A0A024R693_HUMAN Loading...

Epididymis secretory sperm binding protein

AlphaFold DB (P17931), UniProt , Accession A0A024R693, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 250 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
1M37.3Very low45.9Very low231 Ų231108.4 Ų108.4100%1.13859%0.593SS**  0130.70-65167.8-173.200105.8
2A39.2Very low45.8Very low99 Ų99106.5 Ų106.582%0.81859%0.594SS**  trans-96.9102.1-179.200000107.7N4A2-N4 PolarHBondContact O-N 3.44Å
3D44.7Very low45.4Very low156 Ų156102.5 Ų102.583%0.83459%0.591SS**  trans-70.9107-179.7-66.6-33.8000109F5D3-F5 PolarHBondContact O-N 3.5Å
4N46.2Very low45Very low144 Ų144103.4 Ų103.477%0.7761%0.606SS**  trans-70.2122.9-162.6-167.744000110.2A2 S6A2-N4 PolarHBondContact O-N 3.44Å; N4-S6 PolarHBondContact O-N 3.12Å
5F48.3Very low44.5Very low49 Ų49101.1 Ų101.122%0.21561%0.614CS.*  trans-64.4104.6164-170.5-114.3000107.1D3 L7 A10 L131 D215D3-F5 PolarHBondContact O-N 3.5Å; F5-L7 PolarHBondContact O-N 3.14Å; F5-A10 HydrophobicContact CE1-CB 3.84Å; F5-A10 HydrophobicContact CZ-CB 4.3Å; F5-L131 HydrophobicContact CD1-CD2 4.35Å; F5-D215 WeakPolarHBondContact CD2-OD1 3.44Å
6S47.7Very low44Very low43 Ų43103.2 Ų103.230%0.30162%0.621SS.*  trans-65.8104.3-176.5179.80000108.9N4 H8 D9 A10N4-S6 PolarHBondContact O-N 3.12Å; S6-H8 PolarHBondContact O-N 3.04Å; S6-D9 WeakPolarHBondContact CB-OD2 3.22Å; S6-D9 PolarHBondContact O-N 3.2Å; S6-D9 PolarHBondContact OG-OD2 2.93Å; S6-A10 PolarHBondContact O-N 3.36Å
7L49.7Very low43.6Very low85 Ų85103.1 Ų103.145%0.44562%0.623SS.*Hα-helixtrans-54.8-23.4174.8-119.9156.4000111.6F5 A10 L11F5-L7 PolarHBondContact O-N 3.14Å; L7-A10 PolarHBondContact O-N 2.94Å; L7-L11 HydrophobicContact CD2-CD1 3.62Å; L7-L11 HydrophobicContact CD2-CG 3.98Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.95Å; L7-L11 VanDerWaalsContact O-N 3.13Å
8H46Very low43.2Very low149 Ų149104 Ų10469%0.6962%0.624SS**Hα-helixtrans-63.2-41.5171.4-101.170.3000113.2S6 A10 L11 S12S6-H8 PolarHBondContact O-N 3.04Å; H8-A10 VanDerWaalsContact C-N 3.31Å; H8-A10 PolarHBondContact O-N 3.08Å; H8-L11 PolarHBondContact O-N 2.82Å; H8-S12 WeakPolarHBondContact O-CB 3.28Å; H8-S12 PolarHBondContact O-N 2.75Å; H8-S12 PolarHBondContact O-OG 2.85Å
9D53.6Low43Very low110 Ų110103.6 Ų103.659%0.58862%0.624SS**Hα-helixtrans-73.2-28179-60.6-44.9000111.8S6 L11S6-D9 WeakPolarHBondContact CB-OD2 3.22Å; S6-D9 PolarHBondContact O-N 3.2Å; S6-D9 PolarHBondContact OG-OD2 2.93Å; D9-L11 VanDerWaalsContact C-N 3.35Å
10A47.1Very low42.8Very low23 Ų23103.8 Ų103.819%0.1962%0.618CS.*Hα-helixtrans-77.4-16174.200000114.4F5 S6 L7 H8 K210F5-A10 HydrophobicContact CE1-CB 3.84Å; F5-A10 HydrophobicContact CZ-CB 4.3Å; S6-A10 PolarHBondContact O-N 3.36Å; L7-A10 PolarHBondContact O-N 2.94Å; H8-A10 VanDerWaalsContact C-N 3.31Å; H8-A10 PolarHBondContact O-N 3.08Å; A10-K210 PolarHBondContact O-NZ 3.39Å
11L45.3Very low42.1Very low103 Ų103102.1 Ų102.154%0.53962%0.622SS.*Hα-helixtrans-113.8-26.6-177.8-68.9175.8000113.8L7 H8 D9 G13 S14L7-L11 HydrophobicContact CD2-CD1 3.62Å; L7-L11 HydrophobicContact CD2-CG 3.98Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.95Å; L7-L11 VanDerWaalsContact O-N 3.13Å; H8-L11 PolarHBondContact O-N 2.82Å; D9-L11 VanDerWaalsContact C-N 3.35Å; L11-G13 PolarHBondContact O-N 3.36Å; L11-S14 VanDerWaalsContact O-CB 3.26Å; L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 3.07Å; L11-S14 VanDerWaalsContact O-N 3.15Å; L11-S14 PolarHBondContact O-OG 3.25Å
12S44.3Very low42Very low86 Ų86101.2 Ų101.260%0.60161%0.606SS**G310 helixtrans-68.4-15.517962.30000113.4H8 S14H8-S12 WeakPolarHBondContact O-CB 3.28Å; H8-S12 PolarHBondContact O-N 2.75Å; H8-S12 PolarHBondContact O-OG 2.85Å; S12-S14 PolarHBondContact O-N 2.8Å
13G40.4Very low41.7Very low54 Ų54101.8 Ų101.856%0.55760%0.602SS**G310 helixtrans-70.8-3.8169.500000115.5L11 G15 N16L11-G13 PolarHBondContact O-N 3.36Å; G13-G15 PolarHBondContact O-N 2.99Å; G13-N16 PolarHBondContact O-N 3.33Å
14S40.8Very low41.1Very low115 Ų11597.4 Ų97.480%0.80459%0.593SS**G310 helixtrans-662.1-176.5520000115.9L11 S12L11-S14 VanDerWaalsContact O-CB 3.26Å; L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 3.07Å; L11-S14 VanDerWaalsContact O-N 3.15Å; L11-S14 PolarHBondContact O-OG 3.25Å; S12-S14 PolarHBondContact O-N 2.8Å
15G37.2Very low40.4Very low70 Ų7095.2 Ų95.272%0.72260%0.596SS**G310 helixtrans-104.6-3.9177.500000116.2G13 P17G13-G15 PolarHBondContact O-N 2.99Å; G15-P17 WeakPolarHBondContact O-CD 3.42Å
16N36.8Very low39.5Very low134 Ų134105.3 Ų105.372%0.71763%0.632SS**  trans-104.8103.2-175.8-1362.7000110.8G13 N18G13-N16 PolarHBondContact O-N 3.33Å; N16-N18 PolarHBondContact O-N 2.72Å
17P37Very low38.9Very low102 Ų102106.8 Ų106.866%0.66265%0.654SS**  trans-61139.3170.827.3-33.3000108.7G15 P19G15-P17 WeakPolarHBondContact O-CD 3.42Å; P17-P19 WeakPolarHBondContact O-CD 3.48Å
18N36.2Very low38.2Very low119 Ų119110.8 Ų110.864%0.63668%0.676SS**  trans-44110.7174.4169.525.1000110N16 Q20N16-N18 PolarHBondContact O-N 2.72Å; N18-Q20 PolarHBondContact ND2-O 2.74Å; N18-Q20 VanDerWaalsContact ND2-O 3.14Å; N18-Q20 PolarHBondContact O-N 2.71Å; N18-Q20 PolarHBondContact OD1-N 2.75Å; N18-Q20 VanDerWaalsContact OD1-N 3.17Å
19P38.6Very low37.7Very low97 Ų97112.1 Ų112.163%0.6368%0.683SS**SBendtrans-69.1-5.5-173.5-19.232.3000113.3P17P17-P19 WeakPolarHBondContact O-CD 3.48Å
20Q38.8Very low37.1Very low106 Ų106112.8 Ų112.850%0.49569%0.693SS.*  trans-116.372.7-178.9-94.268.642.800112.1N18 W22N18-Q20 PolarHBondContact ND2-O 2.74Å; N18-Q20 VanDerWaalsContact ND2-O 3.14Å; N18-Q20 PolarHBondContact O-N 2.71Å; N18-Q20 PolarHBondContact OD1-N 2.75Å; N18-Q20 VanDerWaalsContact OD1-N 3.17Å; Q20-W22 VanDerWaalsContact C-N 3.27Å; Q20-W22 VanDerWaalsContact CG-CD1 3.5Å; Q20-W22 HydrophobicContact CG-CG 4.44Å; Q20-W22 PolarHBondContact O-N 2.82Å; Q20-W22 VanDerWaalsContact O-N 3.12Å
21G28.6Very low36.7Very low69 Ų69116.5 Ų116.571%0.71172%0.723SS**  trans-71.583.3150.200000110.2P23G21-P23 WeakPolarHBondContact O-CD 3.25Å
22W35.4Very low36Very low212 Ų212115.6 Ų115.680%0.80374%0.739SS**  trans-92.1109.1173-76.4122.5000111.4Q20Q20-W22 VanDerWaalsContact C-N 3.27Å; Q20-W22 VanDerWaalsContact CG-CD1 3.5Å; Q20-W22 HydrophobicContact CG-CG 4.44Å; Q20-W22 PolarHBondContact O-N 2.82Å; Q20-W22 VanDerWaalsContact O-N 3.12Å
23P34.1Very low35.7Very low111 Ų111116.2 Ų116.272%0.72175%0.75SS**  trans-79.2148.2162.833.5-33.5000111G21G21-P23 WeakPolarHBondContact O-CD 3.25Å
24G32Very low35.5Very low64 Ų64117.7 Ų117.766%0.6677%0.765SS**SBendtrans66.6110.4144.500000120.2
25A29.7Very low35.3Very low99 Ų99115.4 Ų115.482%0.81876%0.759SS**  trans49.395.4138.300000119.8
26W31Very low35.5Very low261 Ų261123.1 Ų123.199%0.98977%0.768SS**  trans-140.3131.2151-79.594.2000111.7
27G34.3Very low35.6Very low74 Ų74122.8 Ų122.876%0.76377%0.773SS**  trans92.2104.7160.100000117.1Q29G27-Q29 PolarHBondContact O-N 2.68Å
28N35.2Very low35.8Very low169 Ų169121.5 Ų121.590%0.90478%0.779SS**PPolyproline II helixtrans-49.5132.1171.8-75.5-26.5000113.8
29Q35.5Very low35.9Very low177 Ų177120.8 Ų120.883%0.82779%0.79SS**PPolyproline II helixtrans-86.2138143.9-72.8-179.9-90.200108.5G27 A31G27-Q29 PolarHBondContact O-N 2.68Å; Q29-A31 PolarHBondContact O-N 3.05Å
30P40.6Very low35.8Very low124 Ų124120.5 Ų120.581%0.80579%0.79SS**PPolyproline II helixtrans-63.1131.9166.2-17.431000109.7
31A37.8Very low36Very low100 Ų100125.9 Ų125.983%0.82681%0.807SS**PPolyproline II helixtrans-64.1142171.300000110.2Q29Q29-A31 PolarHBondContact O-N 3.05Å
32G31.9Very low36.7Very low84 Ų84128.3 Ų128.387%0.86681%0.811SS**PPolyproline II helixtrans-69.4133.2171.700000111.2
33A37.3Very low37Very low100 Ų100122 Ų12283%0.82681%0.811SS**  trans-146.9117.9162.500000108.6
34G36.5Very low37.2Very low85 Ų85121.3 Ų121.388%0.87681%0.814SS**  trans-85160.8163.700000110.4
35G36.3Very low37.7Very low67 Ų67129.4 Ų129.469%0.69183%0.827SS**  trans114.877.6167.300000116
36Y41.8Very low38.2Very low232 Ų232130.6 Ų130.691%0.9183%0.826SS**  trans41.6154138.2-61.8-71.5000123
37P39.4Very low38.7Very low126 Ų126122.1 Ų122.182%0.81882%0.82SS**  trans-110.9164.7-144.941.2-35.1000116
38G40Very low39.1Very low76 Ų76127.9 Ų127.978%0.78483%0.827SS**  trans-174.8149.5164.300000114.5
39A40.2Very low39.6Very low104 Ų104124 Ų12486%0.8682%0.818SS**  trans69.897.4166.600000120.3
40S36.1Very low40.6Very low91 Ų91121.1 Ų121.164%0.63682%0.815SS**  trans-36.8147.4144.948.90000115.5
41Y42.6Very low41.3Very low219 Ų219121.4 Ų121.486%0.85982%0.817SS**  -166.5168.170.1-99-86.8000111.5
42P42.2Very low41.6Very low120 Ų120119.9 Ų119.978%0.77981%0.811SS**  trans-102.5161.6-164.539.5-32.9000115.3
43G42.2Very low42Very low78 Ų78120.8 Ų120.880%0.80481%0.81SS**  trans-127.3125.7166.200000111
44A39.5Very low42.5Very low97 Ų97126.7 Ų126.780%0.80281%0.813SS**  trans-96.8139178.200000111.2
45Y42.2Very low42.7Very low235 Ų235128.8 Ų128.892%0.92281%0.81SS**  trans-131.6127.8161.6-88.8-83.9000109.3
46P40.6Very low43.2Very low123 Ų123129.2 Ų129.280%0.79982%0.815SS**  trans-93.9151-177.735.6-33.6000112.9
47G40.6Very low43.3Very low83 Ų83127.5 Ų127.586%0.85682%0.815SS**  trans77.396.2145.100000118.2
48Q42.4Very low43.6Very low195 Ų195125.8 Ų125.891%0.91181%0.812SS**  trans-134.7117.7146.3-159.2170.114.200108.9
49A47.2Very low44.5Very low88 Ų88127.9 Ų127.973%0.72781%0.812SS**PPolyproline II helixtrans-78151.5179.700000111.2
50P55.4Low45.3Very low116 Ų116129.1 Ų129.175%0.75381%0.811SS**PPolyproline II helixtrans-69.9151.2177.628.8-34.2000111.7
51P56.1Low45.6Very low130 Ų130127.8 Ų127.884%0.84481%0.812SS**PPolyproline II helixtrans-59.4147.9175.2-23.734.6000113.1
52G44.4Very low45.6Very low68 Ų68122.3 Ų122.370%0.70181%0.812SS**PPolyproline II helixtrans-66.3156.4-173.400000115.2
53A39.7Very low45.9Very low103 Ų103127.6 Ų127.685%0.85182%0.818SS**PPolyproline II helixtrans-70.9138.5177.600000112.4
54Y47.2Very low45.8Very low225 Ų225130 Ų13088%0.88282%0.819SS**PPolyproline II helixtrans-71.9128.9169.5-71.4-95.7000110.6
55P41.8Very low45.9Very low128 Ų128129.3 Ų129.383%0.83182%0.821SS**PPolyproline II helixtrans-86.6132.216733.1-29.8000110.3
56G45.1Very low46Very low76 Ų76122.8 Ų122.878%0.78482%0.816SS**  trans122.978.1159.800000117.2
57Q44.7Very low46.1Very low196 Ų196122.4 Ų122.492%0.91681%0.814SS**  trans-153.8114.5133.6-124.7172.8-5.400109.8
58A46.5Very low46.1Very low91 Ų91122.3 Ų122.375%0.75281%0.813SS**PPolyproline II helixtrans-78.7137.9173.300000109.6
59P57.6Low46Very low119 Ų119116.8 Ų116.877%0.77380%0.8SS**PPolyproline II helixtrans-74.3136173.230.3-32.8000110.4G61P59-G61 PolarHBondContact O-N 2.92Å
60P56.4Low46.2Very low131 Ų131123.4 Ų123.485%0.85181%0.808SS**PPolyproline II helixtrans-69.2127172.5-19.632.7000112.4
61G44.3Very low45.4Very low63 Ų63124.3 Ų124.365%0.64981%0.814SS**  trans45.3102.3144.400000119.3P59 Y63P59-G61 PolarHBondContact O-N 2.92Å; G61-Y63 PolarHBondContact O-N 2.76Å
62A41.1Very low44.7Very low104 Ų104121.8 Ų121.886%0.8681%0.811SS**PPolyproline II helixtrans-66.7122.4157.400000110.4
63Y48.1Very low45Very low231 Ų231123.1 Ų123.191%0.90682%0.816SS**PPolyproline II helixtrans-86.3121.9164.9-81.9-92.5000109.8G61G61-Y63 PolarHBondContact O-N 2.76Å
64P41.3Very low45.2Very low128 Ų128124.2 Ų124.283%0.83182%0.815SS**PPolyproline II helixtrans-84.2125.5167.632.3-29.8000109.8
65G40.5Very low45.1Very low82 Ų82117.8 Ų117.885%0.84581%0.808SS**  trans177.566.4-177.300000117
66A45.4Very low45.2Very low98 Ų98117.4 Ų117.481%0.8181%0.805SS**  trans-153.5160.916100000109.4
67P43.1Very low45Very low116 Ų116117.3 Ų117.375%0.75380%0.804SS**  cis-125144.8-9.434.7-18.8000113.6A69P67-A69 PolarHBondContact O-N 3.08Å
68G40Very low44.7Very low81 Ų81114 Ų11484%0.83580%0.797SS**  trans-87.296167.200000111.3
69A41.1Very low45Very low79 Ų79120 Ų12065%0.65380%0.801SS**  trans-125.2113.3173.900000110.4P67P67-A69 PolarHBondContact O-N 3.08Å
70Y50.6Low44.4Very low226 Ų226120 Ų12089%0.88680%0.802SS**  trans-136.5141.6167.7-59.2-70000110.2
71P39.4Very low43.8Very low135 Ų135117 Ų11788%0.87779%0.794SS**  trans-113.4165.3-163.541-32.3000114.7
72G40Very low44.6Very low77 Ų77120 Ų12079%0.79480%0.803SS**  trans153.1139.8164.200000110.6
73A52.1Low45Very low96 Ų96120 Ų12079%0.79379%0.794SS**  cis-167173.3-4.700000105.7
74P42.7Very low44.9Very low127 Ų127114.8 Ų114.883%0.82579%0.791SS**  trans-94.3166.3-148.337-38.4000117.3
75A45.4Very low45.4Very low89 Ų89112.1 Ų112.174%0.73679%0.787SS**  trans-63.7178.1157.700000111.1
76P43.8Very low45.6Very low121 Ų121114.9 Ų114.979%0.78679%0.79SS**  cis-141.4176.317.542.5-22.8000117.3
77G40.6Very low45.5Very low73 Ų73114.1 Ų114.175%0.75379%0.792SS**  trans-129.5103.7169.400000112
78V38.9Very low45.2Very low127 Ų127112 Ų11277%0.7778%0.784SS**  trans-111.8133.9173.2175.80000108.5
79Y53.1Low45.6Very low216 Ų216118.7 Ų118.785%0.84779%0.786SS**  trans-122.3153.5168-75.4-81.2000110.5
80P44.7Very low45.8Very low121 Ų121120.7 Ų120.779%0.78679%0.792SS**  trans-104.6163-1502.320.6000115.3
81G43.6Very low45.3Very low67 Ų67115.7 Ų115.769%0.69179%0.79SS**  trans-80.3-143.2158.700000111.4
82P60.8Low45.6Very low126 Ų126115 Ų11582%0.81879%0.788SS**  cis-121.5-131.51.629.4-2.9000108.6
83P50.4Low45.6Very low105 Ų105114.5 Ų114.568%0.68278%0.783SS**  cis-139.9156.1-16.142.4-24000118.6
84S46.2Very low45.4Very low120 Ų120119 Ų11984%0.83979%0.788SS**  trans31.9134.7141.367.60000124.7
85G50.7Low45.4Very low72 Ų72117.9 Ų117.974%0.74278%0.781SS**  trans-163.2137.3152.300000111.7
86P45.1Very low45.1Very low140 Ų140119.3 Ų119.391%0.90979%0.785SS**  trans-116.5168.2-158.741.7-32.8000116.3
87G42.9Very low45Very low83 Ų83118.5 Ų118.586%0.85679%0.789SS**  trans165.9106.6162.100000115.7
88A36.9Very low44.6Very low72 Ų72121.9 Ų121.960%0.59580%0.795SS**  trans-104.4151.4167.900000110.3
89Y48.6Very low44.5Very low221 Ų221119.3 Ų119.387%0.86779%0.794SS**  148.8178.6104.2-74-66.5000107.3
90P44.8Very low43.7Very low121 Ų121114 Ų11479%0.78680%0.795SS**  -128.5-172.5-57.839.6-24000112.8
91S40.9Very low43.7Very low121 Ų121118.5 Ų118.585%0.84680%0.798SS**  trans-66.5137.3-178.2171.70000117
92S44.8Very low43.8Very low120 Ų120121.1 Ų121.184%0.83980%0.803SS**  trans-162.2151144.661.80000108.8
93G40.5Very low42.9Very low66 Ų66120.1 Ų120.168%0.6881%0.805SS**  cis179.2147.2-13.700000111.4
94Q48.7Very low42.4Very low192 Ų192121.5 Ų121.590%0.89781%0.812SS**  trans64.3164.7164.6-81.3177.7-117.900119.8
95P43.2Very low42.2Very low103 Ų103118 Ų11867%0.66979%0.794SS**  cis-131.5163.5-39.133.9-17.4000114.3
96S38.9Very low41.6Very low119 Ų119120.8 Ų120.883%0.83280%0.799SS**  trans-19.8127.6164.952.50000119.5
97A40.6Very low41.8Very low104 Ų104124.4 Ų124.486%0.8680%0.796SS**  trans-140.4135.3149.200000111
98T33.1Very low41.7Very low143 Ų143124 Ų12488%0.87779%0.793SS**  trans-63.6142.9-173.947.40000115.6
99G35.3Very low42.4Very low73 Ų73124.6 Ų124.675%0.75380%0.798SS**  trans77.484.9145.500000117.5
100A36.7Very low42.3Very low105 Ų105118.8 Ų118.887%0.86879%0.787SS**  trans-115.799.8166.800000110.6
101Y45Very low42.9Very low215 Ų215118.7 Ų118.784%0.84380%0.796SS**PPolyproline II helixtrans-68.5147.9164.7-64.8-90.6000109.4A103Y101-A103 PolarHBondContact O-N 2.87Å
102P45.7Very low44.2Very low123 Ų123114.9 Ų114.980%0.79978%0.776SS**PPolyproline II helixtrans-61.5131.6177-20.332.4000111T104P102-T104 PolarHBondContact O-N 3.31Å
103A41.4Very low45.9Very low104 Ų104114.1 Ų114.186%0.8677%0.768SS**PPolyproline II helixtrans-62.6124.2-176.700000112Y101 G105Y101-A103 PolarHBondContact O-N 2.87Å; A103-G105 PolarHBondContact O-N 3.31Å
104T40.6Very low48.5Very low135 Ų135112.4 Ų112.483%0.82874%0.743SS**PPolyproline II helixtrans-75.6116.4171.650.70000110.1P102P102-T104 PolarHBondContact O-N 3.31Å
105G42.7Very low50.8Low46 Ų46109.8 Ų109.847%0.47473%0.734SS.*PPolyproline II helixtrans-68.9164.6170.300000112.6A103 Y107A103-G105 PolarHBondContact O-N 3.31Å; G105-Y107 PolarHBondContact O-N 3.4Å
106P37.2Very low53.4Low131 Ų131106.7 Ų106.785%0.85171%0.713SS**SBendtrans-65.6-4.1-173.9-22.134.4000116.1
107Y48.9Very low56.2Low215 Ų215106.1 Ų106.184%0.84371%0.707SS**SBendtrans-130.3103.5171.3-64.8-85.3000107.3G105 A109G105-Y107 PolarHBondContact O-N 3.4Å; Y107-A109 PolarHBondContact O-N 3.33Å
108G41.6Very low59Low76 Ų76104.2 Ų104.278%0.78468%0.677SS**  trans-73.850.9-166.900000116
109A52.1Low62.1Low84 Ų84100.8 Ų100.869%0.69465%0.654SS**  trans-82.8122.2165.700000109.2Y107 A111Y107-A109 PolarHBondContact O-N 3.33Å; A109-A111 PolarHBondContact O-N 3.17Å
110P45.8Very low65.1Low99 Ų9998 Ų9864%0.64362%0.621SS**  trans-65.5120.7174.726.2-32.4000109.6G112 L114P110-G112 PolarHBondContact O-N 2.99Å; P110-L114 HydrophobicContact CG-CD2 4.39Å
111A56.9Low68Low119 Ų11996.4 Ų96.498%0.98360%0.603SS**SBendtrans-77.129.9-177.300000114A109A109-A111 PolarHBondContact O-N 3.17Å
112G68.7Low70.6Confident40 Ų4086.2 Ų86.241%0.41256%0.562SS.*SBendtrans-125.3164.1178.300000111.4P110 L114P110-G112 PolarHBondContact O-N 2.99Å; G112-L114 PolarHBondContact O-N 3.25Å
113P79.7Confident73Confident104 Ų10484.9 Ų84.968%0.67555%0.554SS**PPolyproline II helixtrans-58.6138.7176.626.3-34.5000110.6I115P113-I115 PolarHBondContact O-N 3.33Å
114L95.5Very high75.7Confident30 Ų3083.2 Ų83.216%0.15755%0.547CS..BIsolated β-bridgetrans-71.5131.1179.1-63.2-179.7000109.6P110 G112 V116 Y118 L242P110-L114 HydrophobicContact CG-CD2 4.39Å; G112-L114 PolarHBondContact O-N 3.25Å; L114-V116 PolarHBondContact O-N 2.81Å; L114-Y118 HydrophobicContact CB-CD2 4.03Å; L114-Y118 HydrophobicContact CB-CE2 4.27Å; L114-Y118 HydrophobicContact CD1-CD2 4.34Å; L114-Y118 HydrophobicContact CD1-CE1 4.24Å; L114-Y118 HydrophobicContact CD1-CE2 4Å; L114-Y118 HydrophobicContact CD2-CE2 3.97Å; L114-Y118 HydrophobicContact CG-CE2 4.31Å; L114-L242 HydrophobicContact CB-CB 4.07Å; L114-L242 HydrophobicContact CB-CD2 3.76Å; L114-L242 HydrophobicContact CB-CG 3.9Å; L114-L242 HydrophobicContact CD1-CD2 3.91Å; L114-L242 HydrophobicContact CD1-CG 4.05Å; L114-L242 HydrophobicContact CG-CD2 4.49Å; L114-L242 PolarHBondContact N-O 3.47Å
115I97.5Very high78.5Confident137 Ų13777 Ų7770%0.70351%0.51SS*.PPolyproline II helixtrans-67.8132.8179.5-58.8-59.3000110P113 P117 Y118P113-I115 PolarHBondContact O-N 3.33Å; I115-P117 CarbonylContact O-C 3.57Å; I115-Y118 WeakPolarHBondContact O-CA 3.07Å; I115-Y118 WeakPolarHBondContact O-CB 3.39Å; I115-Y118 PolarHBondContact O-N 3.13Å
116V98.1Very high81.1Confident38 Ų3874.9 Ų74.923%0.2349%0.488CS..SBendtrans-108130.1178-178.50000108.6L114 I240 L242L114-V116 PolarHBondContact O-N 2.81Å; V116-I240 HydrophobicContact CG1-CG1 4.35Å; V116-I240 HydrophobicContact CG2-CD1 4.48Å; V116-I240 HydrophobicContact CG2-CG1 4.04Å; V116-L242 HydrophobicContact CG2-CB 3.67Å
117P98.3Very high84Confident108 Ų10872.1 Ų72.170%0.70147%0.468SS*.SBendcis-67.6133.23.9-19.733.4000114I115 I236I115-P117 CarbonylContact O-C 3.57Å; P117-I236 CarbonylContact C-O 3.54Å; P117-I236 VanDerWaalsContact CA-O 3.31Å; P117-I236 WeakPolarHBondContact CA-O 3.26Å
118Y98.4Very high86.4Confident63 Ų6364.1 Ų64.125%0.24744%0.442CS..EExtended strand (participates in β ladder)trans-102.3145.7176.7-173.5-104.8000110.1L114 I115 L120 G235 I236 L242 A245L114-Y118 HydrophobicContact CB-CD2 4.03Å; L114-Y118 HydrophobicContact CB-CE2 4.27Å; L114-Y118 HydrophobicContact CD1-CD2 4.34Å; L114-Y118 HydrophobicContact CD1-CE1 4.24Å; L114-Y118 HydrophobicContact CD1-CE2 4Å; L114-Y118 HydrophobicContact CD2-CE2 3.97Å; L114-Y118 HydrophobicContact CG-CE2 4.31Å; I115-Y118 WeakPolarHBondContact O-CA 3.07Å; I115-Y118 WeakPolarHBondContact O-CB 3.39Å; I115-Y118 PolarHBondContact O-N 3.13Å; Y118-L120 HydrophobicContact CD1-CB 4.34Å; Y118-L120 HydrophobicContact CE1-CB 3.91Å; Y118-L120 HydrophobicContact CE1-CD1 4.4Å; Y118-G235 CarbonylContact O-C 3.48Å; Y118-G235 WeakPolarHBondContact O-CA 3.33Å; Y118-I236 HydrophobicContact CD1-CD1 4.24Å; Y118-I236 PolarHBondContact N-O 3.23Å; Y118-I236 PolarHBondContact O-N 2.81Å; Y118-L242 VanDerWaalsContact CB-CD2 3.46Å; Y118-L242 HydrophobicContact CD1-CD2 3.82Å; Y118-L242 HydrophobicContact CD2-CD2 4.37Å; Y118-L242 HydrophobicContact CG-CD2 3.63Å; Y118-A245 HydrophobicContact CD1-CB 4.12Å; Y118-A245 HydrophobicContact CE1-CB 3.92Å
119N98.2Very high89.1Confident72 Ų7267.9 Ų67.939%0.38543%0.433SS..EExtended strand (participates in β ladder)trans-123108.4173.9176.294.3000109.4P121N119-P121 WeakPolarHBondContact O-CD 3.45Å
120L98.3Very high91.3Very high13 Ų1364.2 Ų64.27%0.06840%0.402CS..EExtended strand (participates in β ladder)trans-85.1115.6171.5-179.561.9000109Y118 L122 I132 L234 A245 Y247Y118-L120 HydrophobicContact CD1-CB 4.34Å; Y118-L120 HydrophobicContact CE1-CB 3.91Å; Y118-L120 HydrophobicContact CE1-CD1 4.4Å; L120-L122 HydrophobicContact CD2-CD2 4.19Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L120-I132 HydrophobicContact CD2-CG2 4.36Å; L120-L234 HydrophobicContact CB-CB 4.29Å; L120-L234 HydrophobicContact CD2-CD2 4.4Å; L120-L234 PolarHBondContact N-O 3.12Å; L120-L234 PolarHBondContact O-N 2.9Å; L120-A245 HydrophobicContact CD2-CB 4.27Å; L120-Y247 HydrophobicContact CD2-CD1 4.28Å
121P98.5Very high93.9Very high73 Ų7360.1 Ų60.147%0.47437%0.374SS..EExtended strand (participates in β ladder)trans-67143.2170.7-16.632.2000110.5N119N119-P121 WeakPolarHBondContact O-CD 3.45Å
122L98.5Very high95.8Very high0 Ų054.4 Ų54.40%033%0.327CS..  trans-123.880.2174.3-56174.1000108L120 G124 G125 V126 M130 F149 S232 L234 Y247L120-L122 HydrophobicContact CD2-CD2 4.19Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L122-G124 PolarHBondContact O-N 3.26Å; L122-G125 WeakPolarHBondContact O-CA 3.14Å; L122-G125 PolarHBondContact O-N 2.88Å; L122-V126 HydrophobicContact CD1-CG1 3.78Å; L122-M130 HydrophobicContact CB-CE 4.49Å; L122-M130 HydrophobicContact CD2-CE 3.84Å; L122-F149 HydrophobicContact CD1-CD1 4.26Å; L122-F149 HydrophobicContact CD1-CE1 4.37Å; L122-S232 PolarHBondContact N-O 3.06Å; L122-S232 WeakPolarHBondContact O-CA 3.26Å; L122-L234 HydrophobicContact CD1-CB 4.04Å; L122-Y247 HydrophobicContact CD2-CD1 3.63Å; L122-Y247 HydrophobicContact CD2-CE1 3.98Å; L122-Y247 HydrophobicContact CD2-CG 4.3Å
123P97.4Very high97.3Very high96 Ų9653.9 Ų53.962%0.62332%0.316SS*.THydrogen-bonded Turntrans-63.1130-176.3-20.333.7000111.3Y247P123-Y247 WeakPolarHBondContact CD-OH 3.5Å
124G97Very high98.2Very high68 Ų6849 Ų4970%0.70128%0.284SS*.THydrogen-bonded Turntrans80.50.9-171.600000114.6L122 N229L122-G124 PolarHBondContact O-N 3.26Å; G124-N229 CarbonylContact C-O 3.22Å; G124-N229 VanDerWaalsContact O-CA 3.29Å; G124-N229 WeakPolarHBondContact O-CA 3.36Å
125G98.5Very high98.3Very high5 Ų550.5 Ų50.55%0.05229%0.292CS..  trans78.3-160.2-178.700000113.4L122 N229 I231L122-G125 WeakPolarHBondContact O-CA 3.14Å; L122-G125 PolarHBondContact O-N 2.88Å; G125-N229 WeakPolarHBondContact CA-O 3.4Å; G125-I231 VanDerWaalsContact CA-O 3.31Å; G125-I231 WeakPolarHBondContact CA-O 3.1Å
126V98.7Very high98.4Very high2 Ų244.1 Ų44.11%0.01226%0.26CS..  trans-96149173.4-55.50000111.3L122 M130 F149 V204 F209 L228 I231L122-V126 HydrophobicContact CD1-CG1 3.78Å; V126-M130 HydrophobicContact CB-SD 4.01Å; V126-M130 HydrophobicContact CG1-SD 3.94Å; V126-F149 HydrophobicContact CG1-CD1 4.39Å; V126-V204 HydrophobicContact CB-CG1 4.35Å; V126-V204 HydrophobicContact CB-CG2 4.03Å; V126-V204 HydrophobicContact CG1-CG2 4.47Å; V126-V204 HydrophobicContact CG2-CG1 4.18Å; V126-V204 HydrophobicContact CG2-CG2 4.44Å; V126-F209 HydrophobicContact CG2-CE1 4.18Å; V126-F209 HydrophobicContact CG2-CZ 4.21Å; V126-L228 HydrophobicContact CG2-CB 3.83Å; V126-L228 HydrophobicContact CG2-CD2 4.22Å; V126-L228 HydrophobicContact CG2-CG 4.48Å; V126-L228 PolarHBondContact N-O 3.47Å; V126-L228 CarbonylContact O-C 3.58Å; V126-L228 VanDerWaalsContact O-CB 3.23Å; V126-L228 WeakPolarHBondContact O-CB 3.47Å; V126-I231 HydrophobicContact CG1-CB 4.47Å; V126-I231 HydrophobicContact CG1-CG2 4.37Å; V126-I231 HydrophobicContact CG2-CB 4.13Å; V126-I231 HydrophobicContact CG2-CD1 3.94Å
127V98.5Very high98.4Very high72 Ų7244.7 Ų44.744%0.43626%0.264SS..  trans-140.1146.6-177.960.50000108.9R129 M130 V204 M249V127-R129 PolarHBondContact O-N 2.91Å; V127-M130 HydrophobicContact CG1-CB 4.22Å; V127-M130 WeakPolarHBondContact O-CB 3.38Å; V127-M130 PolarHBondContact O-N 2.96Å; V127-V204 WeakPolarHBondContact O-CB 3.41Å; V127-V204 WeakPolarHBondContact O-CG1 3.31Å; V127-M249 HydrophobicContact CG1-CE 3.77Å; V127-M249 HydrophobicContact CG1-SD 3.84Å
128P98.6Very high98.4Very high47 Ų4739.6 Ų39.631%0.30523%0.23SC..THydrogen-bonded Turntrans-51.4142.9174-29.637.6000112.3M130 V204 P206 M249P128-M130 VanDerWaalsContact C-N 3.29Å; P128-V204 CarbonylContact C-O 3.53Å; P128-V204 VanDerWaalsContact CA-O 3.31Å; P128-V204 WeakPolarHBondContact CA-O 3.37Å; P128-P206 HydrophobicContact CB-CG 4.25Å; P128-P206 HydrophobicContact CG-CG 4.39Å; P128-M249 WeakPolarHBondContact O-CE 3.31Å
129R98.4Very high98.4Very high156 Ų15640 Ų4059%0.58923%0.234SC*.THydrogen-bonded Turntrans73.33.8-169.7-45.1175.565110.24.2116V127 L131 V204 M249 I250V127-R129 PolarHBondContact O-N 2.91Å; R129-L131 PolarHBondContact O-N 3.04Å; R129-V204 PolarHBondContact N-O 2.8Å; R129-M249 HydrophobicContact CB-CE 3.9Å; R129-I250 WeakPolarHBondContact CB-O 3.37Å; R129-I250 VanDerWaalsContact CZ-O 3.31Å; R129-I250 PolarHBondContact NE-O 3.37Å; R129-I250 VanDerWaalsContact NH2-C 3.27Å; R129-I250 PolarHBondContact NH2-O 3.31Å; R129-I250 VanDerWaalsContact NH2-O 3.08Å; R129-I250 PolarHBondContact NH2-OXT 2.76Å; R129-I250 WeakPolarHBondContact O-CG1 3.29Å; R129-I250 PolarHBondContact O-N 2.68Å
130M98.7Very high98.4Very high7 Ų741.2 Ų41.23%0.03425%0.245CC..EExtended strand (participates in β ladder)trans-74.7122.4167.9-170.4-176-153.500110L122 V126 V127 P128 I132 V204 Y247 M249L122-M130 HydrophobicContact CB-CE 4.49Å; L122-M130 HydrophobicContact CD2-CE 3.84Å; V126-M130 HydrophobicContact CB-SD 4.01Å; V126-M130 HydrophobicContact CG1-SD 3.94Å; V127-M130 HydrophobicContact CG1-CB 4.22Å; V127-M130 WeakPolarHBondContact O-CB 3.38Å; V127-M130 PolarHBondContact O-N 2.96Å; P128-M130 VanDerWaalsContact C-N 3.29Å; M130-I132 HydrophobicContact CG-CD1 4.07Å; M130-I132 HydrophobicContact SD-CD1 4.21Å; M130-V204 HydrophobicContact CB-CB 4.27Å; M130-V204 HydrophobicContact CB-CG2 4.09Å; M130-V204 WeakPolarHBondContact O-CG2 3.49Å; M130-V204 PolarHBondContact O-N 3.36Å; M130-Y247 HydrophobicContact CE-CD1 4.08Å; M130-Y247 HydrophobicContact CE-CD2 3.35Å; M130-Y247 HydrophobicContact CE-CE1 4.46Å; M130-Y247 HydrophobicContact CE-CE2 3.81Å; M130-Y247 HydrophobicContact CE-CG 3.51Å; M130-M249 HydrophobicContact CB-CE 4.49Å; M130-M249 HydrophobicContact CB-SD 3.9Å; M130-M249 HydrophobicContact CG-SD 4.25Å
131L98.8Very high98.4Very high12 Ų1248.1 Ų48.16%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-107.4112.4175.3178.463.7000109.6F5 R129 Q201 L203 Y247 T248 I250F5-L131 HydrophobicContact CD1-CD2 4.35Å; R129-L131 PolarHBondContact O-N 3.04Å; L131-Q201 HydrophobicContact CD1-CB 4.17Å; L131-L203 HydrophobicContact CB-CD1 4.37Å; L131-L203 HydrophobicContact CD1-CB 4.2Å; L131-Y247 CarbonylContact O-C 3.55Å; L131-Y247 VanDerWaalsContact O-CA 3.24Å; L131-Y247 WeakPolarHBondContact O-CA 3.46Å; L131-T248 HydrophobicContact CB-CG2 4.25Å; L131-T248 PolarHBondContact N-O 3.4Å; L131-T248 PolarHBondContact O-N 2.98Å; L131-I250 HydrophobicContact CB-CG1 4.48Å; L131-I250 HydrophobicContact CB-CG2 3.95Å; L131-I250 HydrophobicContact CD2-CG2 3.87Å
132I98.8Very high98.4Very high0 Ų045.1 Ų45.10%026%0.263CS..EExtended strand (participates in β ladder)trans-91.7132.5172.1-56.384.2000108.2L120 M130 I134 F149 Q201 V202 V204 L234 S246L120-I132 HydrophobicContact CD2-CG2 4.36Å; M130-I132 HydrophobicContact CG-CD1 4.07Å; M130-I132 HydrophobicContact SD-CD1 4.21Å; I132-I134 HydrophobicContact CG2-CG1 4.38Å; I132-F149 HydrophobicContact CD1-CE1 4.15Å; I132-F149 HydrophobicContact CD1-CZ 4.46Å; I132-F149 HydrophobicContact CG1-CE1 4.32Å; I132-Q201 CarbonylContact O-C 3.53Å; I132-Q201 VanDerWaalsContact O-CA 3.31Å; I132-Q201 WeakPolarHBondContact O-CA 3.38Å; I132-V202 HydrophobicContact CB-CB 4.39Å; I132-V202 WeakPolarHBondContact CD1-O 3.37Å; I132-V202 PolarHBondContact N-O 2.74Å; I132-V202 PolarHBondContact O-N 3.44Å; I132-V204 HydrophobicContact CD1-CG2 3.88Å; I132-L234 HydrophobicContact CG2-CD2 3.72Å; I132-S246 WeakPolarHBondContact CA-O 3.27Å; I132-S246 WeakPolarHBondContact CG2-O 3.36Å
133T98.7Very high98.4Very high28 Ų2849.5 Ų49.517%0.17229%0.287CS..EExtended strand (participates in β ladder)trans-122.7132.6176.2-56.60000110.5L135 K199 Q201 A245 S246T133-L135 HydrophobicContact CG2-CD2 4.29Å; T133-L135 HydrophobicContact CG2-CG 4.45Å; T133-K199 HydrophobicContact CG2-CD 4.4Å; T133-K199 HydrophobicContact CG2-CG 4.32Å; T133-Q201 HydrophobicContact CG2-CG 3.97Å; T133-A245 WeakPolarHBondContact O-CA 3.4Å; T133-S246 PolarHBondContact N-O 3.44Å; T133-S246 PolarHBondContact O-N 2.75Å
134I98.7Very high98.4Very high1 Ų148.7 Ų48.71%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-128.5123.1179.7-57.8159.5000108.3I132 L147 F198 K199 I200 L234 I236 L242 S244 A245I132-I134 HydrophobicContact CG2-CG1 4.38Å; I134-L147 HydrophobicContact CD1-CD1 3.54Å; I134-L147 HydrophobicContact CD1-CD2 3.55Å; I134-L147 HydrophobicContact CD1-CG 4.2Å; I134-F198 HydrophobicContact CG2-CE2 4.16Å; I134-K199 CarbonylContact O-C 3.56Å; I134-K199 WeakPolarHBondContact O-CA 3.23Å; I134-I200 HydrophobicContact CB-CB 4.35Å; I134-I200 PolarHBondContact N-O 2.88Å; I134-I200 PolarHBondContact O-N 2.89Å; I134-L234 HydrophobicContact CD1-CD2 4.17Å; I134-I236 HydrophobicContact CD1-CD1 3.98Å; I134-I236 HydrophobicContact CG1-CD1 3.93Å; I134-I236 HydrophobicContact CG2-CD1 4.14Å; I134-L242 HydrophobicContact CG2-CD1 3.62Å; I134-S244 WeakPolarHBondContact CA-O 3.15Å; I134-A245 HydrophobicContact CG1-CB 4.48Å
135L98.5Very high98.5Very high63 Ų6345.5 Ų45.533%0.3324%0.238SC..EExtended strand (participates in β ladder)trans-115.7136.7175.9-56.7-178.6000110.1T133 K199 T243 S244T133-L135 HydrophobicContact CG2-CD2 4.29Å; T133-L135 HydrophobicContact CG2-CG 4.45Å; L135-K199 HydrophobicContact CD2-CB 3.56Å; L135-K199 HydrophobicContact CD2-CD 3.81Å; L135-K199 HydrophobicContact CD2-CG 3.53Å; L135-T243 WeakPolarHBondContact O-CA 3.46Å; L135-T243 WeakPolarHBondContact O-CB 3.23Å; L135-T243 PolarHBondContact O-N 2.95Å; L135-S244 PolarHBondContact N-O 3.43Å; L135-S244 PolarHBondContact O-N 3.25Å
136G98.1Very high98.5Very high3 Ų345.3 Ų45.33%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-172.2-174.2175.400000112.4P197 F198 D241G136-P197 CarbonylContact O-C 3.51Å; G136-P197 VanDerWaalsContact O-CA 3.31Å; G136-P197 WeakPolarHBondContact O-CA 3.49Å; G136-F198 VanDerWaalsContact C-CE1 3.47Å; G136-F198 PolarHBondContact N-O 2.9Å; G136-F198 VanDerWaalsContact O-CD1 3.3Å; G136-F198 WeakPolarHBondContact O-CD1 3.13Å; G136-F198 PolarHBondContact O-N 2.91Å; G136-D241 CarbonylContact C-O 3.41Å; G136-D241 WeakPolarHBondContact CA-O 3.39Å
137T98.6Very high98.5Very high50 Ų5045.2 Ų45.231%0.30724%0.236SC..EExtended strand (participates in β ladder)trans-121.1132.8173.9-64.20000109.1I240 D241T137-I240 CarbonylContact O-C 3.52Å; T137-I240 VanDerWaalsContact O-CA 3.27Å; T137-I240 WeakPolarHBondContact O-CA 2.87Å; T137-D241 PolarHBondContact N-O 2.72Å; T137-D241 PolarHBondContact O-N 3.23Å
138V98.8Very high98.6Very high1 Ų143 Ų431%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-70.2132.5172.3-172.60000108.4A142 I145 F163 F192 E193 G195 K196 F198V138-A142 HydrophobicContact CG1-CB 3.46Å; V138-A142 VanDerWaalsContact CG1-CB 3.46Å; V138-I145 HydrophobicContact CG2-CD1 4.19Å; V138-F163 HydrophobicContact CG1-CE1 3.9Å; V138-F163 HydrophobicContact CG1-CE2 4.27Å; V138-F163 HydrophobicContact CG1-CZ 3.49Å; V138-F163 VanDerWaalsContact CG1-CZ 3.49Å; V138-F163 HydrophobicContact CG2-CZ 4.38Å; V138-F192 HydrophobicContact CG2-CB 4.38Å; V138-F192 HydrophobicContact CG2-CD1 4.5Å; V138-E193 WeakPolarHBondContact CB-O 3.39Å; V138-G195 WeakPolarHBondContact O-CA 3.44Å; V138-G195 PolarHBondContact O-N 2.93Å; V138-K196 PolarHBondContact N-O 2.86Å; V138-F198 HydrophobicContact CG2-CD1 3.62Å; V138-F198 HydrophobicContact CG2-CE1 4.13Å
139K98.5Very high98.6Very high72 Ų7240.8 Ų40.831%0.31321%0.207SC..PPolyproline II helixtrans-65.4152.8177.7-76.2174.7165.4144.20111.8A142 G195 D239 I240 D241K139-A142 WeakPolarHBondContact O-CB 3.46Å; K139-A142 PolarHBondContact O-N 2.81Å; K139-G195 PolarHBondContact O-N 2.82Å; K139-D239 HydrophobicContact CB-CB 4.37Å; K139-D239 WeakPolarHBondContact CB-O 3.27Å; K139-D239 PolarHBondContact N-O 2.94Å; K139-I240 WeakPolarHBondContact CE-O 3.11Å; K139-I240 PolarHBondContact NZ-O 2.81Å; K139-D241 WeakPolarHBondContact CE-OD1 3.34Å; K139-D241 VanDerWaalsContact CE-OD2 3.23Å; K139-D241 WeakPolarHBondContact CE-OD2 3.5Å; K139-D241 IonicContact NZ-OD1 2.65Å; K139-D241 PolarHBondContact NZ-OD1 3.13Å
140P98.3Very high98.6Very high97 Ų9735.4 Ų35.463%0.6319%0.188SC*.THydrogen-bonded Turntrans-54.3141.5164.4-23.234.2000110.2A142P140-A142 PolarHBondContact O-N 3.33Å
141N97.6Very high98.6Very high157 Ų15738.3 Ų38.384%0.8420%0.199SC*.THydrogen-bonded Turntrans56.530.8180-48-43.5000114.8
142A98.2Very high98.5Very high10 Ų1039.9 Ų39.98%0.08322%0.218CC..  trans-55142.1175.700000112.7V138 K139 P140 F163 D239V138-A142 HydrophobicContact CG1-CB 3.46Å; V138-A142 VanDerWaalsContact CG1-CB 3.46Å; K139-A142 WeakPolarHBondContact O-CB 3.46Å; K139-A142 PolarHBondContact O-N 2.81Å; P140-A142 PolarHBondContact O-N 3.33Å; A142-F163 HydrophobicContact CB-CD1 4.33Å; A142-F163 HydrophobicContact CB-CD2 4.08Å; A142-F163 HydrophobicContact CB-CE1 4.27Å; A142-F163 HydrophobicContact CB-CE2 4.03Å; A142-F163 HydrophobicContact CB-CG 4.25Å; A142-F163 HydrophobicContact CB-CZ 4.13Å; A142-F163 WeakPolarHBondContact O-CB 3.31Å; A142-F163 WeakPolarHBondContact O-CG 3.46Å; A142-D239 HydrophobicContact CB-CB 3.65Å
143N98.5Very high98.4Very high93 Ų9346.6 Ų46.650%0.49725%0.254SS..  trans-107.2-41.4175.7-179.939.9000111.3F163 D239N143-F163 PolarHBondContact O-N 3.34Å; N143-D239 WeakPolarHBondContact CA-OD2 3.23Å; N143-D239 WeakPolarHBondContact CB-OD2 3.21Å; N143-D239 PolarHBondContact N-OD2 2.94Å
144R98.6Very high98.4Very high79 Ų7946 Ų4630%0.29825%0.249SC..BIsolated β-bridgetrans-151.3153.3-179.467.7-176.3-61.9-78.86.9114.6P161 G238 D239R144-P161 CarbonylContact C-O 3.53Å; R144-P161 VanDerWaalsContact CA-O 3.26Å; R144-P161 WeakPolarHBondContact CA-O 3.5Å; R144-G238 CarbonylContact O-C 3.59Å; R144-G238 VanDerWaalsContact O-CA 3.29Å; R144-G238 WeakPolarHBondContact O-CA 3.4Å; R144-D239 PolarHBondContact N-OD2 3.11Å; R144-D239 PolarHBondContact O-N 3.48Å
145I98.8Very high98.4Very high1 Ų146.6 Ų46.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-118.8149.4159.5-63.3163.9000107.2V138 N160 P161 F163 F192 I240V138-I145 HydrophobicContact CG2-CD1 4.19Å; I145-N160 VanDerWaalsContact O-CA 3.3Å; I145-N160 WeakPolarHBondContact O-CA 3.33Å; I145-N160 PolarHBondContact O-ND2 2.65Å; I145-P161 HydrophobicContact CB-CB 4.26Å; I145-P161 HydrophobicContact CB-CG 4.13Å; I145-P161 PolarHBondContact N-O 2.97Å; I145-P161 WeakPolarHBondContact O-CD 3.28Å; I145-F163 HydrophobicContact CD1-CE2 3.93Å; I145-F163 HydrophobicContact CD1-CZ 4.08Å; I145-F163 HydrophobicContact CG1-CE2 4.08Å; I145-F192 HydrophobicContact CD1-CD1 4Å; I145-F192 HydrophobicContact CD1-CE1 4.35Å; I145-F192 HydrophobicContact CD1-CG 4.29Å; I145-I240 HydrophobicContact CD1-CG2 3.86Å; I145-I240 HydrophobicContact CG1-CG2 3.65Å
146A98.9Very high98.4Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-143138.1164.400000113.5F159 N160 S237A146-F159 VanDerWaalsContact CA-O 3.31Å; A146-F159 WeakPolarHBondContact CA-O 3.45Å; A146-N160 HydrophobicContact CB-CB 4.38Å; A146-S237 PolarHBondContact N-O 2.76Å; A146-S237 PolarHBondContact O-N 2.75Å
147L98.9Very high98.5Very high1 Ų143.5 Ų43.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-111.1124.9167-55.4-176.3000108.3I134 H158 F159 I200 L234 G235 I236I134-L147 HydrophobicContact CD1-CD1 3.54Å; I134-L147 HydrophobicContact CD1-CD2 3.55Å; I134-L147 HydrophobicContact CD1-CG 4.2Å; L147-H158 CarbonylContact O-C 3.48Å; L147-H158 WeakPolarHBondContact O-CA 3.39Å; L147-F159 HydrophobicContact CB-CB 4.27Å; L147-F159 HydrophobicContact CB-CD1 4.46Å; L147-F159 HydrophobicContact CD1-CD1 3.95Å; L147-F159 HydrophobicContact CG-CD1 4.07Å; L147-F159 PolarHBondContact N-O 2.9Å; L147-F159 PolarHBondContact O-N 2.78Å; L147-I200 HydrophobicContact CD1-CD1 3.98Å; L147-I200 HydrophobicContact CD1-CG2 3.92Å; L147-L234 HydrophobicContact CB-CD1 4.07Å; L147-G235 CarbonylContact C-O 3.59Å; L147-G235 WeakPolarHBondContact CA-O 3.19Å; L147-I236 HydrophobicContact CD2-CB 4.24Å; L147-I236 HydrophobicContact CD2-CG1 3.99Å; L147-I236 HydrophobicContact CD2-CG2 3.83Å
148D98.9Very high98.5Very high26 Ų2641.8 Ų41.814%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-12393.7-174.6-72.8-67.3000110.1Q150 V155 H158 G235D148-Q150 HydrophobicContact CB-CG 4.44Å; D148-Q150 PolarHBondContact O-N 3.32Å; D148-V155 HydrophobicContact CB-CG1 4.19Å; D148-V155 WeakPolarHBondContact OD1-CG1 3.29Å; D148-H158 IonicContact OD1-CE1 2.75Å; D148-H158 IonicContact OD1-CG 3.25Å; D148-H158 IonicContact OD1-ND1 3.54Å; D148-H158 PolarHBondContact OD1-ND1 3.1Å; D148-H158 IonicContact OD2-ND1 3.87Å; D148-G235 PolarHBondContact N-O 3.18Å; D148-G235 PolarHBondContact O-N 3.02Å
149F98.9Very high98.5Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-74.5106.3171.3-72.8-92.1000109L122 V126 I132 V155 A156 F157 V202 F209 I231 L234L122-F149 HydrophobicContact CD1-CD1 4.26Å; L122-F149 HydrophobicContact CD1-CE1 4.37Å; V126-F149 HydrophobicContact CG1-CD1 4.39Å; I132-F149 HydrophobicContact CD1-CE1 4.15Å; I132-F149 HydrophobicContact CD1-CZ 4.46Å; I132-F149 HydrophobicContact CG1-CE1 4.32Å; F149-V155 CarbonylContact O-C 3.52Å; F149-V155 WeakPolarHBondContact O-CA 3.47Å; F149-A156 PolarHBondContact O-N 3.45Å; F149-F157 HydrophobicContact CB-CB 4.16Å; F149-F157 HydrophobicContact CD2-CB 4.13Å; F149-F157 AromaticContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CE1 4.42Å; F149-F157 HydrophobicContact CD2-CG 4.19Å; F149-F157 AromaticContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CE1 4.22Å; F149-F157 HydrophobicContact CG-CB 4.45Å; F149-F157 HydrophobicContact CG-CD1 4.48Å; F149-F157 PolarHBondContact N-O 3.37Å; F149-V202 HydrophobicContact CE2-CG1 4.28Å; F149-V202 HydrophobicContact CE2-CG2 4.34Å; F149-V202 HydrophobicContact CZ-CB 4.12Å; F149-V202 HydrophobicContact CZ-CG1 3.92Å; F149-V202 HydrophobicContact CZ-CG2 4.17Å; F149-F209 HydrophobicContact CD1-CE1 4.22Å; F149-F209 HydrophobicContact CE1-CE1 4.32Å; F149-F209 HydrophobicContact CG-CE1 4.49Å; F149-I231 HydrophobicContact CB-CG2 3.8Å; F149-I231 HydrophobicContact CD1-CG2 4.39Å; F149-L234 HydrophobicContact CD1-CD1 4.26Å; F149-L234 HydrophobicContact CD2-CD1 3.88Å; F149-L234 HydrophobicContact CE1-CD1 4.21Å; F149-L234 HydrophobicContact CE1-CD2 4.15Å; F149-L234 HydrophobicContact CE2-CD1 3.82Å; F149-L234 HydrophobicContact CG-CD1 4.11Å; F149-L234 HydrophobicContact CZ-CD1 3.99Å; F149-L234 HydrophobicContact CZ-CD2 4Å
150Q98.8Very high98.5Very high42 Ų4238.7 Ų38.720%0.19621%0.212CC..EExtended strand (participates in β ladder)trans-102.3138.8-169.1-68.8161.950.600112.9D148 D154 V155 I231 S232 K233D148-Q150 HydrophobicContact CB-CG 4.44Å; D148-Q150 PolarHBondContact O-N 3.32Å; Q150-D154 CarbonylContact C-O 3.59Å; Q150-D154 VanDerWaalsContact CA-O 3.27Å; Q150-D154 WeakPolarHBondContact CA-O 3.33Å; Q150-V155 HydrophobicContact CG-CG2 4.4Å; Q150-I231 CarbonylContact O-C 3.6Å; Q150-I231 WeakPolarHBondContact O-CA 3.24Å; Q150-S232 PolarHBondContact O-N 2.88Å; Q150-S232 VanDerWaalsContact O-N 3.13Å; Q150-K233 HydrophobicContact CB-CB 4.21Å; Q150-K233 PolarHBondContact N-O 2.97Å
151R98.4Very high98.5Very high69 Ų6934 Ų3426%0.2618%0.182SC..EExtended strand (participates in β ladder)trans-118.795.9168.7171.5-179.3172.2-95.6-5.4108N153 D154 V225 E230 I231R151-N153 PolarHBondContact O-N 3.35Å; R151-D154 HydrophobicContact CB-CB 4.32Å; R151-D154 PolarHBondContact N-O 3.05Å; R151-D154 IonicContact NH1-OD2 2.95Å; R151-D154 PolarHBondContact NH1-OD2 3.49Å; R151-D154 WeakPolarHBondContact O-CB 3.23Å; R151-D154 PolarHBondContact O-N 2.85Å; R151-V225 VanDerWaalsContact CD-CG1 3.42Å; R151-E230 WeakPolarHBondContact CA-O 3.35Å; R151-E230 HydrophobicContact CG-CB 3.86Å; R151-E230 IonicContact CZ-OE2 3.19Å; R151-E230 IonicContact NE-OE2 2.88Å; R151-E230 PolarHBondContact NE-OE2 2.93Å; R151-E230 IonicContact NH2-OE2 2.74Å; R151-E230 PolarHBondContact NH2-OE2 2.86Å; R151-I231 HydrophobicContact CB-CG1 4.32Å
152G96.7Very high98.6Very high44 Ų4429.3 Ų29.345%0.45415%0.152SC..THydrogen-bonded Turntrans61-109.2-170.200000111.5K233G152-K233 PolarHBondContact O-NZ 2.93Å
153N97.5Very high98.6Very high141 Ų14129.9 Ų29.975%0.75415%0.153SC*.THydrogen-bonded Turntrans-98.7-13.2176.3-66.7-21000113.7R151 K176R151-N153 PolarHBondContact O-N 3.35Å; N153-K176 WeakPolarHBondContact O-CE 3.4Å; N153-K176 PolarHBondContact O-NZ 3.49Å
154D98.6Very high98.6Very high16 Ų1629.5 Ų29.59%0.08615%0.151CC..EExtended strand (participates in β ladder)trans-76.4151.5174.8-63.8-28000110.3Q150 R151 K176 L177 D178Q150-D154 CarbonylContact C-O 3.59Å; Q150-D154 VanDerWaalsContact CA-O 3.27Å; Q150-D154 WeakPolarHBondContact CA-O 3.33Å; R151-D154 HydrophobicContact CB-CB 4.32Å; R151-D154 PolarHBondContact N-O 3.05Å; R151-D154 IonicContact NH1-OD2 2.95Å; R151-D154 PolarHBondContact NH1-OD2 3.49Å; R151-D154 WeakPolarHBondContact O-CB 3.23Å; R151-D154 PolarHBondContact O-N 2.85Å; D154-K176 CarbonylContact C-O 3.56Å; D154-K176 VanDerWaalsContact CA-O 3.29Å; D154-K176 WeakPolarHBondContact CA-O 3.35Å; D154-K176 WeakPolarHBondContact CB-O 3.39Å; D154-L177 HydrophobicContact CB-CD2 4.12Å; D154-L177 WeakPolarHBondContact OD1-CA 3.31Å; D154-D178 PolarHBondContact OD1-N 3.41Å; D154-D178 VanDerWaalsContact OD1-N 3.08Å
155V98.9Very high98.5Very high13 Ų1328.2 Ų28.28%0.07915%0.148CC..EExtended strand (participates in β ladder)trans-109.3102.7165.8-177.90000107.2D148 F149 Q150 H158 T175 K176 W181D148-V155 HydrophobicContact CB-CG1 4.19Å; D148-V155 WeakPolarHBondContact OD1-CG1 3.29Å; F149-V155 CarbonylContact O-C 3.52Å; F149-V155 WeakPolarHBondContact O-CA 3.47Å; Q150-V155 HydrophobicContact CG-CG2 4.4Å; V155-H158 HydrophobicContact CG1-CB 3.89Å; V155-T175 CarbonylContact O-C 3.44Å; V155-T175 VanDerWaalsContact O-CA 3.23Å; V155-T175 WeakPolarHBondContact O-CA 3.3Å; V155-T175 VanDerWaalsContact O-CG2 3.25Å; V155-T175 WeakPolarHBondContact O-CG2 3.36Å; V155-K176 HydrophobicContact CB-CB 3.97Å; V155-K176 HydrophobicContact CG2-CB 4.27Å; V155-K176 PolarHBondContact N-O 3.03Å; V155-K176 PolarHBondContact O-N 3.2Å; V155-W181 HydrophobicContact CB-CH2 4.46Å
156A98.9Very high98.4Very high2 Ų235 Ų352%0.01718%0.184CC..EExtended strand (participates in β ladder)trans-62.9-43.4-179.300000111.9F149 T175 V225 I231F149-A156 PolarHBondContact O-N 3.45Å; A156-T175 PolarHBondContact O-OG1 2.94Å; A156-V225 HydrophobicContact CB-CB 3.75Å; A156-V225 HydrophobicContact CB-CG1 4.15Å; A156-V225 HydrophobicContact CB-CG2 3.78Å; A156-I231 HydrophobicContact CB-CD1 3.48Å; A156-I231 VanDerWaalsContact CB-CD1 3.48Å; A156-I231 HydrophobicContact CB-CG1 3.84Å; A156-I231 HydrophobicContact CB-CG2 4.24Å
157F98.9Very high98.3Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-140.6116.3174.3173.6-143.3000109.9F149 F159 C173 V202 F209 V211 L219 Y221F149-F157 HydrophobicContact CB-CB 4.16Å; F149-F157 HydrophobicContact CD2-CB 4.13Å; F149-F157 AromaticContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CE1 4.42Å; F149-F157 HydrophobicContact CD2-CG 4.19Å; F149-F157 AromaticContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CE1 4.22Å; F149-F157 HydrophobicContact CG-CB 4.45Å; F149-F157 HydrophobicContact CG-CD1 4.48Å; F149-F157 PolarHBondContact N-O 3.37Å; F157-F159 HydrophobicContact CE1-CB 4.27Å; F157-F159 HydrophobicContact CE2-CB 4Å; F157-F159 HydrophobicContact CZ-CB 3.74Å; F157-F159 HydrophobicContact CZ-CD2 4.26Å; F157-F159 HydrophobicContact CZ-CG 4.43Å; F157-C173 HydrophobicContact CE2-CB 4.06Å; F157-V202 HydrophobicContact CE1-CG1 4.45Å; F157-F209 HydrophobicContact CB-CD2 3.8Å; F157-F209 HydrophobicContact CB-CE2 3.63Å; F157-F209 HydrophobicContact CB-CZ 4.27Å; F157-F209 HydrophobicContact CD1-CB 3.85Å; F157-F209 HydrophobicContact CD1-CD1 4.12Å; F157-F209 AromaticContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CE2 4.19Å; F157-F209 AromaticContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CE1-CB 3.76Å; F157-F209 HydrophobicContact CE1-CD2 4.4Å; F157-F209 HydrophobicContact CE1-CG 4.05Å; F157-F209 AromaticContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CE2 4.21Å; F157-F209 HydrophobicContact CG-CG 4.3Å; F157-V211 HydrophobicContact CE1-CG2 3.98Å; F157-V211 HydrophobicContact CZ-CG2 3.89Å; F157-L219 HydrophobicContact CZ-CD1 4.4Å; F157-Y221 HydrophobicContact CB-CD1 4.07Å; F157-Y221 HydrophobicContact CB-CE1 4.2Å; F157-Y221 AromaticContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD2 4.25Å; F157-Y221 AromaticContact CD2-CE1 3.63Å; F157-Y221 HydrophobicContact CD2-CE1 3.63Å; F157-Y221 AromaticContact CD2-CG 3.52Å; F157-Y221 HydrophobicContact CD2-CG 3.52Å; F157-Y221 AromaticContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD2 4.1Å; F157-Y221 HydrophobicContact CE2-CE1 4.41Å; F157-Y221 AromaticContact CE2-CG 3.48Å; F157-Y221 HydrophobicContact CE2-CG 3.48Å; F157-Y221 VanDerWaalsContact CE2-CG 3.48Å; F157-Y221 AromaticContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CE1 4.25Å; F157-Y221 HydrophobicContact CG-CG 4.4Å; F157-Y221 HydrophobicContact CZ-CG 4.33Å
158H98.9Very high98.3Very high14 Ų1451.1 Ų51.17%0.06526%0.256CS..EExtended strand (participates in β ladder)trans-99.1126.7167.8-176.267.7000108L147 D148 V155 N160 C173 N174 W181L147-H158 CarbonylContact O-C 3.48Å; L147-H158 WeakPolarHBondContact O-CA 3.39Å; D148-H158 IonicContact OD1-CE1 2.75Å; D148-H158 IonicContact OD1-CG 3.25Å; D148-H158 IonicContact OD1-ND1 3.54Å; D148-H158 PolarHBondContact OD1-ND1 3.1Å; D148-H158 IonicContact OD2-ND1 3.87Å; V155-H158 HydrophobicContact CG1-CB 3.89Å; H158-N160 WeakPolarHBondContact NE2-CB 3.24Å; H158-C173 WeakPolarHBondContact O-CA 3.47Å; H158-N174 WeakPolarHBondContact CB-O 3.2Å; H158-N174 PolarHBondContact N-O 2.84Å; H158-N174 PolarHBondContact O-N 3.04Å; H158-N174 VanDerWaalsContact O-N 3.11Å; H158-W181 HydrophobicContact CB-CH2 3.71Å; H158-W181 HydrophobicContact CB-CZ3 3.55Å; H158-W181 AromaticContact CD2-CH2 3.76Å; H158-W181 AromaticContact CD2-CZ3 3.97Å; H158-W181 AromaticContact CG-CH2 3.53Å; H158-W181 AromaticContact CG-CZ3 3.8Å; H158-W181 AromaticContact ND1-CH2 3.76Å
159F98.9Very high98.2Very high1 Ų154.4 Ų54.40%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-121.1112.8170.8168.4-89.5000108.2A146 L147 F157 P161 I171 F192 I200 V211 L218 L219A146-F159 VanDerWaalsContact CA-O 3.31Å; A146-F159 WeakPolarHBondContact CA-O 3.45Å; L147-F159 HydrophobicContact CB-CB 4.27Å; L147-F159 HydrophobicContact CB-CD1 4.46Å; L147-F159 HydrophobicContact CD1-CD1 3.95Å; L147-F159 HydrophobicContact CG-CD1 4.07Å; L147-F159 PolarHBondContact N-O 2.9Å; L147-F159 PolarHBondContact O-N 2.78Å; F157-F159 HydrophobicContact CE1-CB 4.27Å; F157-F159 HydrophobicContact CE2-CB 4Å; F157-F159 HydrophobicContact CZ-CB 3.74Å; F157-F159 HydrophobicContact CZ-CD2 4.26Å; F157-F159 HydrophobicContact CZ-CG 4.43Å; F159-P161 HydrophobicContact CD1-CG 4.14Å; F159-P161 HydrophobicContact CE1-CG 3.49Å; F159-P161 VanDerWaalsContact CE1-CG 3.49Å; F159-P161 HydrophobicContact CZ-CG 3.93Å; F159-I171 HydrophobicContact CD2-CG2 3.75Å; F159-I171 HydrophobicContact CE2-CD1 4.23Å; F159-I171 HydrophobicContact CE2-CG2 3.47Å; F159-I171 VanDerWaalsContact CE2-CG2 3.47Å; F159-I171 HydrophobicContact CG-CG2 4.49Å; F159-I171 HydrophobicContact CZ-CD1 4.07Å; F159-I171 HydrophobicContact CZ-CG2 4.01Å; F159-F192 HydrophobicContact CE1-CE2 4.19Å; F159-F192 AromaticContact CE1-CZ 3.96Å; F159-F192 HydrophobicContact CE1-CZ 3.96Å; F159-F192 AromaticContact CZ-CE2 3.96Å; F159-F192 HydrophobicContact CZ-CE2 3.96Å; F159-F192 AromaticContact CZ-CZ 3.98Å; F159-F192 HydrophobicContact CZ-CZ 3.98Å; F159-I200 HydrophobicContact CE1-CD1 4.16Å; F159-V211 HydrophobicContact CD2-CG1 4.49Å; F159-V211 HydrophobicContact CE2-CG1 3.96Å; F159-V211 HydrophobicContact CZ-CG1 4.24Å; F159-L218 HydrophobicContact CE2-CD2 3.92Å; F159-L218 HydrophobicContact CZ-CD2 3.91Å; F159-L219 HydrophobicContact CD2-CD2 4.24Å; F159-L219 HydrophobicContact CE2-CD2 3.99Å
160N98.9Very high98.2Very high6 Ų655.1 Ų55.13%0.03227%0.271CS..EExtended strand (participates in β ladder)trans-131.490.9-170.1168.7-134.2000112.7I145 A146 H158 R162 V172I145-N160 VanDerWaalsContact O-CA 3.3Å; I145-N160 WeakPolarHBondContact O-CA 3.33Å; I145-N160 PolarHBondContact O-ND2 2.65Å; A146-N160 HydrophobicContact CB-CB 4.38Å; H158-N160 WeakPolarHBondContact NE2-CB 3.24Å; N160-R162 PolarHBondContact O-N 2.7Å; N160-R162 WeakPolarHBondContact OD1-CG 3.49Å; N160-R162 PolarHBondContact OD1-NE 3.15Å; N160-R162 PolarHBondContact OD1-NH2 3.25Å; N160-V172 PolarHBondContact N-O 3.01Å; N160-V172 PolarHBondContact O-N 3.09Å
161P98.8Very high98.2Very high0 Ų053.1 Ų53.10%026%0.261CS..EExtended strand (participates in β ladder)trans-58.5121.5160.4-2334000111R144 I145 F159 I171 F190 F192R144-P161 CarbonylContact C-O 3.53Å; R144-P161 VanDerWaalsContact CA-O 3.26Å; R144-P161 WeakPolarHBondContact CA-O 3.5Å; I145-P161 HydrophobicContact CB-CB 4.26Å; I145-P161 HydrophobicContact CB-CG 4.13Å; I145-P161 PolarHBondContact N-O 2.97Å; I145-P161 WeakPolarHBondContact O-CD 3.28Å; F159-P161 HydrophobicContact CD1-CG 4.14Å; F159-P161 HydrophobicContact CE1-CG 3.49Å; F159-P161 VanDerWaalsContact CE1-CG 3.49Å; F159-P161 HydrophobicContact CZ-CG 3.93Å; P161-I171 HydrophobicContact CB-CG1 4.26Å; P161-I171 HydrophobicContact CG-CD1 4.44Å; P161-I171 HydrophobicContact CG-CG1 4.26Å; P161-F190 HydrophobicContact CB-CE2 3.68Å; P161-F190 HydrophobicContact CB-CZ 3.86Å; P161-F192 HydrophobicContact CB-CD2 3.94Å; P161-F192 HydrophobicContact CB-CE2 4.03Å; P161-F192 HydrophobicContact CG-CD2 3.87Å; P161-F192 HydrophobicContact CG-CE2 3.43Å; P161-F192 VanDerWaalsContact CG-CE2 3.43Å; P161-F192 HydrophobicContact CG-CZ 4.02Å
162R98.8Very high98.3Very high58 Ų5849.8 Ų49.822%0.21925%0.249CC..EExtended strand (participates in β ladder)trans-109.8119.4171.5-56.9179.6-175.2167.76.5107.7N160 E165 R169 V170 V172 E184 F190N160-R162 PolarHBondContact O-N 2.7Å; N160-R162 WeakPolarHBondContact OD1-CG 3.49Å; N160-R162 PolarHBondContact OD1-NE 3.15Å; N160-R162 PolarHBondContact OD1-NH2 3.25Å; R162-E165 IonicContact CZ-OE2 2.8Å; R162-E165 IonicContact NH1-OE2 2.74Å; R162-E165 PolarHBondContact NH1-OE2 2.8Å; R162-R169 WeakPolarHBondContact O-CA 3.24Å; R162-V170 HydrophobicContact CB-CG1 4.04Å; R162-V170 PolarHBondContact N-O 3.29Å; R162-V170 PolarHBondContact O-N 2.83Å; R162-V172 VanDerWaalsContact CZ-CG2 3.46Å; R162-E184 IonicContact CZ-OE1 3.89Å; R162-E184 IonicContact NH1-OE1 3.71Å; R162-E184 IonicContact NH2-OE1 3.27Å; R162-E184 PolarHBondContact NH2-OE1 2.69Å; R162-F190 WeakPolarHBondContact O-CE2 3.44Å
163F98.5Very high98.4Very high22 Ų2247.9 Ų47.910%0.09623%0.229CC..EExtended strand (participates in β ladder)trans-81.7-22.8-177.9-73.8-104.1000112.5V138 A142 N143 I145 F190 F192V138-F163 HydrophobicContact CG1-CE1 3.9Å; V138-F163 HydrophobicContact CG1-CE2 4.27Å; V138-F163 HydrophobicContact CG1-CZ 3.49Å; V138-F163 VanDerWaalsContact CG1-CZ 3.49Å; V138-F163 HydrophobicContact CG2-CZ 4.38Å; A142-F163 HydrophobicContact CB-CD1 4.33Å; A142-F163 HydrophobicContact CB-CD2 4.08Å; A142-F163 HydrophobicContact CB-CE1 4.27Å; A142-F163 HydrophobicContact CB-CE2 4.03Å; A142-F163 HydrophobicContact CB-CG 4.25Å; A142-F163 HydrophobicContact CB-CZ 4.13Å; A142-F163 WeakPolarHBondContact O-CB 3.31Å; A142-F163 WeakPolarHBondContact O-CG 3.46Å; N143-F163 PolarHBondContact O-N 3.34Å; I145-F163 HydrophobicContact CD1-CE2 3.93Å; I145-F163 HydrophobicContact CD1-CZ 4.08Å; I145-F163 HydrophobicContact CG1-CE2 4.08Å; F163-F190 AromaticContact CD1-CE1 3.82Å; F163-F190 HydrophobicContact CD1-CE1 3.82Å; F163-F190 AromaticContact CD1-CZ 3.95Å; F163-F190 HydrophobicContact CD1-CZ 3.95Å; F163-F190 AromaticContact CD2-CZ 3.86Å; F163-F190 HydrophobicContact CD2-CZ 3.86Å; F163-F190 AromaticContact CE1-CE1 3.67Å; F163-F190 HydrophobicContact CE1-CE1 3.67Å; F163-F190 AromaticContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE2-CE1 4.37Å; F163-F190 AromaticContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CG-CE1 4.24Å; F163-F190 AromaticContact CG-CZ 3.88Å; F163-F190 HydrophobicContact CG-CZ 3.88Å; F163-F190 AromaticContact CZ-CE1 3.95Å; F163-F190 HydrophobicContact CZ-CE1 3.95Å; F163-F190 AromaticContact CZ-CZ 3.94Å; F163-F190 HydrophobicContact CZ-CZ 3.94Å; F163-F192 HydrophobicContact CE1-CB 4.11Å; F163-F192 HydrophobicContact CZ-CB 3.7Å
164N97.6Very high98.4Very high85 Ų8541.4 Ų41.446%0.45519%0.194SC..EExtended strand (participates in β ladder)trans-143.899.4170.7-169-14.5000111.1N167N164-N167 VanDerWaalsContact OD1-CA 3.24Å; N164-N167 WeakPolarHBondContact OD1-CA 3.26Å; N164-N167 PolarHBondContact OD1-N 3.39Å
165E97.4Very high98.4Very high51 Ų5140.9 Ų40.924%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-115.6104.7161.4-167.6-170.276.900107.3R162 N167 R168 V170 R186R162-E165 IonicContact CZ-OE2 2.8Å; R162-E165 IonicContact NH1-OE2 2.74Å; R162-E165 PolarHBondContact NH1-OE2 2.8Å; E165-N167 PolarHBondContact O-N 2.86Å; E165-R168 PolarHBondContact N-O 3.29Å; E165-R168 WeakPolarHBondContact O-CB 3.1Å; E165-R168 PolarHBondContact O-N 3.42Å; E165-V170 HydrophobicContact CB-CG1 4Å; E165-R186 IonicContact OE1-CZ 3.53Å; E165-R186 IonicContact OE1-NH1 3.91Å; E165-R186 PolarHBondContact OE1-NH1 3.04Å; E165-R186 IonicContact OE1-NH2 2.7Å; E165-R186 IonicContact OE2-CZ 3.52Å; E165-R186 IonicContact OE2-NH1 2.76Å; E165-R186 PolarHBondContact OE2-NH1 3.43Å; E165-R186 IonicContact OE2-NH2 3.67Å; E165-R186 PolarHBondContact OE2-NH2 3.45Å
166N97.2Very high98.4Very high143 Ų14342 Ų4277%0.76520%0.195SC*.THydrogen-bonded Turntrans53.147.5-175.8-56.6-51.4000113.8R168N166-R168 PolarHBondContact O-N 2.81Å
167N96.5Very high98.4Very high147 Ų14745.5 Ų45.579%0.78621%0.213SC*.THydrogen-bonded Turntrans60.223.2-175.2-57.8-41.9000114.6N164 E165N164-N167 VanDerWaalsContact OD1-CA 3.24Å; N164-N167 WeakPolarHBondContact OD1-CA 3.26Å; N164-N167 PolarHBondContact OD1-N 3.39Å; E165-N167 PolarHBondContact O-N 2.86Å
168R97.6Very high98.4Very high194 Ų19451.9 Ų51.973%0.73225%0.247SC*.EExtended strand (participates in β ladder)trans-121.8148.7173.4-61-179.5-179.1178-0.2110.7E165 N166E165-R168 PolarHBondContact N-O 3.29Å; E165-R168 WeakPolarHBondContact O-CB 3.1Å; E165-R168 PolarHBondContact O-N 3.42Å; N166-R168 PolarHBondContact O-N 2.81Å
169R98.5Very high98.3Very high94 Ų9457 Ų5736%0.35528%0.275SS..EExtended strand (participates in β ladder)trans-90.3135.4168.2-49.3-161.7-62.3-165.34108.7R162 F190 F192 E193R162-R169 WeakPolarHBondContact O-CA 3.24Å; R169-F190 HydrophobicContact CB-CB 4.04Å; R169-F190 HydrophobicContact CB-CD1 3.91Å; R169-F190 HydrophobicContact CB-CD2 3.65Å; R169-F190 HydrophobicContact CB-CE1 4.21Å; R169-F190 HydrophobicContact CB-CE2 3.98Å; R169-F190 HydrophobicContact CB-CG 3.59Å; R169-F190 HydrophobicContact CB-CZ 4.25Å; R169-F190 HydrophobicContact CG-CD1 4.37Å; R169-F190 HydrophobicContact CG-CE1 4.48Å; R169-F190 VanDerWaalsContact NE-CD1 3.35Å; R169-F190 PolarHBondContact NH2-O 2.94Å; R169-F192 PolarHBondContact NH1-O 2.78Å; R169-E193 IonicContact CZ-OE1 3.73Å; R169-E193 VanDerWaalsContact CZ-OE1 3.27Å; R169-E193 IonicContact CZ-OE2 2.72Å; R169-E193 IonicContact NH1-OE1 3.1Å; R169-E193 PolarHBondContact NH1-OE1 2.7Å; R169-E193 IonicContact NH1-OE2 3.37Å; R169-E193 PolarHBondContact NH1-OE2 2.92Å; R169-E193 IonicContact NH2-OE1 2.75Å; R169-E193 PolarHBondContact NH2-OE1 3.27Å
170V98.7Very high98.3Very high15 Ų1562.4 Ų62.49%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-150.7144.1-179.763.80000109.8R162 E165 V172 R186R162-V170 HydrophobicContact CB-CG1 4.04Å; R162-V170 PolarHBondContact N-O 3.29Å; R162-V170 PolarHBondContact O-N 2.83Å; E165-V170 HydrophobicContact CB-CG1 4Å; V170-V172 HydrophobicContact CG1-CG2 4.15Å; V170-V172 HydrophobicContact CG2-CG2 4.29Å; V170-R186 HydrophobicContact CG2-CB 4.32Å
171I98.9Very high98.3Very high0 Ų068.1 Ų68.10%033%0.325CS..EExtended strand (participates in β ladder)trans-101.3123.5168-57.6-177.8000107.2F159 P161 R186 Q187 V189 F190 F192 L218 L219F159-I171 HydrophobicContact CD2-CG2 3.75Å; F159-I171 HydrophobicContact CE2-CD1 4.23Å; F159-I171 HydrophobicContact CE2-CG2 3.47Å; F159-I171 VanDerWaalsContact CE2-CG2 3.47Å; F159-I171 HydrophobicContact CG-CG2 4.49Å; F159-I171 HydrophobicContact CZ-CD1 4.07Å; F159-I171 HydrophobicContact CZ-CG2 4.01Å; P161-I171 HydrophobicContact CB-CG1 4.26Å; P161-I171 HydrophobicContact CG-CD1 4.44Å; P161-I171 HydrophobicContact CG-CG1 4.26Å; I171-R186 WeakPolarHBondContact O-CA 3.43Å; I171-Q187 HydrophobicContact CB-CB 4.29Å; I171-Q187 PolarHBondContact N-O 2.88Å; I171-Q187 PolarHBondContact O-N 3.13Å; I171-V189 WeakPolarHBondContact CD1-O 3.4Å; I171-F190 HydrophobicContact CD1-CD2 4.39Å; I171-F190 HydrophobicContact CG1-CD2 3.71Å; I171-F190 HydrophobicContact CG1-CE2 4.1Å; I171-F192 HydrophobicContact CD1-CD2 4.46Å; I171-F192 HydrophobicContact CD1-CE2 3.98Å; I171-L218 HydrophobicContact CD1-CD1 4.25Å; I171-L218 HydrophobicContact CD1-CD2 3.65Å; I171-L218 HydrophobicContact CD1-CG 4.39Å; I171-L219 HydrophobicContact CG2-CD2 4.1Å
172V98.8Very high98.2Very high0 Ų069.9 Ų69.90%034%0.344CS..EExtended strand (participates in β ladder)trans-107.5125.9176.5-176.30000109.4N160 R162 V170 E184 R186N160-V172 PolarHBondContact N-O 3.01Å; N160-V172 PolarHBondContact O-N 3.09Å; R162-V172 VanDerWaalsContact CZ-CG2 3.46Å; V170-V172 HydrophobicContact CG1-CG2 4.15Å; V170-V172 HydrophobicContact CG2-CG2 4.29Å; V172-E184 HydrophobicContact CG1-CB 3.99Å; V172-E184 HydrophobicContact CG1-CG 3.71Å; V172-E184 WeakPolarHBondContact CG1-OE1 3.49Å; V172-R186 HydrophobicContact CG2-CG 4.27Å
173C98.9Very high98.2Very high4 Ų476.3 Ų76.33%0.02737%0.368CS..EExtended strand (participates in β ladder)trans-112.5135.8175-68.20000110.4F157 H158 E185 Y221F157-C173 HydrophobicContact CE2-CB 4.06Å; H158-C173 WeakPolarHBondContact O-CA 3.47Å; C173-E185 HydrophobicContact CB-CB 4.21Å; C173-E185 PolarHBondContact N-O 2.79Å; C173-E185 PolarHBondContact O-N 2.94Å; C173-Y221 HydrophobicContact CB-CD2 3.63Å; C173-Y221 HydrophobicContact CB-CE2 3.88Å; C173-Y221 HydrophobicContact CB-CG 4.44Å
174N98.8Very high98.2Very high4 Ų478.9 Ų78.92%0.02138%0.38CS..EExtended strand (participates in β ladder)trans-159.8176.9179.3-150.7-13.5000112.3H158 W181 G182 R183 Y221 R224H158-N174 WeakPolarHBondContact CB-O 3.2Å; H158-N174 PolarHBondContact N-O 2.84Å; H158-N174 PolarHBondContact O-N 3.04Å; H158-N174 VanDerWaalsContact O-N 3.11Å; N174-W181 HydrophobicContact CB-CE3 3.82Å; N174-W181 HydrophobicContact CB-CZ3 4.06Å; N174-G182 PolarHBondContact ND2-O 2.89Å; N174-G182 WeakPolarHBondContact OD1-CA 3.45Å; N174-G182 PolarHBondContact OD1-N 2.81Å; N174-G182 PolarHBondContact OD1-O 3.48Å; N174-R183 PolarHBondContact OD1-O 2.97Å; N174-R183 VanDerWaalsContact OD1-O 3.07Å; N174-Y221 WeakPolarHBondContact CA-OH 3.46Å; N174-Y221 PolarHBondContact O-OH 2.85Å; N174-R224 PolarHBondContact OD1-NH1 3.49Å
175T98.9Very high98.3Very high5 Ų577.4 Ų77.43%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-126.6138.2172.3-61.90000107.6V155 A156 L177 G182 Y221 R224 V225V155-T175 CarbonylContact O-C 3.44Å; V155-T175 VanDerWaalsContact O-CA 3.23Å; V155-T175 WeakPolarHBondContact O-CA 3.3Å; V155-T175 VanDerWaalsContact O-CG2 3.25Å; V155-T175 WeakPolarHBondContact O-CG2 3.36Å; A156-T175 PolarHBondContact O-OG1 2.94Å; T175-L177 HydrophobicContact CG2-CD2 3.8Å; T175-L177 HydrophobicContact CG2-CG 3.9Å; T175-G182 PolarHBondContact O-N 2.83Å; T175-Y221 PolarHBondContact N-OH 2.92Å; T175-Y221 VanDerWaalsContact N-OH 3.13Å; T175-Y221 PolarHBondContact OG1-OH 3.4Å; T175-R224 HydrophobicContact CG2-CB 4.23Å; T175-R224 WeakPolarHBondContact OG1-CD 3.48Å; T175-V225 HydrophobicContact CG2-CG2 4.13Å
176K98.8Very high98.4Very high37 Ų3780.7 Ų80.716%0.16138%0.381CS..EExtended strand (participates in β ladder)trans-108.2118.9170.8-163.5-165.568.7157.70109N153 D154 V155 N179 N180 W181N153-K176 WeakPolarHBondContact O-CE 3.4Å; N153-K176 PolarHBondContact O-NZ 3.49Å; D154-K176 CarbonylContact C-O 3.56Å; D154-K176 VanDerWaalsContact CA-O 3.29Å; D154-K176 WeakPolarHBondContact CA-O 3.35Å; D154-K176 WeakPolarHBondContact CB-O 3.39Å; V155-K176 HydrophobicContact CB-CB 3.97Å; V155-K176 HydrophobicContact CG2-CB 4.27Å; V155-K176 PolarHBondContact N-O 3.03Å; V155-K176 PolarHBondContact O-N 3.2Å; K176-N179 PolarHBondContact NZ-OD1 3.2Å; K176-N180 CarbonylContact C-O 3.56Å; K176-N180 VanDerWaalsContact CA-O 3.28Å; K176-N180 WeakPolarHBondContact CA-O 3.41Å; K176-W181 HydrophobicContact CB-CD2 3.96Å; K176-W181 HydrophobicContact CB-CE3 3.71Å; K176-W181 HydrophobicContact CB-CH2 4.04Å; K176-W181 HydrophobicContact CB-CZ2 4.26Å; K176-W181 HydrophobicContact CB-CZ3 3.75Å; K176-W181 HydrophobicContact CD-CZ2 4.34Å; K176-W181 HydrophobicContact CG-CD2 4.08Å; K176-W181 HydrophobicContact CG-CE3 4.35Å; K176-W181 HydrophobicContact CG-CG 4.43Å
177L98.5Very high98.4Very high76 Ų7676.3 Ų76.340%0.39836%0.356SS..EExtended strand (participates in β ladder)trans-118.6130.7174.3-59.5-179.3000109.1D154 T175 N179 N180 V225D154-L177 HydrophobicContact CB-CD2 4.12Å; D154-L177 WeakPolarHBondContact OD1-CA 3.31Å; T175-L177 HydrophobicContact CG2-CD2 3.8Å; T175-L177 HydrophobicContact CG2-CG 3.9Å; L177-N179 PolarHBondContact O-N 2.96Å; L177-N179 VanDerWaalsContact O-N 3.13Å; L177-N180 PolarHBondContact N-O 2.89Å; L177-N180 WeakPolarHBondContact O-CB 3.43Å; L177-N180 PolarHBondContact O-N 2.86Å; L177-V225 HydrophobicContact CD2-CG2 3.75Å
178D97.6Very high98.4Very high134 Ų13473.9 Ų73.972%0.71735%0.351SS*.THydrogen-bonded Turntrans49.543.1178.4-62.7-51.9000113D154 N180D154-D178 PolarHBondContact OD1-N 3.41Å; D154-D178 VanDerWaalsContact OD1-N 3.08Å; D178-N180 PolarHBondContact O-N 3.19Å; D178-N180 PolarHBondContact O-ND2 2.89Å
179N97.3Very high98.5Very high120 Ų12068.5 Ų68.564%0.64234%0.339SS*.THydrogen-bonded Turntrans65.20.2-172.9-67.3-49.1000117.9K176 L177K176-N179 PolarHBondContact NZ-OD1 3.2Å; L177-N179 PolarHBondContact O-N 2.96Å; L177-N179 VanDerWaalsContact O-N 3.13Å
180N98.5Very high98.5Very high116 Ų11664.8 Ų64.862%0.6233%0.325SS*.EExtended strand (participates in β ladder)trans-93.7128.1175.8-62.3-76.1000111.1K176 L177 D178K176-N180 CarbonylContact C-O 3.56Å; K176-N180 VanDerWaalsContact CA-O 3.28Å; K176-N180 WeakPolarHBondContact CA-O 3.41Å; L177-N180 PolarHBondContact N-O 2.89Å; L177-N180 WeakPolarHBondContact O-CB 3.43Å; L177-N180 PolarHBondContact O-N 2.86Å; D178-N180 PolarHBondContact O-N 3.19Å; D178-N180 PolarHBondContact O-ND2 2.89Å
181W98.7Very high98.5Very high125 Ų12566.2 Ų66.247%0.47334%0.335SS..EExtended strand (participates in β ladder)trans-76.4133.3169.5-73.5109.3000110.4V155 H158 N174 K176V155-W181 HydrophobicContact CB-CH2 4.46Å; H158-W181 HydrophobicContact CB-CH2 3.71Å; H158-W181 HydrophobicContact CB-CZ3 3.55Å; H158-W181 AromaticContact CD2-CH2 3.76Å; H158-W181 AromaticContact CD2-CZ3 3.97Å; H158-W181 AromaticContact CG-CH2 3.53Å; H158-W181 AromaticContact CG-CZ3 3.8Å; H158-W181 AromaticContact ND1-CH2 3.76Å; N174-W181 HydrophobicContact CB-CE3 3.82Å; N174-W181 HydrophobicContact CB-CZ3 4.06Å; K176-W181 HydrophobicContact CB-CD2 3.96Å; K176-W181 HydrophobicContact CB-CE3 3.71Å; K176-W181 HydrophobicContact CB-CH2 4.04Å; K176-W181 HydrophobicContact CB-CZ2 4.26Å; K176-W181 HydrophobicContact CB-CZ3 3.75Å; K176-W181 HydrophobicContact CD-CZ2 4.34Å; K176-W181 HydrophobicContact CG-CD2 4.08Å; K176-W181 HydrophobicContact CG-CE3 4.35Å; K176-W181 HydrophobicContact CG-CG 4.43Å
182G98.6Very high98.4Very high38 Ų3866.2 Ų66.239%0.39234%0.335SS..  trans-78.3-161.4175.500000113.4N174 T175 E184N174-G182 PolarHBondContact ND2-O 2.89Å; N174-G182 WeakPolarHBondContact OD1-CA 3.45Å; N174-G182 PolarHBondContact OD1-N 2.81Å; N174-G182 PolarHBondContact OD1-O 3.48Å; T175-G182 PolarHBondContact O-N 2.83Å; G182-E184 PolarHBondContact O-N 2.71Å
183R98.5Very high98.4Very high192 Ų19269.7 Ų69.773%0.72535%0.351SS*.  trans-64.5124173.8-173.9177.772-179.23.4110.6N174 R224N174-R183 PolarHBondContact OD1-O 2.97Å; N174-R183 VanDerWaalsContact OD1-O 3.07Å; R183-R224 VanDerWaalsContact O-CZ 3.26Å; R183-R224 PolarHBondContact O-NH1 2.98Å; R183-R224 PolarHBondContact O-NH2 3.08Å
184E98.7Very high98.4Very high76 Ų7671.9 Ų71.936%0.35537%0.367SS..  trans-65.5139.3172-68.6-174.5145.800111.1R162 V172 G182 R186R162-E184 IonicContact CZ-OE1 3.89Å; R162-E184 IonicContact NH1-OE1 3.71Å; R162-E184 IonicContact NH2-OE1 3.27Å; R162-E184 PolarHBondContact NH2-OE1 2.69Å; V172-E184 HydrophobicContact CG1-CB 3.99Å; V172-E184 HydrophobicContact CG1-CG 3.71Å; V172-E184 WeakPolarHBondContact CG1-OE1 3.49Å; G182-E184 PolarHBondContact O-N 2.71Å; E184-R186 HydrophobicContact CB-CG 4.32Å; E184-R186 IonicContact OE1-NH2 3.15Å; E184-R186 IonicContact OE2-CZ 3.54Å; E184-R186 IonicContact OE2-NE 3.7Å; E184-R186 PolarHBondContact OE2-NE 3.49Å; E184-R186 IonicContact OE2-NH2 2.68Å; E184-R186 PolarHBondContact OE2-NH2 3.3Å
185E98.7Very high98.4Very high55 Ų5573.8 Ų73.826%0.25739%0.387SS..EExtended strand (participates in β ladder)trans-107.2130.7162.9-74.7169.5-142.800107.3C173 Y221 R224C173-E185 HydrophobicContact CB-CB 4.21Å; C173-E185 PolarHBondContact N-O 2.79Å; C173-E185 PolarHBondContact O-N 2.94Å; E185-Y221 HydrophobicContact CB-CE2 4.39Å; E185-Y221 HydrophobicContact CG-CE2 4.39Å; E185-Y221 VanDerWaalsContact OE2-CD2 3.28Å; E185-Y221 WeakPolarHBondContact OE2-CD2 3.31Å; E185-R224 IonicContact OE1-CZ 3.59Å; E185-R224 IonicContact OE1-NE 3.69Å; E185-R224 IonicContact OE1-NH2 2.68Å; E185-R224 PolarHBondContact OE1-NH2 2.83Å
186R98.7Very high98.4Very high119 Ų11979.3 Ų79.345%0.44941%0.411SS..EExtended strand (participates in β ladder)trans-126.4127.5-167-72.5173.9159.3-95.9-1.8110.9E165 V170 I171 V172 E184E165-R186 IonicContact OE1-CZ 3.53Å; E165-R186 IonicContact OE1-NH1 3.91Å; E165-R186 PolarHBondContact OE1-NH1 3.04Å; E165-R186 IonicContact OE1-NH2 2.7Å; E165-R186 IonicContact OE2-CZ 3.52Å; E165-R186 IonicContact OE2-NH1 2.76Å; E165-R186 PolarHBondContact OE2-NH1 3.43Å; E165-R186 IonicContact OE2-NH2 3.67Å; E165-R186 PolarHBondContact OE2-NH2 3.45Å; V170-R186 HydrophobicContact CG2-CB 4.32Å; I171-R186 WeakPolarHBondContact O-CA 3.43Å; V172-R186 HydrophobicContact CG2-CG 4.27Å; E184-R186 HydrophobicContact CB-CG 4.32Å; E184-R186 IonicContact OE1-NH2 3.15Å; E184-R186 IonicContact OE2-CZ 3.54Å; E184-R186 IonicContact OE2-NE 3.7Å; E184-R186 PolarHBondContact OE2-NE 3.49Å; E184-R186 IonicContact OE2-NH2 2.68Å; E184-R186 PolarHBondContact OE2-NH2 3.3Å
187Q97.4Very high98.4Very high51 Ų5182.2 Ų82.224%0.23843%0.433CS..EExtended strand (participates in β ladder)trans-119.7129.3179.6169.360.5-66.400109.5I171 V189 L218 L219I171-Q187 HydrophobicContact CB-CB 4.29Å; I171-Q187 PolarHBondContact N-O 2.88Å; I171-Q187 PolarHBondContact O-N 3.13Å; Q187-V189 HydrophobicContact CG-CB 4.11Å; Q187-L218 HydrophobicContact CG-CD1 4.22Å; Q187-L218 PolarHBondContact NE2-O 3.13Å; Q187-L219 HydrophobicContact CB-CD2 4.08Å; Q187-L219 HydrophobicContact CG-CD2 4.26Å
188S97.8Very high98.4Very high97 Ų9779 Ų7968%0.67842%0.416SS*.  trans-91.6-19.4178.455.80000113.4F190S188-F190 PolarHBondContact O-N 2.84Å
189V98.3Very high98.4Very high80 Ų8074.9 Ų74.949%0.48539%0.392SS..  trans-62.6118.6168.9-179.20000108.5I171 Q187 L218I171-V189 WeakPolarHBondContact CD1-O 3.4Å; Q187-V189 HydrophobicContact CG-CB 4.11Å; V189-L218 HydrophobicContact CB-CD1 3.95Å; V189-L218 HydrophobicContact CG1-CD1 3.69Å
190F98.6Very high98.5Very high17 Ų1769.2 Ų69.28%0.07536%0.361CS..  trans-132.992.6-171-162.6-82.6000110.5P161 R162 F163 R169 I171 S188 F192P161-F190 HydrophobicContact CB-CE2 3.68Å; P161-F190 HydrophobicContact CB-CZ 3.86Å; R162-F190 WeakPolarHBondContact O-CE2 3.44Å; F163-F190 AromaticContact CD1-CE1 3.82Å; F163-F190 HydrophobicContact CD1-CE1 3.82Å; F163-F190 AromaticContact CD1-CZ 3.95Å; F163-F190 HydrophobicContact CD1-CZ 3.95Å; F163-F190 AromaticContact CD2-CZ 3.86Å; F163-F190 HydrophobicContact CD2-CZ 3.86Å; F163-F190 AromaticContact CE1-CE1 3.67Å; F163-F190 HydrophobicContact CE1-CE1 3.67Å; F163-F190 AromaticContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE2-CE1 4.37Å; F163-F190 AromaticContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CG-CE1 4.24Å; F163-F190 AromaticContact CG-CZ 3.88Å; F163-F190 HydrophobicContact CG-CZ 3.88Å; F163-F190 AromaticContact CZ-CE1 3.95Å; F163-F190 HydrophobicContact CZ-CE1 3.95Å; F163-F190 AromaticContact CZ-CZ 3.94Å; F163-F190 HydrophobicContact CZ-CZ 3.94Å; R169-F190 HydrophobicContact CB-CB 4.04Å; R169-F190 HydrophobicContact CB-CD1 3.91Å; R169-F190 HydrophobicContact CB-CD2 3.65Å; R169-F190 HydrophobicContact CB-CE1 4.21Å; R169-F190 HydrophobicContact CB-CE2 3.98Å; R169-F190 HydrophobicContact CB-CG 3.59Å; R169-F190 HydrophobicContact CB-CZ 4.25Å; R169-F190 HydrophobicContact CG-CD1 4.37Å; R169-F190 HydrophobicContact CG-CE1 4.48Å; R169-F190 VanDerWaalsContact NE-CD1 3.35Å; R169-F190 PolarHBondContact NH2-O 2.94Å; I171-F190 HydrophobicContact CD1-CD2 4.39Å; I171-F190 HydrophobicContact CG1-CD2 3.71Å; I171-F190 HydrophobicContact CG1-CE2 4.1Å; S188-F190 PolarHBondContact O-N 2.84Å; F190-F192 VanDerWaalsContact C-N 3.32Å; F190-F192 HydrophobicContact CD1-CB 4.21Å; F190-F192 WeakPolarHBondContact CD1-O 3.1Å; F190-F192 HydrophobicContact CE1-CB 3.71Å; F190-F192 HydrophobicContact CE1-CD2 4.31Å; F190-F192 VanDerWaalsContact CE1-O 3.29Å; F190-F192 WeakPolarHBondContact CE1-O 3.41Å; F190-F192 HydrophobicContact CZ-CB 4.33Å; F190-F192 HydrophobicContact CZ-CD2 4.39Å; F190-F192 PolarHBondContact O-N 2.78Å
191P98.5Very high98.5Very high44 Ų4464.1 Ų64.129%0.28633%0.334SS..  trans-86.35.7-173.833.3-34.9000114.6V213 L218P191-V213 HydrophobicContact CB-CB 4.33Å; P191-V213 HydrophobicContact CB-CG1 4.16Å; P191-V213 HydrophobicContact CG-CB 3.64Å; P191-V213 HydrophobicContact CG-CG1 3.72Å; P191-V213 HydrophobicContact CG-CG2 4.1Å; P191-L218 HydrophobicContact CG-CD1 4.17Å; P191-L218 HydrophobicContact CG-CD2 4.15Å
192F98.7Very high98.5Very high1 Ų158.2 Ų58.20%0.00431%0.311CS..  trans-94.8139.7179.1-53.6-83.9000111.4V138 I145 F159 P161 F163 R169 I171 F190 F198 I200 V213V138-F192 HydrophobicContact CG2-CB 4.38Å; V138-F192 HydrophobicContact CG2-CD1 4.5Å; I145-F192 HydrophobicContact CD1-CD1 4Å; I145-F192 HydrophobicContact CD1-CE1 4.35Å; I145-F192 HydrophobicContact CD1-CG 4.29Å; F159-F192 HydrophobicContact CE1-CE2 4.19Å; F159-F192 AromaticContact CE1-CZ 3.96Å; F159-F192 HydrophobicContact CE1-CZ 3.96Å; F159-F192 AromaticContact CZ-CE2 3.96Å; F159-F192 HydrophobicContact CZ-CE2 3.96Å; F159-F192 AromaticContact CZ-CZ 3.98Å; F159-F192 HydrophobicContact CZ-CZ 3.98Å; P161-F192 HydrophobicContact CB-CD2 3.94Å; P161-F192 HydrophobicContact CB-CE2 4.03Å; P161-F192 HydrophobicContact CG-CD2 3.87Å; P161-F192 HydrophobicContact CG-CE2 3.43Å; P161-F192 VanDerWaalsContact CG-CE2 3.43Å; P161-F192 HydrophobicContact CG-CZ 4.02Å; F163-F192 HydrophobicContact CE1-CB 4.11Å; F163-F192 HydrophobicContact CZ-CB 3.7Å; R169-F192 PolarHBondContact NH1-O 2.78Å; I171-F192 HydrophobicContact CD1-CD2 4.46Å; I171-F192 HydrophobicContact CD1-CE2 3.98Å; F190-F192 VanDerWaalsContact C-N 3.32Å; F190-F192 HydrophobicContact CD1-CB 4.21Å; F190-F192 WeakPolarHBondContact CD1-O 3.1Å; F190-F192 HydrophobicContact CE1-CB 3.71Å; F190-F192 HydrophobicContact CE1-CD2 4.31Å; F190-F192 VanDerWaalsContact CE1-O 3.29Å; F190-F192 WeakPolarHBondContact CE1-O 3.41Å; F190-F192 HydrophobicContact CZ-CB 4.33Å; F190-F192 HydrophobicContact CZ-CD2 4.39Å; F190-F192 PolarHBondContact O-N 2.78Å; F192-F198 HydrophobicContact CD1-CB 4.13Å; F192-F198 HydrophobicContact CD1-CG 4.28Å; F192-F198 HydrophobicContact CE1-CB 4.28Å; F192-F198 HydrophobicContact CE1-CD2 4.26Å; F192-F198 HydrophobicContact CE1-CG 4.26Å; F192-I200 HydrophobicContact CE1-CD1 3.75Å; F192-I200 HydrophobicContact CE1-CG1 3.71Å; F192-I200 HydrophobicContact CZ-CD1 3.79Å; F192-I200 HydrophobicContact CZ-CG1 3.82Å; F192-V213 HydrophobicContact CD1-CG1 4.34Å; F192-V213 HydrophobicContact CE1-CG1 3.75Å; F192-V213 HydrophobicContact CE1-CG2 4.37Å; F192-V213 HydrophobicContact CE2-CG2 4.32Å; F192-V213 HydrophobicContact CZ-CB 4.46Å; F192-V213 HydrophobicContact CZ-CG1 3.88Å; F192-V213 HydrophobicContact CZ-CG2 3.72Å
193E98.6Very high98.5Very high72 Ų7257.4 Ų57.434%0.33630%0.298SS..  trans-131.5134.5176.9-65.5-58.6155.900109.9V138 R169 G195 K196V138-E193 WeakPolarHBondContact CB-O 3.39Å; R169-E193 IonicContact CZ-OE1 3.73Å; R169-E193 VanDerWaalsContact CZ-OE1 3.27Å; R169-E193 IonicContact CZ-OE2 2.72Å; R169-E193 IonicContact NH1-OE1 3.1Å; R169-E193 PolarHBondContact NH1-OE1 2.7Å; R169-E193 IonicContact NH1-OE2 3.37Å; R169-E193 PolarHBondContact NH1-OE2 2.92Å; R169-E193 IonicContact NH2-OE1 2.75Å; R169-E193 PolarHBondContact NH2-OE1 3.27Å; E193-G195 PolarHBondContact O-N 2.83Å; E193-K196 HydrophobicContact CB-CB 4.14Å; E193-K196 HydrophobicContact CB-CD 3.68Å; E193-K196 HydrophobicContact CB-CG 3.81Å; E193-K196 HydrophobicContact CG-CD 4.17Å; E193-K196 PolarHBondContact O-N 2.84Å; E193-K196 VanDerWaalsContact O-N 3.12Å
194S98.4Very high98.6Very high51 Ų5148.3 Ų48.336%0.35726%0.264SS..THydrogen-bonded Turntrans-58.6134.1178.2-62.40000111.3K196S194-K196 VanDerWaalsContact C-N 3.3Å; S194-K196 PolarHBondContact O-N 3.34Å
195G98.4Very high98.5Very high43 Ų4347 Ų4744%0.44326%0.258SS..THydrogen-bonded Turntrans78.8-0.3-176.800000115.6V138 K139 E193V138-G195 WeakPolarHBondContact O-CA 3.44Å; V138-G195 PolarHBondContact O-N 2.93Å; K139-G195 PolarHBondContact O-N 2.82Å; E193-G195 PolarHBondContact O-N 2.83Å
196K98.6Very high98.5Very high122 Ų12248.7 Ų48.753%0.5327%0.274SS..  trans-103.1149.3-179.7-61-160.5-167.1170.80113V138 E193 S194V138-K196 PolarHBondContact N-O 2.86Å; E193-K196 HydrophobicContact CB-CB 4.14Å; E193-K196 HydrophobicContact CB-CD 3.68Å; E193-K196 HydrophobicContact CB-CG 3.81Å; E193-K196 HydrophobicContact CG-CD 4.17Å; E193-K196 PolarHBondContact O-N 2.84Å; E193-K196 VanDerWaalsContact O-N 3.12Å; S194-K196 VanDerWaalsContact C-N 3.3Å; S194-K196 PolarHBondContact O-N 3.34Å
197P98.6Very high98.5Very high97 Ų9748.3 Ų48.363%0.6328%0.28SS*.EExtended strand (participates in β ladder)trans-64.5154168.229.9-35.7000111.1G136G136-P197 CarbonylContact O-C 3.51Å; G136-P197 VanDerWaalsContact O-CA 3.31Å; G136-P197 WeakPolarHBondContact O-CA 3.49Å
198F98.8Very high98.6Very high10 Ų1046.7 Ų46.74%0.04427%0.273CS..EExtended strand (participates in β ladder)trans-142.1155.1174.468.3-94.5000111.3I134 G136 V138 F192 I200 N214 I240I134-F198 HydrophobicContact CG2-CE2 4.16Å; G136-F198 VanDerWaalsContact C-CE1 3.47Å; G136-F198 PolarHBondContact N-O 2.9Å; G136-F198 VanDerWaalsContact O-CD1 3.3Å; G136-F198 WeakPolarHBondContact O-CD1 3.13Å; G136-F198 PolarHBondContact O-N 2.91Å; V138-F198 HydrophobicContact CG2-CD1 3.62Å; V138-F198 HydrophobicContact CG2-CE1 4.13Å; F192-F198 HydrophobicContact CD1-CB 4.13Å; F192-F198 HydrophobicContact CD1-CG 4.28Å; F192-F198 HydrophobicContact CE1-CB 4.28Å; F192-F198 HydrophobicContact CE1-CD2 4.26Å; F192-F198 HydrophobicContact CE1-CG 4.26Å; F198-I200 HydrophobicContact CD2-CD1 4.1Å; F198-I200 HydrophobicContact CD2-CG1 3.8Å; F198-I200 HydrophobicContact CE2-CD1 3.88Å; F198-I200 HydrophobicContact CE2-CG1 4.03Å; F198-N214 WeakPolarHBondContact CA-OD1 3.42Å; F198-I240 HydrophobicContact CE1-CB 4.06Å; F198-I240 HydrophobicContact CE1-CG2 3.63Å; F198-I240 HydrophobicContact CZ-CB 4.26Å; F198-I240 HydrophobicContact CZ-CD1 3.98Å; F198-I240 HydrophobicContact CZ-CG2 3.9Å
199K98.7Very high98.6Very high47 Ų4742.2 Ų42.220%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-122.7117164.2174.6168.862.4176.50108.5T133 I134 L135 Q201 V213 N214 D215T133-K199 HydrophobicContact CG2-CD 4.4Å; T133-K199 HydrophobicContact CG2-CG 4.32Å; I134-K199 CarbonylContact O-C 3.56Å; I134-K199 WeakPolarHBondContact O-CA 3.23Å; L135-K199 HydrophobicContact CD2-CB 3.56Å; L135-K199 HydrophobicContact CD2-CD 3.81Å; L135-K199 HydrophobicContact CD2-CG 3.53Å; K199-Q201 HydrophobicContact CD-CG 4.31Å; K199-Q201 VanDerWaalsContact CD-OE1 3.29Å; K199-Q201 HydrophobicContact CG-CG 4.02Å; K199-V213 CarbonylContact O-C 3.39Å; K199-V213 VanDerWaalsContact O-CA 3.24Å; K199-V213 WeakPolarHBondContact O-CA 3.31Å; K199-N214 PolarHBondContact N-OD1 2.82Å; K199-N214 PolarHBondContact O-N 2.77Å; K199-D215 VanDerWaalsContact CE-CG 3.48Å; K199-D215 VanDerWaalsContact CE-OD1 3.26Å; K199-D215 WeakPolarHBondContact CE-OD1 3.33Å; K199-D215 WeakPolarHBondContact CE-OD2 3.14Å; K199-D215 IonicContact NZ-OD1 2.81Å; K199-D215 PolarHBondContact NZ-OD1 3.25Å; K199-D215 IonicContact NZ-OD2 2.65Å; K199-D215 PolarHBondContact NZ-OD2 3.38Å
200I98.9Very high98.7Very high1 Ų139.9 Ų39.91%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-99.6132.9167.1-57.7166.9000107.7I134 L147 F159 F192 F198 V202 V211 V213I134-I200 HydrophobicContact CB-CB 4.35Å; I134-I200 PolarHBondContact N-O 2.88Å; I134-I200 PolarHBondContact O-N 2.89Å; L147-I200 HydrophobicContact CD1-CD1 3.98Å; L147-I200 HydrophobicContact CD1-CG2 3.92Å; F159-I200 HydrophobicContact CE1-CD1 4.16Å; F192-I200 HydrophobicContact CE1-CD1 3.75Å; F192-I200 HydrophobicContact CE1-CG1 3.71Å; F192-I200 HydrophobicContact CZ-CD1 3.79Å; F192-I200 HydrophobicContact CZ-CG1 3.82Å; F198-I200 HydrophobicContact CD2-CD1 4.1Å; F198-I200 HydrophobicContact CD2-CG1 3.8Å; F198-I200 HydrophobicContact CE2-CD1 3.88Å; F198-I200 HydrophobicContact CE2-CG1 4.03Å; I200-V202 HydrophobicContact CG2-CG2 4.15Å; I200-V211 HydrophobicContact CG2-CG1 4.18Å; I200-V213 HydrophobicContact CG1-CG2 4.2Å
201Q98.8Very high98.7Very high8 Ų839.1 Ų39.14%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-125.2131.3172.2-75.4169.4-83.500109.8L131 I132 T133 K199 V211 A212L131-Q201 HydrophobicContact CD1-CB 4.17Å; I132-Q201 CarbonylContact O-C 3.53Å; I132-Q201 VanDerWaalsContact O-CA 3.31Å; I132-Q201 WeakPolarHBondContact O-CA 3.38Å; T133-Q201 HydrophobicContact CG2-CG 3.97Å; K199-Q201 HydrophobicContact CD-CG 4.31Å; K199-Q201 VanDerWaalsContact CD-OE1 3.29Å; K199-Q201 HydrophobicContact CG-CG 4.02Å; Q201-V211 WeakPolarHBondContact O-CA 3.49Å; Q201-A212 PolarHBondContact N-O 2.86Å; Q201-A212 PolarHBondContact O-N 2.9Å
202V98.9Very high98.7Very high1 Ų137.5 Ų37.51%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-121.6107.6177.8-172.20000107.7I132 F149 F157 I200 F209 K210 V211I132-V202 HydrophobicContact CB-CB 4.39Å; I132-V202 WeakPolarHBondContact CD1-O 3.37Å; I132-V202 PolarHBondContact N-O 2.74Å; I132-V202 PolarHBondContact O-N 3.44Å; F149-V202 HydrophobicContact CE2-CG1 4.28Å; F149-V202 HydrophobicContact CE2-CG2 4.34Å; F149-V202 HydrophobicContact CZ-CB 4.12Å; F149-V202 HydrophobicContact CZ-CG1 3.92Å; F149-V202 HydrophobicContact CZ-CG2 4.17Å; F157-V202 HydrophobicContact CE1-CG1 4.45Å; I200-V202 HydrophobicContact CG2-CG2 4.15Å; V202-F209 HydrophobicContact CG1-CB 3.99Å; V202-F209 HydrophobicContact CG1-CD1 3.78Å; V202-F209 HydrophobicContact CG1-CG 4.32Å; V202-K210 WeakPolarHBondContact CA-O 3.26Å; V202-V211 HydrophobicContact CG1-CG2 4.47Å; V202-V211 HydrophobicContact CG2-CG2 4.33Å
203L98.8Very high98.7Very high22 Ų2237.6 Ų37.612%0.11521%0.212CC..EExtended strand (participates in β ladder)trans-89130.8169.5178.660.6000108.9L131 E205 K210 I250L131-L203 HydrophobicContact CB-CD1 4.37Å; L131-L203 HydrophobicContact CD1-CB 4.2Å; L203-E205 HydrophobicContact CD2-CG 4.14Å; L203-E205 HydrophobicContact CG-CG 4.11Å; L203-K210 HydrophobicContact CB-CB 4.37Å; L203-K210 PolarHBondContact N-O 2.96Å; L203-K210 PolarHBondContact O-N 2.93Å; L203-I250 HydrophobicContact CD1-CD1 3.62Å; L203-I250 HydrophobicContact CD1-CG1 3.94Å; L203-I250 HydrophobicContact CD2-CD1 4.13Å
204V98.8Very high98.7Very high0 Ų037.5 Ų37.50%021%0.214CC..EExtended strand (participates in β ladder)trans-86.8116.4172.5-175.50000107.8V126 V127 P128 R129 M130 I132 F209 L228V126-V204 HydrophobicContact CB-CG1 4.35Å; V126-V204 HydrophobicContact CB-CG2 4.03Å; V126-V204 HydrophobicContact CG1-CG2 4.47Å; V126-V204 HydrophobicContact CG2-CG1 4.18Å; V126-V204 HydrophobicContact CG2-CG2 4.44Å; V127-V204 WeakPolarHBondContact O-CB 3.41Å; V127-V204 WeakPolarHBondContact O-CG1 3.31Å; P128-V204 CarbonylContact C-O 3.53Å; P128-V204 VanDerWaalsContact CA-O 3.31Å; P128-V204 WeakPolarHBondContact CA-O 3.37Å; R129-V204 PolarHBondContact N-O 2.8Å; M130-V204 HydrophobicContact CB-CB 4.27Å; M130-V204 HydrophobicContact CB-CG2 4.09Å; M130-V204 WeakPolarHBondContact O-CG2 3.49Å; M130-V204 PolarHBondContact O-N 3.36Å; I132-V204 HydrophobicContact CD1-CG2 3.88Å; V204-F209 HydrophobicContact CG2-CD1 4.04Å; V204-F209 HydrophobicContact CG2-CE1 3.97Å; V204-L228 HydrophobicContact CG1-CD1 4.45Å
205E98.6Very high98.6Very high49 Ų4938.8 Ų38.823%0.22922%0.217CC..  trans-107167.7171.8-64.6-164.4-17300109.7L203 D207 H208 K210 H223L203-E205 HydrophobicContact CD2-CG 4.14Å; L203-E205 HydrophobicContact CG-CG 4.11Å; E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.46Å; E205-H208 WeakPolarHBondContact CA-O 3.29Å; E205-H208 PolarHBondContact N-O 2.86Å; E205-H208 IonicContact OE2-CE1 3.44Å; E205-H208 PolarHBondContact OE2-CE1 3.2Å; E205-H208 IonicContact OE2-NE2 2.98Å; E205-H208 PolarHBondContact OE2-NE2 2.81Å; E205-K210 WeakPolarHBondContact OE1-CD 3.46Å; E205-K210 WeakPolarHBondContact OE1-CE 3.32Å; E205-K210 IonicContact OE1-NZ 2.71Å; E205-K210 PolarHBondContact OE1-NZ 2.88Å; E205-H223 PolarHBondContact O-NE2 2.65Å
206P98.4Very high98.6Very high91 Ų9139.5 Ų39.559%0.59122%0.219SC*.SBendtrans-57.1-35.8-175.9-28.537.3000114.8P128 H223P128-P206 HydrophobicContact CB-CG 4.25Å; P128-P206 HydrophobicContact CG-CG 4.39Å; P206-H223 PolarHBondContact O-CD2 3.35Å
207D98.5Very high98.6Very high111 Ų11139 Ų3959%0.59422%0.218SC*.SBendtrans-105.9-21.2-174.2-64.3-56.4000114.3E205 N222 H223E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.46Å; D207-N222 WeakPolarHBondContact O-CA 3.44Å; D207-H223 PolarHBondContact O-CD2 2.89Å; D207-H223 PolarHBondContact O-N 3.38Å
208H98.8Very high98.6Very high17 Ų1734.9 Ų34.98%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-153.3163.9-171.166.1-88.2000113.9E205 Q220 Y221 H223E205-H208 WeakPolarHBondContact CA-O 3.29Å; E205-H208 PolarHBondContact N-O 2.86Å; E205-H208 IonicContact OE2-CE1 3.44Å; E205-H208 PolarHBondContact OE2-CE1 3.2Å; E205-H208 IonicContact OE2-NE2 2.98Å; E205-H208 PolarHBondContact OE2-NE2 2.81Å; H208-Q220 HydrophobicContact CB-CB 4.5Å; H208-Q220 VanDerWaalsContact CD2-CG 3.49Å; H208-Q220 WeakPolarHBondContact CD2-CG 3.24Å; H208-Q220 VanDerWaalsContact NE2-CD 3.26Å; H208-Q220 PolarHBondContact NE2-NE2 2.89Å; H208-Y221 CarbonylContact C-O 3.5Å; H208-Y221 VanDerWaalsContact CA-O 3.24Å; H208-Y221 WeakPolarHBondContact CA-O 3.21Å; H208-Y221 WeakPolarHBondContact CB-O 3.47Å; H208-H223 PolarHBondContact N-CD2 2.88Å; H208-H223 VanDerWaalsContact N-CD2 3.31Å; H208-H223 PolarHBondContact N-NE2 2.9Å; H208-H223 PolarHBondContact O-CE1 2.71Å; H208-H223 PolarHBondContact O-NE2 3.4Å
209F98.9Very high98.6Very high2 Ų235.4 Ų35.41%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-86.9124160.3-64.5-85.3000109.2V126 F149 F157 V202 V204 Q220 Y221 H223 I231V126-F209 HydrophobicContact CG2-CE1 4.18Å; V126-F209 HydrophobicContact CG2-CZ 4.21Å; F149-F209 HydrophobicContact CD1-CE1 4.22Å; F149-F209 HydrophobicContact CE1-CE1 4.32Å; F149-F209 HydrophobicContact CG-CE1 4.49Å; F157-F209 HydrophobicContact CB-CD2 3.8Å; F157-F209 HydrophobicContact CB-CE2 3.63Å; F157-F209 HydrophobicContact CB-CZ 4.27Å; F157-F209 HydrophobicContact CD1-CB 3.85Å; F157-F209 HydrophobicContact CD1-CD1 4.12Å; F157-F209 AromaticContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CE2 4.19Å; F157-F209 AromaticContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CE1-CB 3.76Å; F157-F209 HydrophobicContact CE1-CD2 4.4Å; F157-F209 HydrophobicContact CE1-CG 4.05Å; F157-F209 AromaticContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CE2 4.21Å; F157-F209 HydrophobicContact CG-CG 4.3Å; V202-F209 HydrophobicContact CG1-CB 3.99Å; V202-F209 HydrophobicContact CG1-CD1 3.78Å; V202-F209 HydrophobicContact CG1-CG 4.32Å; V204-F209 HydrophobicContact CG2-CD1 4.04Å; V204-F209 HydrophobicContact CG2-CE1 3.97Å; F209-Q220 CarbonylContact O-C 3.6Å; F209-Q220 WeakPolarHBondContact O-CA 3.41Å; F209-Y221 HydrophobicContact CD2-CD1 4.42Å; F209-Y221 PolarHBondContact N-O 2.85Å; F209-Y221 PolarHBondContact O-N 2.95Å; F209-H223 AromaticContact CD2-CE1 3.47Å; F209-H223 VanDerWaalsContact CD2-CE1 3.47Å; F209-H223 WeakPolarHBondContact CD2-CE1 3.41Å; F209-H223 AromaticContact CD2-ND1 3.39Å; F209-H223 WeakPolarHBondContact CD2-ND1 3.49Å; F209-H223 AromaticContact CE2-CE1 3.45Å; F209-H223 VanDerWaalsContact CE2-CE1 3.45Å; F209-H223 WeakPolarHBondContact CE2-CE1 3.41Å; F209-H223 AromaticContact CE2-ND1 3.19Å; F209-H223 WeakPolarHBondContact CE2-ND1 3.34Å; F209-H223 AromaticContact CG-CE1 3.86Å; F209-H223 AromaticContact CZ-CE1 3.82Å; F209-H223 AromaticContact CZ-ND1 3.9Å; F209-I231 HydrophobicContact CZ-CD1 4.17Å
210K98.8Very high98.6Very high31 Ų3137.7 Ų37.714%0.13521%0.205CC..EExtended strand (participates in β ladder)trans-97.7116.7174.3-171.4170.673.4-1670109.3A10 V202 L203 E205 Q220A10-K210 PolarHBondContact O-NZ 3.39Å; V202-K210 WeakPolarHBondContact CA-O 3.26Å; L203-K210 HydrophobicContact CB-CB 4.37Å; L203-K210 PolarHBondContact N-O 2.96Å; L203-K210 PolarHBondContact O-N 2.93Å; E205-K210 WeakPolarHBondContact OE1-CD 3.46Å; E205-K210 WeakPolarHBondContact OE1-CE 3.32Å; E205-K210 IonicContact OE1-NZ 2.71Å; E205-K210 PolarHBondContact OE1-NZ 2.88Å; K210-Q220 HydrophobicContact CG-CG 4.35Å
211V98.9Very high98.6Very high1 Ų137.7 Ų37.71%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-101.9132-179-174.30000110.3F157 F159 I200 Q201 V202 V213 H217 L218 L219F157-V211 HydrophobicContact CE1-CG2 3.98Å; F157-V211 HydrophobicContact CZ-CG2 3.89Å; F159-V211 HydrophobicContact CD2-CG1 4.49Å; F159-V211 HydrophobicContact CE2-CG1 3.96Å; F159-V211 HydrophobicContact CZ-CG1 4.24Å; I200-V211 HydrophobicContact CG2-CG1 4.18Å; Q201-V211 WeakPolarHBondContact O-CA 3.49Å; V202-V211 HydrophobicContact CG1-CG2 4.47Å; V202-V211 HydrophobicContact CG2-CG2 4.33Å; V211-V213 HydrophobicContact CG1-CG2 4.34Å; V211-H217 PolarHBondContact O-ND1 2.97Å; V211-L218 HydrophobicContact CG1-CD2 4.32Å; V211-L218 PolarHBondContact O-N 2.89Å; V211-L219 HydrophobicContact CB-CD1 3.95Å; V211-L219 HydrophobicContact CB-CG 4.18Å; V211-L219 HydrophobicContact CG2-CD1 3.68Å; V211-L219 HydrophobicContact CG2-CG 4.43Å; V211-L219 PolarHBondContact N-O 2.89Å; V211-L219 PolarHBondContact O-N 3.4Å
212A98.7Very high98.6Very high11 Ų1141.9 Ų41.99%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-122.1148.2166.300000109.6Q201 A216Q201-A212 PolarHBondContact N-O 2.86Å; Q201-A212 PolarHBondContact O-N 2.9Å; A212-A216 CarbonylContact C-O 3.59Å; A212-A216 WeakPolarHBondContact CA-O 3.36Å; A212-A216 WeakPolarHBondContact CB-O 3.17Å
213V98.7Very high98.6Very high2 Ų242.2 Ų42.21%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-133.4128.6174.3-176.90000109P191 F192 K199 I200 V211 D215 A216 L218P191-V213 HydrophobicContact CB-CB 4.33Å; P191-V213 HydrophobicContact CB-CG1 4.16Å; P191-V213 HydrophobicContact CG-CB 3.64Å; P191-V213 HydrophobicContact CG-CG1 3.72Å; P191-V213 HydrophobicContact CG-CG2 4.1Å; F192-V213 HydrophobicContact CD1-CG1 4.34Å; F192-V213 HydrophobicContact CE1-CG1 3.75Å; F192-V213 HydrophobicContact CE1-CG2 4.37Å; F192-V213 HydrophobicContact CE2-CG2 4.32Å; F192-V213 HydrophobicContact CZ-CB 4.46Å; F192-V213 HydrophobicContact CZ-CG1 3.88Å; F192-V213 HydrophobicContact CZ-CG2 3.72Å; K199-V213 CarbonylContact O-C 3.39Å; K199-V213 VanDerWaalsContact O-CA 3.24Å; K199-V213 WeakPolarHBondContact O-CA 3.31Å; I200-V213 HydrophobicContact CG1-CG2 4.2Å; V211-V213 HydrophobicContact CG1-CG2 4.34Å; V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 PolarHBondContact O-N 3.02Å; V213-A216 PolarHBondContact N-O 2.83Å; V213-A216 PolarHBondContact O-N 2.92Å; V213-L218 HydrophobicContact CB-CD2 4.4Å; V213-L218 HydrophobicContact CG2-CD2 3.51Å
214N98.2Very high98.6Very high71 Ų7144.8 Ų44.838%0.3824%0.237SC..THydrogen-bonded Turntrans51.549.2-175.3-55.1-22.5000111.4F198 K199 A216F198-N214 WeakPolarHBondContact CA-OD1 3.42Å; K199-N214 PolarHBondContact N-OD1 2.82Å; K199-N214 PolarHBondContact O-N 2.77Å; N214-A216 PolarHBondContact O-N 2.84Å
215D97.6Very high98.6Very high77 Ų7745.2 Ų45.241%0.41224%0.24SC..THydrogen-bonded Turntrans64.6-9.9-178.3-58.1-71.5000116.5F5 K199 V213F5-D215 WeakPolarHBondContact CD2-OD1 3.44Å; K199-D215 VanDerWaalsContact CE-CG 3.48Å; K199-D215 VanDerWaalsContact CE-OD1 3.26Å; K199-D215 WeakPolarHBondContact CE-OD1 3.33Å; K199-D215 WeakPolarHBondContact CE-OD2 3.14Å; K199-D215 IonicContact NZ-OD1 2.81Å; K199-D215 PolarHBondContact NZ-OD1 3.25Å; K199-D215 IonicContact NZ-OD2 2.65Å; K199-D215 PolarHBondContact NZ-OD2 3.38Å; V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 PolarHBondContact O-N 3.02Å
216A98Very high98.5Very high59 Ų5950.4 Ų50.449%0.48826%0.262SS..EExtended strand (participates in β ladder)trans-86134.7173.100000112A212 V213 N214A212-A216 CarbonylContact C-O 3.59Å; A212-A216 WeakPolarHBondContact CA-O 3.36Å; A212-A216 WeakPolarHBondContact CB-O 3.17Å; V213-A216 PolarHBondContact N-O 2.83Å; V213-A216 PolarHBondContact O-N 2.92Å; N214-A216 PolarHBondContact O-N 2.84Å
217H98.2Very high98.5Very high110 Ų11051.1 Ų51.151%0.50926%0.256SS..EExtended strand (participates in β ladder)trans-62140170.1178.959.2000111.2V211 L219V211-H217 PolarHBondContact O-ND1 2.97Å; H217-L219 VanDerWaalsContact CE1-C 3.45Å; H217-L219 PolarHBondContact CE1-O 2.85Å
218L98.5Very high98.5Very high12 Ų1246.9 Ų46.96%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-122.6-50.1-173175.262.4000113.7F159 I171 Q187 V189 P191 V211 V213F159-L218 HydrophobicContact CE2-CD2 3.92Å; F159-L218 HydrophobicContact CZ-CD2 3.91Å; I171-L218 HydrophobicContact CD1-CD1 4.25Å; I171-L218 HydrophobicContact CD1-CD2 3.65Å; I171-L218 HydrophobicContact CD1-CG 4.39Å; Q187-L218 HydrophobicContact CG-CD1 4.22Å; Q187-L218 PolarHBondContact NE2-O 3.13Å; V189-L218 HydrophobicContact CB-CD1 3.95Å; V189-L218 HydrophobicContact CG1-CD1 3.69Å; P191-L218 HydrophobicContact CG-CD1 4.17Å; P191-L218 HydrophobicContact CG-CD2 4.15Å; V211-L218 HydrophobicContact CG1-CD2 4.32Å; V211-L218 PolarHBondContact O-N 2.89Å; V213-L218 HydrophobicContact CB-CD2 4.4Å; V213-L218 HydrophobicContact CG2-CD2 3.51Å
219L98.7Very high98.5Very high20 Ų2051.2 Ų51.211%0.10526%0.257CS..EExtended strand (participates in β ladder)trans-162.9164.2-179.860.782.1000112.2F157 F159 I171 Q187 V211 H217F157-L219 HydrophobicContact CZ-CD1 4.4Å; F159-L219 HydrophobicContact CD2-CD2 4.24Å; F159-L219 HydrophobicContact CE2-CD2 3.99Å; I171-L219 HydrophobicContact CG2-CD2 4.1Å; Q187-L219 HydrophobicContact CB-CD2 4.08Å; Q187-L219 HydrophobicContact CG-CD2 4.26Å; V211-L219 HydrophobicContact CB-CD1 3.95Å; V211-L219 HydrophobicContact CB-CG 4.18Å; V211-L219 HydrophobicContact CG2-CD1 3.68Å; V211-L219 HydrophobicContact CG2-CG 4.43Å; V211-L219 PolarHBondContact N-O 2.89Å; V211-L219 PolarHBondContact O-N 3.4Å; H217-L219 VanDerWaalsContact CE1-C 3.45Å; H217-L219 PolarHBondContact CE1-O 2.85Å
220Q98.8Very high98.5Very high96 Ų9654.4 Ų54.445%0.44927%0.272SS..EExtended strand (participates in β ladder)trans-115.2147164.7-63.9179.3-5.100108.6H208 F209 K210H208-Q220 HydrophobicContact CB-CB 4.5Å; H208-Q220 VanDerWaalsContact CD2-CG 3.49Å; H208-Q220 WeakPolarHBondContact CD2-CG 3.24Å; H208-Q220 VanDerWaalsContact NE2-CD 3.26Å; H208-Q220 PolarHBondContact NE2-NE2 2.89Å; F209-Q220 CarbonylContact O-C 3.6Å; F209-Q220 WeakPolarHBondContact O-CA 3.41Å; K210-Q220 HydrophobicContact CG-CG 4.35Å
221Y98.9Very high98.5Very high1 Ų152.9 Ų52.90%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-131.6112.7174.4-175.3-100.2000110.7F157 C173 N174 T175 E185 H208 F209 R224F157-Y221 HydrophobicContact CB-CD1 4.07Å; F157-Y221 HydrophobicContact CB-CE1 4.2Å; F157-Y221 AromaticContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD2 4.25Å; F157-Y221 AromaticContact CD2-CE1 3.63Å; F157-Y221 HydrophobicContact CD2-CE1 3.63Å; F157-Y221 AromaticContact CD2-CG 3.52Å; F157-Y221 HydrophobicContact CD2-CG 3.52Å; F157-Y221 AromaticContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD2 4.1Å; F157-Y221 HydrophobicContact CE2-CE1 4.41Å; F157-Y221 AromaticContact CE2-CG 3.48Å; F157-Y221 HydrophobicContact CE2-CG 3.48Å; F157-Y221 VanDerWaalsContact CE2-CG 3.48Å; F157-Y221 AromaticContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CE1 4.25Å; F157-Y221 HydrophobicContact CG-CG 4.4Å; F157-Y221 HydrophobicContact CZ-CG 4.33Å; C173-Y221 HydrophobicContact CB-CD2 3.63Å; C173-Y221 HydrophobicContact CB-CE2 3.88Å; C173-Y221 HydrophobicContact CB-CG 4.44Å; N174-Y221 WeakPolarHBondContact CA-OH 3.46Å; N174-Y221 PolarHBondContact O-OH 2.85Å; T175-Y221 PolarHBondContact N-OH 2.92Å; T175-Y221 VanDerWaalsContact N-OH 3.13Å; T175-Y221 PolarHBondContact OG1-OH 3.4Å; E185-Y221 HydrophobicContact CB-CE2 4.39Å; E185-Y221 HydrophobicContact CG-CE2 4.39Å; E185-Y221 VanDerWaalsContact OE2-CD2 3.28Å; E185-Y221 WeakPolarHBondContact OE2-CD2 3.31Å; H208-Y221 CarbonylContact C-O 3.5Å; H208-Y221 VanDerWaalsContact CA-O 3.24Å; H208-Y221 WeakPolarHBondContact CA-O 3.21Å; H208-Y221 WeakPolarHBondContact CB-O 3.47Å; F209-Y221 HydrophobicContact CD2-CD1 4.42Å; F209-Y221 PolarHBondContact N-O 2.85Å; F209-Y221 PolarHBondContact O-N 2.95Å; Y221-R224 WeakPolarHBondContact OH-CD 3.29Å; Y221-R224 PolarHBondContact OH-NE 2.94Å; Y221-R224 PolarHBondContact OH-NH1 2.88Å
222N98.8Very high98.5Very high95 Ų9555.3 Ų55.351%0.50828%0.282SS..EExtended strand (participates in β ladder)trans-65.5138.8-174.3-72.4-27.4000112.1D207 R224D207-N222 WeakPolarHBondContact O-CA 3.44Å; N222-R224 PolarHBondContact O-N 3.42Å
223H98.7Very high98.5Very high8 Ų857.7 Ų57.74%0.03729%0.29CS..  trans-64.6100.8-178.4-66.8-40.7000111.4E205 P206 D207 H208 F209 K226 L228E205-H223 PolarHBondContact O-NE2 2.65Å; P206-H223 PolarHBondContact O-CD2 3.35Å; D207-H223 PolarHBondContact O-CD2 2.89Å; D207-H223 PolarHBondContact O-N 3.38Å; H208-H223 PolarHBondContact N-CD2 2.88Å; H208-H223 VanDerWaalsContact N-CD2 3.31Å; H208-H223 PolarHBondContact N-NE2 2.9Å; H208-H223 PolarHBondContact O-CE1 2.71Å; H208-H223 PolarHBondContact O-NE2 3.4Å; F209-H223 AromaticContact CD2-CE1 3.47Å; F209-H223 VanDerWaalsContact CD2-CE1 3.47Å; F209-H223 WeakPolarHBondContact CD2-CE1 3.41Å; F209-H223 AromaticContact CD2-ND1 3.39Å; F209-H223 WeakPolarHBondContact CD2-ND1 3.49Å; F209-H223 AromaticContact CE2-CE1 3.45Å; F209-H223 VanDerWaalsContact CE2-CE1 3.45Å; F209-H223 WeakPolarHBondContact CE2-CE1 3.41Å; F209-H223 AromaticContact CE2-ND1 3.19Å; F209-H223 WeakPolarHBondContact CE2-ND1 3.34Å; F209-H223 AromaticContact CG-CE1 3.86Å; F209-H223 AromaticContact CZ-CE1 3.82Å; F209-H223 AromaticContact CZ-ND1 3.9Å; H223-K226 WeakPolarHBondContact O-CD 3.41Å; H223-K226 VanDerWaalsContact O-CE 3.24Å; H223-K226 WeakPolarHBondContact O-CE 3.36Å; H223-K226 PolarHBondContact O-NZ 2.86Å; H223-L228 HydrophobicContact CB-CD2 4.35Å
224R98.6Very high98.5Very high76 Ų7657.6 Ų57.629%0.28729%0.29SS..SBendtrans-77.8-39.8171.4-56.3-166.3-171.4163.41111.4N174 T175 R183 E185 Y221 N222N174-R224 PolarHBondContact OD1-NH1 3.49Å; T175-R224 HydrophobicContact CG2-CB 4.23Å; T175-R224 WeakPolarHBondContact OG1-CD 3.48Å; R183-R224 VanDerWaalsContact O-CZ 3.26Å; R183-R224 PolarHBondContact O-NH1 2.98Å; R183-R224 PolarHBondContact O-NH2 3.08Å; E185-R224 IonicContact OE1-CZ 3.59Å; E185-R224 IonicContact OE1-NE 3.69Å; E185-R224 IonicContact OE1-NH2 2.68Å; E185-R224 PolarHBondContact OE1-NH2 2.83Å; Y221-R224 WeakPolarHBondContact OH-CD 3.29Å; Y221-R224 PolarHBondContact OH-NE 2.94Å; Y221-R224 PolarHBondContact OH-NH1 2.88Å; N222-R224 PolarHBondContact O-N 3.42Å
225V98.5Very high98.5Very high10 Ų1054.7 Ų54.76%0.06128%0.276CS..SBendtrans-84.1118.2167.1171.20000108.7R151 A156 T175 L177 I231R151-V225 VanDerWaalsContact CD-CG1 3.42Å; A156-V225 HydrophobicContact CB-CB 3.75Å; A156-V225 HydrophobicContact CB-CG1 4.15Å; A156-V225 HydrophobicContact CB-CG2 3.78Å; T175-V225 HydrophobicContact CG2-CG2 4.13Å; L177-V225 HydrophobicContact CD2-CG2 3.75Å; V225-I231 HydrophobicContact CG1-CD1 4.27Å; V225-I231 HydrophobicContact CG1-CG1 4.3Å
226K98.3Very high98.6Very high158 Ų15851 Ų5169%0.68726%0.257SS*.  trans-86.5-21.8-175.5-60.2-54.7-169.7-177.50114.7H223 L228H223-K226 WeakPolarHBondContact O-CD 3.41Å; H223-K226 VanDerWaalsContact O-CE 3.24Å; H223-K226 WeakPolarHBondContact O-CE 3.36Å; H223-K226 PolarHBondContact O-NZ 2.86Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 2.81Å; K226-L228 VanDerWaalsContact O-N 3.08Å
227K98.3Very high98.6Very high105 Ų10549.3 Ų49.346%0.45724%0.241SC..  trans-8574.3179.1-65.2-166.1175.9-174.40111.1N229 E230K227-N229 VanDerWaalsContact C-N 3.26Å; K227-N229 PolarHBondContact O-N 3.47Å; K227-E230 HydrophobicContact CB-CB 4.25Å; K227-E230 HydrophobicContact CB-CG 4.12Å; K227-E230 HydrophobicContact CD-CG 4.22Å; K227-E230 WeakPolarHBondContact CD-OE1 3.44Å; K227-E230 VanDerWaalsContact CD-OE2 3.26Å; K227-E230 WeakPolarHBondContact CD-OE2 3.37Å; K227-E230 IonicContact NZ-OE1 2.75Å; K227-E230 PolarHBondContact NZ-OE1 3.48Å; K227-E230 IonicContact NZ-OE2 3.74Å; K227-E230 PolarHBondContact O-N 2.84Å
228L98.6Very high98.6Very high23 Ų2345 Ų4512%0.1223%0.227CC..G310 helixtrans-59.4-36.7-174.9-60.3-174.3000112.9V126 V204 H223 K226 E230 I231V126-L228 HydrophobicContact CG2-CB 3.83Å; V126-L228 HydrophobicContact CG2-CD2 4.22Å; V126-L228 HydrophobicContact CG2-CG 4.48Å; V126-L228 PolarHBondContact N-O 3.47Å; V126-L228 CarbonylContact O-C 3.58Å; V126-L228 VanDerWaalsContact O-CB 3.23Å; V126-L228 WeakPolarHBondContact O-CB 3.47Å; V204-L228 HydrophobicContact CG1-CD1 4.45Å; H223-L228 HydrophobicContact CB-CD2 4.35Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 2.81Å; K226-L228 VanDerWaalsContact O-N 3.08Å; L228-E230 PolarHBondContact O-N 3.44Å; L228-I231 HydrophobicContact CD2-CD1 3.79Å; L228-I231 WeakPolarHBondContact O-CB 3.3Å; L228-I231 PolarHBondContact O-N 2.91Å
229N98.3Very high98.6Very high107 Ų10747 Ų4757%0.57224%0.237SC*.G310 helixtrans-65.1-13.1175.166.9-33.6000114.8G124 G125 K227G124-N229 CarbonylContact C-O 3.22Å; G124-N229 VanDerWaalsContact O-CA 3.29Å; G124-N229 WeakPolarHBondContact O-CA 3.36Å; G125-N229 WeakPolarHBondContact CA-O 3.4Å; K227-N229 VanDerWaalsContact C-N 3.26Å; K227-N229 PolarHBondContact O-N 3.47Å
230E98.6Very high98.6Very high69 Ų6946.1 Ų46.132%0.32223%0.233SC..G310 helixtrans-94.3-3.8172.8-63.3-178.7-175.500112.5R151 K227 L228 S232R151-E230 WeakPolarHBondContact CA-O 3.35Å; R151-E230 HydrophobicContact CG-CB 3.86Å; R151-E230 IonicContact CZ-OE2 3.19Å; R151-E230 IonicContact NE-OE2 2.88Å; R151-E230 PolarHBondContact NE-OE2 2.93Å; R151-E230 IonicContact NH2-OE2 2.74Å; R151-E230 PolarHBondContact NH2-OE2 2.86Å; K227-E230 HydrophobicContact CB-CB 4.25Å; K227-E230 HydrophobicContact CB-CG 4.12Å; K227-E230 HydrophobicContact CD-CG 4.22Å; K227-E230 WeakPolarHBondContact CD-OE1 3.44Å; K227-E230 VanDerWaalsContact CD-OE2 3.26Å; K227-E230 WeakPolarHBondContact CD-OE2 3.37Å; K227-E230 IonicContact NZ-OE1 2.75Å; K227-E230 PolarHBondContact NZ-OE1 3.48Å; K227-E230 IonicContact NZ-OE2 3.74Å; K227-E230 PolarHBondContact O-N 2.84Å; L228-E230 PolarHBondContact O-N 3.44Å; E230-S232 PolarHBondContact O-N 2.85Å; E230-S232 VanDerWaalsContact O-N 3.09Å
231I98.7Very high98.6Very high0 Ų045.2 Ų45.20%023%0.231CC..  trans-8475.1177.6-52.2175.4000109.6G125 V126 F149 Q150 R151 A156 F209 V225 L228G125-I231 VanDerWaalsContact CA-O 3.31Å; G125-I231 WeakPolarHBondContact CA-O 3.1Å; V126-I231 HydrophobicContact CG1-CB 4.47Å; V126-I231 HydrophobicContact CG1-CG2 4.37Å; V126-I231 HydrophobicContact CG2-CB 4.13Å; V126-I231 HydrophobicContact CG2-CD1 3.94Å; F149-I231 HydrophobicContact CB-CG2 3.8Å; F149-I231 HydrophobicContact CD1-CG2 4.39Å; Q150-I231 CarbonylContact O-C 3.6Å; Q150-I231 WeakPolarHBondContact O-CA 3.24Å; R151-I231 HydrophobicContact CB-CG1 4.32Å; A156-I231 HydrophobicContact CB-CD1 3.48Å; A156-I231 VanDerWaalsContact CB-CD1 3.48Å; A156-I231 HydrophobicContact CB-CG1 3.84Å; A156-I231 HydrophobicContact CB-CG2 4.24Å; F209-I231 HydrophobicContact CZ-CD1 4.17Å; V225-I231 HydrophobicContact CG1-CD1 4.27Å; V225-I231 HydrophobicContact CG1-CG1 4.3Å; L228-I231 HydrophobicContact CD2-CD1 3.79Å; L228-I231 WeakPolarHBondContact O-CB 3.3Å; L228-I231 PolarHBondContact O-N 2.91Å
232S98.4Very high98.6Very high51 Ų5145.2 Ų45.236%0.35723%0.231SC..  trans-95.72.4-16359.80000116.6L122 Q150 E230L122-S232 PolarHBondContact N-O 3.06Å; L122-S232 WeakPolarHBondContact O-CA 3.26Å; Q150-S232 PolarHBondContact O-N 2.88Å; Q150-S232 VanDerWaalsContact O-N 3.13Å; E230-S232 PolarHBondContact O-N 2.85Å; E230-S232 VanDerWaalsContact O-N 3.09Å
233K98.6Very high98.5Very high62 Ų6245.1 Ų45.127%0.2723%0.234SC..EExtended strand (participates in β ladder)trans-142146177.8-67.2172.3-75.3156.70111Q150 G152Q150-K233 HydrophobicContact CB-CB 4.21Å; Q150-K233 PolarHBondContact N-O 2.97Å; G152-K233 PolarHBondContact O-NZ 2.93Å
234L98.8Very high98.5Very high0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-117.3111.6163.4170.159.5000109.6L120 L122 I132 I134 L147 F149 I236L120-L234 HydrophobicContact CB-CB 4.29Å; L120-L234 HydrophobicContact CD2-CD2 4.4Å; L120-L234 PolarHBondContact N-O 3.12Å; L120-L234 PolarHBondContact O-N 2.9Å; L122-L234 HydrophobicContact CD1-CB 4.04Å; I132-L234 HydrophobicContact CG2-CD2 3.72Å; I134-L234 HydrophobicContact CD1-CD2 4.17Å; L147-L234 HydrophobicContact CB-CD1 4.07Å; F149-L234 HydrophobicContact CD1-CD1 4.26Å; F149-L234 HydrophobicContact CD2-CD1 3.88Å; F149-L234 HydrophobicContact CE1-CD1 4.21Å; F149-L234 HydrophobicContact CE1-CD2 4.15Å; F149-L234 HydrophobicContact CE2-CD1 3.82Å; F149-L234 HydrophobicContact CG-CD1 4.11Å; F149-L234 HydrophobicContact CZ-CD1 3.99Å; F149-L234 HydrophobicContact CZ-CD2 4Å; L234-I236 HydrophobicContact CD2-CD1 4.46Å; L234-I236 HydrophobicContact CD2-CG1 4.45Å; L234-I236 HydrophobicContact CG-CG1 4.04Å
235G98.7Very high98.5Very high9 Ų943.5 Ų43.59%0.09324%0.236CC..EExtended strand (participates in β ladder)trans-80.8133.7167.800000110.6Y118 L147 D148Y118-G235 CarbonylContact O-C 3.48Å; Y118-G235 WeakPolarHBondContact O-CA 3.33Å; L147-G235 CarbonylContact C-O 3.59Å; L147-G235 WeakPolarHBondContact CA-O 3.19Å; D148-G235 PolarHBondContact N-O 3.18Å; D148-G235 PolarHBondContact O-N 3.02Å
236I98.8Very high98.4Very high1 Ų145.9 Ų45.91%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-122.4118.4176.6-52.1-177.8000107.3P117 Y118 I134 L147 L234 I240 L242 A245P117-I236 CarbonylContact C-O 3.54Å; P117-I236 VanDerWaalsContact CA-O 3.31Å; P117-I236 WeakPolarHBondContact CA-O 3.26Å; Y118-I236 HydrophobicContact CD1-CD1 4.24Å; Y118-I236 PolarHBondContact N-O 3.23Å; Y118-I236 PolarHBondContact O-N 2.81Å; I134-I236 HydrophobicContact CD1-CD1 3.98Å; I134-I236 HydrophobicContact CG1-CD1 3.93Å; I134-I236 HydrophobicContact CG2-CD1 4.14Å; L147-I236 HydrophobicContact CD2-CB 4.24Å; L147-I236 HydrophobicContact CD2-CG1 3.99Å; L147-I236 HydrophobicContact CD2-CG2 3.83Å; L234-I236 HydrophobicContact CD2-CD1 4.46Å; L234-I236 HydrophobicContact CD2-CG1 4.45Å; L234-I236 HydrophobicContact CG-CG1 4.04Å; I236-I240 HydrophobicContact CG2-CD1 3.78Å; I236-L242 HydrophobicContact CD1-CD1 4.5Å; I236-L242 HydrophobicContact CD1-CD2 4.28Å; I236-L242 HydrophobicContact CG2-CD1 4.36Å; I236-L242 HydrophobicContact CG2-CD2 4.37Å; I236-A245 HydrophobicContact CD1-CB 3.52Å
237S98.8Very high98.4Very high22 Ų2243.2 Ų43.215%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-142.7168.1-173.871.70000113A146A146-S237 PolarHBondContact N-O 2.76Å; A146-S237 PolarHBondContact O-N 2.75Å
238G98.5Very high98.4Very high21 Ų2142 Ų4222%0.21624%0.241CC..EExtended strand (participates in β ladder)trans103.7-162.4178.600000113.5R144 I240R144-G238 CarbonylContact O-C 3.59Å; R144-G238 VanDerWaalsContact O-CA 3.29Å; R144-G238 WeakPolarHBondContact O-CA 3.4Å; G238-I240 VanDerWaalsContact C-N 3.29Å; G238-I240 PolarHBondContact O-N 3.04Å
239D98.7Very high98.4Very high53 Ų5345.7 Ų45.728%0.28326%0.259SS..SBendtrans-88.964.2-161.2-51.9-47.1000111.2K139 A142 N143 R144K139-D239 HydrophobicContact CB-CB 4.37Å; K139-D239 WeakPolarHBondContact CB-O 3.27Å; K139-D239 PolarHBondContact N-O 2.94Å; A142-D239 HydrophobicContact CB-CB 3.65Å; N143-D239 WeakPolarHBondContact CA-OD2 3.23Å; N143-D239 WeakPolarHBondContact CB-OD2 3.21Å; N143-D239 PolarHBondContact N-OD2 2.94Å; R144-D239 PolarHBondContact N-OD2 3.11Å; R144-D239 PolarHBondContact O-N 3.48Å
240I98.7Very high98.2Very high1 Ų144 Ų441%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-131.7158.7-179.766.4173.9000111.5V116 T137 K139 I145 F198 I236 G238 L242V116-I240 HydrophobicContact CG1-CG1 4.35Å; V116-I240 HydrophobicContact CG2-CD1 4.48Å; V116-I240 HydrophobicContact CG2-CG1 4.04Å; T137-I240 CarbonylContact O-C 3.52Å; T137-I240 VanDerWaalsContact O-CA 3.27Å; T137-I240 WeakPolarHBondContact O-CA 2.87Å; K139-I240 WeakPolarHBondContact CE-O 3.11Å; K139-I240 PolarHBondContact NZ-O 2.81Å; I145-I240 HydrophobicContact CD1-CG2 3.86Å; I145-I240 HydrophobicContact CG1-CG2 3.65Å; F198-I240 HydrophobicContact CE1-CB 4.06Å; F198-I240 HydrophobicContact CE1-CG2 3.63Å; F198-I240 HydrophobicContact CZ-CB 4.26Å; F198-I240 HydrophobicContact CZ-CD1 3.98Å; F198-I240 HydrophobicContact CZ-CG2 3.9Å; I236-I240 HydrophobicContact CG2-CD1 3.78Å; G238-I240 VanDerWaalsContact C-N 3.29Å; G238-I240 PolarHBondContact O-N 3.04Å; I240-L242 HydrophobicContact CD1-CB 4.3Å; I240-L242 HydrophobicContact CD1-CD1 4.21Å
241D98.2Very high98.2Very high78 Ų7842.7 Ų42.742%0.41725%0.245SC..EExtended strand (participates in β ladder)trans-104.3118.8156.1-65.2-52.7000107.9G136 T137 K139G136-D241 CarbonylContact C-O 3.41Å; G136-D241 WeakPolarHBondContact CA-O 3.39Å; T137-D241 PolarHBondContact N-O 2.72Å; T137-D241 PolarHBondContact O-N 3.23Å; K139-D241 WeakPolarHBondContact CE-OD1 3.34Å; K139-D241 VanDerWaalsContact CE-OD2 3.23Å; K139-D241 WeakPolarHBondContact CE-OD2 3.5Å; K139-D241 IonicContact NZ-OD1 2.65Å; K139-D241 PolarHBondContact NZ-OD1 3.13Å
242L98.4Very high98.2Very high1 Ų144.9 Ų44.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-91.8118.2-171-17866.8000110.4L114 V116 Y118 I134 I236 I240 A245L114-L242 HydrophobicContact CB-CB 4.07Å; L114-L242 HydrophobicContact CB-CD2 3.76Å; L114-L242 HydrophobicContact CB-CG 3.9Å; L114-L242 HydrophobicContact CD1-CD2 3.91Å; L114-L242 HydrophobicContact CD1-CG 4.05Å; L114-L242 HydrophobicContact CG-CD2 4.49Å; L114-L242 PolarHBondContact N-O 3.47Å; V116-L242 HydrophobicContact CG2-CB 3.67Å; Y118-L242 VanDerWaalsContact CB-CD2 3.46Å; Y118-L242 HydrophobicContact CD1-CD2 3.82Å; Y118-L242 HydrophobicContact CD2-CD2 4.37Å; Y118-L242 HydrophobicContact CG-CD2 3.63Å; I134-L242 HydrophobicContact CG2-CD1 3.62Å; I236-L242 HydrophobicContact CD1-CD1 4.5Å; I236-L242 HydrophobicContact CD1-CD2 4.28Å; I236-L242 HydrophobicContact CG2-CD1 4.36Å; I236-L242 HydrophobicContact CG2-CD2 4.37Å; I240-L242 HydrophobicContact CD1-CB 4.3Å; I240-L242 HydrophobicContact CD1-CD1 4.21Å; L242-A245 HydrophobicContact CD2-CB 4.45Å
243T97.6Very high98.2Very high93 Ų9344.6 Ų44.657%0.57125%0.252SS*.EExtended strand (participates in β ladder)trans-86.2-46.8179.8-51.90000111.2L135L135-T243 WeakPolarHBondContact O-CA 3.46Å; L135-T243 WeakPolarHBondContact O-CB 3.23Å; L135-T243 PolarHBondContact O-N 2.95Å
244S97.5Very high98.2Very high38 Ų3843.6 Ų43.627%0.26625%0.251SS..EExtended strand (participates in β ladder)trans-157.1153.5175.666.50000112I134 L135I134-S244 WeakPolarHBondContact CA-O 3.15Å; L135-S244 PolarHBondContact N-O 3.43Å; L135-S244 PolarHBondContact O-N 3.25Å
245A98.3Very high98.1Very high12 Ų1246.3 Ų46.310%0.09927%0.267CS..EExtended strand (participates in β ladder)trans-141.4119.6169.100000108Y118 L120 T133 I134 I236 L242Y118-A245 HydrophobicContact CD1-CB 4.12Å; Y118-A245 HydrophobicContact CE1-CB 3.92Å; L120-A245 HydrophobicContact CD2-CB 4.27Å; T133-A245 WeakPolarHBondContact O-CA 3.4Å; I134-A245 HydrophobicContact CG1-CB 4.48Å; I236-A245 HydrophobicContact CD1-CB 3.52Å; L242-A245 HydrophobicContact CD2-CB 4.45Å
246S98.1Very high98.1Very high59 Ų5948.8 Ų48.841%0.41328%0.279SS..EExtended strand (participates in β ladder)trans-146.4170-175.4650000111.2I132 T133I132-S246 WeakPolarHBondContact CA-O 3.27Å; I132-S246 WeakPolarHBondContact CG2-O 3.36Å; T133-S246 PolarHBondContact N-O 3.44Å; T133-S246 PolarHBondContact O-N 2.75Å
247Y98.4Very high98Very high103 Ų10352.2 Ų52.240%0.40430%0.298SS..EExtended strand (participates in β ladder)trans-138.6155.2172.162.9-95.2000110.8L120 L122 P123 M130 L131L120-Y247 HydrophobicContact CD2-CD1 4.28Å; L122-Y247 HydrophobicContact CD2-CD1 3.63Å; L122-Y247 HydrophobicContact CD2-CE1 3.98Å; L122-Y247 HydrophobicContact CD2-CG 4.3Å; P123-Y247 WeakPolarHBondContact CD-OH 3.5Å; M130-Y247 HydrophobicContact CE-CD1 4.08Å; M130-Y247 HydrophobicContact CE-CD2 3.35Å; M130-Y247 HydrophobicContact CE-CE1 4.46Å; M130-Y247 HydrophobicContact CE-CE2 3.81Å; M130-Y247 HydrophobicContact CE-CG 3.51Å; L131-Y247 CarbonylContact O-C 3.55Å; L131-Y247 VanDerWaalsContact O-CA 3.24Å; L131-Y247 WeakPolarHBondContact O-CA 3.46Å
248T98.1Very high98Very high78 Ų7854.5 Ų54.548%0.47931%0.309SS..EExtended strand (participates in β ladder)trans-141.4162.5170.2-172.10000109.5L131 I250L131-T248 HydrophobicContact CB-CG2 4.25Å; L131-T248 PolarHBondContact N-O 3.4Å; L131-T248 PolarHBondContact O-N 2.98Å; T248-I250 HydrophobicContact CG2-CG2 4.05Å
249M98Very high97.9Very high102 Ų10257.3 Ų57.350%0.50232%0.317SS..EExtended strand (participates in β ladder)trans-85.2144.6160.9-62.5-53.8-60.500109.1V127 P128 R129 M130V127-M249 HydrophobicContact CG1-CE 3.77Å; V127-M249 HydrophobicContact CG1-SD 3.84Å; P128-M249 WeakPolarHBondContact O-CE 3.31Å; R129-M249 HydrophobicContact CB-CE 3.9Å; M130-M249 HydrophobicContact CB-CE 4.49Å; M130-M249 HydrophobicContact CB-SD 3.9Å; M130-M249 HydrophobicContact CG-SD 4.25Å
250I95Very high97.8Very high70 Ų7057.7 Ų57.736%0.35932%0.32SS..  trans-121.20170.865.4166.7000112.1R129 L131 L203 T248R129-I250 WeakPolarHBondContact CB-O 3.37Å; R129-I250 VanDerWaalsContact CZ-O 3.31Å; R129-I250 PolarHBondContact NE-O 3.37Å; R129-I250 VanDerWaalsContact NH2-C 3.27Å; R129-I250 PolarHBondContact NH2-O 3.31Å; R129-I250 VanDerWaalsContact NH2-O 3.08Å; R129-I250 PolarHBondContact NH2-OXT 2.76Å; R129-I250 WeakPolarHBondContact O-CG1 3.29Å; R129-I250 PolarHBondContact O-N 2.68Å; L131-I250 HydrophobicContact CB-CG1 4.48Å; L131-I250 HydrophobicContact CB-CG2 3.95Å; L131-I250 HydrophobicContact CD2-CG2 3.87Å; L203-I250 HydrophobicContact CD1-CD1 3.62Å; L203-I250 HydrophobicContact CD1-CG1 3.94Å; L203-I250 HydrophobicContact CD2-CD1 4.13Å; T248-I250 HydrophobicContact CG2-CG2 4.05Å

Retrieved 250 of 250 residues in 174.6 ms (Link to these results)