A124 I129 E130 D131Q123-E127 PolarHBondContact O-N 3.35Å; A124-E127 PolarHBondContact O-N 3.22Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.42Å; E127-E130 PolarHBondContact O-N 3.32Å; E127-D131 VanDerWaalsContact O-CB 3.25Å; E127-D131 WeakPolarHBondContact O-CB 3.11Å; E127-D131 PolarHBondContact O-N 3.31Å
128L80.3Confident74Confident124 Ų124111.6 Ų111.665%0.64957%0.569SS**Hα-helixtrans-61.9-39.8174.2-80.2163.6000112.4A124 V125 S132A124-L128 WeakPolarHBondContact O-CB 3.35Å; A124-L128 WeakPolarHBondContact O-CD1 3.32Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 2.79Å; V125-L128 PolarHBondContact O-N 2.92Å; L128-S132 WeakPolarHBondContact O-CB 3.34Å; L128-S132 PolarHBondContact O-N 2.82Å
129I84.1Confident73.9Confident114 Ų114114.1 Ų114.159%0.58557%0.566SS**Hα-helixtrans-68.7-40.6176.2-68.2166.2000110.6V125 K126 E127 R133V125-I129 HydrophobicContact CG1-CD1 3.87Å; V125-I129 WeakPolarHBondContact O-CD1 2.89Å; V125-I129 VanDerWaalsContact O-CG1 3.24Å; V125-I129 WeakPolarHBondContact O-CG1 3.21Å; V125-I129 PolarHBondContact O-N 3.24Å; K126-I129 PolarHBondContact O-N 2.97Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.42Å; I129-R133 WeakPolarHBondContact O-CB 3.38Å; I129-R133 PolarHBondContact O-N 2.81Å
130E83.5Confident73.4Confident91 Ų91117.9 Ų117.943%0.42558%0.577SS.*Hα-helixtrans-71.2-38.5179.5-163.5174.9164.300112.4K126 E127 R133 R134K126-E130 WeakPolarHBondContact O-CB 3.38Å; K126-E130 PolarHBondContact O-N 3.39Å; E127-E130 PolarHBondContact O-N 3.32Å; E130-R133 WeakPolarHBondContact O-CB 3.4Å; E130-R133 PolarHBondContact O-N 3.07Å; E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.83Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NE 3.75Å; E130-R134 IonicContact OE1-NH2 2.74Å; E130-R134 PolarHBondContact OE1-NH2 3.26Å
131D74.4Confident72.4Confident94 Ų94118.5 Ų118.550%0.50358%0.577SS.*Hα-helixtrans-70.2-37.4176.3-154.942.5000111.3E127 R133 R134 Q135E127-D131 VanDerWaalsContact O-CB 3.25Å; E127-D131 WeakPolarHBondContact O-CB 3.11Å; E127-D131 PolarHBondContact O-N 3.31Å; D131-R133 VanDerWaalsContact C-N 3.32Å; D131-R133 PolarHBondContact O-N 3.17Å; D131-R134 PolarHBondContact O-N 2.91Å; D131-Q135 WeakPolarHBondContact O-CB 3.35Å; D131-Q135 WeakPolarHBondContact O-CG 3.49Å; D131-Q135 PolarHBondContact O-N 2.81Å
132S74.3Confident71.5Confident61 Ų61113.2 Ų113.243%0.42756%0.56SS.*Hα-helixtrans-61.7-39.7169.6-178.90000111.9L128 Q135 L136L128-S132 WeakPolarHBondContact O-CB 3.34Å; L128-S132 PolarHBondContact O-N 2.82Å; S132-Q135 PolarHBondContact O-N 2.81Å; S132-L136 WeakPolarHBondContact O-CB 3.26Å; S132-L136 PolarHBondContact O-N 3.33Å
133R80.6Confident69.7Low168 Ų168115.7 Ų115.763%0.63457%0.573SS**Hα-helixtrans-67.6-41.3176-170.3178178.8163.14.6112I129 E130 D131 L136 E137I129-R133 WeakPolarHBondContact O-CB 3.38Å; I129-R133 PolarHBondContact O-N 2.81Å; E130-R133 WeakPolarHBondContact O-CB 3.4Å; E130-R133 PolarHBondContact O-N 3.07Å; D131-R133 VanDerWaalsContact C-N 3.32Å; D131-R133 PolarHBondContact O-N 3.17Å; R133-L136 WeakPolarHBondContact O-CB 3.42Å; R133-L136 PolarHBondContact O-N 3.24Å; R133-E137 IonicContact NE-OE1 3.08Å; R133-E137 PolarHBondContact NE-OE1 3.37Å; R133-E137 WeakPolarHBondContact O-CB 3.22Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.32Å
134R75.6Confident67.9Low134 Ų134115.6 Ų115.651%0.50657%0.573SS.*Hα-helixtrans-66.1-38174.5-72.8176.9-171.2174.95.7112.2E130 D131 E137 L138E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.83Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NE 3.75Å; E130-R134 IonicContact OE1-NH2 2.74Å; E130-R134 PolarHBondContact OE1-NH2 3.26Å; D131-R134 PolarHBondContact O-N 2.91Å; R134-E137 PolarHBondContact O-N 3.1Å; R134-L138 VanDerWaalsContact O-CB 3.31Å; R134-L138 WeakPolarHBondContact O-CB 3.36Å; R134-L138 WeakPolarHBondContact O-CD1 3.42Å; R134-L138 VanDerWaalsContact O-CG 3.31Å; R134-L138 WeakPolarHBondContact O-CG 3.28Å; R134-L138 PolarHBondContact O-N 3.29Å
135Q65.8Low66Low114 Ų114117.9 Ų117.953%0.53359%0.586SS.*Hα-helixtrans-63.7-42.6171.9-82.1-172.4-43.300111.7D131 S132 L138 W139D131-Q135 WeakPolarHBondContact O-CB 3.35Å; D131-Q135 WeakPolarHBondContact O-CG 3.49Å; D131-Q135 PolarHBondContact O-N 2.81Å; S132-Q135 PolarHBondContact O-N 2.81Å; Q135-L138 PolarHBondContact O-N 2.96Å; Q135-W139 WeakPolarHBondContact O-CB 3.41Å; Q135-W139 PolarHBondContact O-N 3.4Å
136L64.8Low64.2Low111 Ų111121.2 Ų121.258%0.58160%0.596SS**Hα-helixtrans-61.4-44.4174-107.9154.5000111.6S132 R133 L138 W139 E140S132-L136 WeakPolarHBondContact O-CB 3.26Å; S132-L136 PolarHBondContact O-N 3.33Å; R133-L136 WeakPolarHBondContact O-CB 3.42Å; R133-L136 PolarHBondContact O-N 3.24Å; L136-L138 PolarHBondContact O-N 3.46Å; L136-W139 PolarHBondContact O-N 3.41Å; L136-E140 VanDerWaalsContact O-CB 3.28Å; L136-E140 WeakPolarHBondContact O-CB 3.35Å; L136-E140 PolarHBondContact O-N 2.97Å
137E66.8Low62.3Low86 Ų86116 Ų11640%0.40259%0.585SS.*Hα-helixtrans-67.5-32.3176.3-74172.5-169.800112.3R133 R134 N141R133-E137 IonicContact NE-OE1 3.08Å; R133-E137 PolarHBondContact NE-OE1 3.37Å; R133-E137 WeakPolarHBondContact O-CB 3.22Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.32Å; R134-E137 PolarHBondContact O-N 3.1Å; E137-N141 WeakPolarHBondContact O-CA 3.3Å; E137-N141 WeakPolarHBondContact O-CB 3.29Å; E137-N141 PolarHBondContact O-N 3.32Å; E137-N141 PolarHBondContact O-ND2 3Å
138L63.3Low60.3Low124 Ų124113 Ų11365%0.64958%0.579SS**Hα-helixtrans-73.3-33.1172.2-80.6159.5000112.6R134 Q135 L136 G142R134-L138 VanDerWaalsContact O-CB 3.31Å; R134-L138 WeakPolarHBondContact O-CB 3.36Å; R134-L138 WeakPolarHBondContact O-CD1 3.42Å; R134-L138 VanDerWaalsContact O-CG 3.31Å; R134-L138 WeakPolarHBondContact O-CG 3.28Å; R134-L138 PolarHBondContact O-N 3.29Å; Q135-L138 PolarHBondContact O-N 2.96Å; L136-L138 PolarHBondContact O-N 3.46Å; L138-G142 WeakPolarHBondContact O-CA 3.32Å; L138-G142 PolarHBondContact O-N 3.42Å
139W54.2Low58.9Low229 Ų229114 Ų11487%0.86759%0.585SS**Hα-helixtrans-71.5-32.9171.8-8862000112.1Q135 L136Q135-W139 WeakPolarHBondContact O-CB 3.41Å; Q135-W139 PolarHBondContact O-N 3.4Å; L136-W139 PolarHBondContact O-N 3.41Å
140E51.8Low57.1Low133 Ų133115.6 Ų115.662%0.62159%0.594SS**Hα-helixtrans-83.6-35.1179.3-166.1166.7-153.600112.5L136L136-E140 VanDerWaalsContact O-CB 3.28Å; L136-E140 WeakPolarHBondContact O-CB 3.35Å; L136-E140 PolarHBondContact O-N 2.97Å
141N51.9Low55.3Low127 Ų127116.8 Ų116.868%0.67960%0.603SS**Hα-helixtrans-105.10.8-178.2-59.4-62.2000115E137E137-N141 WeakPolarHBondContact O-CA 3.3Å; E137-N141 WeakPolarHBondContact O-CB 3.29Å; E137-N141 PolarHBondContact O-N 3.32Å; E137-N141 PolarHBondContact O-ND2 3Å
142G48.2Very low54.2Low27 Ų27118 Ų11828%0.27862%0.619SS.*SBendtrans-58.1157.4166.800000110.6L138 Q144L138-G142 WeakPolarHBondContact O-CA 3.32Å; L138-G142 PolarHBondContact O-N 3.42Å; G142-Q144 PolarHBondContact O-N 3.07Å
143P40.8Very low53Low134 Ų134118.9 Ų118.987%0.8762%0.618SS**  trans-53.4107.6-17422.9-31.9000108.2S145P143-S145 PolarHBondContact O-N 3.47Å
144Q40.4Very low51.9Low140 Ų140114.5 Ų114.565%0.65461%0.611SS**  trans-58.4108.5-174.3-72.1-164-40.900106.8G142 E146G142-Q144 PolarHBondContact O-N 3.07Å; Q144-E146 HydrophobicContact CB-CG 4.19Å; Q144-E146 PolarHBondContact O-N 2.96Å
145S36.8Very low51.1Low90 Ų90114.2 Ų114.263%0.62962%0.619SS**  trans-69.582.1155.348.60000106P143 G147 S148P143-S145 PolarHBondContact O-N 3.47Å; S145-G147 PolarHBondContact O-N 2.89Å; S145-S148 PolarHBondContact O-N 3.23Å
146E43.9Very low50.8Low155 Ų155116.2 Ų116.272%0.72463%0.633SS**THydrogen-bonded Turntrans-57.340.7152.2-77.2-79176.300110.3Q144Q144-E146 HydrophobicContact CB-CG 4.19Å; Q144-E146 PolarHBondContact O-N 2.96Å
147G44.2Very low50.6Low40 Ų40117.1 Ų117.141%0.41264%0.635SS.*THydrogen-bonded Turntrans-149.55.7-167.300000112.3S145 L149S145-G147 PolarHBondContact O-N 2.89Å; G147-L149 PolarHBondContact O-N 2.94Å
148S41.3Very low50.4Low76 Ų76117 Ų11753%0.53164%0.635SS.*THydrogen-bonded Turntrans-85.714.1167.255.20000113.2S145 N150S145-S148 PolarHBondContact O-N 3.23Å; S148-N150 VanDerWaalsContact C-N 3.27Å
149L50.5Low50.4Low147 Ų147113.7 Ų113.777%0.7762%0.618SS**THydrogen-bonded Turntrans-82.5-3.6165.7-65.8173.8000112.9G147G147-L149 PolarHBondContact O-N 2.94Å
150N46.2Very low51.1Low146 Ų146108.8 Ų108.878%0.78160%0.603SS**  trans-120.117.6-178.7-62.3-47.5000114.1S148 S152S148-N150 VanDerWaalsContact C-N 3.27Å; N150-S152 PolarHBondContact O-N 3.5Å
151L46.3Very low52Low116 Ų116104.3 Ų104.361%0.60758%0.584SS**SBendtrans-81.7113.2156.1-85140.7000105.7I153L151-I153 HydrophobicContact CB-CD1 4.19Å; L151-I153 HydrophobicContact CB-CG1 4.16Å; L151-I153 PolarHBondContact O-N 3.07Å
152S49.7Very low53Low121 Ų121101.2 Ų101.285%0.84657%0.571SS**  trans-65.153.4174.261.50000111.4N150 P154N150-S152 PolarHBondContact O-N 3.5Å; S152-P154 VanDerWaalsContact O-CD 3.31Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å
153I49.3Very low53.8Low79 Ų79105.8 Ų105.841%0.40559%0.589SS.*  trans-75.8115.3167.1-62.1168.9000103.8L151 L155 M157 Q158L151-I153 HydrophobicContact CB-CD1 4.19Å; L151-I153 HydrophobicContact CB-CG1 4.16Å; L151-I153 PolarHBondContact O-N 3.07Å; I153-L155 PolarHBondContact O-N 3.09Å; I153-M157 HydrophobicContact CG2-CB 3.59Å; I153-Q158 HydrophobicContact CB-CG 4.26Å; I153-Q158 HydrophobicContact CG2-CG 3.75Å
154P58.4Low54.9Low76 Ų76101.1 Ų101.149%0.49457%0.565SS.*  trans-49.6135.9175.9-2533.7000109.4S152 L156 M157S152-P154 VanDerWaalsContact O-CD 3.31Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å; P154-L156 PolarHBondContact O-N 3.41Å; P154-M157 HydrophobicContact CB-CG 4.46Å; P154-M157 HydrophobicContact CG-CG 4.49Å; P154-M157 HydrophobicContact CG-SD 4.14Å; P154-M157 WeakPolarHBondContact O-CB 3.3Å; P154-M157 PolarHBondContact O-N 3.47Å
155L58.8Low55.9Low127 Ų12796.6 Ų96.667%0.66554%0.544SS*.Hα-helixtrans-48.6-31.8179.4-80.9160.5000112.6I153 M157 Q158I153-L155 PolarHBondContact O-N 3.09Å; L155-M157 VanDerWaalsContact C-N 3.28Å; L155-M157 PolarHBondContact O-N 3.45Å; L155-Q158 PolarHBondContact O-N 3.18Å
156L58.8Low57.1Low156 Ų15696.3 Ų96.382%0.81753%0.533SS*.Hα-helixtrans-60.1-31.6174.2-94.482.3000114.1P154P154-L156 PolarHBondContact O-N 3.41Å
157M60.5Low57.9Low130 Ų13093.2 Ų93.264%0.6452%0.521SS*.Hα-helixtrans-83.9-23.3-178.9-67.6-175.571.600112.9I153 P154 L155 N159I153-M157 HydrophobicContact CG2-CB 3.59Å; P154-M157 HydrophobicContact CB-CG 4.46Å; P154-M157 HydrophobicContact CG-CG 4.49Å; P154-M157 HydrophobicContact CG-SD 4.14Å; P154-M157 WeakPolarHBondContact O-CB 3.3Å; P154-M157 PolarHBondContact O-N 3.47Å; L155-M157 VanDerWaalsContact C-N 3.28Å; L155-M157 PolarHBondContact O-N 3.45Å; M157-N159 VanDerWaalsContact C-N 3.35Å
158Q62.5Low58.7Low83 Ų8395.7 Ų95.739%0.38855%0.547SS..Hα-helixtrans-71.9-28.4-178.9-67.2-177.3-8.500113I153 L155I153-Q158 HydrophobicContact CB-CG 4.26Å; I153-Q158 HydrophobicContact CG2-CG 3.75Å; L155-Q158 PolarHBondContact O-N 3.18Å
159N63.5Low59.9Low55 Ų5599 Ų9929%0.29456%0.558SS.*THydrogen-bonded Turntrans-11725.6-178.1-70.7-34.5000112.8M157 V161M157-N159 VanDerWaalsContact C-N 3.35Å; N159-V161 PolarHBondContact O-N 3.01Å
160K68.9Low60.5Low126 Ų12697.8 Ų97.855%0.54855%0.548SS..PPolyproline II helixtrans-61.3132.9178-167.2-163.1176.2-162.30110.3W97 D163W97-K160 WeakPolarHBondContact CZ2-O 3.45Å; K160-D163 IonicContact NZ-OD1 2.7Å; K160-D163 PolarHBondContact NZ-OD1 3Å
161V70.5Confident61.4Low39 Ų3995.4 Ų95.424%0.23654%0.539CS..PPolyproline II helixtrans-56.3137.3170.7-177.10000109.1N159 F165 L175N159-V161 PolarHBondContact O-N 3.01Å; V161-F165 HydrophobicContact CG1-CB 3.61Å; V161-F165 HydrophobicContact CG1-CG 4.22Å; V161-L175 HydrophobicContact CG1-CB 4.43Å; V161-L175 HydrophobicContact CG1-CD1 3.8Å
162P74.4Confident62.4Low63 Ų6394.8 Ų94.841%0.40953%0.531SS..PPolyproline II helixtrans-51.4143.1176.9-28.634.6000112.4W97W97-P162 HydrophobicContact CD2-CG 4.11Å; W97-P162 HydrophobicContact CG-CG 4.24Å
163D64.1Low63.3Low122 Ų12292.9 Ų92.965%0.65251%0.514SS*.THydrogen-bonded Turntrans-57.5139.5177.7-62.2-32.6000110.1K160K160-D163 IonicContact NZ-OD1 2.7Å; K160-D163 PolarHBondContact NZ-OD1 3Å
164G63.2Low64.4Low36 Ų3694.8 Ų94.837%0.37153%0.525SS..THydrogen-bonded Turntrans99.6-2.7-175.100000116.7D167G164-D167 WeakPolarHBondContact CA-OD2 3.47Å; G164-D167 PolarHBondContact N-OD2 3.39Å
165F61.7Low65Low46 Ų4693.1 Ų93.120%0.20251%0.512CS..SBendtrans-100.1-29.8174.9-119.6-101.3000113.3V161 K172 D174 L175V161-F165 HydrophobicContact CG1-CB 3.61Å; V161-F165 HydrophobicContact CG1-CG 4.22Å; F165-K172 HydrophobicContact CD1-CB 3.56Å; F165-K172 WeakPolarHBondContact CD1-O 3.46Å; F165-K172 HydrophobicContact CD2-CB 4.46Å; F165-K172 HydrophobicContact CD2-CD 4.5Å; F165-K172 HydrophobicContact CE1-CB 3.47Å; F165-K172 VanDerWaalsContact CE1-CB 3.47Å; F165-K172 WeakPolarHBondContact CE1-O 3.31Å; F165-K172 HydrophobicContact CE2-CB 4.43Å; F165-K172 HydrophobicContact CE2-CD 4.37Å; F165-K172 HydrophobicContact CG-CB 4.04Å; F165-K172 HydrophobicContact CZ-CB 3.94Å; F165-K172 HydrophobicContact CZ-CD 4.49Å; F165-K172 PolarHBondContact O-N 3.18Å; F165-D174 HydrophobicContact CE1-CB 3.93Å; F165-D174 HydrophobicContact CZ-CB 4.04Å; F165-L175 HydrophobicContact CB-CD1 4.34Å; F165-L175 HydrophobicContact CD1-CB 3.88Å; F165-L175 HydrophobicContact CD1-CD1 3.55Å; F165-L175 HydrophobicContact CD1-CG 3.72Å; F165-L175 HydrophobicContact CD2-CD1 3.59Å; F165-L175 HydrophobicContact CD2-CG 4.36Å; F165-L175 HydrophobicContact CE1-CB 3.81Å; F165-L175 HydrophobicContact CE1-CD1 3.69Å; F165-L175 HydrophobicContact CE1-CG 3.41Å; F165-L175 VanDerWaalsContact CE1-CG 3.41Å; F165-L175 HydrophobicContact CE2-CD1 3.68Å; F165-L175 HydrophobicContact CE2-CG 4.06Å; F165-L175 HydrophobicContact CG-CD1 3.54Å; F165-L175 HydrophobicContact CG-CG 4.22Å; F165-L175 HydrophobicContact CZ-CB 4.48Å; F165-L175 HydrophobicContact CZ-CD1 3.76Å; F165-L175 HydrophobicContact CZ-CG 3.6Å
166E62.7Low65.6Low84 Ų8493.4 Ų93.439%0.39350%0.504SS..EExtended strand (participates in β ladder)trans-142.343.1-177.8-58.6-167.6153.400111.9R176E166-R176 IonicContact OE1-CZ 3.66Å; E166-R176 IonicContact OE1-NE 3.58Å; E166-R176 PolarHBondContact OE1-NE 3.33Å; E166-R176 IonicContact OE1-NH2 2.75Å; E166-R176 PolarHBondContact OE1-NH2 3.15Å; E166-R176 IonicContact OE2-NH2 3.14Å
167D59.5Low66.3Low90 Ų9091.7 Ų91.748%0.48150%0.503SS..EExtended strand (participates in β ladder)trans-79.9131.4164.3-60.1-48.1000106.4G164 D169 H170G164-D167 WeakPolarHBondContact CA-OD2 3.47Å; G164-D167 PolarHBondContact N-OD2 3.39Å; D167-D169 PolarHBondContact O-N 3.49Å; D167-H170 PolarHBondContact O-N 2.96Å
168G61.1Low67.3Low92 Ų9294.6 Ų94.695%0.94852%0.515SS*.THydrogen-bonded Turntrans-53.62.4-163.300000119
169D68.2Low68Low145 Ų14595.9 Ų95.978%0.77553%0.533SS*.THydrogen-bonded Turntrans-101.4-24.7174.2-152.536000113.1D167D167-D169 PolarHBondContact O-N 3.49Å
170H61.6Low68.9Low121 Ų12196.9 Ų96.956%0.5654%0.544SS*.EExtended strand (participates in β ladder)trans-138.1108.2-179.9-6678.8000111.3D167D167-H170 PolarHBondContact O-N 2.96Å
171V66.3Low69.7Low96 Ų9695 Ų9558%0.58254%0.543SS*.EExtended strand (participates in β ladder)trans-97.298.8176.9-174.60000109.5V173V171-V173 HydrophobicContact CG1-CG2 4.04Å
172K66.6Low70.3Confident104 Ų104101 Ų10145%0.45257%0.568SS.*  trans-93.2117.6171-67.3176-177.1167.40108.1F165F165-K172 HydrophobicContact CD1-CB 3.56Å; F165-K172 WeakPolarHBondContact CD1-O 3.46Å; F165-K172 HydrophobicContact CD2-CB 4.46Å; F165-K172 HydrophobicContact CD2-CD 4.5Å; F165-K172 HydrophobicContact CE1-CB 3.47Å; F165-K172 VanDerWaalsContact CE1-CB 3.47Å; F165-K172 WeakPolarHBondContact CE1-O 3.31Å; F165-K172 HydrophobicContact CE2-CB 4.43Å; F165-K172 HydrophobicContact CE2-CD 4.37Å; F165-K172 HydrophobicContact CG-CB 4.04Å; F165-K172 HydrophobicContact CZ-CB 3.94Å; F165-K172 HydrophobicContact CZ-CD 4.49Å; F165-K172 PolarHBondContact O-N 3.18Å
173V68.1Low70.7Confident80 Ų80100.9 Ų100.949%0.48557%0.573SS.*  trans-91.9-6.3-170.6-164.70000112.2V171 L175 R176V171-V173 HydrophobicContact CG1-CG2 4.04Å; V173-L175 PolarHBondContact O-N 3.4Å; V173-R176 HydrophobicContact CG1-CB 4.2Å; V173-R176 HydrophobicContact CG1-CG 4.17Å; V173-R176 WeakPolarHBondContact O-CB 3.42Å; V173-R176 PolarHBondContact O-N 3.04Å
174D73.7Confident71.6Confident119 Ų11999 Ų9964%0.63656%0.563SS**THydrogen-bonded Turntrans-61.1-19-169.8-46.2-37.2000115.3F165F165-D174 HydrophobicContact CE1-CB 3.93Å; F165-D174 HydrophobicContact CZ-CB 4.04Å
175L70.8Confident72.5Confident41 Ų41104.9 Ų104.922%0.21558%0.575CS.*THydrogen-bonded Turntrans-95.9-7.8178.7-71.1177.4000113.4W97 V161 F165 V173W97-L175 HydrophobicContact CB-CD2 4Å; V161-L175 HydrophobicContact CG1-CB 4.43Å; V161-L175 HydrophobicContact CG1-CD1 3.8Å; F165-L175 HydrophobicContact CB-CD1 4.34Å; F165-L175 HydrophobicContact CD1-CB 3.88Å; F165-L175 HydrophobicContact CD1-CD1 3.55Å; F165-L175 HydrophobicContact CD1-CG 3.72Å; F165-L175 HydrophobicContact CD2-CD1 3.59Å; F165-L175 HydrophobicContact CD2-CG 4.36Å; F165-L175 HydrophobicContact CE1-CB 3.81Å; F165-L175 HydrophobicContact CE1-CD1 3.69Å; F165-L175 HydrophobicContact CE1-CG 3.41Å; F165-L175 VanDerWaalsContact CE1-CG 3.41Å; F165-L175 HydrophobicContact CE2-CD1 3.68Å; F165-L175 HydrophobicContact CE2-CG 4.06Å; F165-L175 HydrophobicContact CG-CD1 3.54Å; F165-L175 HydrophobicContact CG-CG 4.22Å; F165-L175 HydrophobicContact CZ-CB 4.48Å; F165-L175 HydrophobicContact CZ-CD1 3.76Å; F165-L175 HydrophobicContact CZ-CG 3.6Å; V173-L175 PolarHBondContact O-N 3.4Å
176R70.1Confident73.5Confident134 Ų134110.7 Ų110.751%0.50660%0.603SS.*SBendtrans-77143.6177.2-64.7-164.8-174.6173.1-4.3110.1E166 V173E166-R176 IonicContact OE1-CZ 3.66Å; E166-R176 IonicContact OE1-NE 3.58Å; E166-R176 PolarHBondContact OE1-NE 3.33Å; E166-R176 IonicContact OE1-NH2 2.75Å; E166-R176 PolarHBondContact OE1-NH2 3.15Å; E166-R176 IonicContact OE2-NH2 3.14Å; V173-R176 HydrophobicContact CG1-CB 4.2Å; V173-R176 HydrophobicContact CG1-CG 4.17Å; V173-R176 WeakPolarHBondContact O-CB 3.42Å; V173-R176 PolarHBondContact O-N 3.04Å
177P75.1Confident74.6Confident120 Ų120110.6 Ų110.678%0.77961%0.611SS**PPolyproline II helixtrans-56.8149.5166-22.233.3000111.4
178E79.9Confident75.8Confident191 Ų191108.4 Ų108.489%0.89360%0.601SS**PPolyproline II helixtrans-59.3144.4172.3-65.9178177.500110.6
179S77.4Confident77Confident110 Ų110107.8 Ų107.877%0.76958%0.581SS**PPolyproline II helixtrans-67.8134.2178.254.20000111
180S82.1Confident77.8Confident75 Ų75107 Ų10752%0.52458%0.58SS.*PPolyproline II helixtrans-65.8139.1177.8-520000112.3
181T86.9Confident79.1Confident87 Ų87109 Ų10953%0.53459%0.59SS.*PPolyproline II helixtrans-94.4158.1176.3-53.70000110.7A183 D184 Y185T181-A183 PolarHBondContact O-N 3.37Å; T181-D184 PolarHBondContact N-OD2 2.87Å; T181-D184 WeakPolarHBondContact O-CB 3.36Å; T181-D184 PolarHBondContact O-N 3.05Å; T181-Y185 WeakPolarHBondContact O-CD2 3.41Å; T181-Y185 PolarHBondContact O-N 2.85Å
182E82.4Confident80Confident164 Ų164106 Ų10677%0.76658%0.575SS**Hα-helixtrans-53.2-37.8176.8-67177.8177.200113.1D184 Y185 E186E182-D184 VanDerWaalsContact C-N 3.27Å; E182-D184 PolarHBondContact O-N 3.28Å; E182-Y185 PolarHBondContact O-N 3.06Å; E182-E186 PolarHBondContact O-N 3.46Å; E182-E186 VanDerWaalsContact O-N 3.15Å
183A83.3Confident81Confident61 Ų61106.6 Ų106.650%0.50458%0.575SS.*Hα-helixtrans-62.7-30.2175.600000113.5T181 E186 S187T181-A183 PolarHBondContact O-N 3.37Å; A183-E186 PolarHBondContact O-N 3.07Å; A183-S187 PolarHBondContact O-N 3.09Å; A183-S187 VanDerWaalsContact O-N 3.09Å
184D83.3Confident82Confident82 Ų82104.2 Ų104.244%0.43957%0.567SS.*Hα-helixtrans-70.8-38.1178.2-58.4-37.4000110.5T181 E182 S187 V188T181-D184 PolarHBondContact N-OD2 2.87Å; T181-D184 WeakPolarHBondContact O-CB 3.36Å; T181-D184 PolarHBondContact O-N 3.05Å; E182-D184 VanDerWaalsContact C-N 3.27Å; E182-D184 PolarHBondContact O-N 3.28Å; D184-S187 PolarHBondContact O-N 2.96Å; D184-S187 PolarHBondContact O-OG 3.21Å; D184-V188 PolarHBondContact O-N 2.97Å
185Y81.8Confident82.6Confident161 Ų161102.3 Ų102.363%0.63156%0.557SS**Hα-helixtrans-68.1-35.3175.5-69.2-72.4000112.7T181 E182 S187 V188T181-Y185 WeakPolarHBondContact O-CD2 3.41Å; T181-Y185 PolarHBondContact O-N 2.85Å; E182-Y185 PolarHBondContact O-N 3.06Å; Y185-S187 VanDerWaalsContact C-N 3.34Å; Y185-V188 CarbonylContact O-C 3.15Å
186E83.6Confident83.4Confident167 Ų167100.5 Ų100.578%0.7855%0.547SS*.Hα-helixtrans-68.3-35.3173.9-69.8-174.7173.400112E182 A183E182-E186 PolarHBondContact O-N 3.46Å; E182-E186 VanDerWaalsContact O-N 3.15Å; A183-E186 PolarHBondContact O-N 3.07Å
187S84.9Confident84.2Confident82 Ų8297.3 Ų97.357%0.57354%0.539SS*.Hα-helixtrans-71.6-29.3-179.277.70000113.8A183 D184 Y185A183-S187 PolarHBondContact O-N 3.09Å; A183-S187 VanDerWaalsContact O-N 3.09Å; D184-S187 PolarHBondContact O-N 2.96Å; D184-S187 PolarHBondContact O-OG 3.21Å; Y185-S187 VanDerWaalsContact C-N 3.34Å
188V85.4Confident84.8Confident44 Ų4495.4 Ų95.427%0.26752%0.522SS..SBendtrans-124.696.8-179.1-173.30000110.5L87 D184 Y185 A192L87-V188 HydrophobicContact CD1-CG1 3.9Å; L87-V188 HydrophobicContact CD1-CG2 4.22Å; D184-V188 PolarHBondContact O-N 2.97Å; Y185-V188 CarbonylContact O-C 3.15Å; V188-A192 HydrophobicContact CG1-CB 4.48Å
189P85.8Confident85.1Confident80 Ų8089.4 Ų89.452%0.51949%0.492SS..  trans-55.3145.5171.3-24.833.8000111.7E191 A192 Y193P189-E191 PolarHBondContact O-N 3.35Å; P189-E191 VanDerWaalsContact O-N 3.15Å; P189-A192 HydrophobicContact CB-CB 4.44Å; P189-A192 WeakPolarHBondContact O-CA 3.14Å; P189-A192 WeakPolarHBondContact O-CB 3.3Å; P189-A192 PolarHBondContact O-N 3.3Å; P189-Y193 PolarHBondContact O-N 3.34Å
190V85Confident85.4Confident127 Ų12785 Ų8577%0.7747%0.465SS*.Hα-helixtrans-54.5-38.7-176.7-179.30000112.4Y193 G194V190-Y193 PolarHBondContact O-N 2.73Å; V190-G194 PolarHBondContact O-N 2.62Å
191E87.8Confident85.4Confident165 Ų16586.8 Ų86.877%0.77147%0.466SS*.Hα-helixtrans-63.9-41.9176.6-62.2-176.9176.400112.2P189 G194 L195P189-E191 PolarHBondContact O-N 3.35Å; P189-E191 VanDerWaalsContact O-N 3.15Å; E191-G194 PolarHBondContact O-N 3.38Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.17Å
192A86.9Confident85Confident32 Ų3285.4 Ų85.426%0.26447%0.469SS..Hα-helixtrans-67.9-38.2178.200000111.5L87 V188 P189 L195 A196L87-A192 HydrophobicContact CD1-CB 4.34Å; V188-A192 HydrophobicContact CG1-CB 4.48Å; P189-A192 HydrophobicContact CB-CB 4.44Å; P189-A192 WeakPolarHBondContact O-CA 3.14Å; P189-A192 WeakPolarHBondContact O-CB 3.3Å; P189-A192 PolarHBondContact O-N 3.3Å; A192-L195 PolarHBondContact O-N 3.41Å; A192-A196 WeakPolarHBondContact O-CB 3.35Å; A192-A196 PolarHBondContact O-N 3.07Å
193Y87.5Confident85Confident117 Ų11781.1 Ų81.146%0.45945%0.446SS..Hα-helixtrans-61.2-48173.2178.4-98.7000112I89 P189 V190 L195 A196 M197I89-Y193 HydrophobicContact CD1-CD2 3.64Å; I89-Y193 HydrophobicContact CD1-CE2 3.4Å; I89-Y193 VanDerWaalsContact CD1-CE2 3.4Å; P189-Y193 PolarHBondContact O-N 3.34Å; V190-Y193 PolarHBondContact O-N 2.73Å; Y193-L195 VanDerWaalsContact C-N 3.35Å; Y193-L195 PolarHBondContact O-N 3.38Å; Y193-A196 WeakPolarHBondContact O-CB 3.37Å; Y193-A196 PolarHBondContact O-N 2.86Å; Y193-A196 VanDerWaalsContact O-N 3.15Å; Y193-M197 HydrophobicContact CD1-CE 4.49Å; Y193-M197 HydrophobicContact CE1-CE 3.53Å; Y193-M197 PolarHBondContact O-N 2.99Å
194G87.6Confident84.9Confident30 Ų3084.1 Ų84.131%0.30945%0.447SS..Hα-helixtrans-60.5-43.8177.500000112.3V190 E191 A196 M197 L198V190-G194 PolarHBondContact O-N 2.62Å; E191-G194 PolarHBondContact O-N 3.38Å; G194-A196 VanDerWaalsContact C-N 3.33Å; G194-A196 PolarHBondContact O-N 3.45Å; G194-M197 PolarHBondContact O-N 3.11Å; G194-L198 WeakPolarHBondContact O-CG 3.14Å; G194-L198 PolarHBondContact O-N 3.44Å
195L86.9Confident84.7Confident79 Ų7988.2 Ų88.241%0.41446%0.461SS..Hα-helixtrans-63.3-38.1174.5-70.3172.9000112.2E191 A192 Y193 L198 K199 W203E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.17Å; A192-L195 PolarHBondContact O-N 3.41Å; Y193-L195 VanDerWaalsContact C-N 3.35Å; Y193-L195 PolarHBondContact O-N 3.38Å; L195-L198 PolarHBondContact O-N 2.66Å; L195-K199 WeakPolarHBondContact O-CB 3.35Å; L195-K199 VanDerWaalsContact O-CG 3.24Å; L195-K199 WeakPolarHBondContact O-CG 3.21Å; L195-K199 PolarHBondContact O-N 3.17Å; L195-W203 HydrophobicContact CD2-CH2 4.22Å; L195-W203 HydrophobicContact CD2-CZ3 3.86Å
196A87.6Confident84.3Confident2 Ų288.9 Ų88.92%0.01747%0.47CS..Hα-helixtrans-65.7-38.7177.900000112.7L87 I89 A192 Y193 G194 G200L87-A196 HydrophobicContact CB-CB 3.57Å; L87-A196 VanDerWaalsContact O-CA 3.22Å; L87-A196 WeakPolarHBondContact O-CA 3.48Å; L87-A196 WeakPolarHBondContact O-CB 3.35Å; I89-A196 HydrophobicContact CD1-CB 3.99Å; I89-A196 HydrophobicContact CG1-CB 3.95Å; I89-A196 PolarHBondContact N-O 3.2Å; A192-A196 WeakPolarHBondContact O-CB 3.35Å; A192-A196 PolarHBondContact O-N 3.07Å; Y193-A196 WeakPolarHBondContact O-CB 3.37Å; Y193-A196 PolarHBondContact O-N 2.86Å; Y193-A196 VanDerWaalsContact O-N 3.15Å; G194-A196 VanDerWaalsContact C-N 3.33Å; G194-A196 PolarHBondContact O-N 3.45Å; A196-G200 PolarHBondContact O-N 3.17Å
197M87.4Confident84Confident68 Ų6883.8 Ų83.834%0.33545%0.446SS..Hα-helixtrans-65.1-48.1173.7-174.5-176.3-62.300111.3Y193 G194 K199 G200 M201Y193-M197 HydrophobicContact CD1-CE 4.49Å; Y193-M197 HydrophobicContact CE1-CE 3.53Å; Y193-M197 PolarHBondContact O-N 2.99Å; G194-M197 PolarHBondContact O-N 3.11Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 3.42Å; M197-G200 PolarHBondContact O-N 2.96Å; M197-G200 VanDerWaalsContact O-N 3.14Å; M197-M201 HydrophobicContact CG-CE 3.8Å; M197-M201 HydrophobicContact CG-SD 4.46Å; M197-M201 WeakPolarHBondContact O-CG 3.48Å; M197-M201 PolarHBondContact O-N 3.17Å; M197-M201 HydrophobicContact SD-CE 4.02Å
198L86.4Confident83.3Confident79 Ų7980.5 Ų80.541%0.41443%0.426SS..Hα-helixtrans-59.9-44.5177.2-70172.8000111.2G194 L195 G200 M201 G202 W203G194-L198 WeakPolarHBondContact O-CG 3.14Å; G194-L198 PolarHBondContact O-N 3.44Å; L195-L198 PolarHBondContact O-N 2.66Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.26Å; L198-M201 CarbonylContact O-C 3.54Å; L198-M201 WeakPolarHBondContact O-CB 3.22Å; L198-M201 PolarHBondContact O-N 3.45Å; L198-M201 VanDerWaalsContact O-N 3.11Å; L198-G202 PolarHBondContact O-N 2.89Å; L198-W203 HydrophobicContact CB-CB 3.92Å; L198-W203 HydrophobicContact CB-CD2 4.32Å; L198-W203 HydrophobicContact CB-CE3 4.18Å; L198-W203 HydrophobicContact CB-CG 4.24Å; L198-W203 WeakPolarHBondContact O-CB 2.97Å; L198-W203 PolarHBondContact O-N 2.77Å
199K86.6Confident82.7Confident65 Ų6585.4 Ų85.428%0.28345%0.449SS..Hα-helixtrans-57.1-42.2174.8-77.4175.5-179.2178.50112.2D86 I88 L195 M197 M201 G202 W203D86-K199 IonicContact OD1-NZ 2.82Å; D86-K199 PolarHBondContact OD1-NZ 3.31Å; I88-K199 HydrophobicContact CG1-CB 4.27Å; I88-K199 HydrophobicContact CG1-CD 4.36Å; I88-K199 HydrophobicContact CG2-CB 4.46Å; L195-K199 WeakPolarHBondContact O-CB 3.35Å; L195-K199 VanDerWaalsContact O-CG 3.24Å; L195-K199 WeakPolarHBondContact O-CG 3.21Å; L195-K199 PolarHBondContact O-N 3.17Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 3.42Å; K199-M201 VanDerWaalsContact C-N 3.31Å; K199-M201 PolarHBondContact O-N 3.44Å; K199-G202 PolarHBondContact O-N 2.94Å; K199-W203 WeakPolarHBondContact CA-O 3.43Å
200G84.6Confident82Confident18 Ų1883.2 Ų83.219%0.18644%0.44CS..Hα-helixtrans-72-21.7177.300000115.2I89 A196 M197 L198 G202I89-G200 VanDerWaalsContact O-CA 3.27Å; I89-G200 WeakPolarHBondContact O-CA 3.24Å; A196-G200 PolarHBondContact O-N 3.17Å; M197-G200 PolarHBondContact O-N 2.96Å; M197-G200 VanDerWaalsContact O-N 3.14Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.26Å; G200-G202 PolarHBondContact O-N 3.43Å
201M82.3Confident81.1Confident113 Ų11389 Ų8956%0.55745%0.449SS*.THydrogen-bonded Turntrans-79.91.9167-65.1176.7177.300112.9M197 L198 K199M197-M201 HydrophobicContact CG-CE 3.8Å; M197-M201 HydrophobicContact CG-SD 4.46Å; M197-M201 WeakPolarHBondContact O-CG 3.48Å; M197-M201 PolarHBondContact O-N 3.17Å; M197-M201 HydrophobicContact SD-CE 4.02Å; L198-M201 CarbonylContact O-C 3.54Å; L198-M201 WeakPolarHBondContact O-CB 3.22Å; L198-M201 PolarHBondContact O-N 3.45Å; L198-M201 VanDerWaalsContact O-N 3.11Å; K199-M201 VanDerWaalsContact C-N 3.31Å; K199-M201 PolarHBondContact O-N 3.44Å
202G78.4Confident79.9Confident57 Ų5786.6 Ų86.659%0.58845%0.445SS*.THydrogen-bonded Turntrans93.19.3178.400000114.9L198 K199 G200L198-G202 PolarHBondContact O-N 2.89Å; K199-G202 PolarHBondContact O-N 2.94Å; G200-G202 PolarHBondContact O-N 3.43Å
203W82.5Confident78.6Confident75 Ų7593 Ų9328%0.28447%0.467SS..  trans-73.4129.3175.7-175.782.3000111.4L195 L198 K199 K205L195-W203 HydrophobicContact CD2-CH2 4.22Å; L195-W203 HydrophobicContact CD2-CZ3 3.86Å; L198-W203 HydrophobicContact CB-CB 3.92Å; L198-W203 HydrophobicContact CB-CD2 4.32Å; L198-W203 HydrophobicContact CB-CE3 4.18Å; L198-W203 HydrophobicContact CB-CG 4.24Å; L198-W203 WeakPolarHBondContact O-CB 2.97Å; L198-W203 PolarHBondContact O-N 2.77Å; K199-W203 WeakPolarHBondContact CA-O 3.43Å; W203-K205 HydrophobicContact CH2-CB 3.99Å; W203-K205 HydrophobicContact CH2-CG 4.31Å; W203-K205 HydrophobicContact CZ3-CB 4.33Å
204K81.3Confident77.8Confident123 Ų12393.5 Ų93.554%0.53547%0.472SS..BIsolated β-bridgetrans-123.4139.1170.3-59.7-177.5-161.1146.30108.9E206 E207K204-E206 PolarHBondContact O-N 3.42Å; K204-E207 HydrophobicContact CB-CB 3.97Å; K204-E207 WeakPolarHBondContact CD-OE2 3.23Å; K204-E207 IonicContact NZ-OE2 3.56Å; K204-E207 PolarHBondContact NZ-OE2 3.44Å; K204-E207 PolarHBondContact O-N 2.98Å; K204-E207 VanDerWaalsContact O-N 3.12Å; K204-E207 VanDerWaalsContact O-O 3.13Å
205K78.3Confident77Confident168 Ų16899.1 Ų99.173%0.7349%0.49SS*.THydrogen-bonded Turntrans-56.6-26.7-178-172.7176.6178.7-179.20113.8W203W203-K205 HydrophobicContact CH2-CB 3.99Å; W203-K205 HydrophobicContact CH2-CG 4.31Å; W203-K205 HydrophobicContact CZ3-CB 4.33Å
206E73.8Confident76.1Confident176 Ų17699.5 Ų99.582%0.82249%0.493SS*.THydrogen-bonded Turntrans-104-5.3-175.6-58-175.616800113.5K204K204-E206 PolarHBondContact O-N 3.42Å
207E77.1Confident75.3Confident60 Ų60104.5 Ų104.528%0.2852%0.523SS..BIsolated β-bridgetrans-114.4123.9-175.7-161.6173.6172.100109.5K204 K214K204-E207 HydrophobicContact CB-CB 3.97Å; K204-E207 WeakPolarHBondContact CD-OE2 3.23Å; K204-E207 IonicContact NZ-OE2 3.56Å; K204-E207 PolarHBondContact NZ-OE2 3.44Å; K204-E207 PolarHBondContact O-N 2.98Å; K204-E207 VanDerWaalsContact O-N 3.12Å; K204-E207 VanDerWaalsContact O-O 3.13Å; E207-K214 HydrophobicContact CG-CB 4.09Å; E207-K214 HydrophobicContact CG-CD 4.22Å; E207-K214 HydrophobicContact CG-CG 4.42Å; E207-K214 VanDerWaalsContact OE1-CD 3.25Å; E207-K214 WeakPolarHBondContact OE1-CD 3.3Å; E207-K214 VanDerWaalsContact OE1-CE 3.28Å; E207-K214 WeakPolarHBondContact OE1-CE 3.44Å; E207-K214 IonicContact OE1-NZ 3.44Å; E207-K214 PolarHBondContact OE1-NZ 3.22Å
208G71.2Confident74.7Confident13 Ų13108.9 Ų108.913%0.13454%0.54CS..  trans-64.8145.3175.400000111.7G210 K214G208-G210 PolarHBondContact O-N 2.98Å; G208-K214 PolarHBondContact N-O 2.99Å
209I72.9Confident74.3Confident146 Ų146110.8 Ų110.875%0.74956%0.557SS**SBendtrans-75.1-4.3-175.3-54.3168.2000112.2
210G70.2Confident73.9Confident34 Ų34115.3 Ų115.335%0.35158%0.582SS.*  trans-73.4136-174.800000114.1G208 T212G208-G210 PolarHBondContact O-N 2.98Å; G210-T212 VanDerWaalsContact C-N 3.29Å; G210-T212 PolarHBondContact O-N 2.9Å
211R65.1Low73.7Confident250 Ų250122.9 Ų122.994%0.94361%0.613SS**SBendtrans-59.3-36.3175-173.4177.7-179.5-1791.6113.3
212T62.6Low73.4Confident114 Ų114124.9 Ų124.970%0.69962%0.621SS**SBendtrans-109.2-27.7-174.9-36.70000112.8G210G210-T212 VanDerWaalsContact C-N 3.29Å; G210-T212 PolarHBondContact O-N 2.9Å
213F61.6Low73.2Confident165 Ų165129.4 Ų129.472%0.72463%0.627SS**  trans-131.8102.6179.8-63.3-78.9000109.8Q215F213-Q215 PolarHBondContact O-N 3.36Å
214K69.4Low72.8Confident128 Ų128132.9 Ų132.956%0.55765%0.65SS**  trans-85.230.8179.1-64.9174.9163.9-156.80112.8E207 G208E207-K214 HydrophobicContact CG-CB 4.09Å; E207-K214 HydrophobicContact CG-CD 4.22Å; E207-K214 HydrophobicContact CG-CG 4.42Å; E207-K214 VanDerWaalsContact OE1-CD 3.25Å; E207-K214 WeakPolarHBondContact OE1-CD 3.3Å; E207-K214 VanDerWaalsContact OE1-CE 3.28Å; E207-K214 WeakPolarHBondContact OE1-CE 3.44Å; E207-K214 IonicContact OE1-NZ 3.44Å; E207-K214 PolarHBondContact OE1-NZ 3.22Å; G208-K214 PolarHBondContact N-O 2.99Å
215Q71.4Confident72.4Confident148 Ų148132.7 Ų132.769%0.69265%0.646SS**  trans-81.6131.3-179.7-169.2172.38.300109.8F213 V217F213-Q215 PolarHBondContact O-N 3.36Å; Q215-V217 PolarHBondContact O-N 3.35Å
216D67.7Low72.3Confident87 Ų87127.6 Ų127.647%0.46563%0.63SS.*  trans-67.496.3168179.327.2000109K218D216-K218 PolarHBondContact O-N 3.44Å
217V69.6Low72.6Confident107 Ų107129.4 Ų129.465%0.64864%0.635SS**  trans-88.599.9175.8-177.80000107.7Q215Q215-V217 PolarHBondContact O-N 3.35Å
218K76.2Confident72.5Confident161 Ų161130.8 Ų130.870%0.767%0.666SS**  trans-57.8136.9172.2-64.9-175.4-178.4-179.60109.7D216 I220D216-K218 PolarHBondContact O-N 3.44Å; K218-I220 PolarHBondContact O-N 2.96Å
219P77.8Confident72.8Confident119 Ų119131.9 Ų131.977%0.77367%0.668SS**  trans-50.2132.8174.1-27.434.8000110.7E221P219-E221 PolarHBondContact O-N 3.47Å
220I77.4Confident73Confident159 Ų159127 Ų12782%0.81565%0.654SS**  trans-69.1101.8179.5-60.7169.5000107.4K218 H222K218-I220 PolarHBondContact O-N 2.96Å; I220-H222 PolarHBondContact O-N 2.68Å; I220-H222 VanDerWaalsContact O-N 3.08Å
221E80.8Confident73Confident178 Ų178133.6 Ų133.683%0.83268%0.681SS**  trans-65.9108.2170.3-70.3-176.817900108.9P219 Q223P219-E221 PolarHBondContact O-N 3.47Å; E221-Q223 PolarHBondContact O-N 2.91Å
222H75.6Confident73.1Confident155 Ų155125.3 Ų125.372%0.71867%0.672SS**  trans-71.698.2178.8-174.672.3000109.8I220 L224I220-H222 PolarHBondContact O-N 2.68Å; I220-H222 VanDerWaalsContact O-N 3.08Å; H222-L224 PolarHBondContact O-N 3.25Å; H222-L224 VanDerWaalsContact O-N 3.14Å
223Q73.9Confident73.4Confident151 Ų151121.7 Ų121.771%0.70666%0.655SS**  trans-65.3114.2170.4-65.2-1731.900109.3E221 R225E221-Q223 PolarHBondContact O-N 2.91Å; Q223-R225 PolarHBondContact O-N 2.74Å
224L73.9Confident73.5Confident149 Ų149118.6 Ų118.678%0.7865%0.645SS**PPolyproline II helixtrans-55.7125176.5-67.6174.5000109.8H222H222-L224 PolarHBondContact O-N 3.25Å; H222-L224 VanDerWaalsContact O-N 3.14Å
225R74.3Confident73.1Confident119 Ų119119.7 Ų119.745%0.44965%0.646SS.*PPolyproline II helixtrans-63132.3175.9176.5174-83.8-179.5-3.5108.9Q223 K227 L229Q223-R225 PolarHBondContact O-N 2.74Å; R225-K227 PolarHBondContact O-N 3.4Å; R225-L229 HydrophobicContact CG-CB 4.22Å; R225-L229 HydrophobicContact CG-CD2 4.33Å
226P76.6Confident72.6Confident61 Ų61116 Ų11640%0.39664%0.637SS.*PPolyproline II helixtrans-58.3134.5174.123.3-33.4000110.4G228 L229P226-G228 PolarHBondContact O-N 2.9Å; P226-L229 HydrophobicContact CG-CB 4.3Å; P226-L229 HydrophobicContact CG-CD2 4.21Å; P226-L229 PolarHBondContact O-N 2.84Å
227K78.8Confident72.4Confident214 Ų214114 Ų11493%0.9363%0.632SS**THydrogen-bonded Turntrans-58.7134.5177.4-62.9-179.4179.3-179.70109.2R225R225-K227 PolarHBondContact O-N 3.4Å
228G75Confident71.8Confident89 Ų89112.9 Ų112.992%0.91862%0.621SS**THydrogen-bonded Turntrans93-3.4179.600000115.9P226 G230P226-G228 PolarHBondContact O-N 2.9Å; G228-G230 PolarHBondContact O-N 3.43Å
229L77.4Confident71.1Confident35 Ų35112.5 Ų112.518%0.18362%0.62CS.*  trans-82.3113170.6-170.164.3000110R225 P226 A233 I238R225-L229 HydrophobicContact CG-CB 4.22Å; R225-L229 HydrophobicContact CG-CD2 4.33Å; P226-L229 HydrophobicContact CG-CB 4.3Å; P226-L229 HydrophobicContact CG-CD2 4.21Å; P226-L229 PolarHBondContact O-N 2.84Å; L229-A233 HydrophobicContact CD1-CB 3.61Å; L229-A233 WeakPolarHBondContact CD2-O 3.33Å; L229-A233 HydrophobicContact CG-CB 4.06Å; L229-I238 HydrophobicContact CD1-CD1 3.45Å; L229-I238 VanDerWaalsContact CD1-CD1 3.45Å
230G78.6Confident70.3Confident45 Ų45113.2 Ų113.246%0.46462%0.617SS.*  trans-56.3148.1-178.500000113.2G228 G232 A233G228-G230 PolarHBondContact O-N 3.43Å; G230-G232 PolarHBondContact O-N 2.85Å; G230-A233 PolarHBondContact O-N 3.32Å; G230-A233 VanDerWaalsContact O-N 3.09Å
231L69.1Low69.4Low172 Ų172112.5 Ų112.590%0.90161%0.614SS**THydrogen-bonded Turntrans-60.8117.1170.8-73.1155.8000108.7
232G68.2Low68.3Low75 Ų75110 Ų11077%0.77360%0.603SS**THydrogen-bonded Turntrans106.3-7-175.600000115G230G230-G232 PolarHBondContact O-N 2.85Å
233A67.4Low67.1Low39 Ų39108 Ų10832%0.32260%0.603SS.*  trans-93.3109170.400000110L229 G230L229-A233 HydrophobicContact CD1-CB 3.61Å; L229-A233 WeakPolarHBondContact CD2-O 3.33Å; L229-A233 HydrophobicContact CG-CB 4.06Å; G230-A233 PolarHBondContact O-N 3.32Å; G230-A233 VanDerWaalsContact O-N 3.09Å
234D63.4Low65.9Low99 Ų99106 Ų10653%0.52961%0.606SS.*  trans-78.9137.5173.5-74.7-28.5000110.7S236 A237D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 VanDerWaalsContact O-N 3.11Å; D234-A237 PolarHBondContact O-N 3.06Å
235R61.6Low64.7Low152 Ų152107 Ų10757%0.57460%0.604SS**Hα-helixtrans-60.7-21.5176.9-160.2176.3-178.2-179.71.1111.9I238 K239R235-I238 PolarHBondContact O-N 3.41Å; R235-K239 PolarHBondContact O-N 3.34Å
236S62.3Low63.2Low71 Ų71112.3 Ų112.350%0.49762%0.624SS.*Hα-helixtrans-62.5-46.5172.6-13.50000111.5D234 I238 K239 D240D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 VanDerWaalsContact O-N 3.11Å; S236-I238 PolarHBondContact O-N 3.5Å; S236-K239 WeakPolarHBondContact O-CB 3.41Å; S236-K239 PolarHBondContact O-N 2.82Å; S236-K239 VanDerWaalsContact O-N 3.08Å; S236-D240 VanDerWaalsContact O-CG 3.26Å; S236-D240 PolarHBondContact O-N 2.84Å
237A61.5Low62.1Low45 Ų45117.7 Ų117.737%0.37264%0.644SS.*Hα-helixtrans-66.4-28-179.900000112.4D234 D240 L241D234-A237 PolarHBondContact O-N 3.06Å; A237-D240 PolarHBondContact O-N 3.11Å; A237-L241 WeakPolarHBondContact O-CB 3.27Å; A237-L241 WeakPolarHBondContact O-CD1 3.31Å; A237-L241 WeakPolarHBondContact O-CG 3.48Å; A237-L241 PolarHBondContact O-N 3.08Å
238I58.3Low61Low82 Ų82118 Ų11842%0.42164%0.639SS.*Hα-helixtrans-73.2-38.1173.3-61.2173.7000111L229 R235 S236 D240 L241 E242L229-I238 HydrophobicContact CD1-CD1 3.45Å; L229-I238 VanDerWaalsContact CD1-CD1 3.45Å; R235-I238 PolarHBondContact O-N 3.41Å; S236-I238 PolarHBondContact O-N 3.5Å; I238-D240 PolarHBondContact O-N 3Å; I238-L241 CarbonylContact O-C 3.6Å; I238-L241 PolarHBondContact O-N 2.7Å; I238-E242 WeakPolarHBondContact O-CG 3.44Å; I238-E242 PolarHBondContact O-N 3.29Å
239K61Low60.2Low154 Ų154119.2 Ų119.267%0.6763%0.631SS**Hα-helixtrans-62-32.4170.8-83.2-176.8171.2-1760112.3R235 S236R235-K239 PolarHBondContact O-N 3.34Å; S236-K239 WeakPolarHBondContact O-CB 3.41Å; S236-K239 PolarHBondContact O-N 2.82Å; S236-K239 VanDerWaalsContact O-N 3.08Å
240D60.7Low59Low134 Ų134121.8 Ų121.872%0.71765%0.65SS**Hα-helixtrans-77.2-23.3176.7-59.4-33.2000112.7S236 A237 I238S236-D240 VanDerWaalsContact O-CG 3.26Å; S236-D240 PolarHBondContact O-N 2.84Å; A237-D240 PolarHBondContact O-N 3.11Å; I238-D240 PolarHBondContact O-N 3Å
241L59.3Low57.9Low144 Ų144127.6 Ų127.675%0.75466%0.662SS**Hα-helixtrans-97.5-13.5177.5-71.2169.9000114A237 I238A237-L241 WeakPolarHBondContact O-CB 3.27Å; A237-L241 WeakPolarHBondContact O-CD1 3.31Å; A237-L241 WeakPolarHBondContact O-CG 3.48Å; A237-L241 PolarHBondContact O-N 3.08Å; I238-L241 CarbonylContact O-C 3.6Å; I238-L241 PolarHBondContact O-N 2.7Å
242E57.1Low56.9Low125 Ų125126.2 Ų126.258%0.58466%0.664SS**SBendtrans-55.1129.7162.7-78.7-168.1140.100106.6I238 S244I238-E242 WeakPolarHBondContact O-CG 3.44Å; I238-E242 PolarHBondContact O-N 3.29Å; E242-S244 VanDerWaalsContact C-N 3.27Å; E242-S244 PolarHBondContact O-N 3.16Å
243P49.7Very low56.4Low113 Ų113126.6 Ų126.673%0.73467%0.668SS**  trans-61.999.9-179.425.5-32.6000106.8K245P243-K245 PolarHBondContact O-N 2.87Å
244S49.6Very low56Low108 Ų108131.9 Ų131.976%0.75569%0.685SS**  trans-62.276.2157.1-176.60000105.4E242 R246E242-S244 VanDerWaalsContact C-N 3.27Å; E242-S244 PolarHBondContact O-N 3.16Å; S244-R246 PolarHBondContact O-N 3.05Å
245K49.5Very low55.3Low171 Ų171136.1 Ų136.174%0.74370%0.702SS**  trans-53.8101.8150.4-73.6-174.6-179.6-177.40101.9P243 Q247P243-K245 PolarHBondContact O-N 2.87Å; K245-Q247 PolarHBondContact O-N 3.37Å
246R42.6Very low54.6Low231 Ų231137.3 Ų137.387%0.87271%0.714SS**  trans-48.294.6166.4-68-179.5177.9-173.6-1.4105.1S244 R248S244-R246 PolarHBondContact O-N 3.05Å; R246-R248 PolarHBondContact O-N 2.81Å
247Q53.5Low54Low173 Ų173138.5 Ų138.581%0.80872%0.72SS**  trans-67.4113177.2-71-151.121.500103.2K245K245-Q247 PolarHBondContact O-N 3.37Å
248R55.7Low53.2Low221 Ų221145.2 Ų145.283%0.83474%0.741SS**PPolyproline II helixtrans-50.3138.5167.3-75.5176.9174.9164.5-2.6106.3R246 P250R246-R248 PolarHBondContact O-N 2.81Å; R248-P250 VanDerWaalsContact O-N 3.11Å
249P56.7Low52.6Low114 Ų114150.5 Ų150.574%0.7476%0.764SS**PPolyproline II helixtrans-48.1126.6172.6-8.910.2000107.9K251P249-K251 PolarHBondContact O-N 3.36Å
250P54Low52.5Low89 Ų89147.5 Ų147.558%0.57875%0.752SS**PPolyproline II helixtrans-58131-175.321.8-31.2000108.3R248R248-P250 VanDerWaalsContact O-N 3.11Å
251K54.9Low52.5Low167 Ų167150.1 Ų150.173%0.72676%0.76SS**PPolyproline II helixtrans-62.5146.1171.1-69.8179.1-179.6179.50107.8P249 G253 E254P249-K251 PolarHBondContact O-N 3.36Å; K251-G253 PolarHBondContact O-N 3.08Å; K251-E254 PolarHBondContact O-N 2.81Å
252P47.4Very low53.1Low144 Ų144147.5 Ų147.594%0.93575%0.746SS**THydrogen-bonded Turntrans-54.1107.3175-22.331.9000109.8
253G58.8Low53.8Low83 Ų83144.4 Ų144.486%0.85674%0.742SS**THydrogen-bonded Turntrans127-5.5179.500000117.5K251K251-G253 PolarHBondContact O-N 3.08Å
254E57.9Low55.1Low149 Ų149141.6 Ų141.670%0.69672%0.72SS**  trans-88.9112.7177.8-117.7176.4170.500112.1K251 Q256K251-E254 PolarHBondContact O-N 2.81Å; E254-Q256 PolarHBondContact O-N 2.99Å
255E50.1Low56.6Low189 Ų189138.4 Ų138.488%0.88370%0.701SS**  trans-66.1124.7173.3-69.9-173.5161.100110.9
256Q46.3Very low58.2Low176 Ų176134.9 Ų134.982%0.82270%0.695SS**  trans-57.2135.1174.3-76.9-177.7-11.700110.9E254 K258E254-Q256 PolarHBondContact O-N 2.99Å; Q256-K258 PolarHBondContact O-N 2.9Å
257P48.6Very low60.1Low96 Ų96126.4 Ų126.462%0.62368%0.679SS**  trans-68.499.5170.528.2-31.6000108.7Q259P257-Q259 PolarHBondContact O-N 3.49Å
258K44.6Very low61.8Low186 Ų186118.9 Ų118.981%0.80965%0.648SS**  trans-49.6112161.3-100.1177175173.70107.7Q256 E260Q256-K258 PolarHBondContact O-N 2.9Å; K258-E260 VanDerWaalsContact C-N 3.29Å; K258-E260 PolarHBondContact O-N 3.5Å
259Q47.7Very low63.4Low194 Ų194109 Ų10991%0.90761%0.613SS**  trans-6796.6164.7-75.3177.6-4.400105.8P257 E261P257-Q259 PolarHBondContact O-N 3.49Å; Q259-E261 PolarHBondContact O-N 2.75Å
260E58.9Low65.1Low90 Ų90103.6 Ų103.642%0.42158%0.578SS.*  trans-67118.2171.3-72.4-179.3159.100107.5K258 L262 R317K258-E260 VanDerWaalsContact C-N 3.29Å; K258-E260 PolarHBondContact O-N 3.5Å; E260-L262 PolarHBondContact O-N 3.02Å; E260-R317 VanDerWaalsContact OE2-CB 3.3Å; E260-R317 WeakPolarHBondContact OE2-CB 3.33Å; E260-R317 PolarHBondContact OE2-N 3.15Å
261E59.7Low66.9Low190 Ų190100.8 Ų100.889%0.88856%0.558SS**  trans-62.8108175.9-164169.2-169.900108.7Q259 A263Q259-E261 PolarHBondContact O-N 2.75Å; E261-A263 PolarHBondContact O-N 2.98Å
262L71.6Confident68.5Low88 Ų8892.9 Ų92.946%0.46152%0.524SS..  trans-7991.4-175.1-59.4177.6000109.4E260 L314E260-L262 PolarHBondContact O-N 3.02Å; L262-L314 HydrophobicContact CB-CB 4.26Å
263A72.3Confident70.3Confident60 Ų6087.9 Ų87.950%0.49650%0.498SS..  trans-92.7144.6174.100000111.6E261 A265E261-A263 PolarHBondContact O-N 2.98Å; A263-A265 HydrophobicContact CB-CB 4.46Å; A263-A265 PolarHBondContact O-N 3.45Å
264M78Confident71.3Confident54 Ų5487 Ų8727%0.26648%0.479SS..  trans-80.961.9174.7-146.2168.1-158.300110.3I284 V294 Q309 V312 L314M264-I284 HydrophobicContact CG-CD1 4.1Å; M264-V294 HydrophobicContact CE-CG2 4.23Å; M264-Q309 HydrophobicContact CE-CB 4.47Å; M264-Q309 HydrophobicContact CE-CG 3.49Å; M264-Q309 VanDerWaalsContact CE-CG 3.49Å; M264-Q309 HydrophobicContact SD-CG 3.51Å; M264-Q309 VanDerWaalsContact SD-CG 3.51Å; M264-Q309 PolarHBondContact SD-NE2 2.93Å; M264-V312 HydrophobicContact CE-CB 4.45Å; M264-L314 HydrophobicContact CB-CD1 4.11Å; M264-L314 HydrophobicContact CG-CD1 4.31Å; M264-L314 HydrophobicContact CG-CD2 4.41Å
265A81.2Confident72.5Confident42 Ų4282.8 Ų82.835%0.34748%0.476SS..SBendtrans-112.5161.1-177.600000111.1A263 G267 G268A263-A265 HydrophobicContact CB-CB 4.46Å; A263-A265 PolarHBondContact O-N 3.45Å; A265-G267 PolarHBondContact O-N 3.44Å; A265-G268 PolarHBondContact O-N 3.2Å
266P82.7Confident74.1Confident96 Ų9678.7 Ų78.762%0.62347%0.474SS*.THydrogen-bonded Turntrans-50.9130.5168.6-23.433.2000110.6
267G82.1Confident75.9Confident53 Ų5372.5 Ų72.555%0.54645%0.445SS..THydrogen-bonded Turntrans90.2-5.8-173.400000115.3A265 I284A265-G267 PolarHBondContact O-N 3.44Å; G267-I284 PolarHBondContact N-O 3.49Å
268G88.3Confident77.6Confident15 Ų1573.3 Ų73.316%0.15544%0.438CS..  trans-62.9140.7173.200000112.5A265 K283 I284A265-G268 PolarHBondContact O-N 3.2Å; G268-K283 WeakPolarHBondContact O-CA 3.33Å; G268-I284 PolarHBondContact O-N 2.76Å
269C90.6Very high79.6Confident15 Ų1567.7 Ų67.710%0.10142%0.417CS..EExtended strand (participates in β ladder)trans-88.9134.2176.1-63.90000110V315 Y320C269-V315 WeakPolarHBondContact CB-O 3.14Å; C269-V315 PolarHBondContact O-N 3.4Å; C269-V315 VanDerWaalsContact O-O 3.09Å; C269-Y320 HydrophobicContact CB-CD2 3.81Å; C269-Y320 HydrophobicContact CB-CG 3.83Å
270V91.4Very high81.6Confident0 Ų059.6 Ų59.60%038%0.38CS..EExtended strand (participates in β ladder)trans-139.5154-173.4-690000113.1Y281 G282 I284 V296 V312 K313 L314V270-Y281 CarbonylContact O-C 3.56Å; V270-Y281 WeakPolarHBondContact O-CA 3.48Å; V270-G282 VanDerWaalsContact CG2-O 3.32Å; V270-G282 WeakPolarHBondContact CG2-O 3.49Å; V270-G282 PolarHBondContact N-O 2.9Å; V270-G282 PolarHBondContact O-N 2.75Å; V270-I284 HydrophobicContact CG1-CD1 3.6Å; V270-I284 HydrophobicContact CG1-CG1 3.68Å; V270-I284 HydrophobicContact CG2-CG1 4.06Å; V270-V296 HydrophobicContact CG2-CB 4.45Å; V270-V296 HydrophobicContact CG2-CG1 3.58Å; V270-V296 HydrophobicContact CG2-CG2 3.93Å; V270-V312 HydrophobicContact CB-CG1 3.34Å; V270-V312 HydrophobicContact CG1-CG1 3.52Å; V270-V312 HydrophobicContact CG2-CG1 3.79Å; V270-K313 CarbonylContact C-O 3.6Å; V270-K313 VanDerWaalsContact CA-O 3.32Å; V270-K313 WeakPolarHBondContact CA-O 3.35Å; V270-L314 HydrophobicContact CG1-CD2 3.92Å
271L91.3Very high83.1Confident30 Ų3056 Ų5616%0.15736%0.363CS..EExtended strand (participates in β ladder)trans-115130.2171175.965.8000109.3G273 Y281 K313 V315L271-G273 PolarHBondContact O-N 3.14Å; L271-Y281 HydrophobicContact CB-CD1 4.03Å; L271-Y281 HydrophobicContact CB-CE1 3.91Å; L271-Y281 HydrophobicContact CD1-CD1 4.04Å; L271-Y281 HydrophobicContact CD1-CD2 3.95Å; L271-Y281 HydrophobicContact CD1-CE1 3.93Å; L271-Y281 HydrophobicContact CD1-CE2 3.82Å; L271-Y281 HydrophobicContact CD1-CG 4.06Å; L271-Y281 HydrophobicContact CD2-CE1 4.38Å; L271-Y281 HydrophobicContact CG-CE1 4.3Å; L271-K313 PolarHBondContact N-O 3.28Å; L271-K313 PolarHBondContact O-N 3.46Å; L271-V315 HydrophobicContact CB-CG2 3.7Å
272V90.1Very high84.6Confident1 Ų147 Ų471%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-81.6117.1179.1-177.50000109.8S274 H277 D279 L280 L298 L307V272-S274 VanDerWaalsContact CG1-O 3.23Å; V272-S274 WeakPolarHBondContact CG1-O 3.41Å; V272-H277 VanDerWaalsContact CB-O 3.24Å; V272-H277 WeakPolarHBondContact CB-O 3.46Å; V272-H277 HydrophobicContact CG1-CB 4.46Å; V272-H277 WeakPolarHBondContact CG1-O 3.07Å; V272-D279 PolarHBondContact O-N 3.42Å; V272-L280 WeakPolarHBondContact CG2-O 3.41Å; V272-L280 PolarHBondContact N-O 2.86Å; V272-L298 HydrophobicContact CG2-CD2 4.1Å; V272-L307 HydrophobicContact CB-CD1 4.18Å; V272-L307 HydrophobicContact CG1-CD1 3.8Å; V272-L307 HydrophobicContact CG1-CD2 4.33Å; V272-L307 HydrophobicContact CG2-CD1 3.31Å
273G83.7Confident85.6Confident39 Ų3947.7 Ų47.740%0.40232%0.32SS..  trans-90-22.7-179.500000114.4L271 K278 G311L271-G273 PolarHBondContact O-N 3.14Å; G273-K278 WeakPolarHBondContact O-CE 3.5Å; G273-K278 WeakPolarHBondContact O-CG 3.46Å; G273-G311 PolarHBondContact N-O 3.21Å
274S80.1Confident86.6Confident65 Ų6545 Ų4546%0.45530%0.297SS..SBendtrans-140.3153.8-175.163.90000113.2V272 G311V272-S274 VanDerWaalsContact CG1-O 3.23Å; V272-S274 WeakPolarHBondContact CG1-O 3.41Å; S274-G311 PolarHBondContact N-O 3.21Å; S274-G311 VanDerWaalsContact OG-CA 3.26Å; S274-G311 WeakPolarHBondContact OG-CA 3.38Å
275G84.1Confident87.1Confident60 Ų6047.9 Ų47.962%0.61931%0.31SS*.SBendtrans97.7-168.4178.200000115H277 K278G275-H277 PolarHBondContact O-N 3.22Å; G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 PolarHBondContact O-N 3.09Å
276A83.8Confident87.5Confident102 Ų10247 Ų4784%0.84331%0.305SS*.THydrogen-bonded Turntrans-65-22.1-176.300000113.7
277H84.4Confident87.9Confident46 Ų4645.2 Ų45.221%0.21329%0.292CS..THydrogen-bonded Turntrans-107.329.6-178.7-64.7-69.6000112.1V272 G275 L280 L298V272-H277 VanDerWaalsContact CB-O 3.24Å; V272-H277 WeakPolarHBondContact CB-O 3.46Å; V272-H277 HydrophobicContact CG1-CB 4.46Å; V272-H277 WeakPolarHBondContact CG1-O 3.07Å; G275-H277 PolarHBondContact O-N 3.22Å; H277-L280 HydrophobicContact CB-CD1 3.91Å; H277-L280 WeakPolarHBondContact O-CB 3.42Å; H277-L280 PolarHBondContact O-N 2.66Å; H277-L298 HydrophobicContact CB-CD1 3.99Å; H277-L298 HydrophobicContact CB-CD2 4.48Å; H277-L298 WeakPolarHBondContact ND1-CD1 3.31Å
278K84Confident88.2Confident113 Ų11345.5 Ų45.549%0.49128%0.281SS..THydrogen-bonded Turntrans-57.8139.2179.1-177.6175.4179.71790111.8G273 G275 L280G273-K278 WeakPolarHBondContact O-CE 3.5Å; G273-K278 WeakPolarHBondContact O-CG 3.46Å; G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 PolarHBondContact O-N 3.09Å; K278-L280 PolarHBondContact O-N 3.17Å
279D86.3Confident87.9Confident68 Ų6848.9 Ų48.936%0.36431%0.307SS..THydrogen-bonded Turntrans66.612.3-179.5-49.9-42.2000114.6V272 L330V272-D279 PolarHBondContact O-N 3.42Å; D279-L330 HydrophobicContact CB-CD2 4.29Å
280L88.3Confident87.6Confident24 Ų2455.4 Ų55.413%0.12634%0.341CS..  trans-92.2138.3172.6-63175.3000111V272 H277 K278 L298 I300 L330V272-L280 WeakPolarHBondContact CG2-O 3.41Å; V272-L280 PolarHBondContact N-O 2.86Å; H277-L280 HydrophobicContact CB-CD1 3.91Å; H277-L280 WeakPolarHBondContact O-CB 3.42Å; H277-L280 PolarHBondContact O-N 2.66Å; K278-L280 PolarHBondContact O-N 3.17Å; L280-L298 HydrophobicContact CB-CD2 4.07Å; L280-L298 HydrophobicContact CD1-CD1 4.2Å; L280-I300 HydrophobicContact CD2-CB 4.24Å; L280-I300 HydrophobicContact CD2-CD1 3.8Å; L280-I300 HydrophobicContact CD2-CG1 4.35Å; L280-L330 HydrophobicContact CD2-CD1 3.73Å; L280-L330 HydrophobicContact CD2-CD2 4.44Å
281Y91.1Very high87.3Confident15 Ų1560.4 Ų60.46%0.05937%0.368CS..EExtended strand (participates in β ladder)trans-85.8148.3173.2-70.4-89.1000110.7V270 L271 A299 V315 E319 Y320V270-Y281 CarbonylContact O-C 3.56Å; V270-Y281 WeakPolarHBondContact O-CA 3.48Å; L271-Y281 HydrophobicContact CB-CD1 4.03Å; L271-Y281 HydrophobicContact CB-CE1 3.91Å; L271-Y281 HydrophobicContact CD1-CD1 4.04Å; L271-Y281 HydrophobicContact CD1-CD2 3.95Å; L271-Y281 HydrophobicContact CD1-CE1 3.93Å; L271-Y281 HydrophobicContact CD1-CE2 3.82Å; L271-Y281 HydrophobicContact CD1-CG 4.06Å; L271-Y281 HydrophobicContact CD2-CE1 4.38Å; L271-Y281 HydrophobicContact CG-CE1 4.3Å; Y281-A299 WeakPolarHBondContact O-CB 3.45Å; Y281-A299 PolarHBondContact O-N 2.93Å; Y281-V315 HydrophobicContact CD1-CG1 4.48Å; Y281-V315 HydrophobicContact CE1-CB 4.41Å; Y281-V315 HydrophobicContact CE1-CG1 3.97Å; Y281-V315 HydrophobicContact CE1-CG2 4.02Å; Y281-E319 HydrophobicContact CE1-CG 4.45Å; Y281-E319 PolarHBondContact OH-OE1 3.11Å; Y281-Y320 HydrophobicContact CD1-CD2 4.16Å; Y281-Y320 HydrophobicContact CG-CD2 4.41Å
282G91.1Very high87.1Confident0 Ų060 Ų600%037%0.369CS..EExtended strand (participates in β ladder)trans-154.7173.1173.300000113.5V270 K297 Y320V270-G282 VanDerWaalsContact CG2-O 3.32Å; V270-G282 WeakPolarHBondContact CG2-O 3.49Å; V270-G282 PolarHBondContact N-O 2.9Å; V270-G282 PolarHBondContact O-N 2.75Å; G282-K297 CarbonylContact C-O 3.56Å; G282-K297 WeakPolarHBondContact CA-O 3.28Å; G282-Y320 WeakPolarHBondContact O-CE2 3.4Å
283K93.1Very high87.1Confident104 Ų10466.9 Ų66.945%0.45240%0.395SS..EExtended strand (participates in β ladder)trans-107.6137172.7-72.2-179179-177.50110G268 E285 V296 K297 Y320G268-K283 WeakPolarHBondContact O-CA 3.33Å; K283-E285 PolarHBondContact O-N 2.83Å; K283-V296 CarbonylContact O-C 3.58Å; K283-V296 WeakPolarHBondContact O-CA 3.42Å; K283-K297 PolarHBondContact N-O 2.84Å; K283-K297 PolarHBondContact O-N 2.91Å; K283-Y320 HydrophobicContact CG-CE1 4.31Å; K283-Y320 HydrophobicContact CG-CE2 4.31Å
284I92.4Very high87.5Confident4 Ų465 Ų652%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-69125.4174.3-58.6172.1000108.4M264 G267 G268 V270 V287 V294 L314M264-I284 HydrophobicContact CG-CD1 4.1Å; G267-I284 PolarHBondContact N-O 3.49Å; G268-I284 PolarHBondContact O-N 2.76Å; V270-I284 HydrophobicContact CG1-CD1 3.6Å; V270-I284 HydrophobicContact CG1-CG1 3.68Å; V270-I284 HydrophobicContact CG2-CG1 4.06Å; I284-V287 HydrophobicContact CG2-CG2 3.76Å; I284-V294 HydrophobicContact CB-CG1 4.3Å; I284-V294 HydrophobicContact CD1-CG1 4.26Å; I284-V294 HydrophobicContact CG1-CG1 3.88Å; I284-V294 HydrophobicContact CG2-CG1 3.64Å; I284-L314 HydrophobicContact CD1-CD2 4.42Å
285E90.2Very high88.1Confident114 Ų11464.2 Ų64.253%0.53337%0.368SS..EExtended strand (participates in β ladder)trans-96.8-35.3173.2-167.1169.8-172.500110.6K283 V295 T304K283-E285 PolarHBondContact O-N 2.83Å; E285-V295 HydrophobicContact CB-CG1 4.43Å; E285-V295 PolarHBondContact N-O 3.3Å; E285-T304 VanDerWaalsContact OE2-CG2 3.27Å; E285-T304 WeakPolarHBondContact OE2-CG2 3.39Å
286G89.2Confident88.5Confident23 Ų2361.4 Ų61.424%0.23734%0.339CS..EExtended strand (participates in β ladder)trans-157.9154175.500000112.8V295G286-V295 PolarHBondContact N-O 2.75Å; G286-V295 PolarHBondContact O-N 2.83Å
287V90.5Very high88.9Confident58 Ų5861.6 Ų61.635%0.35232%0.321SS..EExtended strand (participates in β ladder)trans-118.1123.7175.6-178.40000107.8I284 V294I284-V287 HydrophobicContact CG2-CG2 3.76Å; V287-V294 HydrophobicContact CG2-CG1 4.34Å
288D88.6Confident89.2Confident60 Ų6059.6 Ų59.632%0.32131%0.312SS..EExtended strand (participates in β ladder)trans-96.4101.9171.5179.7-5.4000107.7D290 N291 A292 R293D288-D290 VanDerWaalsContact C-N 3.3Å; D288-D290 PolarHBondContact OD1-N 3.08Å; D288-D290 VanDerWaalsContact OD1-N 3.17Å; D288-N291 PolarHBondContact OD1-N 3.16Å; D288-N291 WeakPolarHBondContact OD2-CB 3.35Å; D288-N291 PolarHBondContact OD2-ND2 3.38Å; D288-A292 PolarHBondContact O-N 3.21Å; D288-R293 HydrophobicContact CB-CB 4.37Å; D288-R293 WeakPolarHBondContact CB-O 3.34Å; D288-R293 PolarHBondContact N-O 2.82Å; D288-R293 PolarHBondContact O-N 2.93Å
289A82.6Confident89.4Confident85 Ų8555.9 Ų55.970%0.70230%0.302SS*.THydrogen-bonded Turntrans-68.4-29.9-176.700000112.4
290D83.9Confident89.2Confident153 Ų15355 Ų5582%0.81830%0.297SS*.THydrogen-bonded Turntrans-78.1-37.9-172.9-62.5-35.5000111.4D288D288-D290 VanDerWaalsContact C-N 3.3Å; D288-D290 PolarHBondContact OD1-N 3.08Å; D288-D290 VanDerWaalsContact OD1-N 3.17Å
291N84.2Confident88.8Confident104 Ų10457.4 Ų57.456%0.55633%0.327SS*.THydrogen-bonded Turntrans-99.84.7-178.7-63.2-63000114.3D288 R293D288-N291 PolarHBondContact OD1-N 3.16Å; D288-N291 WeakPolarHBondContact OD2-CB 3.35Å; D288-N291 PolarHBondContact OD2-ND2 3.38Å; N291-R293 HydrophobicContact CB-CG 4.27Å; N291-R293 PolarHBondContact O-N 3.26Å
292A87.6Confident88.5Confident22 Ų2258.6 Ų58.618%0.18234%0.344CS..THydrogen-bonded Turntrans4944.2-172.400000112.4D288 Q309 Y310D288-A292 PolarHBondContact O-N 3.21Å; A292-Q309 HydrophobicContact CB-CB 4.39Å; A292-Q309 WeakPolarHBondContact O-CB 3.49Å; A292-Q309 PolarHBondContact O-N 2.83Å; A292-Y310 HydrophobicContact CB-CE2 4.12Å
293R89.8Confident88.4Confident145 Ų14565.1 Ų65.155%0.54737%0.372SS..EExtended strand (participates in β ladder)trans-119.3148.9-179.4-74.3177.3-175.6-167.42110.4D288 N291 T306 L307D288-R293 HydrophobicContact CB-CB 4.37Å; D288-R293 WeakPolarHBondContact CB-O 3.34Å; D288-R293 PolarHBondContact N-O 2.82Å; D288-R293 PolarHBondContact O-N 2.93Å; N291-R293 HydrophobicContact CB-CG 4.27Å; N291-R293 PolarHBondContact O-N 3.26Å; R293-T306 HydrophobicContact CB-CG2 4.05Å; R293-T306 HydrophobicContact CG-CG2 4.39Å; R293-L307 CarbonylContact C-O 3.53Å; R293-L307 WeakPolarHBondContact CA-O 3.43Å
294V92.1Very high88.3Confident0 Ų063.9 Ų63.90%037%0.374CS..EExtended strand (participates in β ladder)trans-130.1127.3-178.2-172.90000108.2M264 I284 V287 V296 L307 Q309M264-V294 HydrophobicContact CE-CG2 4.23Å; I284-V294 HydrophobicContact CB-CG1 4.3Å; I284-V294 HydrophobicContact CD1-CG1 4.26Å; I284-V294 HydrophobicContact CG1-CG1 3.88Å; I284-V294 HydrophobicContact CG2-CG1 3.64Å; V287-V294 HydrophobicContact CG2-CG1 4.34Å; V294-V296 HydrophobicContact CB-CG2 4.32Å; V294-V296 HydrophobicContact CG1-CG2 3.75Å; V294-L307 PolarHBondContact N-O 2.93Å; V294-L307 PolarHBondContact O-N 2.97Å; V294-Q309 HydrophobicContact CG2-CB 4.14Å; V294-Q309 HydrophobicContact CG2-CG 4.3Å
295V92.1Very high88.2Confident49 Ų4964.7 Ų64.730%0.29738%0.379SS..EExtended strand (participates in β ladder)trans-88.1115.5173.5-176.50000107.5E285 G286E285-V295 HydrophobicContact CB-CG1 4.43Å; E285-V295 PolarHBondContact N-O 3.3Å; G286-V295 PolarHBondContact N-O 2.75Å; G286-V295 PolarHBondContact O-N 2.83Å
296V92.8Very high88.3Confident0 Ų063.3 Ų63.30%038%0.378CS..EExtended strand (participates in β ladder)trans-118.8127.2-175.3-178.20000109.5V270 K283 V294 V305 L307V270-V296 HydrophobicContact CG2-CB 4.45Å; V270-V296 HydrophobicContact CG2-CG1 3.58Å; V270-V296 HydrophobicContact CG2-CG2 3.93Å; K283-V296 CarbonylContact O-C 3.58Å; K283-V296 WeakPolarHBondContact O-CA 3.42Å; V294-V296 HydrophobicContact CB-CG2 4.32Å; V294-V296 HydrophobicContact CG1-CG2 3.75Å; V296-V305 PolarHBondContact N-O 2.87Å; V296-V305 PolarHBondContact O-N 2.81Å; V296-L307 HydrophobicContact CB-CD1 4.28Å; V296-L307 HydrophobicContact CG2-CD1 4.24Å
297K92.6Very high88.3Confident106 Ų10663.2 Ų63.246%0.46137%0.372SS..EExtended strand (participates in β ladder)trans-85.9108.8168.8-171.5170-173.7166.90109.3G282 K283 T304G282-K297 CarbonylContact C-O 3.56Å; G282-K297 WeakPolarHBondContact CA-O 3.28Å; K283-K297 PolarHBondContact N-O 2.84Å; K283-K297 PolarHBondContact O-N 2.91Å; K297-T304 HydrophobicContact CB-CG2 4.21Å; K297-T304 HydrophobicContact CG-CG2 4.21Å
298L91.3Very high88.3Confident5 Ų563.1 Ų63.13%0.02637%0.374CS..EExtended strand (participates in β ladder)trans-65.4139.2-179.5-63.9174.7000110.7V272 H277 L280 I300 G302 K303 V305V272-L298 HydrophobicContact CG2-CD2 4.1Å; H277-L298 HydrophobicContact CB-CD1 3.99Å; H277-L298 HydrophobicContact CB-CD2 4.48Å; H277-L298 WeakPolarHBondContact ND1-CD1 3.31Å; L280-L298 HydrophobicContact CB-CD2 4.07Å; L280-L298 HydrophobicContact CD1-CD1 4.2Å; L298-I300 VanDerWaalsContact C-N 3.3Å; L298-G302 WeakPolarHBondContact O-CA 3.38Å; L298-G302 PolarHBondContact O-N 3.23Å; L298-K303 PolarHBondContact N-O 2.91Å; L298-V305 HydrophobicContact CD1-CG2 3.73Å; L298-V305 HydrophobicContact CG-CG2 4.23Å
299A87.7Confident88.2Confident34 Ų3463.6 Ų63.628%0.28138%0.375SS..THydrogen-bonded Turntrans-66.8-36.8176.200000111.7Y281 Y320 S324Y281-A299 WeakPolarHBondContact O-CB 3.45Å; Y281-A299 PolarHBondContact O-N 2.93Å; A299-Y320 HydrophobicContact CB-CE2 4.3Å; A299-Y320 VanDerWaalsContact CB-OH 3.31Å; A299-Y320 WeakPolarHBondContact CB-OH 3.2Å; A299-S324 WeakPolarHBondContact CB-O 3.35Å
300I83.2Confident88.4Confident50 Ų5069.1 Ų69.126%0.25638%0.378SS..THydrogen-bonded Turntrans-94116.9179-53.9-173.1000107.9L280 L298 G302 S324 L327 L330L280-I300 HydrophobicContact CD2-CB 4.24Å; L280-I300 HydrophobicContact CD2-CD1 3.8Å; L280-I300 HydrophobicContact CD2-CG1 4.35Å; L298-I300 VanDerWaalsContact C-N 3.3Å; I300-G302 VanDerWaalsContact C-N 3.32Å; I300-G302 PolarHBondContact O-N 2.9Å; I300-S324 WeakPolarHBondContact CG1-O 3.41Å; I300-L327 HydrophobicContact CD1-CD2 4.19Å; I300-L327 HydrophobicContact CG2-CD2 4.38Å; I300-L330 HydrophobicContact CD1-CD1 4.12Å
301G79.4Confident88.5Confident75 Ų7562.3 Ų62.377%0.77334%0.344SS*.THydrogen-bonded Turntrans82.4-2.2178.600000115.6K303G301-K303 PolarHBondContact O-N 2.82Å
302G83.8Confident88.8Confident40 Ų4058.2 Ų58.241%0.41232%0.323SS..  trans62.84.2171.500000116L298 I300L298-G302 WeakPolarHBondContact O-CA 3.38Å; L298-G302 PolarHBondContact O-N 3.23Å; I300-G302 VanDerWaalsContact C-N 3.32Å; I300-G302 PolarHBondContact O-N 2.9Å
303K89.4Confident88.9Confident136 Ų13664.1 Ų64.159%0.59135%0.345SS*.  trans-73.8134.2-175.9-170176.6-177.8179.80110.3L298 G301 V305L298-K303 PolarHBondContact N-O 2.91Å; G301-K303 PolarHBondContact O-N 2.82Å; K303-V305 HydrophobicContact CG-CG2 4.27Å
304T91.8Very high88.9Confident78 Ų7859.6 Ų59.648%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-83.3128.4171.650.30000109.4E285 K297E285-T304 VanDerWaalsContact OE2-CG2 3.27Å; E285-T304 WeakPolarHBondContact OE2-CG2 3.39Å; K297-T304 HydrophobicContact CB-CG2 4.21Å; K297-T304 HydrophobicContact CG-CG2 4.21Å
305V90Very high88.7Confident22 Ų2259.9 Ų59.913%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-132.5134.1-177.9-174.90000109.1V296 L298 K303 L307V296-V305 PolarHBondContact N-O 2.87Å; V296-V305 PolarHBondContact O-N 2.81Å; L298-V305 HydrophobicContact CD1-CG2 3.73Å; L298-V305 HydrophobicContact CG-CG2 4.23Å; K303-V305 HydrophobicContact CG-CG2 4.27Å; V305-L307 HydrophobicContact CG1-CD2 3.75Å; V305-L307 HydrophobicContact CG1-CG 4.04Å
306T91.3Very high88.5Confident84 Ų8458.5 Ų58.552%0.51533%0.329SS..EExtended strand (participates in β ladder)trans-85.9120.5171.9-47.40000109.4R293R293-T306 HydrophobicContact CB-CG2 4.05Å; R293-T306 HydrophobicContact CG-CG2 4.39Å
307L89.8Confident88.1Confident22 Ų2266.4 Ų66.412%0.11536%0.359CS..EExtended strand (participates in β ladder)trans-123.1155.5-177.4-61.5172.1000110V272 R293 V294 V296 V305 V312V272-L307 HydrophobicContact CB-CD1 4.18Å; V272-L307 HydrophobicContact CG1-CD1 3.8Å; V272-L307 HydrophobicContact CG1-CD2 4.33Å; V272-L307 HydrophobicContact CG2-CD1 3.31Å; R293-L307 CarbonylContact C-O 3.53Å; R293-L307 WeakPolarHBondContact CA-O 3.43Å; V294-L307 PolarHBondContact N-O 2.93Å; V294-L307 PolarHBondContact O-N 2.97Å; V296-L307 HydrophobicContact CB-CD1 4.28Å; V296-L307 HydrophobicContact CG2-CD1 4.24Å; V305-L307 HydrophobicContact CG1-CD2 3.75Å; V305-L307 HydrophobicContact CG1-CG 4.04Å; L307-V312 HydrophobicContact CB-CG2 3.87Å; L307-V312 HydrophobicContact CD1-CG2 4.1Å
308S89.8Confident87.8Confident56 Ų5667.5 Ų67.539%0.39236%0.364SS..EExtended strand (participates in β ladder)trans-73141.2172.1177.90000110.2Y310 G311 V312S308-Y310 PolarHBondContact O-N 2.69Å; S308-G311 PolarHBondContact O-N 2.86Å; S308-V312 WeakPolarHBondContact O-CG2 3.41Å
309Q87.8Confident87.6Confident70 Ų7071 Ų7133%0.32738%0.38SS..G310 helixtrans-52.3-37.2175.5-167.5-177.3800112.2M264 A292 V294 G311 V312M264-Q309 HydrophobicContact CE-CB 4.47Å; M264-Q309 HydrophobicContact CE-CG 3.49Å; M264-Q309 VanDerWaalsContact CE-CG 3.49Å; M264-Q309 HydrophobicContact SD-CG 3.51Å; M264-Q309 VanDerWaalsContact SD-CG 3.51Å; M264-Q309 PolarHBondContact SD-NE2 2.93Å; A292-Q309 HydrophobicContact CB-CB 4.39Å; A292-Q309 WeakPolarHBondContact O-CB 3.49Å; A292-Q309 PolarHBondContact O-N 2.83Å; V294-Q309 HydrophobicContact CG2-CB 4.14Å; V294-Q309 HydrophobicContact CG2-CG 4.3Å; Q309-G311 VanDerWaalsContact C-N 3.27Å; Q309-G311 PolarHBondContact O-N 3.32Å; Q309-V312 PolarHBondContact O-N 3.15Å
310Y87.3Confident87.5Confident200 Ų20070.7 Ų70.778%0.78437%0.371SS*.G310 helixtrans-71.5-18.3178.9-57-73.7000114A292 S308A292-Y310 HydrophobicContact CB-CE2 4.12Å; S308-Y310 PolarHBondContact O-N 2.69Å
311G85.8Confident87.7Confident10 Ų1075.4 Ų75.410%0.10339%0.393CS..G310 helixtrans-91.95.4-179.500000114.2G273 S274 S308 Q309G273-G311 PolarHBondContact N-O 3.21Å; S274-G311 PolarHBondContact N-O 3.21Å; S274-G311 VanDerWaalsContact OG-CA 3.26Å; S274-G311 WeakPolarHBondContact OG-CA 3.38Å; S308-G311 PolarHBondContact O-N 2.86Å; Q309-G311 VanDerWaalsContact C-N 3.27Å; Q309-G311 PolarHBondContact O-N 3.32Å
312V88.9Confident87.9Confident18 Ų1878.9 Ų78.911%0.10939%0.386CS..EExtended strand (participates in β ladder)trans-127.3130.1-168.8-178.40000110.3M264 V270 L307 S308 Q309M264-V312 HydrophobicContact CE-CB 4.45Å; V270-V312 HydrophobicContact CB-CG1 3.34Å; V270-V312 HydrophobicContact CG1-CG1 3.52Å; V270-V312 HydrophobicContact CG2-CG1 3.79Å; L307-V312 HydrophobicContact CB-CG2 3.87Å; L307-V312 HydrophobicContact CD1-CG2 4.1Å; S308-V312 WeakPolarHBondContact O-CG2 3.41Å; Q309-V312 PolarHBondContact O-N 3.15Å
313K90.2Very high87.8Confident146 Ų14680.5 Ų80.564%0.63538%0.38SS*.EExtended strand (participates in β ladder)trans-105.1128.5177.5-172.5178.5179.8-178.20110V270 L271V270-K313 CarbonylContact C-O 3.6Å; V270-K313 VanDerWaalsContact CA-O 3.32Å; V270-K313 WeakPolarHBondContact CA-O 3.35Å; L271-K313 PolarHBondContact N-O 3.28Å; L271-K313 PolarHBondContact O-N 3.46Å
314L89.2Confident87.3Confident51 Ų5174.4 Ų74.427%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-69.5136.3174.4-77.6159.6000110.9L262 M264 V270 I284L262-L314 HydrophobicContact CB-CB 4.26Å; M264-L314 HydrophobicContact CB-CD1 4.11Å; M264-L314 HydrophobicContact CG-CD1 4.31Å; M264-L314 HydrophobicContact CG-CD2 4.41Å; V270-L314 HydrophobicContact CG1-CD2 3.92Å; I284-L314 HydrophobicContact CD1-CD2 4.42Å
315V88.4Confident86.7Confident5 Ų579.2 Ų79.23%0.0337%0.369CS..  trans-131.8141.9-175.41750000109.6C269 L271 Y281 E319C269-V315 WeakPolarHBondContact CB-O 3.14Å; C269-V315 PolarHBondContact O-N 3.4Å; C269-V315 VanDerWaalsContact O-O 3.09Å; L271-V315 HydrophobicContact CB-CG2 3.7Å; Y281-V315 HydrophobicContact CD1-CG1 4.48Å; Y281-V315 HydrophobicContact CE1-CB 4.41Å; Y281-V315 HydrophobicContact CE1-CG1 3.97Å; Y281-V315 HydrophobicContact CE1-CG2 4.02Å; V315-E319 HydrophobicContact CG1-CB 3.51Å; V315-E319 HydrophobicContact CG1-CG 3.61Å; V315-E319 WeakPolarHBondContact CG1-OE2 3.46Å
316G88.3Confident85.9Confident21 Ų2180.8 Ų80.822%0.21638%0.377CS..  trans-70.4154.9176.200000113.4K318 E319 Y320G316-K318 PolarHBondContact O-N 3.09Å; G316-E319 PolarHBondContact O-N 3.33Å; G316-E319 VanDerWaalsContact O-N 3.09Å; G316-Y320 PolarHBondContact O-N 3.47Å; G316-Y320 VanDerWaalsContact O-N 3.07Å
317R85.1Confident84.9Confident165 Ų16582.3 Ų82.362%0.62338%0.381SS*.Hα-helixtrans-56-38.7-177.3-169.2-179.5-66-162.3-0.7112.6E260 E319 Y320 E321E260-R317 VanDerWaalsContact OE2-CB 3.3Å; E260-R317 WeakPolarHBondContact OE2-CB 3.33Å; E260-R317 PolarHBondContact OE2-N 3.15Å; R317-E319 PolarHBondContact O-N 2.88Å; R317-Y320 PolarHBondContact O-N 3.27Å; R317-E321 PolarHBondContact O-N 2.83Å
318K85.2Confident83.9Confident130 Ų13084.2 Ų84.257%0.56540%0.397SS*.Hα-helixtrans-65-34.6179.4-64.5-177.1178.9-178.50113.9G316 K322G316-K318 PolarHBondContact O-N 3.09Å; K318-K322 WeakPolarHBondContact O-CD 3.4Å; K318-K322 VanDerWaalsContact O-CG 3.31Å; K318-K322 WeakPolarHBondContact O-CG 3.34Å
319E87.4Confident82.8Confident79 Ų7985.9 Ų85.937%0.36939%0.394SS..Hα-helixtrans-78.6-42.5177.4178.9-173.5158.900110Y281 V315 G316 R317 E321 K322 Y323Y281-E319 HydrophobicContact CE1-CG 4.45Å; Y281-E319 PolarHBondContact OH-OE1 3.11Å; V315-E319 HydrophobicContact CG1-CB 3.51Å; V315-E319 HydrophobicContact CG1-CG 3.61Å; V315-E319 WeakPolarHBondContact CG1-OE2 3.46Å; G316-E319 PolarHBondContact O-N 3.33Å; G316-E319 VanDerWaalsContact O-N 3.09Å; R317-E319 PolarHBondContact O-N 2.88Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.48Å; E319-K322 PolarHBondContact O-N 3.23Å; E319-Y323 HydrophobicContact CG-CD2 3.61Å; E319-Y323 HydrophobicContact CG-CE2 3.96Å; E319-Y323 VanDerWaalsContact O-CD2 3.28Å; E319-Y323 WeakPolarHBondContact O-CD2 3.46Å; E319-Y323 PolarHBondContact O-N 3Å; E319-Y323 VanDerWaalsContact O-N 3.07Å
320Y86.4Confident81.6Confident26 Ų2686.1 Ų86.110%0.10240%0.397CS..Hα-helixtrans-57-47.2176.2-178.7-90.2000111.6C269 Y281 G282 K283 A299 G316 R317 K322 Y323 S324C269-Y320 HydrophobicContact CB-CD2 3.81Å; C269-Y320 HydrophobicContact CB-CG 3.83Å; Y281-Y320 HydrophobicContact CD1-CD2 4.16Å; Y281-Y320 HydrophobicContact CG-CD2 4.41Å; G282-Y320 WeakPolarHBondContact O-CE2 3.4Å; K283-Y320 HydrophobicContact CG-CE1 4.31Å; K283-Y320 HydrophobicContact CG-CE2 4.31Å; A299-Y320 HydrophobicContact CB-CE2 4.3Å; A299-Y320 VanDerWaalsContact CB-OH 3.31Å; A299-Y320 WeakPolarHBondContact CB-OH 3.2Å; G316-Y320 PolarHBondContact O-N 3.47Å; G316-Y320 VanDerWaalsContact O-N 3.07Å; R317-Y320 PolarHBondContact O-N 3.27Å; Y320-K322 VanDerWaalsContact C-N 3.3Å; Y320-K322 PolarHBondContact O-N 3.08Å; Y320-Y323 PolarHBondContact O-N 2.99Å; Y320-S324 WeakPolarHBondContact O-CA 3.38Å; Y320-S324 WeakPolarHBondContact O-CB 3.42Å; Y320-S324 PolarHBondContact O-N 2.66Å; Y320-S324 PolarHBondContact O-OG 3.41Å
321E86.6Confident80.6Confident150 Ų15079.1 Ų79.170%0.70138%0.378SS*.Hα-helixtrans-62.7-36.3-179-171.8162.2-151.500113.1R317 E319R317-E321 PolarHBondContact O-N 2.83Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.48Å
322K83.9Confident79.6Confident147 Ų14789.1 Ų89.164%0.63941%0.413SS*.Hα-helixtrans-72.4-39.6179.7-70.6176.3-176.6-174.80113.2K318 E319 Y320K318-K322 WeakPolarHBondContact O-CD 3.4Å; K318-K322 VanDerWaalsContact O-CG 3.31Å; K318-K322 WeakPolarHBondContact O-CG 3.34Å; E319-K322 PolarHBondContact O-N 3.23Å; Y320-K322 VanDerWaalsContact C-N 3.3Å; Y320-K322 PolarHBondContact O-N 3.08Å
323Y81.3Confident78.5Confident74 Ų7491.7 Ų91.729%0.2944%0.435SS..Hα-helixtrans-113.2-6.2-168.8-56.2-60.8000114.6E319 Y320 K325 D326 R329E319-Y323 HydrophobicContact CG-CD2 3.61Å; E319-Y323 HydrophobicContact CG-CE2 3.96Å; E319-Y323 VanDerWaalsContact O-CD2 3.28Å; E319-Y323 WeakPolarHBondContact O-CD2 3.46Å; E319-Y323 PolarHBondContact O-N 3Å; E319-Y323 VanDerWaalsContact O-N 3.07Å; Y320-Y323 PolarHBondContact O-N 2.99Å; Y323-K325 PolarHBondContact O-N 3.02Å; Y323-D326 PolarHBondContact O-N 3.17Å; Y323-R329 VanDerWaalsContact CD1-NH1 3.26Å; Y323-R329 PolarHBondContact OH-NH2 3.39Å
324S79.4Confident77.2Confident9 Ų987.9 Ų87.96%0.06342%0.42CS..THydrogen-bonded Turntrans-62.2-24.118054.60000114.3A299 I300 Y320A299-S324 WeakPolarHBondContact CB-O 3.35Å; I300-S324 WeakPolarHBondContact CG1-O 3.41Å; Y320-S324 WeakPolarHBondContact O-CA 3.38Å; Y320-S324 WeakPolarHBondContact O-CB 3.42Å; Y320-S324 PolarHBondContact O-N 2.66Å; Y320-S324 PolarHBondContact O-OG 3.41Å
325K78.5Confident76.2Confident179 Ų17990.4 Ų90.478%0.77843%0.429SS*.THydrogen-bonded Turntrans-118.74.5-179-60.8-179.8-176.7176.40113.3Y323 L327Y323-K325 PolarHBondContact O-N 3.02Å; K325-L327 PolarHBondContact O-N 3.08Å
326D74.5Confident75.4Confident54 Ų5496.7 Ų96.729%0.28946%0.457SS..  trans-86.695.4-174-1716.1000111.1Y323 S328Y323-D326 PolarHBondContact O-N 3.17Å; D326-S328 PolarHBondContact O-N 2.8Å; D326-S328 VanDerWaalsContact OD1-CB 3.22Å; D326-S328 WeakPolarHBondContact OD1-CB 3.44Å; D326-S328 PolarHBondContact OD1-N 3.03Å; D326-S328 VanDerWaalsContact OD1-N 3.11Å; D326-S328 PolarHBondContact OD1-OG 2.67Å; D326-S328 PolarHBondContact OD2-OG 3.11Å
327L69.1Low74.9Confident117 Ų117101.8 Ų101.861%0.61347%0.474SS*.G310 helixtrans-70.8-14.6177.7-69165.4000112.9I300 K325 R329 L330I300-L327 HydrophobicContact CD1-CD2 4.19Å; I300-L327 HydrophobicContact CG2-CD2 4.38Å; K325-L327 PolarHBondContact O-N 3.08Å; L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 PolarHBondContact O-N 3.03Å; L327-L330 HydrophobicContact CD2-CD1 4.29Å; L327-L330 PolarHBondContact O-N 3.28Å
328S70.1Confident74.3Confident62 Ų6298 Ų9843%0.43446%0.463SS..G310 helixtrans-64-32.5-176.872.40000112.4D326 L330 S331D326-S328 PolarHBondContact O-N 2.8Å; D326-S328 VanDerWaalsContact OD1-CB 3.22Å; D326-S328 WeakPolarHBondContact OD1-CB 3.44Å; D326-S328 PolarHBondContact OD1-N 3.03Å; D326-S328 VanDerWaalsContact OD1-N 3.11Å; D326-S328 PolarHBondContact OD1-OG 2.67Å; D326-S328 PolarHBondContact OD2-OG 3.11Å; S328-L330 VanDerWaalsContact C-N 3.29Å; S328-L330 PolarHBondContact O-N 2.75Å; S328-S331 VanDerWaalsContact O-CB 3.31Å; S328-S331 WeakPolarHBondContact O-CB 3.45Å; S328-S331 PolarHBondContact O-N 3.36Å; S328-S331 PolarHBondContact O-OG 3.24Å
329R64.8Low73.9Confident90 Ų9097.3 Ų97.334%0.3446%0.46SS..G310 helixtrans-69.6-24.5178.4-72.5-175.8157.8-169.7-4.6113.9Y323 L327 S331Y323-R329 VanDerWaalsContact CD1-NH1 3.26Å; Y323-R329 PolarHBondContact OH-NH2 3.39Å; L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 PolarHBondContact O-N 3.03Å; R329-S331 VanDerWaalsContact C-N 3.31Å
330L62.6Low73.4Confident75 Ų75100.2 Ų100.239%0.39347%0.474SS..G310 helixtrans-85.8-6.5177.9-63170.1000112.2D279 L280 I300 L327 S328D279-L330 HydrophobicContact CB-CD2 4.29Å; L280-L330 HydrophobicContact CD2-CD1 3.73Å; L280-L330 HydrophobicContact CD2-CD2 4.44Å; I300-L330 HydrophobicContact CD1-CD1 4.12Å; L327-L330 HydrophobicContact CD2-CD1 4.29Å; L327-L330 PolarHBondContact O-N 3.28Å; S328-L330 VanDerWaalsContact C-N 3.29Å; S328-L330 PolarHBondContact O-N 2.75Å
331S68.2Low73Confident54 Ų54103.2 Ų103.238%0.37849%0.487SS..SBendtrans-66.4143.5175.474.30000111.6S328 R329 A333 H334 K335S328-S331 VanDerWaalsContact O-CB 3.31Å; S328-S331 WeakPolarHBondContact O-CB 3.45Å; S328-S331 PolarHBondContact O-N 3.36Å; S328-S331 PolarHBondContact O-OG 3.24Å; R329-S331 VanDerWaalsContact C-N 3.31Å; S331-A333 PolarHBondContact O-N 2.93Å; S331-H334 PolarHBondContact O-N 2.94Å; S331-K335 PolarHBondContact O-N 3.41Å; S331-K335 VanDerWaalsContact O-N 3.14Å
332R63.7Low72.5Confident220 Ų220101.6 Ų101.683%0.8348%0.48SS*.Hα-helixtrans-56.1-36.9-178.5-71.1-177.7177.1178.6-0.9112.5K335 E336R332-K335 PolarHBondContact O-N 2.94Å; R332-E336 PolarHBondContact O-N 3.31Å
333A65.8Low72.2Confident71 Ų71101.2 Ų101.259%0.58748%0.478SS*.Hα-helixtrans-65.5-41.5179.500000113.1S331 K335 K337S331-A333 PolarHBondContact O-N 2.93Å; A333-K335 VanDerWaalsContact C-N 3.35Å; A333-K337 PolarHBondContact O-N 3.06Å
334H63.2Low72.2Confident66 Ų66103.5 Ų103.531%0.30649%0.491SS..Hα-helixtrans-70.7-35.1176.9-167.8-82.2000111.4S331 K337 E338S331-H334 PolarHBondContact O-N 2.94Å; H334-K337 PolarHBondContact O-N 3.29Å; H334-E338 PolarHBondContact O-N 3.37Å
335K68.4Low72.1Confident105 Ų105111.6 Ų111.646%0.45752%0.52SS..Hα-helixtrans-67-35.5177.5-163.2169.7-170164.70113S331 R332 A333 K339S331-K335 PolarHBondContact O-N 3.41Å; S331-K335 VanDerWaalsContact O-N 3.14Å; R332-K335 PolarHBondContact O-N 2.94Å; A333-K335 VanDerWaalsContact C-N 3.35Å; K335-K339 VanDerWaalsContact O-CG 3.3Å; K335-K339 WeakPolarHBondContact O-CG 3.32Å; K335-K339 PolarHBondContact O-N 3.37Å
336E71.9Confident71.9Confident136 Ų136108 Ų10864%0.63651%0.507SS*.Hα-helixtrans-70.7-42.5174.4-76.8177.7173.400112R332 E338 K339 E340R332-E336 PolarHBondContact O-N 3.31Å; E336-E338 PolarHBondContact O-N 3.14Å; E336-K339 PolarHBondContact O-N 3.33Å; E336-E340 PolarHBondContact O-N 2.85Å
337K75.8Confident72.1Confident128 Ų128114.4 Ų114.456%0.55753%0.527SS*.Hα-helixtrans-63.1-38.6177.6-168.6173.4-175.41740113.1A333 H334 K341A333-K337 PolarHBondContact O-N 3.06Å; H334-K337 PolarHBondContact O-N 3.29Å; K337-K341 WeakPolarHBondContact O-CG 3.28Å; K337-K341 PolarHBondContact O-N 2.87Å
338E73.8Confident72.5Confident87 Ų87113.8 Ų113.841%0.40752%0.523SS..Hα-helixtrans-70.4-38.2175.3-74.4-66.8118.800112.1H334 E336 E340 K341 E342H334-E338 PolarHBondContact O-N 3.37Å; E336-E338 PolarHBondContact O-N 3.14Å; E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.88Å; E338-K341 PolarHBondContact O-N 2.83Å; E338-K341 IonicContact OE1-NZ 2.66Å; E338-K341 PolarHBondContact OE1-NZ 2.94Å; E338-E342 PolarHBondContact O-N 2.81Å
339K75.6Confident72.6Confident115 Ų115116.1 Ų116.150%0.553%0.527SS..Hα-helixtrans-62.2-36.2173.6-78.8177.4177.7-174.20112.8K335 E336 K343K335-K339 VanDerWaalsContact O-CG 3.3Å; K335-K339 WeakPolarHBondContact O-CG 3.32Å; K335-K339 PolarHBondContact O-N 3.37Å; E336-K339 PolarHBondContact O-N 3.33Å; K339-K343 WeakPolarHBondContact O-CG 3.5Å; K339-K343 PolarHBondContact O-N 2.92Å; K339-K343 VanDerWaalsContact O-N 3.1Å
340E78.4Confident72.9Confident139 Ų139118.5 Ų118.565%0.6554%0.543SS*.Hα-helixtrans-67.3-44.9177.3-169.3173.4-162.600111.4E336 E338 E342 K343 E344E336-E340 PolarHBondContact O-N 2.85Å; E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.88Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.39Å; E340-K343 PolarHBondContact O-N 2.9Å; E340-E344 PolarHBondContact O-N 2.96Å
341K76.7Confident73.4Confident90 Ų90122.3 Ų122.339%0.39156%0.556SS.*Hα-helixtrans-62.5-37.2174.3-69.2176.1-170.9168.50113.1K337 E338 E344 R345K337-K341 WeakPolarHBondContact O-CG 3.28Å; K337-K341 PolarHBondContact O-N 2.87Å; E338-K341 PolarHBondContact O-N 2.83Å; E338-K341 IonicContact OE1-NZ 2.66Å; E338-K341 PolarHBondContact OE1-NZ 2.94Å; K341-E344 PolarHBondContact O-N 2.77Å; K341-R345 WeakPolarHBondContact O-CG 3.24Å; K341-R345 PolarHBondContact O-N 2.96Å
342E76Confident73.2Confident115 Ų115126.6 Ų126.654%0.53757%0.57SS.*Hα-helixtrans-66.4-42.5177-171.4175.2-169.500111.2E338 E340 E344 R345 Q346E338-E342 PolarHBondContact O-N 2.81Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.39Å; E342-E344 VanDerWaalsContact C-N 3.33Å; E342-E344 PolarHBondContact O-N 2.89Å; E342-R345 PolarHBondContact O-N 2.74Å; E342-Q346 WeakPolarHBondContact O-CG 3.3Å; E342-Q346 PolarHBondContact O-N 2.9Å
343K78.3Confident73Confident139 Ų139123.5 Ų123.560%0.60456%0.562SS**Hα-helixtrans-63.2-38.1173.7-74176.3179.1-176.90112.5K339 E340 Q346 R347K339-K343 WeakPolarHBondContact O-CG 3.5Å; K339-K343 PolarHBondContact O-N 2.92Å; K339-K343 VanDerWaalsContact O-N 3.1Å; E340-K343 PolarHBondContact O-N 2.9Å; K343-Q346 PolarHBondContact O-N 2.82Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 2.78Å; K343-R347 VanDerWaalsContact O-N 3.07Å
344E80.8Confident72.6Confident123 Ų123123.6 Ų123.658%0.57556%0.559SS**Hα-helixtrans-66-41.2176.7-168.1178.3-167.100111.8E340 K341 E342 R347 L348E340-E344 PolarHBondContact O-N 2.96Å; K341-E344 PolarHBondContact O-N 2.77Å; E342-E344 VanDerWaalsContact C-N 3.33Å; E342-E344 PolarHBondContact O-N 2.89Å; E344-R347 PolarHBondContact O-N 3Å; E344-L348 HydrophobicContact CG-CD1 4.48Å; E344-L348 PolarHBondContact O-N 2.81Å
345R76.9Confident72.2Confident178 Ų178124.2 Ų124.267%0.67257%0.571SS**Hα-helixtrans-62-44.6173.3-78.6175.8171.3-109-1.1112.6K341 E342 R347 L348 E349K341-R345 WeakPolarHBondContact O-CG 3.24Å; K341-R345 PolarHBondContact O-N 2.96Å; E342-R345 PolarHBondContact O-N 2.74Å; R345-R347 VanDerWaalsContact C-N 3.3Å; R345-R347 PolarHBondContact O-N 3.36Å; R345-L348 PolarHBondContact O-N 3.49Å; R345-E349 PolarHBondContact O-N 2.86Å
346Q74.2Confident71.2Confident105 Ų105124 Ų12449%0.49158%0.582SS.*Hα-helixtrans-60.9-40.1176.9-73.4175.90.700111.8E342 K343 L348 E349 E350E342-Q346 WeakPolarHBondContact O-CG 3.3Å; E342-Q346 PolarHBondContact O-N 2.9Å; K343-Q346 PolarHBondContact O-N 2.82Å; Q346-L348 PolarHBondContact O-N 3.21Å; Q346-E349 PolarHBondContact O-N 3Å; Q346-E350 PolarHBondContact O-N 2.6Å
347R79.6Confident70Confident188 Ų188121.9 Ų121.971%0.70958%0.583SS**Hα-helixtrans-64.4-37.8174.9-76.2177175.1-175.2-1.5113K343 E344 R345 K351K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 2.78Å; K343-R347 VanDerWaalsContact O-N 3.07Å; E344-R347 PolarHBondContact O-N 3Å; R345-R347 VanDerWaalsContact C-N 3.3Å; R345-R347 PolarHBondContact O-N 3.36Å; R347-K351 WeakPolarHBondContact O-CB 3.22Å; R347-K351 PolarHBondContact O-N 2.76Å; R347-K351 VanDerWaalsContact O-N 3.15Å
348L77.5Confident68.6Low103 Ų103122.9 Ų122.954%0.53959%0.594SS.*Hα-helixtrans-67.8-42.8176.1-77.4160.3000111.5E344 R345 Q346 K351 E352E344-L348 HydrophobicContact CG-CD1 4.48Å; E344-L348 PolarHBondContact O-N 2.81Å; R345-L348 PolarHBondContact O-N 3.49Å; Q346-L348 PolarHBondContact O-N 3.21Å; L348-K351 PolarHBondContact O-N 2.91Å; L348-E352 PolarHBondContact O-N 3.04Å
349E71.5Confident67.1Low111 Ų111127.8 Ų127.852%0.51961%0.614SS.*Hα-helixtrans-65.2-38.2177-75.8-178.4-177.400113R345 Q346 K351 K353R345-E349 PolarHBondContact O-N 2.86Å; Q346-E349 PolarHBondContact O-N 3Å; E349-K351 VanDerWaalsContact C-N 3.33Å; E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 2.75Å; E349-K353 VanDerWaalsContact O-N 3.09Å
350E71.4Confident65.8Low141 Ų141128.9 Ų128.966%0.65963%0.63SS**Hα-helixtrans-63.6-40.3172.4-80.3-174.6155.300111.8Q346 K353 S354Q346-E350 PolarHBondContact O-N 2.6Å; E350-K353 PolarHBondContact O-N 2.99Å; E350-S354 PolarHBondContact O-N 2.93Å; E350-S354 VanDerWaalsContact O-N 3.17Å
351K73.1Confident64Low154 Ų154131.3 Ų131.367%0.6764%0.638SS**Hα-helixtrans-67.2-39.6179.4-159.6172.1-177.6-179.90111.8R347 L348 E349 S354 S355R347-K351 WeakPolarHBondContact O-CB 3.22Å; R347-K351 PolarHBondContact O-N 2.76Å; R347-K351 VanDerWaalsContact O-N 3.15Å; L348-K351 PolarHBondContact O-N 2.91Å; E349-K351 VanDerWaalsContact C-N 3.33Å; K351-S354 PolarHBondContact O-N 3.01Å; K351-S354 PolarHBondContact O-OG 3.24Å; K351-S355 PolarHBondContact O-N 2.66Å
352E63.8Low62Low145 Ų145135.9 Ų135.968%0.67866%0.661SS**Hα-helixtrans-66.3-41.5175.1-73.8-157.1155.900112.5L348 S354 S355 S356L348-E352 PolarHBondContact O-N 3.04Å; E352-S354 VanDerWaalsContact C-N 3.26Å; E352-S354 PolarHBondContact O-N 3.42Å; E352-S355 PolarHBondContact O-N 3.4Å; E352-S355 VanDerWaalsContact O-N 3.08Å; E352-S355 PolarHBondContact O-OG 3Å; E352-S356 PolarHBondContact O-N 2.94Å
353K59.2Low60Low154 Ų154140.4 Ų140.467%0.6768%0.679SS**Hα-helixtrans-59.5-35.5175.7-75.6173.5-177.4171.30112.7E349 E350E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 2.75Å; E349-K353 VanDerWaalsContact O-N 3.09Å; E350-K353 PolarHBondContact O-N 2.99Å
354S57.5Low57.9Low74 Ų74139 Ų13952%0.51769%0.687SS.*Hα-helixtrans-72-26176.472.90000114.2E350 K351 E352 S357E350-S354 PolarHBondContact O-N 2.93Å; E350-S354 VanDerWaalsContact O-N 3.17Å; K351-S354 PolarHBondContact O-N 3.01Å; K351-S354 PolarHBondContact O-OG 3.24Å; E352-S354 VanDerWaalsContact C-N 3.26Å; E352-S354 PolarHBondContact O-N 3.42Å; S354-S357 PolarHBondContact O-OG 3.3Å; S354-S357 VanDerWaalsContact O-OG 3.11Å
355S54.8Low55.7Low79 Ų79138.8 Ų138.855%0.55270%0.698SS**Hα-helixtrans-86-16.1-177.8710000114.3K351 E352K351-S355 PolarHBondContact O-N 2.66Å; E352-S355 PolarHBondContact O-N 3.4Å; E352-S355 VanDerWaalsContact O-N 3.08Å; E352-S355 PolarHBondContact O-OG 3Å
356S47.8Very low53.8Low100 Ų100139.3 Ų139.370%0.69971%0.709SS**SBendtrans-81.8-14.9-179.3-178.60000113.7E352E352-S356 PolarHBondContact O-N 2.94Å
357S48.2Very low51.9Low92 Ų92145.7 Ų145.764%0.64373%0.728SS**SBendtrans-87.1-14.1-176.937.40000115S354S354-S357 PolarHBondContact O-OG 3.3Å; S354-S357 VanDerWaalsContact O-OG 3.11Å
358D44.8Very low49.7Very low149 Ų149144.8 Ų144.880%0.79773%0.732SS**SBendtrans-99.311.6-171.3-99.5-34.5000115.4
359K43.9Very low47.6Very low189 Ų189148.7 Ų148.782%0.82275%0.747SS**  trans-114.941.1-176.4-89.5-168179.4-179.70115.1
360V46.8Very low45.7Very low138 Ų138146.9 Ų146.984%0.83676%0.759SS**  trans-145.680162.2-165.80000111.4
361K40.5Very low44Very low190 Ų190149.2 Ų149.283%0.82677%0.767SS**  trans-169.9122.8146.6-110.8169.4-175.4-1800110.7
362H35.8Very low42.3Very low186 Ų186148.1 Ų148.186%0.86177%0.768SS**  trans146.196.9142.2-78.3-68.2000110.5
363K34.4Very low41.1Very low210 Ų210147.8 Ų147.891%0.91377%0.767SS**  trans-146.490.6154-162.3176.1-170.4176.90108.8
364S34.2Very low40.2Very low111 Ų111150.8 Ų150.878%0.77677%0.774SS**  trans178.2140.8141.855.80000112.1
365S33.6Very low39.5Very low117 Ų117156.3 Ų156.382%0.81879%0.788SS**  trans99.9100.9150.886.30000118
366E36.8Very low38.9Very low190 Ų190164.2 Ų164.289%0.88881%0.806SS**  trans-58.5132.2155.6-60.5170133.600110.8
367R33.8Very low38.7Very low239 Ų239169.4 Ų169.490%0.90282%0.816SS**  173.5121128.4-100174.5175.6176.5-1.5111.5
368E34.1Very low38.2Very low169 Ų169172.6 Ų172.679%0.7982%0.821SS**  trans60.9140.6138.6-73.5-67169.300123.7
369E33.7Very low37.8Very low184 Ų184175.5 Ų175.586%0.8682%0.82SS**  trans69.1117.7157-73.6-176.1139.100122.1
370G31.4Very low37.6Very low73 Ų73173.6 Ų173.675%0.75382%0.819SS**  117.798.111500000118
371K35.3Very low36.9Very low191 Ų191171.6 Ų171.683%0.8381%0.811SS**  trans75.6136.2135-86.5179.5174.5177.40122.5
372D38.5Very low37.1Very low131 Ų131167.3 Ų167.370%0.70181%0.805SS**  trans86.194.4142.2-65.4-30.2000120.7
373E38.4Very low37.2Very low138 Ų138167.7 Ų167.765%0.64581%0.807SS**  34.8109.8109.4-75.4-139.9155.200118.4
374R39.3Very low37.6Very low217 Ų217164.3 Ų164.382%0.81980%0.799SS**  157.6129.7105.6-90.6143.6-168.6-1555.8113.5
375K42.2Very low38.1Very low189 Ų189168.9 Ų168.982%0.82280%0.8SS**  trans-1.7136.1143.1-63.1172.4175.9172.20116.2
376R42.3Very low38.4Very low245 Ų245170.4 Ų170.493%0.92580%0.799SS**  -177.8139.7100.9-94.1160.9-174.91742.2112.8
377K44.4Very low38.5Very low209 Ų209170.8 Ų170.891%0.90980%0.797SS**  trans-75.3144.5166.1-67.5174.1170.9179.90110.5
378H38Very low38.9Very low160 Ų160164.2 Ų164.274%0.74179%0.786SS**  trans-169.9114.7139-149.9-98.9000107.7
379R36.5Very low39.5Very low209 Ų209162 Ų16279%0.78979%0.786SS**  63.398.781.1-172.6-176.2-170.1-172.13.5114.2
380D38.4Very low39.9Very low149 Ų149159 Ų15980%0.79778%0.78SS**  trans27.6120.6132.5-158.128.2000120.2
381S32.7Very low40.6Very low96 Ų96165 Ų16567%0.67179%0.785SS**  168.4139112.277.80000113.1
382S44.5Very low41.4Very low100 Ų100164.2 Ų164.270%0.69978%0.784SS**  trans-8.7135.4158.357.90000120.3
383Q39.5Very low41.8Very low194 Ų194162.4 Ų162.491%0.90779%0.788SS**  -168.2140.4116.1-106.3171.73.300113.9
384D42Very low42.3Very low140 Ų140167.5 Ų167.575%0.74980%0.801SS**  trans-56128.4172.4-179.128.8000113.5
385R44.6Very low43.1Very low207 Ų207165.8 Ų165.878%0.78180%0.802SS**  162.5146.4126.9-86.8176.6-178.8-159-0.8113.5
386D40.3Very low43.8Very low149 Ų149161.1 Ų161.180%0.79780%0.799SS**  trans7592.4168.9-59.5-42.7000118.3P388D386-P388 VanDerWaalsContact O-CD 3.29Å; D386-P388 WeakPolarHBondContact O-CD 3.34Å
387K38.9Very low44.8Very low197 Ų197155.4 Ų155.486%0.85779%0.793SS**  trans-76.9111.5170.2-163.6-179.8-167.3-177.30109.4
388P42.4Very low45.8Very low102 Ų102149 Ų14966%0.66278%0.78SS**  trans-72.5152.2166.7-7.325.4000109.2D386 V390D386-P388 VanDerWaalsContact O-CD 3.29Å; D386-P388 WeakPolarHBondContact O-CD 3.34Å; P388-V390 PolarHBondContact O-N 3.49Å
389P46Very low47.4Very low122 Ų122145.3 Ų145.379%0.79277%0.77SS**  trans-61.2135.1179.726.9-32.2000109.3K391P389-K391 PolarHBondContact O-N 3.07Å
390V41.7Very low49.6Very low121 Ų121139.7 Ų139.773%0.73376%0.761SS**  trans-53.2109.5178.1-177.80000107.8P388 E392P388-V390 PolarHBondContact O-N 3.49Å; V390-E392 VanDerWaalsContact C-N 3.27Å; V390-E392 PolarHBondContact O-N 3.24Å
391K45.8Very low52Low199 Ų199133.7 Ų133.787%0.86573%0.73SS**  trans-60.299.3161.2-93.8178.6174.6174.50105.8P389 A393P389-K391 PolarHBondContact O-N 3.07Å; K391-A393 PolarHBondContact O-N 3.02Å
392E51.8Low54.9Low174 Ų174130.5 Ų130.581%0.81370%0.704SS**  trans-48.3118160.4-70-176.4161.900106.7V390 R394V390-E392 VanDerWaalsContact C-N 3.27Å; V390-E392 PolarHBondContact O-N 3.24Å; E392-R394 VanDerWaalsContact C-N 3.33Å; E392-R394 PolarHBondContact O-N 3.11Å
393A47.2Very low57.2Low93 Ų93125.8 Ų125.877%0.76967%0.67SS**  trans-57.7104.7170.900000106.1K391 Q395K391-A393 PolarHBondContact O-N 3.02Å; A393-Q395 PolarHBondContact O-N 3.27Å
394R50.3Low59.8Low245 Ų245119.2 Ų119.293%0.92564%0.64SS**  trans-49.3110171.8-80.6-178.2173.1-170.8-2.8106.6E392 A396E392-R394 VanDerWaalsContact C-N 3.33Å; E392-R394 PolarHBondContact O-N 3.11Å; R394-A396 PolarHBondContact O-N 3.13Å
395Q56.5Low62.3Low182 Ų182118.9 Ų118.985%0.8563%0.628SS**PPolyproline II helixtrans-52.6138.6170.9-67.7-177-5.400107.4A393A393-Q395 PolarHBondContact O-N 3.27Å
396A56.7Low64.6Low90 Ų90110.9 Ų110.974%0.74460%0.601SS**PPolyproline II helixtrans-51.4135.4175.500000108.7R394 A398R394-A396 PolarHBondContact O-N 3.13Å; A396-A398 PolarHBondContact O-N 3.08Å
397P61.9Low67.2Low125 Ų125103.8 Ų103.881%0.81256%0.563SS**PPolyproline II helixtrans-54.7132.1-179.121.5-31.2000109.2
398A66.6Low69.9Low76 Ų7697 Ų9763%0.62853%0.533SS*.PPolyproline II helixtrans-55143.5178.500000109.8A396 F435A396-A398 PolarHBondContact O-N 3.08Å; A398-F435 HydrophobicContact CB-CZ 4.49Å
399P72.1Confident72.4Confident82 Ų8292.1 Ų92.153%0.53250%0.501SS..PPolyproline II helixtrans-56.8146.617924-33.1000110.3S401 F435P399-S401 PolarHBondContact O-N 3.36Å; P399-F435 HydrophobicContact CG-CE1 4.05Å; P399-F435 HydrophobicContact CG-CZ 4.22Å; P399-F435 WeakPolarHBondContact O-CE1 3.22Å; P399-F435 WeakPolarHBondContact O-CZ 3.33Å
400P82.5Confident74.8Confident91 Ų9190.3 Ų90.359%0.59148%0.479SS*.PPolyproline II helixtrans-63.7132-178.925.4-32.7000110.9Q452 L471P400-Q452 PolarHBondContact O-NE2 3.19Å; P400-L471 HydrophobicContact CB-CD2 3.83Å; P400-L471 HydrophobicContact CG-CD2 4.13Å
401S89Confident77.3Confident23 Ų2384.5 Ų84.516%0.16144%0.444CS..  trans-82.8114.3175.8161.60000109.9P399 P434 R475P399-S401 PolarHBondContact O-N 3.36Å; S401-P434 VanDerWaalsContact CB-O 3.3Å; S401-P434 WeakPolarHBondContact CB-O 3.32Å; S401-P434 PolarHBondContact OG-O 2.71Å; S401-R475 PolarHBondContact O-NE 2.76Å; S401-R475 PolarHBondContact O-NH2 3.13Å; S401-R475 PolarHBondContact OG-NH2 2.74Å
402W93.1Very high79.7Confident29 Ų2978.3 Ų78.311%0.1142%0.419CS..  trans-105-11.8178.265.5-110000113Q404 L407 V409 Q452 L455 T457 V470 L471W402-Q404 PolarHBondContact O-N 3.39Å; W402-L407 HydrophobicContact CE3-CD1 4.45Å; W402-L407 HydrophobicContact CZ3-CD1 4.41Å; W402-V409 HydrophobicContact CH2-CG1 4.15Å; W402-V409 HydrophobicContact CZ3-CG1 4.03Å; W402-Q452 HydrophobicContact CD2-CG 4.08Å; W402-Q452 HydrophobicContact CG-CG 4.25Å; W402-Q452 HydrophobicContact CZ2-CG 3.77Å; W402-Q452 VanDerWaalsContact N-OE1 3.09Å; W402-Q452 VanDerWaalsContact NE1-CD 3.32Å; W402-L455 HydrophobicContact CH2-CB 3.78Å; W402-L455 HydrophobicContact CZ2-CB 4.12Å; W402-T457 HydrophobicContact CD2-CG2 4.41Å; W402-T457 HydrophobicContact CE3-CG2 4.01Å; W402-T457 HydrophobicContact CH2-CG2 4.17Å; W402-T457 HydrophobicContact CZ3-CG2 3.89Å; W402-V470 WeakPolarHBondContact CA-O 3.47Å; W402-V470 HydrophobicContact CB-CB 3.91Å; W402-V470 HydrophobicContact CB-CG2 4.04Å; W402-V470 WeakPolarHBondContact O-CB 3.33Å; W402-L471 HydrophobicContact CB-CD1 4.45Å; W402-L471 HydrophobicContact CB-CD2 3.74Å; W402-L471 HydrophobicContact CB-CG 3.81Å
403L93.3Very high81.6Confident0 Ų072 Ų720%039%0.391CS..  trans-62.5126.9-177.4-164.174.1000111.5V428 V431 T436 C437 L455L403-V428 HydrophobicContact CD1-CG2 4.41Å; L403-V431 HydrophobicContact CD2-CB 4.44Å; L403-V431 HydrophobicContact CD2-CG1 3.74Å; L403-V431 HydrophobicContact CD2-CG2 4.07Å; L403-V431 HydrophobicContact CG-CG1 4.27Å; L403-V431 HydrophobicContact CG-CG2 3.95Å; L403-T436 VanDerWaalsContact CD2-C 3.49Å; L403-C437 HydrophobicContact CD1-CB 4.05Å; L403-C437 HydrophobicContact CD2-CB 3.53Å; L403-C437 HydrophobicContact CG-CB 4.09Å; L403-L455 HydrophobicContact CD1-CD1 3.91Å
404Q93.3Very high83.7Confident56 Ų5674 Ų7426%0.26238%0.383SS..  trans-139.1159.9175-69.2-63.3-61.400110.2W402 L407 V428 M468 R475W402-Q404 PolarHBondContact O-N 3.39Å; Q404-L407 HydrophobicContact CB-CD1 3.89Å; Q404-L407 HydrophobicContact CB-CG 4.1Å; Q404-L407 WeakPolarHBondContact O-CG 3.47Å; Q404-V428 WeakPolarHBondContact O-CB 3.39Å; Q404-V428 VanDerWaalsContact O-CG1 3.27Å; Q404-V428 WeakPolarHBondContact O-CG1 3.36Å; Q404-M468 HydrophobicContact CB-SD 3.81Å; Q404-M468 HydrophobicContact CG-SD 4.04Å; Q404-R475 VanDerWaalsContact NE2-NH2 3.14Å
405R93.4Very high85.5Confident134 Ų13466.2 Ų66.251%0.50637%0.371SS..THydrogen-bonded Turntrans-68154.2176.4-62-177.967.1-178.20.1110.5L407 E429 D430 V431R405-L407 PolarHBondContact O-N 3.2Å; R405-L407 VanDerWaalsContact O-N 3.16Å; R405-E429 PolarHBondContact NE-O 2.88Å; R405-E429 PolarHBondContact NH2-O 3.41Å; R405-D430 IonicContact CZ-OD1 3.84Å; R405-D430 IonicContact NE-OD1 2.7Å; R405-V431 HydrophobicContact CG-CB 4.48Å; R405-V431 HydrophobicContact CG-CG2 3.99Å
406D93.9Very high87Confident38 Ų3859.1 Ų59.120%0.20334%0.337CS..THydrogen-bonded Turntrans62.417.9176.1-56.9-53.3000116.2R427 V428 Y513 V514D406-R427 IonicContact OD1-CZ 2.68Å; D406-R427 IonicContact OD1-NE 3.96Å; D406-R427 PolarHBondContact OD1-NE 3.45Å; D406-R427 IonicContact OD1-NH2 2.74Å; D406-R427 PolarHBondContact OD1-NH2 3.45Å; D406-V428 WeakPolarHBondContact CA-O 3.33Å; D406-V428 PolarHBondContact N-O 3.42Å; D406-Y513 HydrophobicContact CB-CD2 4.21Å; D406-Y513 HydrophobicContact CB-CE2 3.73Å; D406-V514 PolarHBondContact O-N 2.74Å
407L95Very high88.4Confident0 Ų060.2 Ų60.20%033%0.325CS..EExtended strand (participates in β ladder)trans-80.8140171.3-63.1-175.1000111.4W402 Q404 R405 V409 R427 V428 M468 V470 C511 H512 Y513W402-L407 HydrophobicContact CE3-CD1 4.45Å; W402-L407 HydrophobicContact CZ3-CD1 4.41Å; Q404-L407 HydrophobicContact CB-CD1 3.89Å; Q404-L407 HydrophobicContact CB-CG 4.1Å; Q404-L407 WeakPolarHBondContact O-CG 3.47Å; R405-L407 PolarHBondContact O-N 3.2Å; R405-L407 VanDerWaalsContact O-N 3.16Å; L407-V409 HydrophobicContact CB-CG1 4.17Å; L407-R427 CarbonylContact O-C 3.51Å; L407-R427 WeakPolarHBondContact O-CA 3.24Å; L407-V428 HydrophobicContact CB-CB 4.47Å; L407-V428 HydrophobicContact CB-CG2 4.22Å; L407-V428 PolarHBondContact O-N 2.87Å; L407-M468 HydrophobicContact CD2-CB 3.86Å; L407-M468 HydrophobicContact CD2-CG 4.38Å; L407-M468 HydrophobicContact CD2-SD 3.96Å; L407-V470 HydrophobicContact CD1-CG1 3.67Å; L407-V470 HydrophobicContact CD2-CG1 4.32Å; L407-C511 HydrophobicContact CD1-CB 4.22Å; L407-C511 HydrophobicContact CD2-CB 4.02Å; L407-H512 CarbonylContact C-O 3.5Å; L407-H512 WeakPolarHBondContact CA-O 3.46Å; L407-Y513 HydrophobicContact CD2-CD2 4.47Å
408K94.9Very high89.4Confident54 Ų5457.9 Ų57.924%0.23532%0.323CS..EExtended strand (participates in β ladder)trans-92.2113.8167.1-166.1166.5-173.3162.70109.6M426 E442 I458 C511 H512 V514K408-M426 CarbonylContact C-O 3.55Å; K408-M426 WeakPolarHBondContact CA-O 3.21Å; K408-E442 IonicContact NZ-OE1 3.37Å; K408-E442 PolarHBondContact NZ-OE1 2.82Å; K408-E442 VanDerWaalsContact NZ-OE1 3.14Å; K408-I458 HydrophobicContact CG-CD1 4.37Å; K408-I458 WeakPolarHBondContact O-CB 3.28Å; K408-C511 PolarHBondContact O-SG 2.87Å; K408-H512 HydrophobicContact CB-CB 4.07Å; K408-H512 PolarHBondContact N-O 2.64Å; K408-V514 HydrophobicContact CB-CG2 3.75Å; K408-V514 HydrophobicContact CD-CG2 4.31Å
409V95.7Very high90.4Very high0 Ų055.3 Ų55.30%031%0.305CS..EExtended strand (participates in β ladder)trans-118.5158.1-173.2-66.70000111W402 L407 K425 M426 V428 L455 E456 I458W402-V409 HydrophobicContact CH2-CG1 4.15Å; W402-V409 HydrophobicContact CZ3-CG1 4.03Å; L407-V409 HydrophobicContact CB-CG1 4.17Å; V409-K425 WeakPolarHBondContact O-CA 3.24Å; V409-M426 HydrophobicContact CG2-CB 4.3Å; V409-M426 PolarHBondContact N-O 3.46Å; V409-M426 PolarHBondContact O-N 2.9Å; V409-V428 HydrophobicContact CG1-CG2 4.02Å; V409-V428 HydrophobicContact CG2-CG2 3.89Å; V409-L455 HydrophobicContact CB-CB 4.37Å; V409-L455 HydrophobicContact CB-CD2 4.3Å; V409-L455 HydrophobicContact CG2-CD1 4.04Å; V409-L455 HydrophobicContact CG2-CD2 3.74Å; V409-L455 HydrophobicContact CG2-CG 4.35Å; V409-E456 WeakPolarHBondContact CA-O 3.15Å; V409-I458 WeakPolarHBondContact O-CD1 3.39Å
410R95.5Very high91.2Very high84 Ų8459.7 Ų59.732%0.31731%0.311SS..EExtended strand (participates in β ladder)trans-102.5131.5171.6178.1179.5-68.6-153.17.3109I412 N423 L455 E456 I458R410-I412 HydrophobicContact CG-CG2 4.24Å; R410-N423 WeakPolarHBondContact CD-OD1 3.07Å; R410-N423 VanDerWaalsContact CZ-OD1 3.26Å; R410-N423 PolarHBondContact NE-OD1 2.99Å; R410-N423 PolarHBondContact NH1-OD1 3.42Å; R410-L455 CarbonylContact O-C 3.56Å; R410-L455 WeakPolarHBondContact O-CA 3.11Å; R410-E456 HydrophobicContact CB-CB 4.27Å; R410-E456 WeakPolarHBondContact CD-OE2 3.41Å; R410-E456 PolarHBondContact N-O 3.22Å; R410-E456 PolarHBondContact O-N 3.31Å; R410-I458 HydrophobicContact CB-CD1 3.87Å; R410-I458 HydrophobicContact CB-CG1 3.88Å
411F95.5Very high91.5Very high0 Ų056.2 Ų56.20%029%0.286CS..EExtended strand (participates in β ladder)trans-84.7126.1176.1-163.8-84.5000110D413 F416 Y421 N423 S424 M426 V450 M454 L455F411-D413 HydrophobicContact CE1-CB 3.69Å; F411-D413 WeakPolarHBondContact CE1-O 3.32Å; F411-D413 HydrophobicContact CZ-CB 4.02Å; F411-F416 HydrophobicContact CE1-CB 3.71Å; F411-F416 AromaticContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CG 4.11Å; F411-F416 HydrophobicContact CE2-CD1 4.06Å; F411-F416 HydrophobicContact CE2-CE1 4.35Å; F411-F416 HydrophobicContact CE2-CG 4.44Å; F411-F416 HydrophobicContact CZ-CB 3.52Å; F411-F416 AromaticContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD2 4.31Å; F411-F416 HydrophobicContact CZ-CE1 4.07Å; F411-F416 AromaticContact CZ-CG 3.49Å; F411-F416 HydrophobicContact CZ-CG 3.49Å; F411-F416 VanDerWaalsContact CZ-CG 3.49Å; F411-Y421 WeakPolarHBondContact CB-O 3.41Å; F411-N423 VanDerWaalsContact O-CA 3.24Å; F411-N423 WeakPolarHBondContact O-CA 3.27Å; F411-N423 PolarHBondContact O-N 2.99Å; F411-S424 PolarHBondContact N-O 2.7Å; F411-M426 HydrophobicContact CB-CE 3.98Å; F411-M426 HydrophobicContact CB-SD 4.09Å; F411-M426 HydrophobicContact CD2-CE 4.22Å; F411-M426 HydrophobicContact CD2-SD 3.94Å; F411-M426 HydrophobicContact CG-CE 4.13Å; F411-M426 HydrophobicContact CG-SD 4.3Å; F411-V450 HydrophobicContact CD2-CG1 4.23Å; F411-V450 HydrophobicContact CE2-CG1 3.77Å; F411-V450 HydrophobicContact CE2-CG2 4.26Å; F411-M454 HydrophobicContact CE2-CB 4.01Å; F411-M454 HydrophobicContact CZ-CB 4Å; F411-M454 HydrophobicContact CZ-SD 4.37Å; F411-L455 HydrophobicContact CB-CD2 4.44Å; F411-L455 HydrophobicContact CD2-CD2 3.71Å; F411-L455 HydrophobicContact CE2-CD2 4.42Å; F411-L455 HydrophobicContact CG-CD2 4.47Å
412I94.9Very high91.7Very high68 Ų6860.2 Ų60.235%0.34930%0.298SS..  trans-118-6-171.958.9163.8000114.1R410 Y422 M454 E456R410-I412 HydrophobicContact CG-CG2 4.24Å; I412-Y422 VanDerWaalsContact O-CD2 3.24Å; I412-Y422 WeakPolarHBondContact O-CD2 3.48Å; I412-Y422 WeakPolarHBondContact O-CE2 3.3Å; I412-M454 VanDerWaalsContact CG1-C 3.49Å; I412-M454 VanDerWaalsContact CG1-O 3.28Å; I412-M454 WeakPolarHBondContact CG1-O 3.31Å; I412-M454 PolarHBondContact N-O 3.36Å; I412-E456 HydrophobicContact CG2-CB 3.77Å
413D92.7Very high91.7Very high42 Ų4262.9 Ų62.923%0.22531%0.314CS..  trans-79.3128.9178.8-172.614.4000111.8F411 A415 F416 M454F411-D413 HydrophobicContact CE1-CB 3.69Å; F411-D413 WeakPolarHBondContact CE1-O 3.32Å; F411-D413 HydrophobicContact CZ-CB 4.02Å; D413-A415 PolarHBondContact OD1-N 3.27Å; D413-F416 HydrophobicContact CB-CB 4.18Å; D413-F416 WeakPolarHBondContact OD2-CB 3.5Å; D413-F416 PolarHBondContact OD2-N 3.29Å; D413-M454 HydrophobicContact CB-CB 3.92Å; D413-M454 HydrophobicContact CB-CG 3.85Å
414K92Very high91.7Very high135 Ų13565 Ų6559%0.58733%0.329SS*.SBendtrans-87.6-22.3176.7-66.5179.9-178.5177.20112.4G419 Y422K414-G419 WeakPolarHBondContact O-CA 3.37Å; K414-G419 PolarHBondContact O-N 2.97Å; K414-G419 VanDerWaalsContact O-N 3.11Å; K414-Y422 HydrophobicContact CB-CD2 4.34Å; K414-Y422 HydrophobicContact CD-CD2 4.31Å; K414-Y422 HydrophobicContact CD-CE2 4.02Å; K414-Y422 VanDerWaalsContact CE-OH 3.24Å; K414-Y422 WeakPolarHBondContact CE-OH 3.49Å; K414-Y422 HydrophobicContact CG-CD1 4.45Å; K414-Y422 HydrophobicContact CG-CD2 3.27Å; K414-Y422 HydrophobicContact CG-CE2 3.41Å; K414-Y422 VanDerWaalsContact CG-CE2 3.41Å; K414-Y422 HydrophobicContact CG-CG 3.83Å
415A87.9Confident91.8Very high82 Ų8267 Ų6768%0.67834%0.337SS*.SBendtrans-83-32.6-177.600000111.9D413 K417 G418D413-A415 PolarHBondContact OD1-N 3.27Å; A415-K417 PolarHBondContact O-N 3.37Å; A415-G418 PolarHBondContact O-N 3.04Å
416F87.2Confident91.8Very high33 Ų3360.7 Ų60.715%0.14531%0.314CS..G310 helixtrans-61125.3-178-169.1-100.4000112.7F411 D413 G418 G419 Y421 L447 V450 M454F411-F416 HydrophobicContact CE1-CB 3.71Å; F411-F416 AromaticContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CG 4.11Å; F411-F416 HydrophobicContact CE2-CD1 4.06Å; F411-F416 HydrophobicContact CE2-CE1 4.35Å; F411-F416 HydrophobicContact CE2-CG 4.44Å; F411-F416 HydrophobicContact CZ-CB 3.52Å; F411-F416 AromaticContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD2 4.31Å; F411-F416 HydrophobicContact CZ-CE1 4.07Å; F411-F416 AromaticContact CZ-CG 3.49Å; F411-F416 HydrophobicContact CZ-CG 3.49Å; F411-F416 VanDerWaalsContact CZ-CG 3.49Å; D413-F416 HydrophobicContact CB-CB 4.18Å; D413-F416 WeakPolarHBondContact OD2-CB 3.5Å; D413-F416 PolarHBondContact OD2-N 3.29Å; F416-G418 PolarHBondContact O-N 3.46Å; F416-G419 PolarHBondContact O-N 2.7Å; F416-Y421 HydrophobicContact CD1-CD2 4.37Å; F416-L447 HydrophobicContact CE1-CD1 4.48Å; F416-V450 HydrophobicContact CZ-CG2 4.27Å; F416-M454 HydrophobicContact CD2-CE 4.37Å; F416-M454 HydrophobicContact CD2-SD 4.13Å
417K85.8Confident91.9Very high113 Ų11363.6 Ų63.649%0.49132%0.322SS..G310 helixtrans46.237.9-179.8-64.1-175.5178.6-174.90113.3A415 G419 Y421 L447A415-K417 PolarHBondContact O-N 3.37Å; K417-G419 VanDerWaalsContact C-N 3.34Å; K417-G419 PolarHBondContact O-N 3.26Å; K417-Y421 HydrophobicContact CB-CD2 4.12Å; K417-Y421 HydrophobicContact CB-CE2 4.02Å; K417-Y421 HydrophobicContact CD-CD2 4.25Å; K417-Y421 HydrophobicContact CD-CE2 3.67Å; K417-Y421 HydrophobicContact CG-CE2 4.43Å; K417-L447 HydrophobicContact CD-CD2 4.03Å
418G83.8Confident91.9Very high75 Ų7563.6 Ų63.677%0.77332%0.322SS*.G310 helixtrans7125.2178.700000114.3A415 F416 R420A415-G418 PolarHBondContact O-N 3.04Å; F416-G418 PolarHBondContact O-N 3.46Å; G418-R420 PolarHBondContact O-N 3.06Å
419G87.2Confident91.9Very high23 Ų2363.7 Ų63.724%0.23732%0.323CS..G310 helixtrans75.45.1175.800000114.8K414 F416 K417 Y421 Y422K414-G419 WeakPolarHBondContact O-CA 3.37Å; K414-G419 PolarHBondContact O-N 2.97Å; K414-G419 VanDerWaalsContact O-N 3.11Å; F416-G419 PolarHBondContact O-N 2.7Å; K417-G419 VanDerWaalsContact C-N 3.34Å; K417-G419 PolarHBondContact O-N 3.26Å; G419-Y421 PolarHBondContact O-N 3.04Å; G419-Y421 VanDerWaalsContact O-N 3.07Å; G419-Y422 VanDerWaalsContact O-CB 3.27Å; G419-Y422 WeakPolarHBondContact O-CB 3.41Å; G419-Y422 PolarHBondContact O-N 3.22Å
420R87.8Confident91.7Very high174 Ų17466.7 Ų66.766%0.65734%0.339SS*.THydrogen-bonded Turntrans-52.7-33.6179.9-177.4-177.3-63.5176.3-0.8113.3G418G418-R420 PolarHBondContact O-N 3.06Å
421Y89.8Confident91.6Very high18 Ų1864.5 Ų64.57%0.07134%0.335CS..THydrogen-bonded Turntrans-100.73.6-174.8-62.1-65.9000113.4F411 F416 K417 G419 N423 S424 M426 T441 L447F411-Y421 WeakPolarHBondContact CB-O 3.41Å; F416-Y421 HydrophobicContact CD1-CD2 4.37Å; K417-Y421 HydrophobicContact CB-CD2 4.12Å; K417-Y421 HydrophobicContact CB-CE2 4.02Å; K417-Y421 HydrophobicContact CD-CD2 4.25Å; K417-Y421 HydrophobicContact CD-CE2 3.67Å; K417-Y421 HydrophobicContact CG-CE2 4.43Å; G419-Y421 PolarHBondContact O-N 3.04Å; G419-Y421 VanDerWaalsContact O-N 3.07Å; Y421-N423 PolarHBondContact O-N 2.95Å; Y421-S424 WeakPolarHBondContact O-CB 3.22Å; Y421-S424 PolarHBondContact O-N 2.84Å; Y421-S424 VanDerWaalsContact O-N 3.08Å; Y421-S424 PolarHBondContact O-OG 3.15Å; Y421-M426 VanDerWaalsContact CB-CE 3.47Å; Y421-M426 HydrophobicContact CD1-CE 3.51Å; Y421-M426 HydrophobicContact CE1-CE 4.48Å; Y421-M426 HydrophobicContact CG-CE 3.64Å; Y421-T441 HydrophobicContact CD1-CG2 4.12Å; Y421-T441 HydrophobicContact CE1-CG2 3.81Å; Y421-L447 HydrophobicContact CD1-CD1 4.13Å; Y421-L447 HydrophobicContact CD2-CD1 4.1Å; Y421-L447 HydrophobicContact CD2-CD2 4.42Å; Y421-L447 HydrophobicContact CE1-CD1 4.26Å; Y421-L447 HydrophobicContact CE2-CD1 4.24Å; Y421-L447 HydrophobicContact CE2-CD2 3.82Å; Y421-L447 HydrophobicContact CG-CD1 4.05Å
422Y93.3Very high91.4Very high106 Ų10669 Ų6942%0.41636%0.359SS..THydrogen-bonded Turntrans-58.2133.9-180179.2-103.2000110.9I412 K414 G419 S424I412-Y422 VanDerWaalsContact O-CD2 3.24Å; I412-Y422 WeakPolarHBondContact O-CD2 3.48Å; I412-Y422 WeakPolarHBondContact O-CE2 3.3Å; K414-Y422 HydrophobicContact CB-CD2 4.34Å; K414-Y422 HydrophobicContact CD-CD2 4.31Å; K414-Y422 HydrophobicContact CD-CE2 4.02Å; K414-Y422 VanDerWaalsContact CE-OH 3.24Å; K414-Y422 WeakPolarHBondContact CE-OH 3.49Å; K414-Y422 HydrophobicContact CG-CD1 4.45Å; K414-Y422 HydrophobicContact CG-CD2 3.27Å; K414-Y422 HydrophobicContact CG-CE2 3.41Å; K414-Y422 VanDerWaalsContact CG-CE2 3.41Å; K414-Y422 HydrophobicContact CG-CG 3.83Å; G419-Y422 VanDerWaalsContact O-CB 3.27Å; G419-Y422 WeakPolarHBondContact O-CB 3.41Å; G419-Y422 PolarHBondContact O-N 3.22Å; Y422-S424 PolarHBondContact O-N 2.89Å; Y422-S424 VanDerWaalsContact O-N 3.13Å
423N92.3Very high91.1Very high85 Ų8569 Ų6946%0.45536%0.361SS..THydrogen-bonded Turntrans58.717-177.3-160.219.9000115R410 F411 Y421R410-N423 WeakPolarHBondContact CD-OD1 3.07Å; R410-N423 VanDerWaalsContact CZ-OD1 3.26Å; R410-N423 PolarHBondContact NE-OD1 2.99Å; R410-N423 PolarHBondContact NH1-OD1 3.42Å; F411-N423 VanDerWaalsContact O-CA 3.24Å; F411-N423 WeakPolarHBondContact O-CA 3.27Å; F411-N423 PolarHBondContact O-N 2.99Å; Y421-N423 PolarHBondContact O-N 2.95Å
424S93.6Very high90.9Very high45 Ų4570.5 Ų70.532%0.31537%0.374SS..  trans-87.9146.4177.5-60.10000111.1F411 Y421 Y422F411-S424 PolarHBondContact N-O 2.7Å; Y421-S424 WeakPolarHBondContact O-CB 3.22Å; Y421-S424 PolarHBondContact O-N 2.84Å; Y421-S424 VanDerWaalsContact O-N 3.08Å; Y421-S424 PolarHBondContact O-OG 3.15Å; Y422-S424 PolarHBondContact O-N 2.89Å; Y422-S424 VanDerWaalsContact O-N 3.13Å
425K94.7Very high90.8Very high98 Ų9867.4 Ų67.443%0.42636%0.361SS..EExtended strand (participates in β ladder)trans-84.7141.6174.7-59.5178.7-171165.10109.9V409 I458V409-K425 WeakPolarHBondContact O-CA 3.24Å; K425-I458 HydrophobicContact CB-CD1 4.36Å; K425-I458 HydrophobicContact CD-CD1 4.36Å; K425-I458 HydrophobicContact CG-CD1 3.89Å
426M94.9Very high91.1Very high2 Ų264.8 Ų64.81%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-143.1158-179-59.7-175.417700110.4K408 V409 F411 Y421 C439 R440 T441 L447K408-M426 CarbonylContact C-O 3.55Å; K408-M426 WeakPolarHBondContact CA-O 3.21Å; V409-M426 HydrophobicContact CG2-CB 4.3Å; V409-M426 PolarHBondContact N-O 3.46Å; V409-M426 PolarHBondContact O-N 2.9Å; F411-M426 HydrophobicContact CB-CE 3.98Å; F411-M426 HydrophobicContact CB-SD 4.09Å; F411-M426 HydrophobicContact CD2-CE 4.22Å; F411-M426 HydrophobicContact CD2-SD 3.94Å; F411-M426 HydrophobicContact CG-CE 4.13Å; F411-M426 HydrophobicContact CG-SD 4.3Å; Y421-M426 VanDerWaalsContact CB-CE 3.47Å; Y421-M426 HydrophobicContact CD1-CE 3.51Å; Y421-M426 HydrophobicContact CE1-CE 4.48Å; Y421-M426 HydrophobicContact CG-CE 3.64Å; M426-C439 HydrophobicContact CB-CB 4.18Å; M426-C439 HydrophobicContact SD-CB 4.01Å; M426-R440 WeakPolarHBondContact CA-O 3.27Å; M426-T441 HydrophobicContact CE-CG2 3.9Å; M426-T441 HydrophobicContact SD-CG2 4.42Å; M426-L447 HydrophobicContact CE-CD1 3.34Å; M426-L447 HydrophobicContact SD-CD1 3.57Å; M426-L447 VanDerWaalsContact SD-CD1 3.57Å
427R95.2Very high91.4Very high98 Ų9863.2 Ų63.237%0.3733%0.329SS..EExtended strand (participates in β ladder)trans-105131.8171.3178.4177.6174171.10.5109.3D406 L407 E429 C439 R440 V514D406-R427 IonicContact OD1-CZ 2.68Å; D406-R427 IonicContact OD1-NE 3.96Å; D406-R427 PolarHBondContact OD1-NE 3.45Å; D406-R427 IonicContact OD1-NH2 2.74Å; D406-R427 PolarHBondContact OD1-NH2 3.45Å; L407-R427 CarbonylContact O-C 3.51Å; L407-R427 WeakPolarHBondContact O-CA 3.24Å; R427-E429 PolarHBondContact O-N 3.01Å; R427-C439 CarbonylContact O-C 3.51Å; R427-C439 WeakPolarHBondContact O-CA 3.15Å; R427-R440 PolarHBondContact N-O 3.14Å; R427-R440 PolarHBondContact O-N 2.98Å; R427-V514 PolarHBondContact NH2-O 2.63Å
428V95.8Very high91.9Very high0 Ų058.6 Ų58.60%031%0.311CS..EExtended strand (participates in β ladder)trans-74118.4169.8-177.80000108.1L403 Q404 D406 L407 V409 V431 C437L403-V428 HydrophobicContact CD1-CG2 4.41Å; Q404-V428 WeakPolarHBondContact O-CB 3.39Å; Q404-V428 VanDerWaalsContact O-CG1 3.27Å; Q404-V428 WeakPolarHBondContact O-CG1 3.36Å; D406-V428 WeakPolarHBondContact CA-O 3.33Å; D406-V428 PolarHBondContact N-O 3.42Å; L407-V428 HydrophobicContact CB-CB 4.47Å; L407-V428 HydrophobicContact CB-CG2 4.22Å; L407-V428 PolarHBondContact O-N 2.87Å; V409-V428 HydrophobicContact CG1-CG2 4.02Å; V409-V428 HydrophobicContact CG2-CG2 3.89Å; V428-V431 HydrophobicContact CG1-CG2 3.93Å; V428-C437 HydrophobicContact CG1-CB 3.76Å
429E94.1Very high92.4Very high57 Ų5755 Ų5527%0.26627%0.274SS..EExtended strand (participates in β ladder)trans-94.6-44.3-179-173.6165.6171.100111.2R405 R427 V438 R440 L446R405-E429 PolarHBondContact NE-O 2.88Å; R405-E429 PolarHBondContact NH2-O 3.41Å; R427-E429 PolarHBondContact O-N 3.01Å; E429-V438 PolarHBondContact N-O 3.36Å; E429-R440 IonicContact OE1-CZ 3.8Å; E429-R440 IonicContact OE1-NE 2.96Å; E429-R440 IonicContact OE1-NH2 3.2Å; E429-R440 PolarHBondContact OE1-NH2 3.43Å; E429-R440 IonicContact OE2-CZ 2.81Å; E429-R440 IonicContact OE2-NE 3.63Å; E429-R440 PolarHBondContact OE2-NE 3.02Å; E429-R440 IonicContact OE2-NH2 3.54Å; E429-R440 PolarHBondContact OE2-NH2 3.31Å; E429-L446 WeakPolarHBondContact OE2-CD2 3.12Å
430D92.8Very high92.8Very high63 Ų6359.1 Ų59.134%0.33728%0.282SS..EExtended strand (participates in β ladder)trans-143.1154.4177.5-161.218.2000112.4R405 C437 V438R405-D430 IonicContact CZ-OD1 3.84Å; R405-D430 IonicContact NE-OD1 2.7Å; D430-C437 CarbonylContact O-C 3.46Å; D430-C437 VanDerWaalsContact O-CA 3.23Å; D430-C437 WeakPolarHBondContact O-CA 3.5Å; D430-C437 WeakPolarHBondContact O-CB 3Å; D430-V438 HydrophobicContact CB-CB 4.49Å; D430-V438 PolarHBondContact N-O 3.37Å; D430-V438 PolarHBondContact O-N 2.99Å
431V92.7Very high93.1Very high38 Ų3851.4 Ų51.423%0.2325%0.254CS..EExtended strand (participates in β ladder)trans-119.2104179.91780000108.2L403 R405 V428 T433 C437L403-V431 HydrophobicContact CD2-CB 4.44Å; L403-V431 HydrophobicContact CD2-CG1 3.74Å; L403-V431 HydrophobicContact CD2-CG2 4.07Å; L403-V431 HydrophobicContact CG-CG1 4.27Å; L403-V431 HydrophobicContact CG-CG2 3.95Å; R405-V431 HydrophobicContact CG-CB 4.48Å; R405-V431 HydrophobicContact CG-CG2 3.99Å; V428-V431 HydrophobicContact CG1-CG2 3.93Å; V431-T433 WeakPolarHBondContact CG1-O 3.43Å; V431-C437 HydrophobicContact CG2-CB 4.49Å
432L90.9Very high93.1Very high95 Ų9557.2 Ų57.250%0.49728%0.282SS..EExtended strand (participates in β ladder)trans-77-41.8-176.5-59.6176.6000111.8T436 V438L432-T436 PolarHBondContact N-O 3.41Å; L432-V438 HydrophobicContact CD1-CG2 3.98Å; L432-V438 HydrophobicContact CD2-CG2 4.42Å; L432-V438 HydrophobicContact CG-CG2 4.13Å
433T88.4Confident92.8Very high66 Ų6658.8 Ų58.841%0.40529%0.293SS..EExtended strand (participates in β ladder)trans-135.4165.2174.478.10000109V431 F435 T436V431-T433 WeakPolarHBondContact CG1-O 3.43Å; T433-F435 PolarHBondContact O-N 2.68Å; T433-F435 PolarHBondContact OG1-N 3.06Å; T433-T436 WeakPolarHBondContact CB-OG1 3.36Å; T433-T436 WeakPolarHBondContact CG2-OG1 3.41Å; T433-T436 PolarHBondContact N-O 3.46Å; T433-T436 VanDerWaalsContact N-O 3.17Å; T433-T436 PolarHBondContact N-OG1 3.47Å; T433-T436 PolarHBondContact O-N 3.26Å; T433-T436 WeakPolarHBondContact OG1-CB 3.24Å; T433-T436 PolarHBondContact OG1-N 3.01Å; T433-T436 VanDerWaalsContact OG1-N 3.17Å; T433-T436 PolarHBondContact OG1-OG1 3.11Å
434P88Confident92.6Very high75 Ų7557 Ų5749%0.48729%0.294SS..THydrogen-bonded Turntrans-54-19.6179.4-27.135.6000114.8S401S401-P434 VanDerWaalsContact CB-O 3.3Å; S401-P434 WeakPolarHBondContact CB-O 3.32Å; S401-P434 PolarHBondContact OG-O 2.71Å
435F91.1Very high92.5Very high70 Ų7061 Ų6131%0.30730%0.303SS..THydrogen-bonded Turntrans-121.83.5-178.9-53.2-69.5000114.1A398 P399 T433 K451 Q452A398-F435 HydrophobicContact CB-CZ 4.49Å; P399-F435 HydrophobicContact CG-CE1 4.05Å; P399-F435 HydrophobicContact CG-CZ 4.22Å; P399-F435 WeakPolarHBondContact O-CE1 3.22Å; P399-F435 WeakPolarHBondContact O-CZ 3.33Å; T433-F435 PolarHBondContact O-N 2.68Å; T433-F435 PolarHBondContact OG1-N 3.06Å; F435-K451 CarbonylContact O-C 3.57Å; F435-K451 VanDerWaalsContact O-CA 3.31Å; F435-K451 WeakPolarHBondContact O-CA 3.22Å; F435-Q452 HydrophobicContact CB-CB 4.49Å; F435-Q452 PolarHBondContact O-N 2.9Å
436T93.8Very high92.4Very high27 Ų2760.4 Ų60.417%0.16630%0.304CS..EExtended strand (participates in β ladder)trans-133.4133.8-179.663.90000111.9L403 L432 T433 V450 K451L403-T436 VanDerWaalsContact CD2-C 3.49Å; L432-T436 PolarHBondContact N-O 3.41Å; T433-T436 WeakPolarHBondContact CB-OG1 3.36Å; T433-T436 WeakPolarHBondContact CG2-OG1 3.41Å; T433-T436 PolarHBondContact N-O 3.46Å; T433-T436 VanDerWaalsContact N-O 3.17Å; T433-T436 PolarHBondContact N-OG1 3.47Å; T433-T436 PolarHBondContact O-N 3.26Å; T433-T436 WeakPolarHBondContact OG1-CB 3.24Å; T433-T436 PolarHBondContact OG1-N 3.01Å; T433-T436 VanDerWaalsContact OG1-N 3.17Å; T433-T436 PolarHBondContact OG1-OG1 3.11Å; T436-V450 CarbonylContact C-O 3.51Å; T436-V450 VanDerWaalsContact CA-O 3.3Å; T436-V450 WeakPolarHBondContact CA-O 3.42Å; T436-K451 HydrophobicContact CG2-CG 4.32Å
437C94.1Very high92.3Very high0 Ų060.4 Ų60.40%030%0.304CS..EExtended strand (participates in β ladder)trans-129.5165.7179.948.90000112.4L403 V428 D430 V431 V450 L455L403-C437 HydrophobicContact CD1-CB 4.05Å; L403-C437 HydrophobicContact CD2-CB 3.53Å; L403-C437 HydrophobicContact CG-CB 4.09Å; V428-C437 HydrophobicContact CG1-CB 3.76Å; D430-C437 CarbonylContact O-C 3.46Å; D430-C437 VanDerWaalsContact O-CA 3.23Å; D430-C437 WeakPolarHBondContact O-CA 3.5Å; D430-C437 WeakPolarHBondContact O-CB 3Å; V431-C437 HydrophobicContact CG2-CB 4.49Å; C437-V450 PolarHBondContact N-O 3.47Å; C437-V450 PolarHBondContact O-N 3.07Å; C437-V450 PolarHBondContact SG-O 2.97Å; C437-V450 VanDerWaalsContact SG-O 3.32Å; C437-L455 VanDerWaalsContact SG-CD1 3.58Å
438V95.9Very high92.2Very high16 Ų1660.3 Ų60.310%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-99.2124.7160.5-178.10000108.2E429 D430 L432 L446 L447 D448E429-V438 PolarHBondContact N-O 3.36Å; D430-V438 HydrophobicContact CB-CB 4.49Å; D430-V438 PolarHBondContact N-O 3.37Å; D430-V438 PolarHBondContact O-N 2.99Å; L432-V438 HydrophobicContact CD1-CG2 3.98Å; L432-V438 HydrophobicContact CD2-CG2 4.42Å; L432-V438 HydrophobicContact CG-CG2 4.13Å; V438-L446 HydrophobicContact CG1-CB 4.39Å; V438-L447 WeakPolarHBondContact CA-O 3.5Å; V438-D448 WeakPolarHBondContact CG1-OD1 3.13Å
439C94.9Very high92Very high0 Ų065.7 Ų65.70%034%0.34CS..EExtended strand (participates in β ladder)trans-112135.6179.8-72.30000111.2M426 R427 L446 L447 V450M426-C439 HydrophobicContact CB-CB 4.18Å; M426-C439 HydrophobicContact SD-CB 4.01Å; R427-C439 CarbonylContact O-C 3.51Å; R427-C439 WeakPolarHBondContact O-CA 3.15Å; C439-L446 CarbonylContact O-C 3.52Å; C439-L447 HydrophobicContact CB-CB 4.44Å; C439-L447 PolarHBondContact N-O 3.32Å; C439-L447 WeakPolarHBondContact O-CB 3.44Å; C439-L447 PolarHBondContact O-N 3.12Å; C439-V450 HydrophobicContact CB-CG2 4.29Å
440R95Very high92Very high109 Ų10963 Ų6341%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-96.3127.8170.8-171.2-179.8-68.7-164.2-5110.3M426 R427 E429 R445 L446M426-R440 WeakPolarHBondContact CA-O 3.27Å; R427-R440 PolarHBondContact N-O 3.14Å; R427-R440 PolarHBondContact O-N 2.98Å; E429-R440 IonicContact OE1-CZ 3.8Å; E429-R440 IonicContact OE1-NE 2.96Å; E429-R440 IonicContact OE1-NH2 3.2Å; E429-R440 PolarHBondContact OE1-NH2 3.43Å; E429-R440 IonicContact OE2-CZ 2.81Å; E429-R440 IonicContact OE2-NE 3.63Å; E429-R440 PolarHBondContact OE2-NE 3.02Å; E429-R440 IonicContact OE2-NH2 3.54Å; E429-R440 PolarHBondContact OE2-NH2 3.31Å; R440-R445 CarbonylContact C-O 3.55Å; R440-R445 WeakPolarHBondContact CA-O 3.24Å; R440-L446 HydrophobicContact CB-CD2 3.82Å; R440-L446 HydrophobicContact CG-CD2 3.9Å
441T93.9Very high92Very high12 Ų1265.7 Ų65.77%0.07434%0.336CS..EExtended strand (participates in β ladder)trans-75.8164.8173.3700000111.4Y421 M426 E443 G444 R445 L447Y421-T441 HydrophobicContact CD1-CG2 4.12Å; Y421-T441 HydrophobicContact CE1-CG2 3.81Å; M426-T441 HydrophobicContact CE-CG2 3.9Å; M426-T441 HydrophobicContact SD-CG2 4.42Å; T441-E443 PolarHBondContact O-N 3.05Å; T441-E443 PolarHBondContact OG1-N 2.67Å; T441-G444 PolarHBondContact O-N 2.75Å; T441-R445 HydrophobicContact CG2-CB 4.38Å; T441-R445 PolarHBondContact N-O 2.95Å; T441-R445 WeakPolarHBondContact OG1-CB 3.37Å; T441-R445 PolarHBondContact OG1-N 3.35Å; T441-R445 VanDerWaalsContact OG1-N 3.11Å; T441-R445 PolarHBondContact OG1-O 3.35Å; T441-L447 HydrophobicContact CG2-CD1 3.79Å; T441-L447 HydrophobicContact CG2-CG 4.07Å
442E88.9Confident92.1Very high140 Ų14064.4 Ų64.465%0.65433%0.327SS*.THydrogen-bonded Turntrans-63-23.5173.8-64.2-171.9158.600112.4K408 G444K408-E442 IonicContact NZ-OE1 3.37Å; K408-E442 PolarHBondContact NZ-OE1 2.82Å; K408-E442 VanDerWaalsContact NZ-OE1 3.14Å; E442-G444 PolarHBondContact O-N 2.93Å
443E88.4Confident92.1Very high138 Ų13866.4 Ų66.465%0.64534%0.338SS*.THydrogen-bonded Turntrans-76.3-2.2171.9-57.5176.6171.200113.6T441 R445T441-E443 PolarHBondContact O-N 3.05Å; T441-E443 PolarHBondContact OG1-N 2.67Å; E443-R445 IonicContact OE2-CZ 3.41Å; E443-R445 IonicContact OE2-NE 2.7Å; E443-R445 IonicContact OE2-NH1 3.29Å; E443-R445 PolarHBondContact OE2-NH1 2.92Å
444G88Confident92.4Very high47 Ų4764.8 Ų64.849%0.48533%0.326SS..SBendtrans80.510.6-177.600000115T441 E442T441-G444 PolarHBondContact O-N 2.75Å; E442-G444 PolarHBondContact O-N 2.93Å
445R91.4Very high92.7Very high130 Ų13061.6 Ų61.649%0.49131%0.305SS..  trans-82.6138176.2-64.3177.7170.9153.4-7.1110.6R440 T441 E443R440-R445 CarbonylContact C-O 3.55Å; R440-R445 WeakPolarHBondContact CA-O 3.24Å; T441-R445 HydrophobicContact CG2-CB 4.38Å; T441-R445 PolarHBondContact N-O 2.95Å; T441-R445 WeakPolarHBondContact OG1-CB 3.37Å; T441-R445 PolarHBondContact OG1-N 3.35Å; T441-R445 VanDerWaalsContact OG1-N 3.11Å; T441-R445 PolarHBondContact OG1-O 3.35Å; E443-R445 IonicContact OE2-CZ 3.41Å; E443-R445 IonicContact OE2-NE 2.7Å; E443-R445 IonicContact OE2-NH1 3.29Å; E443-R445 PolarHBondContact OE2-NH1 2.92Å
446L93.1Very high92.8Very high86 Ų8662.7 Ų62.745%0.4531%0.311SS..EExtended strand (participates in β ladder)trans-88.7139174.3-57.7-178.7000111.2E429 V438 C439 R440E429-L446 WeakPolarHBondContact OE2-CD2 3.12Å; V438-L446 HydrophobicContact CG1-CB 4.39Å; C439-L446 CarbonylContact O-C 3.52Å; R440-L446 HydrophobicContact CB-CD2 3.82Å; R440-L446 HydrophobicContact CG-CD2 3.9Å
447L91.8Very high92.8Very high2 Ų262.4 Ų62.41%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-122.6108.4177-61.3179.1000108.8F416 K417 Y421 M426 V438 C439 T441 V450F416-L447 HydrophobicContact CE1-CD1 4.48Å; K417-L447 HydrophobicContact CD-CD2 4.03Å; Y421-L447 HydrophobicContact CD1-CD1 4.13Å; Y421-L447 HydrophobicContact CD2-CD1 4.1Å; Y421-L447 HydrophobicContact CD2-CD2 4.42Å; Y421-L447 HydrophobicContact CE1-CD1 4.26Å; Y421-L447 HydrophobicContact CE2-CD1 4.24Å; Y421-L447 HydrophobicContact CE2-CD2 3.82Å; Y421-L447 HydrophobicContact CG-CD1 4.05Å; M426-L447 HydrophobicContact CE-CD1 3.34Å; M426-L447 HydrophobicContact SD-CD1 3.57Å; M426-L447 VanDerWaalsContact SD-CD1 3.57Å; V438-L447 WeakPolarHBondContact CA-O 3.5Å; C439-L447 HydrophobicContact CB-CB 4.44Å; C439-L447 PolarHBondContact N-O 3.32Å; C439-L447 WeakPolarHBondContact O-CB 3.44Å; C439-L447 PolarHBondContact O-N 3.12Å; T441-L447 HydrophobicContact CG2-CD1 3.79Å; T441-L447 HydrophobicContact CG2-CG 4.07Å; L447-V450 HydrophobicContact CB-CG2 3.88Å
448D92.5Very high92.8Very high95 Ų9563.5 Ų63.551%0.50832%0.315SS..EExtended strand (participates in β ladder)trans-82.8163.8175.1-52.2-43.9000111.7V438 V450V438-D448 WeakPolarHBondContact CG1-OD1 3.13Å; D448-V450 VanDerWaalsContact C-N 3.25Å; D448-V450 PolarHBondContact O-N 3Å
449D91.6Very high92.7Very high114 Ų11464.2 Ų64.261%0.6132%0.319SS*.EExtended strand (participates in β ladder)trans56.431.5176.6-67-34.3000115.1K451D449-K451 PolarHBondContact O-N 2.79Å
450V94.1Very high92.5Very high0 Ų064.4 Ų64.40%032%0.321CS..EExtended strand (participates in β ladder)trans-78119.8176.4177.60000109.7F411 F416 T436 C437 C439 L447 D448 L455F411-V450 HydrophobicContact CD2-CG1 4.23Å; F411-V450 HydrophobicContact CE2-CG1 3.77Å; F411-V450 HydrophobicContact CE2-CG2 4.26Å; F416-V450 HydrophobicContact CZ-CG2 4.27Å; T436-V450 CarbonylContact C-O 3.51Å; T436-V450 VanDerWaalsContact CA-O 3.3Å; T436-V450 WeakPolarHBondContact CA-O 3.42Å; C437-V450 PolarHBondContact N-O 3.47Å; C437-V450 PolarHBondContact O-N 3.07Å; C437-V450 PolarHBondContact SG-O 2.97Å; C437-V450 VanDerWaalsContact SG-O 3.32Å; C439-V450 HydrophobicContact CB-CG2 4.29Å; L447-V450 HydrophobicContact CB-CG2 3.88Å; D448-V450 VanDerWaalsContact C-N 3.25Å; D448-V450 PolarHBondContact O-N 3Å; V450-L455 HydrophobicContact CG1-CD1 3.84Å; V450-L455 HydrophobicContact CG1-CD2 3.78Å; V450-L455 HydrophobicContact CG1-CG 3.8Å
451K93.8Very high92.2Very high120 Ų12068.3 Ų68.352%0.52234%0.341SS..EExtended strand (participates in β ladder)trans-84.5149.1-179.5-61.4-177.3-177.9176.80111.7F435 T436 D449 N453 M454F435-K451 CarbonylContact O-C 3.57Å; F435-K451 VanDerWaalsContact O-CA 3.31Å; F435-K451 WeakPolarHBondContact O-CA 3.22Å; T436-K451 HydrophobicContact CG2-CG 4.32Å; D449-K451 PolarHBondContact O-N 2.79Å; K451-N453 PolarHBondContact O-N 3.47Å; K451-N453 VanDerWaalsContact O-N 3.16Å; K451-M454 HydrophobicContact CB-CE 4.31Å; K451-M454 HydrophobicContact CB-CG 4.15Å; K451-M454 HydrophobicContact CB-SD 3.98Å; K451-M454 HydrophobicContact CD-CE 4.11Å; K451-M454 HydrophobicContact CG-CE 4.23Å; K451-M454 HydrophobicContact CG-SD 4.32Å; K451-M454 WeakPolarHBondContact O-CB 3.46Å; K451-M454 PolarHBondContact O-N 2.82Å
452Q93.7Very high91.7Very high11 Ų1169.1 Ų69.15%0.05135%0.352CS..G310 helixtrans-50.4-41.3175.6-176.2178.1-64.600112.7P400 W402 F435 M454 L455P400-Q452 PolarHBondContact O-NE2 3.19Å; W402-Q452 HydrophobicContact CD2-CG 4.08Å; W402-Q452 HydrophobicContact CG-CG 4.25Å; W402-Q452 HydrophobicContact CZ2-CG 3.77Å; W402-Q452 VanDerWaalsContact N-OE1 3.09Å; W402-Q452 VanDerWaalsContact NE1-CD 3.32Å; F435-Q452 HydrophobicContact CB-CB 4.49Å; F435-Q452 PolarHBondContact O-N 2.9Å; Q452-M454 PolarHBondContact O-N 2.7Å; Q452-L455 PolarHBondContact O-N 3.28Å; Q452-L455 VanDerWaalsContact O-N 3.08Å
453N92.8Very high91.1Very high136 Ų13669.7 Ų69.773%0.72736%0.355SS*.G310 helixtrans-70.2-12.9-178.5-59.9-0.6000114K451 L455K451-N453 PolarHBondContact O-N 3.47Å; K451-N453 VanDerWaalsContact O-N 3.16Å; N453-L455 VanDerWaalsContact C-N 3.27Å
454M93.4Very high90.7Very high32 Ų3272.6 Ų72.616%0.15836%0.361CS..G310 helixtrans-88-2.4175.7-58.9170.3171.300111.6F411 I412 D413 F416 K451 Q452F411-M454 HydrophobicContact CE2-CB 4.01Å; F411-M454 HydrophobicContact CZ-CB 4Å; F411-M454 HydrophobicContact CZ-SD 4.37Å; I412-M454 VanDerWaalsContact CG1-C 3.49Å; I412-M454 VanDerWaalsContact CG1-O 3.28Å; I412-M454 WeakPolarHBondContact CG1-O 3.31Å; I412-M454 PolarHBondContact N-O 3.36Å; D413-M454 HydrophobicContact CB-CB 3.92Å; D413-M454 HydrophobicContact CB-CG 3.85Å; F416-M454 HydrophobicContact CD2-CE 4.37Å; F416-M454 HydrophobicContact CD2-SD 4.13Å; K451-M454 HydrophobicContact CB-CE 4.31Å; K451-M454 HydrophobicContact CB-CG 4.15Å; K451-M454 HydrophobicContact CB-SD 3.98Å; K451-M454 HydrophobicContact CD-CE 4.11Å; K451-M454 HydrophobicContact CG-CE 4.23Å; K451-M454 HydrophobicContact CG-SD 4.32Å; K451-M454 WeakPolarHBondContact O-CB 3.46Å; K451-M454 PolarHBondContact O-N 2.82Å; Q452-M454 PolarHBondContact O-N 2.7Å
455L94.3Very high90.7Very high8 Ų873 Ų734%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-121148.3-173.5-60.3176.7000111.2W402 L403 V409 R410 F411 C437 V450 Q452 N453W402-L455 HydrophobicContact CH2-CB 3.78Å; W402-L455 HydrophobicContact CZ2-CB 4.12Å; L403-L455 HydrophobicContact CD1-CD1 3.91Å; V409-L455 HydrophobicContact CB-CB 4.37Å; V409-L455 HydrophobicContact CB-CD2 4.3Å; V409-L455 HydrophobicContact CG2-CD1 4.04Å; V409-L455 HydrophobicContact CG2-CD2 3.74Å; V409-L455 HydrophobicContact CG2-CG 4.35Å; R410-L455 CarbonylContact O-C 3.56Å; R410-L455 WeakPolarHBondContact O-CA 3.11Å; F411-L455 HydrophobicContact CB-CD2 4.44Å; F411-L455 HydrophobicContact CD2-CD2 3.71Å; F411-L455 HydrophobicContact CE2-CD2 4.42Å; F411-L455 HydrophobicContact CG-CD2 4.47Å; C437-L455 VanDerWaalsContact SG-CD1 3.58Å; V450-L455 HydrophobicContact CG1-CD1 3.84Å; V450-L455 HydrophobicContact CG1-CD2 3.78Å; V450-L455 HydrophobicContact CG1-CG 3.8Å; Q452-L455 PolarHBondContact O-N 3.28Å; Q452-L455 VanDerWaalsContact O-N 3.08Å; N453-L455 VanDerWaalsContact C-N 3.27Å
456E93.9Very high90.8Very high93 Ų9367.6 Ų67.644%0.43534%0.335SS..EExtended strand (participates in β ladder)trans-122.9141.6173-178.7-176-164.300108.8V409 R410 I412V409-E456 WeakPolarHBondContact CA-O 3.15Å; R410-E456 HydrophobicContact CB-CB 4.27Å; R410-E456 WeakPolarHBondContact CD-OE2 3.41Å; R410-E456 PolarHBondContact N-O 3.22Å; R410-E456 PolarHBondContact O-N 3.31Å; I412-E456 HydrophobicContact CG2-CB 3.77Å
457T94.2Very high90.8Very high21 Ų2163.5 Ų63.513%0.12931%0.314CS..EExtended strand (participates in β ladder)trans-67.8143.8176.354.30000110.2W402 V470 Y507 I510 C511W402-T457 HydrophobicContact CD2-CG2 4.41Å; W402-T457 HydrophobicContact CE3-CG2 4.01Å; W402-T457 HydrophobicContact CH2-CG2 4.17Å; W402-T457 HydrophobicContact CZ3-CG2 3.89Å; T457-V470 HydrophobicContact CG2-CG2 4.15Å; T457-Y507 PolarHBondContact OG1-O 3.25Å; T457-I510 WeakPolarHBondContact CB-O 3.31Å; T457-C511 HydrophobicContact CG2-CB 4Å
458I93.8Very high90.9Very high23 Ų2364.1 Ų64.112%0.11832%0.317CS..  trans-112.5124.7174.8-62.1176.7000108K408 V409 R410 K425 C511 H512K408-I458 HydrophobicContact CG-CD1 4.37Å; K408-I458 WeakPolarHBondContact O-CB 3.28Å; V409-I458 WeakPolarHBondContact O-CD1 3.39Å; R410-I458 HydrophobicContact CB-CD1 3.87Å; R410-I458 HydrophobicContact CB-CG1 3.88Å; K425-I458 HydrophobicContact CB-CD1 4.36Å; K425-I458 HydrophobicContact CD-CD1 4.36Å; K425-I458 HydrophobicContact CG-CD1 3.89Å; I458-C511 CarbonylContact O-C 3.55Å; I458-H512 VanDerWaalsContact O-CB 3.3Å; I458-H512 WeakPolarHBondContact O-CB 3.41Å; I458-H512 PolarHBondContact O-N 2.94Å
459V92.8Very high91Very high31 Ų3159.7 Ų59.719%0.18829%0.293CS..  trans-87.7124.3167.4-174.10000108.4I481 Y507 I510V459-I481 HydrophobicContact CG1-CD1 3.47Å; V459-I481 VanDerWaalsContact CG1-CD1 3.47Å; V459-Y507 HydrophobicContact CG2-CD1 4.03Å; V459-Y507 HydrophobicContact CG2-CD2 4.28Å; V459-Y507 HydrophobicContact CG2-CG 3.82Å; V459-I510 HydrophobicContact CG1-CD1 4.29Å; V459-I510 HydrophobicContact CG2-CD1 4.24Å; V459-I510 HydrophobicContact CG2-CG1 4.1Å
460P92.3Very high91.1Very high5 Ų554.2 Ų54.23%0.03226%0.264CS..  trans-64.1160.9179.520.2-22.2000111.5D465 V467 I481 R484 H512P460-D465 HydrophobicContact CB-CB 3.3Å; P460-D465 VanDerWaalsContact CB-OD2 3.22Å; P460-D465 WeakPolarHBondContact CB-OD2 3.25Å; P460-D465 HydrophobicContact CG-CB 3.62Å; P460-V467 HydrophobicContact CG-CG1 3.41Å; P460-V467 VanDerWaalsContact CG-CG1 3.41Å; P460-I481 HydrophobicContact CG-CD1 4.19Å; P460-R484 PolarHBondContact O-NE 3.2Å; P460-R484 PolarHBondContact O-NH2 3.2Å; P460-H512 HydrophobicContact CB-CB 4.29Å; P460-H512 HydrophobicContact CG-CB 4.07Å
461K87.9Confident91Very high190 Ų19056.3 Ų56.383%0.82628%0.275SS*.  trans-105.8-21.6176.2-68.1-175.2-177.6-179.90112.8R484K461-R484 VanDerWaalsContact C-NH1 3.27Å; K461-R484 PolarHBondContact O-NH1 2.7Å
462G83.6Confident90.7Very high30 Ų3053.5 Ų53.531%0.30928%0.28SS..SBendtrans-67.3148.8175.300000111.1Y464 D465 R484G462-Y464 VanDerWaalsContact C-N 3.29Å; G462-D465 VanDerWaalsContact CA-OD2 3.24Å; G462-D465 WeakPolarHBondContact CA-OD2 2.91Å; G462-D465 PolarHBondContact N-OD2 3.48Å; G462-R484 PolarHBondContact O-NH2 2.83Å
463E75.6Confident90.5Very high152 Ų15261.4 Ų61.471%0.7132%0.317SS*.SBendtrans-75.4-23.2178.2-67.5170.4-175.800111.9
464Y80.6Confident90.3Very high198 Ų19856.7 Ų56.778%0.77629%0.29SS*.SBendtrans-101.32.4-179.5-56.6-78.3000113.7G462G462-Y464 VanDerWaalsContact C-N 3.29Å
465D88.7Confident90.2Very high56 Ų5660.3 Ų60.330%0.29930%0.302SS..  trans-76129.9-178.7-70-25.5000110.3P460 G462P460-D465 HydrophobicContact CB-CB 3.3Å; P460-D465 VanDerWaalsContact CB-OD2 3.22Å; P460-D465 WeakPolarHBondContact CB-OD2 3.25Å; P460-D465 HydrophobicContact CG-CB 3.62Å; G462-D465 VanDerWaalsContact CA-OD2 3.24Å; G462-D465 WeakPolarHBondContact CA-OD2 2.91Å; G462-D465 PolarHBondContact N-OD2 3.48Å
466A91.5Very high90Very high17 Ų1761.5 Ų61.514%0.1432%0.317CS..EExtended strand (participates in β ladder)trans-74.2146.9176.900000111.7V478 H512 Y513A466-V478 HydrophobicContact CB-CG1 4.12Å; A466-H512 PolarHBondContact O-CD2 2.86Å; A466-Y513 HydrophobicContact CB-CD1 4.27Å; A466-Y513 PolarHBondContact O-N 3.46Å
467V94.3Very high89.8Confident0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-127.4148.3172.7-67.10000111.2P460 V478 G479 I481 V493 C511P460-V467 HydrophobicContact CG-CG1 3.41Å; P460-V467 VanDerWaalsContact CG-CG1 3.41Å; V467-V478 CarbonylContact O-C 3.44Å; V467-V478 VanDerWaalsContact O-CA 3.31Å; V467-V478 WeakPolarHBondContact O-CA 3.13Å; V467-G479 PolarHBondContact N-O 3.21Å; V467-G479 PolarHBondContact O-N 3.3Å; V467-I481 HydrophobicContact CB-CG1 4.45Å; V467-I481 HydrophobicContact CG1-CD1 3.51Å; V467-I481 HydrophobicContact CG1-CG1 3.85Å; V467-I481 HydrophobicContact CG2-CD1 4.33Å; V467-I481 HydrophobicContact CG2-CG1 3.75Å; V467-V493 HydrophobicContact CG2-CG1 3.79Å; V467-V493 HydrophobicContact CG2-CG2 4.34Å; V467-C511 CarbonylContact C-O 3.57Å; V467-C511 VanDerWaalsContact CA-O 3.28Å; V467-C511 WeakPolarHBondContact CA-O 3.26Å
468M94.4Very high89.8Confident15 Ų1558.4 Ų58.47%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-110.7138.5171.9-179.2178.4-75.400109.6Q404 L407 Q477 V478 I510 C511 Y513Q404-M468 HydrophobicContact CB-SD 3.81Å; Q404-M468 HydrophobicContact CG-SD 4.04Å; L407-M468 HydrophobicContact CD2-CB 3.86Å; L407-M468 HydrophobicContact CD2-CG 4.38Å; L407-M468 HydrophobicContact CD2-SD 3.96Å; M468-Q477 WeakPolarHBondContact CA-O 3.28Å; M468-V478 HydrophobicContact CB-CG2 4.43Å; M468-V478 HydrophobicContact CE-CG2 3.67Å; M468-I510 CarbonylContact O-C 3.58Å; M468-I510 WeakPolarHBondContact O-CA 3.38Å; M468-C511 PolarHBondContact N-O 3.33Å; M468-C511 PolarHBondContact O-N 2.78Å; M468-Y513 HydrophobicContact CB-CD2 4.27Å; M468-Y513 HydrophobicContact CB-CG 4.43Å; M468-Y513 HydrophobicContact CE-CD2 3.49Å; M468-Y513 VanDerWaalsContact CE-CD2 3.49Å; M468-Y513 HydrophobicContact CE-CE2 3.37Å; M468-Y513 HydrophobicContact CE-CG 4.36Å; M468-Y513 HydrophobicContact SD-CD2 4.44Å
469V94.5Very high89.7Confident1 Ų157.3 Ų57.31%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-77123.1170.6-176.40000108.8L471 H474 R475 G476 Q477 L495 L505 S509 I510V469-L471 VanDerWaalsContact CG1-O 3.25Å; V469-L471 WeakPolarHBondContact CG1-O 3.41Å; V469-H474 WeakPolarHBondContact CB-O 3.48Å; V469-H474 HydrophobicContact CG1-CB 4.28Å; V469-R475 CarbonylContact O-C 3.54Å; V469-R475 WeakPolarHBondContact O-CA 3.24Å; V469-G476 PolarHBondContact O-N 3.38Å; V469-Q477 PolarHBondContact N-O 3.44Å; V469-L495 HydrophobicContact CG2-CD2 3.67Å; V469-L505 HydrophobicContact CB-CD1 4.5Å; V469-L505 HydrophobicContact CG1-CD1 4.22Å; V469-L505 HydrophobicContact CG2-CD1 3.53Å; V469-S509 CarbonylContact C-O 3.58Å; V469-S509 WeakPolarHBondContact CA-O 3.49Å; V469-I510 HydrophobicContact CG2-CG2 4.36Å
470V93.3Very high89.6Confident0 Ų060.9 Ų60.90%031%0.307CS..  trans-107.3-20.5-173.9-62.60000113.4W402 L407 T457 R475 S509 C511W402-V470 WeakPolarHBondContact CA-O 3.47Å; W402-V470 HydrophobicContact CB-CB 3.91Å; W402-V470 HydrophobicContact CB-CG2 4.04Å; W402-V470 WeakPolarHBondContact O-CB 3.33Å; L407-V470 HydrophobicContact CD1-CG1 3.67Å; L407-V470 HydrophobicContact CD2-CG1 4.32Å; T457-V470 HydrophobicContact CG2-CG2 4.15Å; V470-R475 WeakPolarHBondContact O-CG 3.47Å; V470-S509 WeakPolarHBondContact CG2-O 3.22Å; V470-S509 PolarHBondContact N-O 3.33Å; V470-C511 HydrophobicContact CG1-CB 3.81Å
471L91.3Very high89.6Confident43 Ų4361 Ų6123%0.22531%0.308CS..SBendtrans-131.8154.5177.7-69.5171.7000111.3P400 W402 V469 S509P400-L471 HydrophobicContact CB-CD2 3.83Å; P400-L471 HydrophobicContact CG-CD2 4.13Å; W402-L471 HydrophobicContact CB-CD1 4.45Å; W402-L471 HydrophobicContact CB-CD2 3.74Å; W402-L471 HydrophobicContact CB-CG 3.81Å; V469-L471 VanDerWaalsContact CG1-O 3.25Å; V469-L471 WeakPolarHBondContact CG1-O 3.41Å; L471-S509 PolarHBondContact N-O 2.83Å
472G88.8Confident89.7Confident61 Ų6156.9 Ų56.963%0.62929%0.294SS*.SBendtrans91.9-166.1177.900000114.3H474 R475G472-H474 VanDerWaalsContact C-N 3.33Å; G472-H474 PolarHBondContact O-N 2.74Å; G472-R475 WeakPolarHBondContact O-CB 3.39Å; G472-R475 PolarHBondContact O-N 3.18Å
473E88.6Confident89.9Confident178 Ų17860.2 Ų60.283%0.83230%0.301SS*.THydrogen-bonded Turntrans-66.8-32.9-173.7-173.1173.7175.300113.1R475E473-R475 VanDerWaalsContact C-N 3.32Å; E473-R475 PolarHBondContact O-N 2.84Å
474H89.3Confident90.6Very high36 Ų3656.5 Ų56.517%0.16728%0.281CS..THydrogen-bonded Turntrans-94.420.2-177.3-54.3-54.3000113.5V469 G472 G476 Q477 L495 F503V469-H474 WeakPolarHBondContact CB-O 3.48Å; V469-H474 HydrophobicContact CG1-CB 4.28Å; G472-H474 VanDerWaalsContact C-N 3.33Å; G472-H474 PolarHBondContact O-N 2.74Å; H474-G476 PolarHBondContact O-N 3.31Å; H474-Q477 WeakPolarHBondContact O-CB 3.31Å; H474-Q477 WeakPolarHBondContact O-CG 3.37Å; H474-Q477 PolarHBondContact O-N 3Å; H474-L495 HydrophobicContact CB-CD1 3.91Å; H474-F503 AromaticContact CD2-CD1 3.85Å; H474-F503 AromaticContact CD2-CE1 3.82Å; H474-F503 AromaticContact CE1-CE1 3.92Å; H474-F503 AromaticContact NE2-CD1 3.67Å; H474-F503 AromaticContact NE2-CE1 3.22Å; H474-F503 WeakPolarHBondContact NE2-CE1 3.47Å; H474-F503 AromaticContact NE2-CZ 3.91Å
475R90.4Very high91.1Very high108 Ų10850 Ų5041%0.40826%0.259SS..THydrogen-bonded Turntrans-52.3134.4180178.3178.5-178.1-91.76.7112.2S401 Q404 V469 V470 G472 E473 Q477S401-R475 PolarHBondContact O-NE 2.76Å; S401-R475 PolarHBondContact O-NH2 3.13Å; S401-R475 PolarHBondContact OG-NH2 2.74Å; Q404-R475 VanDerWaalsContact NE2-NH2 3.14Å; V469-R475 CarbonylContact O-C 3.54Å; V469-R475 WeakPolarHBondContact O-CA 3.24Å; V470-R475 WeakPolarHBondContact O-CG 3.47Å; G472-R475 WeakPolarHBondContact O-CB 3.39Å; G472-R475 PolarHBondContact O-N 3.18Å; E473-R475 VanDerWaalsContact C-N 3.32Å; E473-R475 PolarHBondContact O-N 2.84Å; R475-Q477 VanDerWaalsContact C-N 3.32Å
476G89.3Confident91Very high34 Ų3455.4 Ų55.435%0.35128%0.28SS..THydrogen-bonded Turntrans84.8-2.6179.500000114.6V469 H474V469-G476 PolarHBondContact O-N 3.38Å; H474-G476 PolarHBondContact O-N 3.31Å
477Q91.8Very high90.9Very high21 Ų2162.4 Ų62.410%0.09832%0.316CS..  trans-83.6138.8175.2-60-173.539.700110.6M468 V469 H474 R475 L495M468-Q477 WeakPolarHBondContact CA-O 3.28Å; V469-Q477 PolarHBondContact N-O 3.44Å; H474-Q477 WeakPolarHBondContact O-CB 3.31Å; H474-Q477 WeakPolarHBondContact O-CG 3.37Å; H474-Q477 PolarHBondContact O-N 3Å; R475-Q477 VanDerWaalsContact C-N 3.32Å; Q477-L495 HydrophobicContact CB-CD1 4.37Å; Q477-L495 HydrophobicContact CB-CD2 4.22Å
478V92.9Very high90.6Very high27 Ų2769.6 Ų69.616%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-95.9150175.3-177.40000109.2A466 V467 M468 D496 Y513A466-V478 HydrophobicContact CB-CG1 4.12Å; V467-V478 CarbonylContact O-C 3.44Å; V467-V478 VanDerWaalsContact O-CA 3.31Å; V467-V478 WeakPolarHBondContact O-CA 3.13Å; M468-V478 HydrophobicContact CB-CG2 4.43Å; M468-V478 HydrophobicContact CE-CG2 3.67Å; V478-D496 PolarHBondContact O-N 2.98Å; V478-Y513 HydrophobicContact CG1-CD1 3.82Å; V478-Y513 HydrophobicContact CG1-CE1 4.31Å; V478-Y513 HydrophobicContact CG1-CG 4.41Å; V478-Y513 HydrophobicContact CG2-CD1 3.98Å; V478-Y513 HydrophobicContact CG2-CD2 4.48Å; V478-Y513 HydrophobicContact CG2-CE1 4Å; V478-Y513 HydrophobicContact CG2-CE2 4.49Å; V478-Y513 HydrophobicContact CG2-CG 4.22Å
479G91.8Very high90.4Very high0 Ų072.3 Ų72.30%037%0.366CS..EExtended strand (participates in β ladder)trans-167-171.7178.500000112.4V467 Q494V467-G479 PolarHBondContact N-O 3.21Å; V467-G479 PolarHBondContact O-N 3.3Å; G479-Q494 CarbonylContact C-O 3.48Å; G479-Q494 WeakPolarHBondContact CA-O 3.48Å
480R91.6Very high90.3Very high107 Ų10777.6 Ų77.640%0.40439%0.386SS..EExtended strand (participates in β ladder)trans-123144-178-58.8-179-172.1-177.32110.7V493 Q494 H519R480-V493 WeakPolarHBondContact O-CA 3.28Å; R480-Q494 PolarHBondContact N-O 2.94Å; R480-Q494 PolarHBondContact O-N 3.3Å; R480-H519 PolarHBondContact NH2-NE2 2.74Å
481I91.7Very high90.2Very high8 Ų877.7 Ų77.74%0.04139%0.387CS..EExtended strand (participates in β ladder)trans-86.7122.9176.8-60.8169.1000109.1V459 P460 V467 R484 A491 V493 I510V459-I481 HydrophobicContact CG1-CD1 3.47Å; V459-I481 VanDerWaalsContact CG1-CD1 3.47Å; P460-I481 HydrophobicContact CG-CD1 4.19Å; V467-I481 HydrophobicContact CB-CG1 4.45Å; V467-I481 HydrophobicContact CG1-CD1 3.51Å; V467-I481 HydrophobicContact CG1-CG1 3.85Å; V467-I481 HydrophobicContact CG2-CD1 4.33Å; V467-I481 HydrophobicContact CG2-CG1 3.75Å; I481-R484 HydrophobicContact CG2-CG 3.58Å; I481-A491 HydrophobicContact CG2-CB 4.07Å; I481-V493 HydrophobicContact CG1-CG2 4.21Å; I481-I510 HydrophobicContact CD1-CD1 4.32Å
482L89.8Confident90.2Very high103 Ų10378.2 Ų78.254%0.53939%0.389SS..EExtended strand (participates in β ladder)trans-90.8-44174.1-62.4-177.3000112.1M492 Q494 L502L482-M492 PolarHBondContact N-O 3.45Å; L482-Q494 HydrophobicContact CD1-CB 4.23Å; L482-Q494 HydrophobicContact CG-CB 4.33Å; L482-L502 HydrophobicContact CD1-CD1 4.39Å; L482-L502 HydrophobicContact CD1-CD2 3.4Å
483Q88.4Confident90.4Very high100 Ų10075.3 Ų75.347%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-139.8145.5-177-172.6172.8-17.600111.4A491 M492Q483-A491 WeakPolarHBondContact O-CA 3.5Å; Q483-M492 HydrophobicContact CB-CB 4.33Å; Q483-M492 HydrophobicContact CB-CE 3.48Å; Q483-M492 VanDerWaalsContact CB-CE 3.48Å; Q483-M492 HydrophobicContact CG-CE 3.99Å; Q483-M492 PolarHBondContact O-N 2.86Å
484R90.4Very high90.6Very high74 Ų7469.9 Ų69.928%0.27933%0.333SS..EExtended strand (participates in β ladder)trans-124.9117.2-177.8-66.1-177.5-170.1126.11.1111P460 K461 G462 I481P460-R484 PolarHBondContact O-NE 3.2Å; P460-R484 PolarHBondContact O-NH2 3.2Å; K461-R484 VanDerWaalsContact C-NH1 3.27Å; K461-R484 PolarHBondContact O-NH1 2.7Å; G462-R484 PolarHBondContact O-NH2 2.83Å; I481-R484 HydrophobicContact CG2-CG 3.58Å
485D90.3Very high90.6Very high61 Ų6168.1 Ų68.133%0.32633%0.326SS..EExtended strand (participates in β ladder)trans-100.491.6174.8-71.6-18.5000109.8N487 K488 C489 R490D485-N487 PolarHBondContact O-N 2.87Å; D485-K488 PolarHBondContact O-N 3.25Å; D485-C489 PolarHBondContact O-N 3.46Å; D485-R490 PolarHBondContact N-O 2.85Å; D485-R490 PolarHBondContact O-N 3.27Å
486K86.4Confident90.5Very high169 Ų16965.8 Ų65.874%0.73532%0.321SS*.THydrogen-bonded Turntrans-59.8-32.9179.3-67.2177-175.7170.70113.2K488K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 3.39Å
487N89Confident90.2Very high165 Ų16573.3 Ų73.388%0.88234%0.339SS*.THydrogen-bonded Turntrans-71.3-28.8-176.4-61.6-6000112.6D485D485-N487 PolarHBondContact O-N 2.87Å
488K89.2Confident89.7Confident150 Ų15077.6 Ų77.665%0.65236%0.355SS*.THydrogen-bonded Turntrans-108.71.4-178.4-64.7-178.5-179.3174.50112.7D485 K486 R490D485-K488 PolarHBondContact O-N 3.25Å; K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 3.39Å; K488-R490 HydrophobicContact CB-CB 4.49Å; K488-R490 PolarHBondContact O-N 3.5Å
489C90.1Very high88.8Confident72 Ų7283.5 Ų83.549%0.48638%0.381SS..THydrogen-bonded Turntrans5142-173.7-59.50000113D485 Y507D485-C489 PolarHBondContact O-N 3.46Å; C489-Y507 HydrophobicContact CB-CD2 4.17Å; C489-Y507 HydrophobicContact CB-CG 4.38Å; C489-Y507 WeakPolarHBondContact O-CD1 3.49Å; C489-Y507 PolarHBondContact O-N 3.43Å
490R92.1Very high88Confident113 Ų11392.9 Ų92.943%0.42642%0.424SS..EExtended strand (participates in β ladder)trans-125.1146.9-177.2-78.9176.6175.3-170.91.2111.7D485 K488 T504 L505 D506 Y507D485-R490 PolarHBondContact N-O 2.85Å; D485-R490 PolarHBondContact O-N 3.27Å; K488-R490 HydrophobicContact CB-CB 4.49Å; K488-R490 PolarHBondContact O-N 3.5Å; R490-T504 HydrophobicContact CB-CG2 4.24Å; R490-T504 HydrophobicContact CG-CG2 4.5Å; R490-L505 CarbonylContact C-O 3.5Å; R490-L505 WeakPolarHBondContact CA-O 3.42Å; R490-D506 WeakPolarHBondContact CG-OD1 3.25Å; R490-D506 IonicContact CZ-OD1 2.68Å; R490-D506 IonicContact NE-OD1 2.7Å; R490-D506 PolarHBondContact NE-OD1 3.45Å; R490-D506 IonicContact NH2-OD1 2.67Å; R490-Y507 WeakPolarHBondContact O-CE1 3.45Å
491A91.6Very high87.7Confident2 Ų293.8 Ų93.82%0.01743%0.431CS..EExtended strand (participates in β ladder)trans-124.8141.8172.800000110.4I481 Q483 V493 T504 L505 Y507 I510I481-A491 HydrophobicContact CG2-CB 4.07Å; Q483-A491 WeakPolarHBondContact O-CA 3.5Å; A491-V493 HydrophobicContact CB-CG2 4.08Å; A491-T504 WeakPolarHBondContact O-CA 3.36Å; A491-L505 PolarHBondContact N-O 2.88Å; A491-L505 PolarHBondContact O-N 3.43Å; A491-Y507 HydrophobicContact CB-CD1 4.27Å; A491-Y507 HydrophobicContact CB-CE1 3.9Å; A491-I510 HydrophobicContact CB-CD1 3.66Å
492M91.6Very high87.6Confident54 Ų5498 Ų9827%0.26645%0.453SS..EExtended strand (participates in β ladder)trans-86.9114.2164-67.5-164-67.300108.4L482 Q483 F503L482-M492 PolarHBondContact N-O 3.45Å; Q483-M492 HydrophobicContact CB-CB 4.33Å; Q483-M492 HydrophobicContact CB-CE 3.48Å; Q483-M492 VanDerWaalsContact CB-CE 3.48Å; Q483-M492 HydrophobicContact CG-CE 3.99Å; Q483-M492 PolarHBondContact O-N 2.86Å; M492-F503 WeakPolarHBondContact CA-O 3.3Å
493V92.2Very high87.6Confident0 Ų095 Ų950%044%0.436CS..EExtended strand (participates in β ladder)trans-112.5130.3-176.8-174.90000109V467 R480 I481 A491 L495 F503 L505 I510V467-V493 HydrophobicContact CG2-CG1 3.79Å; V467-V493 HydrophobicContact CG2-CG2 4.34Å; R480-V493 WeakPolarHBondContact O-CA 3.28Å; I481-V493 HydrophobicContact CG1-CG2 4.21Å; A491-V493 HydrophobicContact CB-CG2 4.08Å; V493-L495 HydrophobicContact CG1-CD2 4.02Å; V493-F503 PolarHBondContact N-O 3.18Å; V493-F503 PolarHBondContact O-N 2.83Å; V493-L505 HydrophobicContact CB-CD1 4.26Å; V493-L505 HydrophobicContact CG2-CD1 4.26Å; V493-I510 HydrophobicContact CG2-CD1 4.18Å; V493-I510 HydrophobicContact CG2-CG2 4.39Å
494Q92Very high87.8Confident63 Ų6394.3 Ų94.329%0.29444%0.439SS..EExtended strand (participates in β ladder)trans-95.7119168.7-173179.510.800107.4G479 R480 L482 E499 L502G479-Q494 CarbonylContact C-O 3.48Å; G479-Q494 WeakPolarHBondContact CA-O 3.48Å; R480-Q494 PolarHBondContact N-O 2.94Å; R480-Q494 PolarHBondContact O-N 3.3Å; L482-Q494 HydrophobicContact CD1-CB 4.23Å; L482-Q494 HydrophobicContact CG-CB 4.33Å; Q494-E499 PolarHBondContact NE2-O 2.89Å; Q494-L502 HydrophobicContact CB-CD2 3.83Å; Q494-L502 HydrophobicContact CG-CD2 4.12Å
495L91Very high87.9Confident0 Ų092 Ų920%043%0.432CS..EExtended strand (participates in β ladder)trans-87.1138.8-179.2-62.6177.6000110V469 H474 Q477 V493 R497 Y498 E499 F503V469-L495 HydrophobicContact CG2-CD2 3.67Å; H474-L495 HydrophobicContact CB-CD1 3.91Å; Q477-L495 HydrophobicContact CB-CD1 4.37Å; Q477-L495 HydrophobicContact CB-CD2 4.22Å; V493-L495 HydrophobicContact CG1-CD2 4.02Å; L495-R497 PolarHBondContact O-N 2.81Å; L495-Y498 CarbonylContact O-C 3.55Å; L495-Y498 PolarHBondContact O-N 3.41Å; L495-E499 PolarHBondContact O-N 2.81Å; L495-F503 HydrophobicContact CD1-CD2 3.69Å; L495-F503 HydrophobicContact CD1-CE2 3.74Å; L495-F503 HydrophobicContact CD1-CG 4.34Å; L495-F503 HydrophobicContact CD1-CZ 4.44Å; L495-F503 HydrophobicContact CG-CD2 3.87Å; L495-F503 HydrophobicContact CG-CE2 4.19Å
496D86.6Confident88Confident58 Ų5892.4 Ų92.431%0.3143%0.434SS..G310 helixtrans-64.5-28.9-176.5-62.9-17.6000112.1V478 Y498V478-D496 PolarHBondContact O-N 2.98Å; D496-Y498 VanDerWaalsContact C-N 3.27Å; D496-Y498 PolarHBondContact O-N 3.29Å
497R83.4Confident88.2Confident193 Ų19386.4 Ų86.473%0.72841%0.407SS*.G310 helixtrans-71.5-20175.2-72.5-170.2178-174.90.1114L495L495-R497 PolarHBondContact O-N 2.81Å
498Y81.1Confident88.3Confident110 Ų11084.2 Ų84.243%0.43140%0.395SS..G310 helixtrans-136.668.2-175.2-60.5-75.5000108.9L495 D496 E500 K501L495-Y498 CarbonylContact O-C 3.55Å; L495-Y498 PolarHBondContact O-N 3.41Å; D496-Y498 VanDerWaalsContact C-N 3.27Å; D496-Y498 PolarHBondContact O-N 3.29Å; Y498-E500 PolarHBondContact O-N 2.88Å; Y498-K501 PolarHBondContact O-N 3.16Å
499E74.2Confident88.5Confident151 Ų15178.3 Ų78.371%0.70637%0.373SS*.THydrogen-bonded Turntrans-54.2-27.7-175.7-66.6-174.8164.100113.2Q494 L495Q494-E499 PolarHBondContact NE2-O 2.89Å; L495-E499 PolarHBondContact O-N 2.81Å
500E75.6Confident88.6Confident197 Ų19774.9 Ų74.992%0.92135%0.35SS*.THydrogen-bonded Turntrans-87.6-11.6-179.2-63.2-177.4165.700114.6Y498Y498-E500 PolarHBondContact O-N 2.88Å
501K85.8Confident88.8Confident127 Ų12769.5 Ų69.555%0.55233%0.329SS*.  trans-111.4131.4-173.8-69.9-176.3179.8177.40112.4Y498 F503Y498-K501 PolarHBondContact O-N 3.16Å; K501-F503 HydrophobicContact CB-CE2 3.75Å; K501-F503 HydrophobicContact CB-CZ 4.02Å; K501-F503 HydrophobicContact CD-CZ 4.42Å
502L88.1Confident89Confident96 Ų9670.7 Ų70.750%0.50334%0.335SS..EExtended strand (participates in β ladder)trans-99.8131.9174.6-60.5178.5000110.3L482 Q494L482-L502 HydrophobicContact CD1-CD1 4.39Å; L482-L502 HydrophobicContact CD1-CD2 3.4Å; Q494-L502 HydrophobicContact CB-CD2 3.83Å; Q494-L502 HydrophobicContact CG-CD2 4.12Å
503F89.7Confident89.1Confident40 Ų4070 Ų7018%0.17533%0.329CS..EExtended strand (participates in β ladder)trans-115.5127.5178.8-63.7-88.4000110H474 M492 V493 L495 K501 L505H474-F503 AromaticContact CD2-CD1 3.85Å; H474-F503 AromaticContact CD2-CE1 3.82Å; H474-F503 AromaticContact CE1-CE1 3.92Å; H474-F503 AromaticContact NE2-CD1 3.67Å; H474-F503 AromaticContact NE2-CE1 3.22Å; H474-F503 WeakPolarHBondContact NE2-CE1 3.47Å; H474-F503 AromaticContact NE2-CZ 3.91Å; M492-F503 WeakPolarHBondContact CA-O 3.3Å; V493-F503 PolarHBondContact N-O 3.18Å; V493-F503 PolarHBondContact O-N 2.83Å; L495-F503 HydrophobicContact CD1-CD2 3.69Å; L495-F503 HydrophobicContact CD1-CE2 3.74Å; L495-F503 HydrophobicContact CD1-CG 4.34Å; L495-F503 HydrophobicContact CD1-CZ 4.44Å; L495-F503 HydrophobicContact CG-CD2 3.87Å; L495-F503 HydrophobicContact CG-CE2 4.19Å; K501-F503 HydrophobicContact CB-CE2 3.75Å; K501-F503 HydrophobicContact CB-CZ 4.02Å; K501-F503 HydrophobicContact CD-CZ 4.42Å; F503-L505 HydrophobicContact CB-CD1 4.49Å; F503-L505 HydrophobicContact CB-CD2 4.42Å; F503-L505 HydrophobicContact CB-CG 4.17Å
504T92.6Very high89.1Confident86 Ų8672.7 Ų72.753%0.52835%0.346SS..EExtended strand (participates in β ladder)trans-89.1107.2172.3-53.40000108.6R490 A491R490-T504 HydrophobicContact CB-CG2 4.24Å; R490-T504 HydrophobicContact CG-CG2 4.5Å; A491-T504 WeakPolarHBondContact O-CA 3.36Å
505L92.9Very high88.7Confident26 Ų2670.2 Ų70.214%0.13634%0.337CS..EExtended strand (participates in β ladder)trans-115.4147.7-176.1-60.6175.9000111.1V469 R490 A491 V493 F503 I510V469-L505 HydrophobicContact CB-CD1 4.5Å; V469-L505 HydrophobicContact CG1-CD1 4.22Å; V469-L505 HydrophobicContact CG2-CD1 3.53Å; R490-L505 CarbonylContact C-O 3.5Å; R490-L505 WeakPolarHBondContact CA-O 3.42Å; A491-L505 PolarHBondContact N-O 2.88Å; A491-L505 PolarHBondContact O-N 3.43Å; V493-L505 HydrophobicContact CB-CD1 4.26Å; V493-L505 HydrophobicContact CG2-CD1 4.26Å; F503-L505 HydrophobicContact CB-CD1 4.49Å; F503-L505 HydrophobicContact CB-CD2 4.42Å; F503-L505 HydrophobicContact CB-CG 4.17Å; L505-I510 HydrophobicContact CB-CG2 3.87Å; L505-I510 HydrophobicContact CD1-CG2 3.64Å; L505-I510 HydrophobicContact CG-CG2 4.42Å
506D93Very high87.7Confident68 Ų6874.2 Ų74.236%0.36437%0.37SS..EExtended strand (participates in β ladder)trans-74.8150.3173.8-62.3-30.3000110.4R490 D508 S509R490-D506 WeakPolarHBondContact CG-OD1 3.25Å; R490-D506 IonicContact CZ-OD1 2.68Å; R490-D506 IonicContact NE-OD1 2.7Å; R490-D506 PolarHBondContact NE-OD1 3.45Å; R490-D506 IonicContact NH2-OD1 2.67Å; D506-D508 PolarHBondContact O-N 3.01Å; D506-S509 WeakPolarHBondContact O-CA 3.37Å; D506-S509 WeakPolarHBondContact O-CB 3.43Å; D506-S509 PolarHBondContact O-N 3.39Å
507Y91.1Very high86.3Confident44 Ų4474.1 Ų74.117%0.17337%0.374CS..G310 helixtrans-59.3-31.4-179.5-75.21.1000113.7T457 V459 C489 R490 A491 S509 I510T457-Y507 PolarHBondContact OG1-O 3.25Å; V459-Y507 HydrophobicContact CG2-CD1 4.03Å; V459-Y507 HydrophobicContact CG2-CD2 4.28Å; V459-Y507 HydrophobicContact CG2-CG 3.82Å; C489-Y507 HydrophobicContact CB-CD2 4.17Å; C489-Y507 HydrophobicContact CB-CG 4.38Å; C489-Y507 WeakPolarHBondContact O-CD1 3.49Å; C489-Y507 PolarHBondContact O-N 3.43Å; R490-Y507 WeakPolarHBondContact O-CE1 3.45Å; A491-Y507 HydrophobicContact CB-CD1 4.27Å; A491-Y507 HydrophobicContact CB-CE1 3.9Å; Y507-S509 PolarHBondContact O-N 2.96Å; Y507-I510 HydrophobicContact CD1-CD1 4.41Å; Y507-I510 PolarHBondContact O-N 3.44Å
508D90.7Very high84.3Confident119 Ų11972.7 Ų72.764%0.63638%0.38SS*.G310 helixtrans-71.2-18.6176.7-64.5-9.4000112.3D506D506-D508 PolarHBondContact O-N 3.01Å
509S92.4Very high82.3Confident25 Ų2576.5 Ų76.518%0.17540%0.402CS..G310 helixtrans-92.9-3.4-179.9-59.20000113.5V469 V470 L471 D506 Y507V469-S509 CarbonylContact C-O 3.58Å; V469-S509 WeakPolarHBondContact CA-O 3.49Å; V470-S509 WeakPolarHBondContact CG2-O 3.22Å; V470-S509 PolarHBondContact N-O 3.33Å; L471-S509 PolarHBondContact N-O 2.83Å; D506-S509 WeakPolarHBondContact O-CA 3.37Å; D506-S509 WeakPolarHBondContact O-CB 3.43Å; D506-S509 PolarHBondContact O-N 3.39Å; Y507-S509 PolarHBondContact O-N 2.96Å
510I93.8Very high82.7Confident0 Ų072.8 Ų72.80%039%0.387CS..EExtended strand (participates in β ladder)trans-132149.4-179.160.5172.9000111.4T457 V459 M468 V469 I481 A491 V493 L505 Y507T457-I510 WeakPolarHBondContact CB-O 3.31Å; V459-I510 HydrophobicContact CG1-CD1 4.29Å; V459-I510 HydrophobicContact CG2-CD1 4.24Å; V459-I510 HydrophobicContact CG2-CG1 4.1Å; M468-I510 CarbonylContact O-C 3.58Å; M468-I510 WeakPolarHBondContact O-CA 3.38Å; V469-I510 HydrophobicContact CG2-CG2 4.36Å; I481-I510 HydrophobicContact CD1-CD1 4.32Å; A491-I510 HydrophobicContact CB-CD1 3.66Å; V493-I510 HydrophobicContact CG2-CD1 4.18Å; V493-I510 HydrophobicContact CG2-CG2 4.39Å; L505-I510 HydrophobicContact CB-CG2 3.87Å; L505-I510 HydrophobicContact CD1-CG2 3.64Å; L505-I510 HydrophobicContact CG-CG2 4.42Å; Y507-I510 HydrophobicContact CD1-CD1 4.41Å; Y507-I510 PolarHBondContact O-N 3.44Å
511C95.3Very high83.1Confident0 Ų066.3 Ų66.30%036%0.359CS..EExtended strand (participates in β ladder)trans-144148.4178.9-167.90000110.6L407 K408 T457 I458 V467 M468 V470 Y513L407-C511 HydrophobicContact CD1-CB 4.22Å; L407-C511 HydrophobicContact CD2-CB 4.02Å; K408-C511 PolarHBondContact O-SG 2.87Å; T457-C511 HydrophobicContact CG2-CB 4Å; I458-C511 CarbonylContact O-C 3.55Å; V467-C511 CarbonylContact C-O 3.57Å; V467-C511 VanDerWaalsContact CA-O 3.28Å; V467-C511 WeakPolarHBondContact CA-O 3.26Å; M468-C511 PolarHBondContact N-O 3.33Å; M468-C511 PolarHBondContact O-N 2.78Å; V470-C511 HydrophobicContact CG1-CB 3.81Å; C511-Y513 PolarHBondContact O-N 2.77Å
512H95.2Very high82.9Confident28 Ų2862.9 Ų62.913%0.1335%0.348CS..EExtended strand (participates in β ladder)trans-60.5124176.8-175.4172.8000109.8L407 K408 I458 P460 A466L407-H512 CarbonylContact C-O 3.5Å; L407-H512 WeakPolarHBondContact CA-O 3.46Å; K408-H512 HydrophobicContact CB-CB 4.07Å; K408-H512 PolarHBondContact N-O 2.64Å; I458-H512 VanDerWaalsContact O-CB 3.3Å; I458-H512 WeakPolarHBondContact O-CB 3.41Å; I458-H512 PolarHBondContact O-N 2.94Å; P460-H512 HydrophobicContact CB-CB 4.29Å; P460-H512 HydrophobicContact CG-CB 4.07Å; A466-H512 PolarHBondContact O-CD2 2.86Å
513Y94.6Very high82.6Confident38 Ų3860.9 Ų60.915%0.14934%0.339CS..EExtended strand (participates in β ladder)trans-99.8126177-176.8-110.5000110.8D406 L407 A466 M468 V478 C511D406-Y513 HydrophobicContact CB-CD2 4.21Å; D406-Y513 HydrophobicContact CB-CE2 3.73Å; L407-Y513 HydrophobicContact CD2-CD2 4.47Å; A466-Y513 HydrophobicContact CB-CD1 4.27Å; A466-Y513 PolarHBondContact O-N 3.46Å; M468-Y513 HydrophobicContact CB-CD2 4.27Å; M468-Y513 HydrophobicContact CB-CG 4.43Å; M468-Y513 HydrophobicContact CE-CD2 3.49Å; M468-Y513 VanDerWaalsContact CE-CD2 3.49Å; M468-Y513 HydrophobicContact CE-CE2 3.37Å; M468-Y513 HydrophobicContact CE-CG 4.36Å; M468-Y513 HydrophobicContact SD-CD2 4.44Å; V478-Y513 HydrophobicContact CG1-CD1 3.82Å; V478-Y513 HydrophobicContact CG1-CE1 4.31Å; V478-Y513 HydrophobicContact CG1-CG 4.41Å; V478-Y513 HydrophobicContact CG2-CD1 3.98Å; V478-Y513 HydrophobicContact CG2-CD2 4.48Å; V478-Y513 HydrophobicContact CG2-CE1 4Å; V478-Y513 HydrophobicContact CG2-CE2 4.49Å; V478-Y513 HydrophobicContact CG2-CG 4.22Å; C511-Y513 PolarHBondContact O-N 2.77Å
514V91.4Very high82.2Confident58 Ų5862.3 Ų62.335%0.35235%0.349SS..  trans-117.913.1-178.6-164.30000110.9D406 K408 R427D406-V514 PolarHBondContact O-N 2.74Å; K408-V514 HydrophobicContact CB-CG2 3.75Å; K408-V514 HydrophobicContact CD-CG2 4.31Å; R427-V514 PolarHBondContact NH2-O 2.63Å
515G84.6Confident81.5Confident10 Ų1060.7 Ų60.710%0.10334%0.337CS..SBendtrans-71.9161.7174.300000110.6S517G515-S517 PolarHBondContact O-N 2.9Å
516A68.8Low80.7Confident84 Ų8463.1 Ų63.169%0.69435%0.352SS*.  trans-63.4109.6170.700000107.8D518A516-D518 VanDerWaalsContact C-N 3.34Å; A516-D518 PolarHBondContact O-N 3.36Å; A516-D518 VanDerWaalsContact O-N 3.11Å
517S57Low79.7Confident56 Ų5662.8 Ų62.839%0.39235%0.351SS..  trans-68.9100160.2-58.40000105.6G515 H519G515-S517 PolarHBondContact O-N 2.9Å; S517-H519 VanDerWaalsContact C-N 3.27Å; S517-H519 PolarHBondContact O-N 2.85Å
518D43.4Very low78.8Confident163 Ų16364.3 Ų64.387%0.87237%0.366SS*.  trans-60.399.1164-78.3-30.2000106.8A516A516-D518 VanDerWaalsContact C-N 3.34Å; A516-D518 PolarHBondContact O-N 3.36Å; A516-D518 VanDerWaalsContact O-N 3.11Å
519H38.3Very low77.7Confident191 Ų19159.4 Ų59.488%0.88434%0.341SS*.  trans-116.10165.1-84.7-40.4000108.2R480 S517R480-H519 PolarHBondContact NH2-NE2 2.74Å; S517-H519 VanDerWaalsContact C-N 3.27Å; S517-H519 PolarHBondContact O-N 2.85Å

Retrieved 519 of 519 residues in 134.6 ms (Link to these results)