A0A060XKB6_ONCMY Loading...

Snail family zinc finger 1a

AlphaFold DB , UniProt , Accession A0A060XKB6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494556, Length 257 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
1M27.9Very low38.6Very low236 Ų236175.6 Ų175.6100%1.16384%0.841SS**  01420-81.8-72.5171.500107.9
2P54.1Low38.3Very low97 Ų97169 Ų16963%0.6384%0.837SS**  -138.4174.1-89.335-17000114.9
3R32.9Very low38.4Very low227 Ų227168.5 Ų168.586%0.85784%0.839SS**  trans138.7112.3137-81.5177.6155.5126.2-5.4114.3
4S35.4Very low38.2Very low122 Ų122170.4 Ų170.485%0.85384%0.84SS**  -162.976.7125.742.10000109.8L6S4-L6 PolarHBondContact O-N 3.45Å
5F36.9Very low38Very low172 Ų172171.2 Ų171.275%0.75484%0.837SS**  trans-56.6123.4151.8-82-106.5000108.1
6L42.4Very low38.5Very low149 Ų149163.4 Ų163.478%0.7880%0.804SS**  trans-168.261151.9-101.8175.2000111.5S4S4-L6 PolarHBondContact O-N 3.45Å
7V39.3Very low38.7Very low153 Ų153159.4 Ų159.493%0.92779%0.786SS**  trans-121.358.7144.9-168.30000107.5
8K43.3Very low39.2Very low153 Ų153154.2 Ų154.267%0.66576%0.757SS**  trans-140.594167-81.6-175.2179.31780107.1
9K41.3Very low39.5Very low186 Ų186151.6 Ų151.681%0.80976%0.756SS**  trans167.3152.2147.7-90.9161.4-176.4-172.50108.3
10Y32.5Very low39.8Very low223 Ų223151.4 Ų151.488%0.87575%0.752SS**SBendtrans77.374.1-157.9-53.7-75.2000111.6
11F38.5Very low40.6Very low214 Ų214146.2 Ų146.294%0.93973%0.727SS**SBend-128.3125.254.6-71.3-94000111.7
12A35.5Very low41.9Very low96 Ų96143.3 Ų143.379%0.79371%0.711SS**  trans-59.1138.3169.200000110.1K14A12-K14 PolarHBondContact O-N 2.89Å
13N38.8Very low42.4Very low162 Ų162139.5 Ų139.587%0.86669%0.686SS**  trans-44.489.9171.5-80.6-63.2000113.1
14K35.6Very low44Very low196 Ų196135.9 Ų135.985%0.85268%0.679SS**  trans-97.5104.2143.6-97.7-176.2176.1-177.10105.9A12 P16A12-K14 PolarHBondContact O-N 2.89Å; K14-P16 WeakPolarHBondContact O-CD 3.15Å; K14-P16 VanDerWaalsContact O-N 3.1Å
15K36.2Very low44.7Very low182 Ų182136.6 Ų136.679%0.79167%0.673SS**  trans-46.6121157.9-65179-179.4177.30105.3N17K15-N17 PolarHBondContact O-N 3.15Å
16P45.4Very low45.2Very low47 Ų47130.6 Ų130.631%0.30566%0.656SS.*  trans-57.1116.5174.621.9-29.7000105.9K14 Y18 I192 T196K14-P16 WeakPolarHBondContact O-CD 3.15Å; K14-P16 VanDerWaalsContact O-N 3.1Å; P16-Y18 VanDerWaalsContact C-N 3.25Å; P16-Y18 HydrophobicContact CG-CE1 4.02Å; P16-Y18 HydrophobicContact CG-CE2 4.37Å; P16-Y18 VanDerWaalsContact O-CD2 3.3Å; P16-Y18 WeakPolarHBondContact O-CD2 2.99Å; P16-Y18 PolarHBondContact O-N 3.33Å; P16-I192 HydrophobicContact CG-CG2 4.33Å; P16-T196 HydrophobicContact CG-CG2 4.25Å
17N41.2Very low45.3Very low94 Ų94128.7 Ų128.750%0.50365%0.65SS.*  trans-66.794.8178.7-171.2-37000106.1K15 S19 E20K15-N17 PolarHBondContact O-N 3.15Å; N17-S19 PolarHBondContact O-N 3.43Å; N17-S19 VanDerWaalsContact OD1-CB 3.27Å; N17-S19 WeakPolarHBondContact OD1-CB 3.3Å; N17-S19 PolarHBondContact OD1-N 3.32Å; N17-S19 PolarHBondContact OD1-OG 2.82Å; N17-E20 PolarHBondContact O-N 2.94Å
18Y47.8Very low45.2Very low66 Ų66126.6 Ų126.626%0.25964%0.642SS.*THydrogen-bonded Turntrans-61.7-10.3-173.4-66.8-71.8000113.3P16 I192 E198P16-Y18 VanDerWaalsContact C-N 3.25Å; P16-Y18 HydrophobicContact CG-CE1 4.02Å; P16-Y18 HydrophobicContact CG-CE2 4.37Å; P16-Y18 VanDerWaalsContact O-CD2 3.3Å; P16-Y18 WeakPolarHBondContact O-CD2 2.99Å; P16-Y18 PolarHBondContact O-N 3.33Å; Y18-I192 HydrophobicContact CE1-CG2 4.05Å; Y18-E198 PolarHBondContact OH-OE2 3.33Å
19S44.8Very low45.1Very low105 Ų105123 Ų12373%0.73463%0.63SS**THydrogen-bonded Turntrans-79.2-20.2174.5-8.70000113.5N17N17-S19 PolarHBondContact O-N 3.43Å; N17-S19 VanDerWaalsContact OD1-CB 3.27Å; N17-S19 WeakPolarHBondContact OD1-CB 3.3Å; N17-S19 PolarHBondContact OD1-N 3.32Å; N17-S19 PolarHBondContact OD1-OG 2.82Å
20E46.5Very low44.6Very low148 Ų148121.6 Ų121.669%0.69263%0.626SS**  trans-103.42.6-170.3-157171.2-174.300113.3N17 E22N17-E20 PolarHBondContact O-N 2.94Å; E20-E22 PolarHBondContact O-N 2.86Å
21L56.5Low44.9Very low43 Ų43122.2 Ų122.223%0.22563%0.627CS.*  trans-75.568.6168.5-75138.4000109.3C23 L188 I192L21-C23 PolarHBondContact O-N 3.18Å; L21-L188 HydrophobicContact CD2-CD2 3.66Å; L21-L188 HydrophobicContact CD2-CG 4.16Å; L21-I192 HydrophobicContact CD1-CD1 3.42Å; L21-I192 VanDerWaalsContact CD1-CD1 3.42Å; L21-I192 HydrophobicContact CD2-CD1 3.56Å; L21-I192 HydrophobicContact CG-CD1 4.15Å
22E55.1Low44.8Very low175 Ų175122 Ų12282%0.81862%0.621SS**  trans-67.8111171.3-66-16814100108.1E20 Q24E20-E22 PolarHBondContact O-N 2.86Å; E22-Q24 PolarHBondContact O-N 3.17Å
23C65.1Low44.9Very low17 Ų17123 Ų12312%0.11562%0.62CS.*  trans-66.5131.4166.7-61.50000107.4L21 N25 C173 P185L21-C23 PolarHBondContact O-N 3.18Å; C23-N25 PolarHBondContact O-N 3.41Å; C23-C173 HydrophobicContact CB-CB 4.12Å; C23-C173 WeakPolarHBondContact CB-SG 3.49Å; C23-C173 WeakPolarHBondContact SG-CB 3.24Å; C23-C173 CovalentContact SG-SG 2.04Å; C23-C173 PolarHBondContact SG-SG 3Å; C23-P185 VanDerWaalsContact SG-CB 3.58Å
24Q66.7Low44.7Very low151 Ų151123.2 Ų123.271%0.70662%0.62SS**  trans-49121.3176.3-68.1174.9-6.600108.9E22 A26 P172E22-Q24 PolarHBondContact O-N 3.17Å; Q24-A26 PolarHBondContact O-N 3.46Å; Q24-P172 HydrophobicContact CB-CB 4.49Å; Q24-P172 PolarHBondContact N-O 2.83Å; Q24-P172 WeakPolarHBondContact O-CB 3.46Å
25N49.9Very low44.7Very low137 Ų137118 Ų11873%0.73361%0.614SS**  trans-61.4113.6-174.7-76.8-29.8000108.8C23 T27C23-N25 PolarHBondContact O-N 3.41Å; N25-T27 HydrophobicContact CB-CG2 4.44Å; N25-T27 WeakPolarHBondContact CB-OG1 3.44Å; N25-T27 PolarHBondContact O-N 3.16Å
26A46.3Very low44.8Very low46 Ų46118.2 Ų118.238%0.3862%0.618SS.*  trans-74.343.5172.600000111.4Q24Q24-A26 PolarHBondContact O-N 3.46Å
27T44.2Very low44.4Very low108 Ų108123.7 Ų123.766%0.66364%0.643SS**  trans-97.511.6-172.940.40000115.1N25 L29N25-T27 HydrophobicContact CB-CG2 4.44Å; N25-T27 WeakPolarHBondContact CB-OG1 3.44Å; N25-T27 PolarHBondContact O-N 3.16Å; T27-L29 PolarHBondContact O-N 2.95Å
28S37.9Very low44.1Very low110 Ų110124.9 Ų124.977%0.76966%0.656SS**  trans-76.368.7159-79.40000110.4
29L41.4Very low43.6Very low76 Ų76126.1 Ų126.140%0.39868%0.68SS.*  trans-95.885.7143.4-78.8165.1000104.7T27 R31 L159 K163T27-L29 PolarHBondContact O-N 2.95Å; L29-R31 PolarHBondContact O-N 3.47Å; L29-L159 HydrophobicContact CD1-CD1 4Å; L29-L159 HydrophobicContact CD1-CG 4.49Å; L29-K163 HydrophobicContact CD1-CD 3.72Å; L29-K163 HydrophobicContact CD1-CG 3.63Å
30E29.9Very low42.9Very low158 Ų158124.3 Ų124.374%0.73868%0.679SS**  trans-47.7116.2160.3-72.1-86.2121.200106.5Y32E30-Y32 PolarHBondContact O-N 2.9Å
31R39.3Very low42.4Very low236 Ų236124.6 Ų124.689%0.89169%0.685SS**  trans-61109.3160.6-80.4-178.1-173.8133.1-2104.6L29L29-R31 PolarHBondContact O-N 3.47Å
32Y36.2Very low41.5Very low208 Ų208129.2 Ų129.282%0.81671%0.71SS**  trans-56.9129.6156.9-85.9-89.8000107E30 L34E30-Y32 PolarHBondContact O-N 2.9Å; Y32-L34 PolarHBondContact O-N 3.15Å; Y32-L34 VanDerWaalsContact O-N 3.12Å
33P37.9Very low40.5Very low118 Ų118128.2 Ų128.277%0.76671%0.71SS**  trans-55121.3169.4-19.630.3000107.7A35P33-A35 PolarHBondContact O-N 3.39Å
34L35.3Very low39.1Very low166 Ų166132.6 Ų132.687%0.86974%0.741SS**  trans-59.1112.6158.3-81.7163.3000104.8Y32 E36Y32-L34 PolarHBondContact O-N 3.15Å; Y32-L34 VanDerWaalsContact O-N 3.12Å; L34-E36 PolarHBondContact O-N 2.76Å
35A35.7Very low37.5Very low88 Ų88129.7 Ų129.773%0.72774%0.743SS**  trans-53.2113.816500000106.6P33 L37P33-A35 PolarHBondContact O-N 3.39Å; A35-L37 PolarHBondContact O-N 3.43Å
36E36.9Very low36.8Very low186 Ų186128.9 Ų128.987%0.86974%0.743SS**  trans-63.9107.9168.2-65.3-156.3136.800106.4L34 P38L34-E36 PolarHBondContact O-N 2.76Å; E36-P38 WeakPolarHBondContact O-CD 3.4Å
37L38.2Very low36.4Very low161 Ų161131.6 Ų131.684%0.84376%0.755SS**PPolyproline II helixtrans-63.1120164.8-72.7165.1000106.3A35 A39A35-L37 PolarHBondContact O-N 3.43Å; L37-A39 PolarHBondContact O-N 2.87Å
38P34.4Very low36.1Very low119 Ų119132 Ų13277%0.77376%0.761SS**PPolyproline II helixtrans-63.2132.3174.824.7-30.9000108.9E36 G40E36-P38 WeakPolarHBondContact O-CD 3.4Å; P38-G40 PolarHBondContact O-N 2.77Å
39A37Very low35.9Very low92 Ų92137.2 Ų137.276%0.7677%0.765SS**PPolyproline II helixtrans-52.3120.916900000108.5L37 D41L37-A39 PolarHBondContact O-N 2.87Å; A39-D41 PolarHBondContact O-N 2.71Å
40G30.1Very low35.9Very low68 Ų68139.9 Ų139.970%0.70179%0.785SS**PPolyproline II helixtrans-75.1117.1174.300000109.6P38P38-G40 PolarHBondContact O-N 2.77Å
41D35.3Very low36.3Very low154 Ų154137.1 Ų137.182%0.82479%0.789SS**  trans-102.8114.1157.2-66.1-29.1000107.9A39 N43A39-D41 PolarHBondContact O-N 2.71Å; D41-N43 PolarHBondContact O-N 2.76Å
42N38.8Very low36.3Very low140 Ų140129.1 Ų129.175%0.74978%0.78SS**  trans-73.6107.1176.643.9-45.4000110.8
43N34.2Very low36.7Very low154 Ų154127 Ų12782%0.82478%0.782SS**  trans-174.8143133.2-100.7-24.8000115.1D41D41-N43 PolarHBondContact O-N 2.76Å
44S35.2Very low36.7Very low108 Ų108128.1 Ų128.176%0.75579%0.786SS**  trans62.5101.1158.762.20000120.4
45A33.2Very low36.9Very low91 Ų91131.8 Ų131.875%0.75279%0.789SS**  48.3132.112400000121.2
46T35.5Very low36.9Very low120 Ų120134.6 Ų134.674%0.73679%0.792SS**  trans116.2120.4135.3-410000115.6
47T38.1Very low37.4Very low102 Ų102132.1 Ų132.163%0.62679%0.789SS**  trans72.3107.3152.247.30000121.2
48C38.7Very low38Very low118 Ų118128.9 Ų128.980%0.79778%0.78SS**  trans-22.3125.9133.941.50000115.9
49Y33.3Very low38.4Very low219 Ų219132.9 Ų132.986%0.85979%0.785SS**  trans-141.4136.5151.7-95.4-82.9000110.7
50T41.7Very low38.6Very low131 Ų131136 Ų13680%0.80479%0.788SS**  trans-71144.3-179.147.80000113.6
51A38.3Very low39.5Very low100 Ų100138.1 Ų138.183%0.82679%0.79SS**  trans164.1125.1139.900000107.2
52G37.6Very low39.9Very low69 Ų69134.4 Ų134.471%0.71178%0.781SS**  cis89.180.937.600000109.1
53L44.6Very low40.1Very low163 Ų163135.6 Ų135.685%0.85379%0.786SS**  trans-134.6107.2164.7-74.4179.2000110.9
54V39.8Very low40.5Very low141 Ų141138.4 Ų138.486%0.85579%0.786SS**  trans-48138163.7-1060000112.2
55W38.1Very low40.8Very low244 Ų244138.8 Ų138.892%0.92478%0.784SS**  trans-94.8103.2166.2-70.511.5000108.2V57W55-V57 PolarHBondContact O-N 3.4Å
56D36.1Very low41.2Very low147 Ų147138.5 Ų138.579%0.78678%0.775SS**  trans-73.2118.9171.5-161.1-37.6000109.2S58D56-S58 PolarHBondContact O-N 2.83Å
57V47.7Very low41.3Very low134 Ų134139.1 Ų139.181%0.81278%0.778SS**  trans-90.992.1175179.70000107.1W55W55-V57 PolarHBondContact O-N 3.4Å
58S51.1Low41.3Very low92 Ų92143.5 Ų143.564%0.64379%0.789SS**  trans-162.8100.3163.9-81.20000108.7D56D56-S58 PolarHBondContact O-N 2.83Å
59F42Very low41.7Very low204 Ų204144.1 Ų144.190%0.89579%0.791SS**  trans173.590.8134.5-108.6-92.5000109.8
60L41.7Very low42.1Very low157 Ų157139.8 Ų139.882%0.82279%0.788SS**  trans-84.7146.3149.6-87.6151.7000107.9
61P48.5Very low41.7Very low112 Ų112141.4 Ų141.473%0.72779%0.792SS**  -135.1129.1108.632.1-18.5000110.5
62A43.4Very low41.5Very low77 Ų77140.5 Ų140.564%0.63679%0.785SS**  70.1106.87200000114
63L43.4Very low41.5Very low165 Ų165142.6 Ų142.686%0.86479%0.788SS**  trans83.592.2148.5-50.5178.6000119.6
64Y42.5Very low41.4Very low212 Ų212140.7 Ų140.783%0.83179%0.785SS**  trans-146.9109.7133.4-167.3-108.3000110.5P66Y64-P66 HydrophobicContact CD1-CG 4.13Å; Y64-P66 HydrophobicContact CE1-CG 3.91Å
65V41.3Very low41.5Very low117 Ų117140 Ų14071%0.70978%0.782SS**  trans-108.1116.4174.6177.80000107.4
66P41.3Very low41.7Very low85 Ų85134.5 Ų134.555%0.55278%0.778SS**PPolyproline II helixtrans-82118.5165.6-925.8000110.1Y64Y64-P66 HydrophobicContact CD1-CG 4.13Å; Y64-P66 HydrophobicContact CE1-CG 3.91Å
67T37.6Very low41.7Very low132 Ų132130.9 Ų130.981%0.8178%0.775SS**PPolyproline II helixtrans-67128.4172.645.80000111.7
68F38.4Very low42.2Very low195 Ų195130.3 Ų130.386%0.85577%0.774SS**PPolyproline II helixtrans-84137.3166.9-70.5-89.7000110.3
69P48.1Very low41.5Very low130 Ų130134.2 Ų134.284%0.84479%0.786SS**  trans-85.3115.6162.187.7000110.6
70T41.4Very low40.8Very low128 Ų128131 Ų13179%0.78578%0.779SS**  trans-80.4128.6157.243.20000109.4
71D32.2Very low40.3Very low165 Ų165130.3 Ų130.388%0.88278%0.775SS**  -172.9157.6126.1-127.8-41.2000114.3
72A34.9Very low39.4Very low82 Ų82130.2 Ų130.268%0.67878%0.777SS**  trans82.991.6153.800000120.2
73S36.8Very low39.2Very low113 Ų113131.8 Ų131.879%0.7978%0.784SS**  trans-60.7159.7141.1-79.10000111.5
74P42.5Very low39.2Very low122 Ų122130 Ų13079%0.79278%0.782SS**  -136.4133.5115.433.1-20000113.3
75T42.8Very low38.6Very low128 Ų128124.8 Ų124.879%0.78578%0.776SS**  trans-63.9152.5157.546.10000110.9
76P41.3Very low38Very low128 Ų128123.9 Ų123.983%0.83178%0.775SS**  -135.6156.5115.630.7-15.9000113.5
77G37.5Very low37.5Very low70 Ų70127.5 Ų127.572%0.72279%0.789SS**  trans-80.4-154.1-172.800000116.3
78P56.9Low37.1Very low123 Ų123126.3 Ų126.380%0.79979%0.786SS**  trans-97.1149.9-132.136.7-34.4000113.5
79L36.5Very low36.8Very low173 Ų173122.3 Ų122.391%0.90678%0.782SS**  trans-135.8108.3163.3-70.8177.1000110.7
80D27.9Very low36Very low136 Ų136121.5 Ų121.573%0.72778%0.78SS**  trans14.8135.9145.6-102.6-37000123.4
81L31.3Very low35.5Very low144 Ų144120.3 Ų120.375%0.75478%0.783SS**  trans28.7117.7132.9-69.9165.2000118.1
82S29.8Very low35.5Very low109 Ų109118.3 Ų118.376%0.76278%0.782SS**  163.9127.7103.8-70.50000111.4
83S39.4Very low35.4Very low111 Ų111120.1 Ų120.178%0.77679%0.789SS**  trans-52.6155158.1-52.70000111.2
84P43Very low35.2Very low127 Ų127119.7 Ų119.783%0.82579%0.787SS**  trans-121.8121.1136.531.5-23.8000111.4
85S29.1Very low34.7Very low102 Ų102117.7 Ų117.771%0.71379%0.788SS**  trans-66.5142.1155.1-51.40000109.9
86S29.2Very low34.4Very low98 Ų98120.4 Ų120.469%0.68579%0.792SS**  trans82.5144.2134.768.60000121.7
87L30.8Very low34.2Very low161 Ų161124 Ų12484%0.84380%0.798SS**  trans89.8104153.4-51.5176.2000118.7
88S30.1Very low33.9Very low107 Ų107127.5 Ų127.575%0.74880%0.8SS**  -178.7109.8108.662.30000109
89S31.4Very low32.8Very low111 Ų111129.8 Ų129.878%0.77680%0.8SS**  88.110194.4-58.60000113.6
90S31.2Very low32.5Very low114 Ų114125.3 Ų125.380%0.79780%0.795SS**  trans-2.9137.8140.847.40000119.5
91A30.7Very low32.9Very low103 Ų103130 Ų13085%0.85180%0.802SS**  -157.9105.9128.900000110.3
92S31.7Very low32.9Very low122 Ų122128.7 Ų128.785%0.85380%0.801SS**  trans-77.5140.1154.3-54.20000107.8
93S34Very low32.9Very low120 Ų120129.5 Ų129.584%0.83981%0.806SS**  trans-143.2107151.3-160.50000108.9
94S31.3Very low32.6Very low105 Ų105132 Ų13273%0.73481%0.811SS**  trans-54.814614537.70000110.1
95G33.2Very low32.7Very low79 Ų79131 Ų13181%0.81481%0.805SS**  trans-150.9101.3168.100000106.4
96E36.3Very low33Very low185 Ų185132.1 Ų132.186%0.86481%0.809SS**  trans-86.8129.2171.6-62.4165.8116.900107.4
97E36.5Very low33.1Very low205 Ų205132.7 Ų132.796%0.95881%0.813SS**  trans-142.5126.6156.8-63.9-170.7149.700107.8
98D30.9Very low33.8Very low143 Ų143131 Ų13177%0.76581%0.812SS**  trans-117.3151.6-167.4-161.7-136.3000109.7
99E34.5Very low33.8Very low171 Ų171134.7 Ų134.780%0.79982%0.817SS**  trans71.8130.1162.5-55.4-6584.800122.2
100G30.1Very low33.9Very low78 Ų78134.8 Ų134.880%0.80482%0.818SS**  trans163.235.4158.300000122.5
101R35.8Very low34.2Very low235 Ų235135.5 Ų135.589%0.88782%0.818SS**  trans22.9132.9156.1-106.2-175.6170.5-176.8-3.3124
102T30.9Very low34.5Very low117 Ų117138.6 Ų138.672%0.71882%0.82SS**  trans76.4105.9136.651.60000121.7
103S31.3Very low34.9Very low126 Ų126137.8 Ų137.888%0.88181%0.81SS**  -165.1115.8118.2-7.40000110.5
104D33Very low35.2Very low162 Ų162141.7 Ų141.787%0.86681%0.808SS**  trans-88.2173.8164.6-74.2-61.3000109.8
105P43.9Very low35.8Very low108 Ų108144.1 Ų144.170%0.70181%0.807SS**  -127.1-167.5-94.529.8-5000111.7
106P35.2Very low36.3Very low124 Ų124144.5 Ų144.581%0.80580%0.796SS**  trans-122.3135.1141.134-25.6000112.9
107S32.7Very low36.4Very low111 Ų111141.5 Ų141.578%0.77679%0.792SS**  trans-56.9156.9165.8-570000111.9
108P44.1Very low36.5Very low125 Ų125139.6 Ų139.681%0.81278%0.783SS**  -139156.7103.132.3-17000115
109E31.4Very low36.9Very low185 Ų185143.5 Ų143.586%0.86479%0.787SS**  trans-58.9140.1-179.3-63.3162.7105.300114.4
110S33.2Very low37.2Very low113 Ų113141 Ų14179%0.7979%0.786SS**  trans177.299.1132.641.40000108.8D112S110-D112 PolarHBondContact O-N 2.89Å
111T38.3Very low37.6Very low129 Ų129146 Ų14679%0.79179%0.786SS**  trans-85.688.1-179.849.80000110.6T113T111-T113 PolarHBondContact O-N 3.15Å
112D37Very low37.6Very low167 Ų167146.5 Ų146.589%0.89379%0.787SS**  trans-89.789.3159.4-84.8-30.7000109.1S110 Y114S110-D112 PolarHBondContact O-N 2.89Å; D112-Y114 PolarHBondContact O-N 3.46Å; D112-Y114 VanDerWaalsContact O-N 3.12Å
113T39.7Very low38Very low106 Ų106148 Ų14865%0.6579%0.79SS**  trans-67.4106.2176.2-61.40000109.2T111 H115T111-T113 PolarHBondContact O-N 3.15Å; T113-H115 PolarHBondContact O-N 2.87Å
114Y39.3Very low38.2Very low202 Ų202147.4 Ų147.479%0.79279%0.785SS**  trans-65.297.6170.2-171.5-95.4000109.7D112 P116D112-Y114 PolarHBondContact O-N 3.46Å; D112-Y114 VanDerWaalsContact O-N 3.12Å; Y114-P116 WeakPolarHBondContact O-CD 3.38Å
115H44.4Very low38.5Very low155 Ų155145.6 Ų145.672%0.71878%0.78SS**  trans-78.7120.3170.5-101.8-20.9000110T113T113-H115 PolarHBondContact O-N 2.87Å
116P43.4Very low38.3Very low88 Ų88148.5 Ų148.557%0.57178%0.782SS**  trans-63.8141.4171.325.8-31.7000109.7Y114 Q118Y114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-Q118 PolarHBondContact O-N 3.31Å
117P38.5Very low38.3Very low122 Ų122148.1 Ų148.179%0.79278%0.782SS**  trans-60.8111.8-179.222.4-31.3000110.1R119P117-R119 PolarHBondContact O-N 3.36Å; P117-R119 VanDerWaalsContact O-N 3.13Å
118Q39.6Very low38.7Very low165 Ų165150.4 Ų150.477%0.77178%0.78SS**  trans-59.8112.7171.7-69.4-103.1-7.200107.9P116P116-Q118 PolarHBondContact O-N 3.31Å
119R38.6Very low38.2Very low225 Ų225147.8 Ų147.885%0.84978%0.776SS**PPolyproline II helixtrans-59.1126.9169.2-169.4-176.9-160.4-138.93.6107.5P117 K121P117-R119 PolarHBondContact O-N 3.36Å; P117-R119 VanDerWaalsContact O-N 3.13Å; R119-K121 PolarHBondContact O-N 3.03Å; R119-K121 VanDerWaalsContact O-N 3.11Å
120P41.6Very low38.7Very low118 Ų118144 Ų14477%0.76678%0.776SS**PPolyproline II helixtrans-57123.9177.918.3-28.2000109.5R122P120-R122 PolarHBondContact O-N 3.16Å
121K38.4Very low39Very low184 Ų184144.4 Ų144.480%0.878%0.776SS**PPolyproline II helixtrans-60.7123.3171.4-70.5177.7-179.11740106.9R119 I123R119-K121 PolarHBondContact O-N 3.03Å; R119-K121 VanDerWaalsContact O-N 3.11Å; K121-I123 PolarHBondContact O-N 3.18Å
122R34.8Very low38.8Very low244 Ų244145.4 Ų145.492%0.92178%0.777SS**  trans-59.2112.1175.6-156.8178.4-164.6-130.73107.2P120 S124P120-R122 PolarHBondContact O-N 3.16Å; R122-S124 PolarHBondContact O-N 3.06Å
123I38.7Very low39.4Very low150 Ų150145.6 Ų145.677%0.76977%0.772SS**  trans-62.6109172.1-63.7167.1000105.9K121 T125K121-I123 PolarHBondContact O-N 3.18Å; I123-T125 HydrophobicContact CG2-CG2 4.47Å; I123-T125 PolarHBondContact O-N 3.31Å
124S35.8Very low39.8Very low112 Ų112148.3 Ų148.378%0.78378%0.783SS**  trans-73.1101.1165.4-172.20000106R122 K126R122-S124 PolarHBondContact O-N 3.06Å; S124-K126 PolarHBondContact O-N 2.9Å
125T39.2Very low39.8Very low125 Ų125147.3 Ų147.377%0.76779%0.785SS**  trans-62.3108.2172.746.70000108.4I123 S127I123-T125 HydrophobicContact CG2-CG2 4.47Å; I123-T125 PolarHBondContact O-N 3.31Å; T125-S127 PolarHBondContact O-N 2.97Å
126K41.3Very low40.2Very low168 Ų168152 Ų15273%0.7380%0.797SS**  trans-75.6104.6169.3-173.4177.7-171.6-162.20107.3S124 H128S124-K126 PolarHBondContact O-N 2.9Å; K126-H128 WeakPolarHBondContact CE-NE2 3.39Å; K126-H128 PolarHBondContact NZ-NE2 3.22Å
127S34.3Very low40.7Very low116 Ų116153.6 Ų153.681%0.81181%0.805SS**  trans-91.1110.5166.151.40000108.7T125T125-S127 PolarHBondContact O-N 2.97Å
128H41.3Very low41.1Very low159 Ų159151.6 Ų151.674%0.73680%0.798SS**  trans-81.9135.5158.1-80.4-74.6000108.6K126K126-H128 WeakPolarHBondContact CE-NE2 3.39Å; K126-H128 PolarHBondContact NZ-NE2 3.22Å
129G33.4Very low41.5Very low70 Ų70149.3 Ų149.372%0.72280%0.798SS**  trans161.188173.100000109.7
130A41.1Very low42.1Very low106 Ų106145.1 Ų145.188%0.87680%0.797SS**  trans-78.1134.116400000108.5
131P40.6Very low42.6Very low122 Ų122146 Ų14679%0.79280%0.8SS**  trans-107.9144.1154.219.1-0.5000110.4
132N34.7Very low43.4Very low150 Ų150141.4 Ų141.480%0.80280%0.796SS**  trans-48.9147.4-175.1-67-39.7000114.9D134N132-D134 PolarHBondContact O-N 3.46Å
133E49.5Very low44.8Very low171 Ų171134.2 Ų134.280%0.79979%0.789SS**  trans-51.5111.8157.630.9-104.8101.900112.8
134D46.6Very low45.9Very low163 Ų163135.8 Ų135.887%0.87279%0.785SS**  trans-173.5150.2134-92.1-39.2000110.1N132N132-D134 PolarHBondContact O-N 3.46Å
135E40.3Very low47.2Very low181 Ų181135.1 Ų135.185%0.84678%0.779SS**  trans78.784.9-175.9-76.1-172.889.400118.7V137E135-V137 PolarHBondContact O-N 2.77Å
136R53.1Low49.1Very low254 Ų254131.2 Ų131.296%0.95876%0.759SS**  trans-65.291.4158.7-172.4-175-162.1171.74.9110.7
137V53.1Low51.2Low121 Ų121126.3 Ų126.373%0.73374%0.738SS**  trans-118.6115.3154.7-174.40000108.1E135E135-V137 PolarHBondContact O-N 2.77Å
138A46.8Very low53.6Low80 Ų80127.1 Ų127.166%0.66173%0.727SS**  trans-56.8139-17400000112.4V140A138-V140 PolarHBondContact O-N 3.16Å
139P49.5Very low55.9Low116 Ų116120 Ų12075%0.75370%0.695SS**  trans-70.8117.6171.427.9-29.9000108.5T141P139-T141 PolarHBondContact O-N 2.93Å
140V50.4Low58.5Low138 Ų138125 Ų12584%0.83670%0.697SS**  trans-49.8110.4170.9-179.90000107.7A138 A142A138-V140 PolarHBondContact O-N 3.16Å; V140-A142 VanDerWaalsContact C-N 3.26Å; V140-A142 PolarHBondContact O-N 3.44Å
141T50.8Low60.7Low135 Ų135124.5 Ų124.583%0.82868%0.676SS**  trans-65.390.9175.244.80000107.6P139 A143P139-T141 PolarHBondContact O-N 2.93Å; T141-A143 VanDerWaalsContact C-N 3.28Å; T141-A143 PolarHBondContact O-N 3.34Å
142A56.6Low63.1Low88 Ų88120 Ų12073%0.72765%0.647SS**  trans-63.295.7170.700000107.5V140 R144V140-A142 VanDerWaalsContact C-N 3.26Å; V140-A142 PolarHBondContact O-N 3.44Å; A142-R144 PolarHBondContact O-N 3.49Å
143A62.8Low65.6Low93 Ų93119.2 Ų119.277%0.76965%0.65SS**  trans-53.4107.3172.400000107.5T141T141-A143 VanDerWaalsContact C-N 3.28Å; T141-A143 PolarHBondContact O-N 3.34Å
144R61.9Low67.4Low183 Ų183116.7 Ų116.769%0.69164%0.637SS**PPolyproline II helixtrans-59.8129.5174.4-75175.869.7154.52.2107A142 A146A142-R144 PolarHBondContact O-N 3.49Å; R144-A146 PolarHBondContact O-N 2.72Å
145P63.3Low69.4Low99 Ų99115 Ų11564%0.64362%0.624SS**PPolyproline II helixtrans-59.6116.8177.721.7-30.5000109.1
146A78.7Confident71.6Confident42 Ų42108.7 Ų108.735%0.34759%0.592SS.*PPolyproline II helixtrans-85.1135.2175.300000109.2R144 F148R144-A146 PolarHBondContact O-N 2.72Å; A146-F148 HydrophobicContact CB-CE2 4.03Å; A146-F148 HydrophobicContact CB-CZ 3.85Å; A146-F148 VanDerWaalsContact O-CE2 3.29Å; A146-F148 WeakPolarHBondContact O-CE2 3.37Å
147F85.9Confident73.3Confident66 Ų66101.1 Ų101.129%0.28957%0.574SS.*EExtended strand (participates in β ladder)trans-102.1125.3175.5-63.5-85.1000108.9E155 Y156 L159 L162F147-E155 CarbonylContact O-C 3.55Å; F147-E155 WeakPolarHBondContact O-CA 3.08Å; F147-Y156 PolarHBondContact N-O 2.99Å; F147-Y156 PolarHBondContact O-N 2.06Å; F147-L159 HydrophobicContact CD1-CB 4.19Å; F147-L159 HydrophobicContact CD1-CD1 3.92Å; F147-L159 HydrophobicContact CE1-CB 3.83Å; F147-L159 HydrophobicContact CE1-CD1 4.02Å; F147-L159 HydrophobicContact CE1-CG 4.42Å; F147-L159 HydrophobicContact CE2-CB 4.27Å; F147-L159 VanDerWaalsContact CE2-N 3.32Å; F147-L159 HydrophobicContact CZ-CB 3.87Å; F147-L162 HydrophobicContact CB-CB 4.05Å; F147-L162 HydrophobicContact CB-CD2 3.73Å; F147-L162 HydrophobicContact CB-CG 4.45Å
148F86.3Confident75Confident132 Ų13297.8 Ų97.858%0.57956%0.557SS**EExtended strand (participates in β ladder)trans-101.9144.1-175.8-56.4-92.3000111.2A146 E155 L162A146-F148 HydrophobicContact CB-CE2 4.03Å; A146-F148 HydrophobicContact CB-CZ 3.85Å; A146-F148 VanDerWaalsContact O-CE2 3.29Å; A146-F148 WeakPolarHBondContact O-CE2 3.37Å; F148-E155 HydrophobicContact CD1-CG 3.64Å; F148-E155 VanDerWaalsContact CE1-CD 3.44Å; F148-E155 HydrophobicContact CE1-CG 3.61Å; F148-E155 WeakPolarHBondContact CE1-OE1 3.34Å; F148-L162 WeakPolarHBondContact O-CD2 3.26Å
149C89Confident76.9Confident11 Ų1197.1 Ų97.17%0.07454%0.541CS..PPolyproline II helixtrans-85130.7170.8-176.20000111.2H151 C152 K154 L162 H165C149-H151 VanDerWaalsContact C-N 3.25Å; C149-H151 PolarHBondContact O-N 2.79Å; C149-H151 PolarHBondContact SG-N 3.04Å; C149-H151 VanDerWaalsContact SG-N 3.44Å; C149-C152 WeakPolarHBondContact CB-O 3.44Å; C149-C152 VanDerWaalsContact SG-SG 3.68Å; C149-K154 PolarHBondContact N-O 2.91Å; C149-K154 VanDerWaalsContact N-O 3.12Å; C149-L162 HydrophobicContact CB-CD1 3.82Å; C149-H165 PolarHBondContact SG-CD2 3.48Å; C149-H165 PolarHBondContact SG-NE2 2.8Å
150K87.6Confident78.7Confident173 Ų17394 Ų9475%0.75253%0.531SS*.THydrogen-bonded Turntrans-71.3-17.3176.668.3-178.8-175.2177.50114.6
151H87.8Confident80.5Confident97 Ų9789.1 Ų89.145%0.44951%0.505SS..THydrogen-bonded Turntrans-101.7-11.2-176.4-62-68.2000113.1C149 H169C149-H151 VanDerWaalsContact C-N 3.25Å; C149-H151 PolarHBondContact O-N 2.79Å; C149-H151 PolarHBondContact SG-N 3.04Å; C149-H151 VanDerWaalsContact SG-N 3.44Å; H151-H169 HydrophobicContact CB-CB 4.27Å
152C91.3Very high82.3Confident27 Ų2783.3 Ų83.318%0.18247%0.469CS..SBendtrans-161159.1-179.671.70000111.1C149 K154 H165C149-C152 WeakPolarHBondContact CB-O 3.44Å; C149-C152 VanDerWaalsContact SG-SG 3.68Å; C152-K154 PolarHBondContact O-N 3.28Å; C152-H165 PolarHBondContact SG-NE2 3.37Å
153P87.4Confident83.8Confident133 Ų13383.5 Ų83.586%0.86445%0.453SS*.SBendtrans-74.623.3-174.631.5-37.4000114.6
154K86.8Confident84.9Confident119 Ų11983.8 Ų83.852%0.51744%0.44SS..  trans-86.6138.2-177.9-67.5-178.4-177.3177.30111.7C149 C152 Y156C149-K154 PolarHBondContact N-O 2.91Å; C149-K154 VanDerWaalsContact N-O 3.12Å; C152-K154 PolarHBondContact O-N 3.28Å; K154-Y156 HydrophobicContact CB-CE2 3.77Å
155E88.8Confident86.2Confident128 Ų12876 Ų7660%0.59841%0.411SS*.EExtended strand (participates in β ladder)trans-109.9148.6179.4-56.8-176.8-166.600111.6F147 F148F147-E155 CarbonylContact O-C 3.55Å; F147-E155 WeakPolarHBondContact O-CA 3.08Å; F148-E155 HydrophobicContact CD1-CG 3.64Å; F148-E155 VanDerWaalsContact CE1-CD 3.44Å; F148-E155 HydrophobicContact CE1-CG 3.61Å; F148-E155 WeakPolarHBondContact CE1-OE1 3.34Å
156Y86.6Confident87.3Confident47 Ų4772.7 Ų72.718%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-135.4139-176.7-65-84.2000110.5F147 K154 S158 A161 L162 H165F147-Y156 PolarHBondContact N-O 2.99Å; F147-Y156 PolarHBondContact O-N 2.06Å; K154-Y156 HydrophobicContact CB-CE2 3.77Å; Y156-S158 VanDerWaalsContact C-N 3.25Å; Y156-S158 PolarHBondContact O-N 2.65Å; Y156-A161 HydrophobicContact CD1-CB 3.71Å; Y156-A161 HydrophobicContact CG-CB 4.35Å; Y156-L162 HydrophobicContact CD2-CB 4.06Å; Y156-L162 HydrophobicContact CD2-CD1 3.75Å; Y156-L162 HydrophobicContact CE2-CD1 4.13Å; Y156-L162 HydrophobicContact CG-CB 4.15Å; Y156-H165 HydrophobicContact CE1-CB 3.9Å; Y156-H165 HydrophobicContact CE2-CB 3.83Å; Y156-H165 AromaticContact CE2-CD2 3.42Å; Y156-H165 VanDerWaalsContact CE2-CD2 3.42Å; Y156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; Y156-H165 AromaticContact CE2-CG 3.6Å; Y156-H165 VanDerWaalsContact CZ-CB 3.42Å; Y156-H165 AromaticContact CZ-CD2 3.66Å; Y156-H165 AromaticContact CZ-CG 3.33Å; Y156-H165 AromaticContact CZ-ND1 3.92Å; Y156-H165 WeakPolarHBondContact OH-CB 3.45Å; Y156-H165 PolarHBondContact OH-CD2 2.97Å; Y156-H165 PolarHBondContact OH-ND1 3.11Å
157T87.9Confident87.7Confident95 Ų9572.8 Ų72.858%0.58338%0.379SS*.SBendtrans-82.8-2.4177.155.60000113.5
158S88.2Confident87.8Confident52 Ų5272.4 Ų72.436%0.36439%0.385SS..SBendtrans-146.8143.2178.267.80000111.9Y156 G160 A161 L162Y156-S158 VanDerWaalsContact C-N 3.25Å; Y156-S158 PolarHBondContact O-N 2.65Å; S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 2.78Å; S158-A161 PolarHBondContact O-N 2.85Å; S158-A161 VanDerWaalsContact OG-CB 3.26Å; S158-A161 WeakPolarHBondContact OG-CB 3.28Å; S158-A161 PolarHBondContact OG-N 3.41Å; S158-L162 PolarHBondContact O-N 3.32Å; S158-L162 VanDerWaalsContact O-N 3.12Å
159L87.1Confident87.8Confident65 Ų6569.7 Ų69.734%0.3437%0.374SS..Hα-helixtrans-60.2-36.6176.1-175.963.7000111.8L29 F147 A161 L162 K163L29-L159 HydrophobicContact CD1-CD1 4Å; L29-L159 HydrophobicContact CD1-CG 4.49Å; F147-L159 HydrophobicContact CD1-CB 4.19Å; F147-L159 HydrophobicContact CD1-CD1 3.92Å; F147-L159 HydrophobicContact CE1-CB 3.83Å; F147-L159 HydrophobicContact CE1-CD1 4.02Å; F147-L159 HydrophobicContact CE1-CG 4.42Å; F147-L159 HydrophobicContact CE2-CB 4.27Å; F147-L159 VanDerWaalsContact CE2-N 3.32Å; F147-L159 HydrophobicContact CZ-CB 3.87Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.38Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 3.17Å; L159-K163 HydrophobicContact CG-CG 4.39Å; L159-K163 WeakPolarHBondContact O-CB 3.4Å; L159-K163 WeakPolarHBondContact O-CG 3.42Å; L159-K163 PolarHBondContact O-N 3.18Å
160G88.8Confident87.6Confident51 Ų5172.6 Ų72.653%0.52639%0.391SS..Hα-helixtrans-61.5-40.917700000112.9S158 M164S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 2.78Å; G160-M164 WeakPolarHBondContact O-CB 3.32Å; G160-M164 PolarHBondContact O-N 3.47Å
161A87.5Confident87.6Confident36 Ų3667.5 Ų67.530%0.29837%0.372SS..Hα-helixtrans-68-41.4175.500000111.8Y156 S158 L159 M164 H165Y156-A161 HydrophobicContact CD1-CB 3.71Å; Y156-A161 HydrophobicContact CG-CB 4.35Å; S158-A161 PolarHBondContact O-N 2.85Å; S158-A161 VanDerWaalsContact OG-CB 3.26Å; S158-A161 WeakPolarHBondContact OG-CB 3.28Å; S158-A161 PolarHBondContact OG-N 3.41Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.38Å; A161-M164 PolarHBondContact O-N 2.87Å; A161-H165 WeakPolarHBondContact O-CB 3.17Å; A161-H165 PolarHBondContact O-N 3.15Å
162L89.1Confident87.4Confident12 Ų1263.4 Ų63.46%0.06335%0.354CS..Hα-helixtrans-60.8-48.2173.4174.962.4000111.5F147 F148 C149 Y156 S158 L159 M164 H165 I166F147-L162 HydrophobicContact CB-CB 4.05Å; F147-L162 HydrophobicContact CB-CD2 3.73Å; F147-L162 HydrophobicContact CB-CG 4.45Å; F148-L162 WeakPolarHBondContact O-CD2 3.26Å; C149-L162 HydrophobicContact CB-CD1 3.82Å; Y156-L162 HydrophobicContact CD2-CB 4.06Å; Y156-L162 HydrophobicContact CD2-CD1 3.75Å; Y156-L162 HydrophobicContact CE2-CD1 4.13Å; Y156-L162 HydrophobicContact CG-CB 4.15Å; S158-L162 PolarHBondContact O-N 3.32Å; S158-L162 VanDerWaalsContact O-N 3.12Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 3.17Å; L162-M164 VanDerWaalsContact C-N 3.31Å; L162-M164 PolarHBondContact O-N 3.32Å; L162-H165 CarbonylContact O-C 3.57Å; L162-H165 WeakPolarHBondContact O-CA 3.37Å; L162-H165 WeakPolarHBondContact O-CB 3.38Å; L162-H165 PolarHBondContact O-N 2.97Å; L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.03Å; L162-I166 HydrophobicContact CD2-CD1 4.41Å; L162-I166 HydrophobicContact CG-CD1 3.85Å; L162-I166 HydrophobicContact CG-CG1 4.36Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.2Å
163K87Confident87.2Confident92 Ų9262.1 Ų62.140%0.435%0.345SS..Hα-helixtrans-57.1-44.9177.2-73.4-171.1-153.6-152.20111.5L29 L159 H165 I166 R167L29-K163 HydrophobicContact CD1-CD 3.72Å; L29-K163 HydrophobicContact CD1-CG 3.63Å; L159-K163 HydrophobicContact CG-CG 4.39Å; L159-K163 WeakPolarHBondContact O-CB 3.4Å; L159-K163 WeakPolarHBondContact O-CG 3.42Å; L159-K163 PolarHBondContact O-N 3.18Å; K163-H165 VanDerWaalsContact C-N 3.3Å; K163-H165 PolarHBondContact O-N 2.75Å; K163-I166 PolarHBondContact O-N 3.23Å; K163-R167 WeakPolarHBondContact O-CG 3.33Å
164M86.4Confident87.1Confident99 Ų9959.5 Ų59.549%0.48833%0.326SS..Hα-helixtrans-63.5-39.2176.5-172.765.56200111.6G160 A161 L162 R167 R184G160-M164 WeakPolarHBondContact O-CB 3.32Å; G160-M164 PolarHBondContact O-N 3.47Å; A161-M164 PolarHBondContact O-N 2.87Å; L162-M164 VanDerWaalsContact C-N 3.31Å; L162-M164 PolarHBondContact O-N 3.32Å; M164-R167 WeakPolarHBondContact O-CB 3.29Å; M164-R167 PolarHBondContact O-N 3.32Å; M164-R184 HydrophobicContact SD-CG 4.46Å
165H88.4Confident87.1Confident20 Ų2053.9 Ų53.99%0.09330%0.302CS..Hα-helixtrans-66.6-42.6177.8168.362.5000112.6C149 C152 Y156 A161 L162 K163 R167 S168 H169C149-H165 PolarHBondContact SG-CD2 3.48Å; C149-H165 PolarHBondContact SG-NE2 2.8Å; C152-H165 PolarHBondContact SG-NE2 3.37Å; Y156-H165 HydrophobicContact CE1-CB 3.9Å; Y156-H165 HydrophobicContact CE2-CB 3.83Å; Y156-H165 AromaticContact CE2-CD2 3.42Å; Y156-H165 VanDerWaalsContact CE2-CD2 3.42Å; Y156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; Y156-H165 AromaticContact CE2-CG 3.6Å; Y156-H165 VanDerWaalsContact CZ-CB 3.42Å; Y156-H165 AromaticContact CZ-CD2 3.66Å; Y156-H165 AromaticContact CZ-CG 3.33Å; Y156-H165 AromaticContact CZ-ND1 3.92Å; Y156-H165 WeakPolarHBondContact OH-CB 3.45Å; Y156-H165 PolarHBondContact OH-CD2 2.97Å; Y156-H165 PolarHBondContact OH-ND1 3.11Å; A161-H165 WeakPolarHBondContact O-CB 3.17Å; A161-H165 PolarHBondContact O-N 3.15Å; L162-H165 CarbonylContact O-C 3.57Å; L162-H165 WeakPolarHBondContact O-CA 3.37Å; L162-H165 WeakPolarHBondContact O-CB 3.38Å; L162-H165 PolarHBondContact O-N 2.97Å; K163-H165 VanDerWaalsContact C-N 3.3Å; K163-H165 PolarHBondContact O-N 2.75Å; H165-R167 PolarHBondContact O-N 3.46Å; H165-R167 VanDerWaalsContact O-N 3.1Å; H165-S168 PolarHBondContact ND1-OG 3.14Å; H165-S168 VanDerWaalsContact O-CB 3.31Å; H165-S168 WeakPolarHBondContact O-CB 3.42Å; H165-S168 PolarHBondContact O-N 2.96Å; H165-S168 PolarHBondContact O-OG 3.45Å; H165-H169 AromaticContact CE1-NE2 3.32Å; H165-H169 PolarHBondContact CE1-NE2 2.9Å; H165-H169 VanDerWaalsContact CE1-NE2 3.32Å; H165-H169 AromaticContact NE2-CD2 3.67Å; H165-H169 AromaticContact NE2-NE2 3.03Å; H165-H169 PolarHBondContact NE2-NE2 3.44Å
166I87.4Confident86.8Confident30 Ų3052.7 Ų52.715%0.15431%0.305CS..Hα-helixtrans-56.4-32.2179.3-69.5165.1000111.4L162 K163 S168 H169 T170L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.03Å; L162-I166 HydrophobicContact CD2-CD1 4.41Å; L162-I166 HydrophobicContact CG-CD1 3.85Å; L162-I166 HydrophobicContact CG-CG1 4.36Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.2Å; K163-I166 PolarHBondContact O-N 3.23Å; I166-S168 PolarHBondContact O-N 3.43Å; I166-S168 VanDerWaalsContact O-N 3.12Å; I166-H169 WeakPolarHBondContact O-CB 3.45Å; I166-H169 PolarHBondContact O-N 3.15Å; I166-T170 HydrophobicContact CG2-CG2 4.31Å; I166-T170 PolarHBondContact O-N 3.39Å; I166-T170 VanDerWaalsContact O-N 3.16Å; I166-T170 PolarHBondContact O-OG1 3.39Å
167R87.1Confident86.6Confident43 Ų4355 Ų5516%0.16232%0.324CS..Hα-helixtrans-62.4-17.9175.2-58.2174.769.9101.14.1114.1K163 M164 H165 H169 L171 P172 C173 S183K163-R167 WeakPolarHBondContact O-CG 3.33Å; M164-R167 WeakPolarHBondContact O-CB 3.29Å; M164-R167 PolarHBondContact O-N 3.32Å; H165-R167 PolarHBondContact O-N 3.46Å; H165-R167 VanDerWaalsContact O-N 3.1Å; R167-H169 VanDerWaalsContact C-N 3.31Å; R167-L171 WeakPolarHBondContact O-CA 3.41Å; R167-L171 PolarHBondContact O-N 3.29Å; R167-P172 HydrophobicContact CB-CG 4.35Å; R167-P172 HydrophobicContact CG-CG 4.29Å; R167-C173 PolarHBondContact NH2-SG 2.85Å; R167-C173 VanDerWaalsContact NH2-SG 3.37Å; R167-S183 PolarHBondContact NE-O 3.39Å; R167-S183 PolarHBondContact NH2-O 3.47Å; R167-S183 WeakPolarHBondContact O-CA 3.45Å; R167-S183 VanDerWaalsContact O-CB 3.29Å; R167-S183 WeakPolarHBondContact O-CB 3.29Å
168S86.8Confident86.5Confident58 Ų5853 Ų5341%0.40631%0.314SS..Hα-helixtrans-74.6-23172.168.30000113H165 I166H165-S168 PolarHBondContact ND1-OG 3.14Å; H165-S168 VanDerWaalsContact O-CB 3.31Å; H165-S168 WeakPolarHBondContact O-CB 3.42Å; H165-S168 PolarHBondContact O-N 2.96Å; H165-S168 PolarHBondContact O-OG 3.45Å; I166-S168 PolarHBondContact O-N 3.43Å; I166-S168 VanDerWaalsContact O-N 3.12Å
169H86.2Confident86.3Confident75 Ų7553.1 Ų53.135%0.34732%0.323SS..Hα-helixtrans-88-39.9174.3-61.2-65.2000111.8H151 H165 I166 R167H151-H169 HydrophobicContact CB-CB 4.27Å; H165-H169 AromaticContact CE1-NE2 3.32Å; H165-H169 PolarHBondContact CE1-NE2 2.9Å; H165-H169 VanDerWaalsContact CE1-NE2 3.32Å; H165-H169 AromaticContact NE2-CD2 3.67Å; H165-H169 AromaticContact NE2-NE2 3.03Å; H165-H169 PolarHBondContact NE2-NE2 3.44Å; I166-H169 WeakPolarHBondContact O-CB 3.45Å; I166-H169 PolarHBondContact O-N 3.15Å; R167-H169 VanDerWaalsContact C-N 3.31Å
170T84.7Confident86.3Confident72 Ų7256 Ų5644%0.44233%0.333SS..Hα-helixtrans-92.4-19-174.6590000114.8I166I166-T170 HydrophobicContact CG2-CG2 4.31Å; I166-T170 PolarHBondContact O-N 3.39Å; I166-T170 VanDerWaalsContact O-N 3.16Å; I166-T170 PolarHBondContact O-OG1 3.39Å
171L88Confident86.3Confident66 Ų6655.7 Ų55.735%0.34633%0.325SS..  trans41.759.7179.9-57.7177.6000113.8R167 C173 A181 F182R167-L171 WeakPolarHBondContact O-CA 3.41Å; R167-L171 PolarHBondContact O-N 3.29Å; L171-C173 PolarHBondContact O-N 3.5Å; L171-A181 HydrophobicContact CB-CB 3.7Å; L171-A181 HydrophobicContact CD1-CB 4.14Å; L171-F182 CarbonylContact C-O 3.6Å; L171-F182 WeakPolarHBondContact CA-O 3.44Å
172P83.9Confident86.3Confident11 Ų1155.9 Ų55.97%0.07132%0.32CS..  trans-69.9-3-164.729.6-38.4000115.5Q24 R167Q24-P172 HydrophobicContact CB-CB 4.49Å; Q24-P172 PolarHBondContact N-O 2.83Å; Q24-P172 WeakPolarHBondContact O-CB 3.46Å; R167-P172 HydrophobicContact CB-CG 4.35Å; R167-P172 HydrophobicContact CG-CG 4.29Å
173C87.1Confident86.3Confident1 Ų156.7 Ų56.71%0.00733%0.326CS..EExtended strand (participates in β ladder)trans-110.7100.2-176.5-45.60000109.2C23 R167 L171 A181 F182 R184 L188C23-C173 HydrophobicContact CB-CB 4.12Å; C23-C173 WeakPolarHBondContact CB-SG 3.49Å; C23-C173 WeakPolarHBondContact SG-CB 3.24Å; C23-C173 CovalentContact SG-SG 2.04Å; C23-C173 PolarHBondContact SG-SG 3Å; R167-C173 PolarHBondContact NH2-SG 2.85Å; R167-C173 VanDerWaalsContact NH2-SG 3.37Å; L171-C173 PolarHBondContact O-N 3.5Å; C173-A181 CarbonylContact O-C 3.44Å; C173-F182 HydrophobicContact CB-CB 4.28Å; C173-F182 VanDerWaalsContact CB-O 3.31Å; C173-F182 WeakPolarHBondContact CB-O 3.45Å; C173-F182 PolarHBondContact N-O 3.29Å; C173-F182 PolarHBondContact O-N 3.22Å; C173-R184 VanDerWaalsContact SG-C 3.56Å; C173-L188 HydrophobicContact CB-CB 4.13Å; C173-L188 HydrophobicContact CB-CD2 3.76Å
174V85.8Confident86.1Confident77 Ų7757.3 Ų57.347%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-100139-176.8-176.40000111.2A181V174-A181 HydrophobicContact CG2-CB 4.13Å
175C86.6Confident86Confident1 Ų155 Ų551%0.00732%0.319CS..  trans-74.8123.1175.3-177.50000110.8T177 C178 G179 K180 F182 L188C175-T177 PolarHBondContact O-N 2.75Å; C175-C178 VanDerWaalsContact SG-SG 3.7Å; C175-G179 VanDerWaalsContact O-CA 3.24Å; C175-G179 WeakPolarHBondContact O-CA 3.41Å; C175-G179 PolarHBondContact O-N 3.48Å; C175-K180 HydrophobicContact CB-CB 4.39Å; C175-K180 WeakPolarHBondContact CB-O 3.33Å; C175-K180 PolarHBondContact N-O 3.11Å; C175-F182 HydrophobicContact CB-CE2 4.36Å; C175-L188 HydrophobicContact CB-CD1 3.74Å
176P81.7Confident85.8Confident103 Ų10359.1 Ų59.167%0.66933%0.333SS*.THydrogen-bonded Turntrans-69-24.4179.428.1-35000112.7
177T82.6Confident85.7Confident95 Ų9560.5 Ų60.558%0.58334%0.34SS*.THydrogen-bonded Turntrans-83-35.4-175.5-48.20000113C175 H195C175-T177 PolarHBondContact O-N 2.75Å; T177-H195 HydrophobicContact CG2-CB 4.4Å
178C86.9Confident85.7Confident55 Ų5558.6 Ų58.637%0.37233%0.334SS..THydrogen-bonded Turntrans-137.511.3-173.273.70000114.2C175 K180 H191 H195C175-C178 VanDerWaalsContact SG-SG 3.7Å; C178-K180 PolarHBondContact O-N 3.18Å; C178-K180 VanDerWaalsContact SG-CG 3.59Å; C178-H191 PolarHBondContact SG-NE2 3.28Å; C178-H195 PolarHBondContact SG-NE2 3.27Å; C178-H195 VanDerWaalsContact SG-NE2 3.41Å
179G84.1Confident85.6Confident53 Ų5360.5 Ų60.555%0.54633%0.332SS..  trans67.12.6176.400000116C175 A181C175-G179 VanDerWaalsContact O-CA 3.24Å; C175-G179 WeakPolarHBondContact O-CA 3.41Å; C175-G179 PolarHBondContact O-N 3.48Å; G179-A181 PolarHBondContact O-N 2.86Å
180K87.3Confident85.5Confident127 Ų12757.2 Ų57.255%0.55232%0.318SS*.  trans-68.9129.2-178.6-73.2-175.9-178.6-167.10111.1C175 C178 F182C175-K180 HydrophobicContact CB-CB 4.39Å; C175-K180 WeakPolarHBondContact CB-O 3.33Å; C175-K180 PolarHBondContact N-O 3.11Å; C178-K180 PolarHBondContact O-N 3.18Å; C178-K180 VanDerWaalsContact SG-CG 3.59Å; K180-F182 HydrophobicContact CB-CE2 3.85Å; K180-F182 HydrophobicContact CB-CZ 4.1Å; K180-F182 WeakPolarHBondContact O-CD2 3.37Å; K180-F182 VanDerWaalsContact O-CE2 3.29Å; K180-F182 WeakPolarHBondContact O-CE2 3.34Å
181A88.5Confident85.5Confident44 Ų4455 Ų5536%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-95.8144.5-178.100000112.6L171 C173 V174 G179L171-A181 HydrophobicContact CB-CB 3.7Å; L171-A181 HydrophobicContact CD1-CB 4.14Å; C173-A181 CarbonylContact O-C 3.44Å; V174-A181 HydrophobicContact CG2-CB 4.13Å; G179-A181 PolarHBondContact O-N 2.86Å
182F87.1Confident85.4Confident40 Ų4052.2 Ų52.218%0.17529%0.288CS..EExtended strand (participates in β ladder)trans-135.5147.4-176.9-60.9-88.5000111.1L171 C173 C175 K180 L187 L188 H191L171-F182 CarbonylContact C-O 3.6Å; L171-F182 WeakPolarHBondContact CA-O 3.44Å; C173-F182 HydrophobicContact CB-CB 4.28Å; C173-F182 VanDerWaalsContact CB-O 3.31Å; C173-F182 WeakPolarHBondContact CB-O 3.45Å; C173-F182 PolarHBondContact N-O 3.29Å; C173-F182 PolarHBondContact O-N 3.22Å; C175-F182 HydrophobicContact CB-CE2 4.36Å; K180-F182 HydrophobicContact CB-CE2 3.85Å; K180-F182 HydrophobicContact CB-CZ 4.1Å; K180-F182 WeakPolarHBondContact O-CD2 3.37Å; K180-F182 VanDerWaalsContact O-CE2 3.29Å; K180-F182 WeakPolarHBondContact O-CE2 3.34Å; F182-L187 HydrophobicContact CB-CB 4.19Å; F182-L187 HydrophobicContact CD1-CB 3.9Å; F182-L187 HydrophobicContact CG-CB 4.31Å; F182-L188 HydrophobicContact CB-CB 4.29Å; F182-L188 HydrophobicContact CD2-CB 3.99Å; F182-L188 HydrophobicContact CD2-CD1 3.78Å; F182-L188 HydrophobicContact CD2-CG 4.46Å; F182-L188 HydrophobicContact CE2-CD1 3.98Å; F182-L188 HydrophobicContact CG-CB 4.28Å; F182-H191 HydrophobicContact CE1-CB 3.97Å; F182-H191 HydrophobicContact CE2-CB 3.88Å; F182-H191 AromaticContact CE2-CD2 3.38Å; F182-H191 WeakPolarHBondContact CE2-CD2 3.41Å; F182-H191 AromaticContact CE2-CG 3.66Å; F182-H191 HydrophobicContact CZ-CB 3.42Å; F182-H191 VanDerWaalsContact CZ-CB 3.42Å; F182-H191 AromaticContact CZ-CD2 3.45Å; F182-H191 VanDerWaalsContact CZ-CD2 3.45Å; F182-H191 WeakPolarHBondContact CZ-CD2 3.27Å; F182-H191 AromaticContact CZ-CG 3.24Å; F182-H191 AromaticContact CZ-ND1 3.85Å
183S87.9Confident85.4Confident29 Ų2954.1 Ų54.120%0.20329%0.294CS..SBendtrans-74-26.4178.3570000113.3R167R167-S183 PolarHBondContact NE-O 3.39Å; R167-S183 PolarHBondContact NH2-O 3.47Å; R167-S183 WeakPolarHBondContact O-CA 3.45Å; R167-S183 VanDerWaalsContact O-CB 3.29Å; R167-S183 WeakPolarHBondContact O-CB 3.29Å
184R84.4Confident85.3Confident105 Ų10558.5 Ų58.540%0.39632%0.321SS..SBendtrans-133.2144.1-170.9-59175.675-174-0.5111.8M164 C173 W186 L187 L188M164-R184 HydrophobicContact SD-CG 4.46Å; C173-R184 VanDerWaalsContact SG-C 3.56Å; R184-W186 VanDerWaalsContact C-N 3.33Å; R184-W186 PolarHBondContact O-N 3.28Å; R184-L187 HydrophobicContact CB-CD1 4.02Å; R184-L187 HydrophobicContact CB-CG 4.25Å; R184-L187 HydrophobicContact CG-CD1 4.38Å; R184-L187 WeakPolarHBondContact O-CB 3.38Å; R184-L187 PolarHBondContact O-N 2.86Å; R184-L187 VanDerWaalsContact O-N 3.16Å; R184-L188 PolarHBondContact O-N 3.27Å
185P84.6Confident85.1Confident51 Ų5158.7 Ų58.733%0.33132%0.316SS..Hα-helixtrans-63.3-35.9-178.420.8-31.5000113.3C23 L187 L188 R189C23-P185 VanDerWaalsContact SG-CB 3.58Å; P185-L187 VanDerWaalsContact C-N 3.3Å; P185-L187 PolarHBondContact O-N 3.17Å; P185-L188 PolarHBondContact O-N 3.05Å; P185-R189 WeakPolarHBondContact O-CG 3.39Å; P185-R189 PolarHBondContact O-N 2.98Å
186W82.8Confident84.9Confident106 Ų10661.5 Ų61.540%0.40233%0.333SS..Hα-helixtrans-68.7-29.3178.872.2-89.7000112.8R184 G190R184-W186 VanDerWaalsContact C-N 3.33Å; R184-W186 PolarHBondContact O-N 3.28Å; W186-G190 PolarHBondContact O-N 2.96Å
187L86.1Confident85Confident58 Ų5859.1 Ų59.130%0.30433%0.328SS..Hα-helixtrans-67.8-45.8173.4-71.2169.9000110.2F182 R184 P185 R189 G190 H191F182-L187 HydrophobicContact CB-CB 4.19Å; F182-L187 HydrophobicContact CD1-CB 3.9Å; F182-L187 HydrophobicContact CG-CB 4.31Å; R184-L187 HydrophobicContact CB-CD1 4.02Å; R184-L187 HydrophobicContact CB-CG 4.25Å; R184-L187 HydrophobicContact CG-CD1 4.38Å; R184-L187 WeakPolarHBondContact O-CB 3.38Å; R184-L187 PolarHBondContact O-N 2.86Å; R184-L187 VanDerWaalsContact O-N 3.16Å; P185-L187 VanDerWaalsContact C-N 3.3Å; P185-L187 PolarHBondContact O-N 3.17Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.8Å; L187-G190 PolarHBondContact O-N 2.99Å; L187-H191 WeakPolarHBondContact O-CB 3.45Å; L187-H191 PolarHBondContact O-N 3.26Å
188L86.3Confident84.9Confident3 Ų358.7 Ų58.72%0.01632%0.319CS..Hα-helixtrans-60.3-43.7174.7174.657.4000111.6L21 C173 C175 F182 R184 P185 H191 I192L21-L188 HydrophobicContact CD2-CD2 3.66Å; L21-L188 HydrophobicContact CD2-CG 4.16Å; C173-L188 HydrophobicContact CB-CB 4.13Å; C173-L188 HydrophobicContact CB-CD2 3.76Å; C175-L188 HydrophobicContact CB-CD1 3.74Å; F182-L188 HydrophobicContact CB-CB 4.29Å; F182-L188 HydrophobicContact CD2-CB 3.99Å; F182-L188 HydrophobicContact CD2-CD1 3.78Å; F182-L188 HydrophobicContact CD2-CG 4.46Å; F182-L188 HydrophobicContact CE2-CD1 3.98Å; F182-L188 HydrophobicContact CG-CB 4.28Å; R184-L188 PolarHBondContact O-N 3.27Å; P185-L188 PolarHBondContact O-N 3.05Å; L188-H191 WeakPolarHBondContact O-CB 3.38Å; L188-H191 PolarHBondContact O-N 2.81Å; L188-I192 HydrophobicContact CD1-CD1 3.95Å; L188-I192 HydrophobicContact CD1-CG1 4.09Å; L188-I192 HydrophobicContact CG-CD1 4Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 2.95Å
189R84.1Confident84.7Confident99 Ų9962.8 Ų62.837%0.37433%0.327SS..Hα-helixtrans-62-43.9175.9-74.9-173.5-68.7-152.21.1112.8P185 L187 H191 I192 R193P185-R189 WeakPolarHBondContact O-CG 3.39Å; P185-R189 PolarHBondContact O-N 2.98Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.8Å; R189-H191 VanDerWaalsContact C-N 3.31Å; R189-I192 PolarHBondContact O-N 3.05Å; R189-R193 PolarHBondContact O-N 3.34Å
190G84.1Confident84.7Confident5 Ų563.9 Ų63.95%0.05232%0.324CS..Hα-helixtrans-62.1-40.4174.100000111.9W186 L187 R193W186-G190 PolarHBondContact O-N 2.96Å; L187-G190 PolarHBondContact O-N 2.99Å; G190-R193 WeakPolarHBondContact O-CB 3.49Å; G190-R193 PolarHBondContact O-N 3.27Å
191H86.4Confident84.6Confident27 Ų2759.9 Ų59.913%0.12531%0.307CS..Hα-helixtrans-64.1-42.4175.1173.460.1000112.8C178 F182 L187 L188 R189 R193 T194 H195C178-H191 PolarHBondContact SG-NE2 3.28Å; F182-H191 HydrophobicContact CE1-CB 3.97Å; F182-H191 HydrophobicContact CE2-CB 3.88Å; F182-H191 AromaticContact CE2-CD2 3.38Å; F182-H191 WeakPolarHBondContact CE2-CD2 3.41Å; F182-H191 AromaticContact CE2-CG 3.66Å; F182-H191 HydrophobicContact CZ-CB 3.42Å; F182-H191 VanDerWaalsContact CZ-CB 3.42Å; F182-H191 AromaticContact CZ-CD2 3.45Å; F182-H191 VanDerWaalsContact CZ-CD2 3.45Å; F182-H191 WeakPolarHBondContact CZ-CD2 3.27Å; F182-H191 AromaticContact CZ-CG 3.24Å; F182-H191 AromaticContact CZ-ND1 3.85Å; L187-H191 WeakPolarHBondContact O-CB 3.45Å; L187-H191 PolarHBondContact O-N 3.26Å; L188-H191 WeakPolarHBondContact O-CB 3.38Å; L188-H191 PolarHBondContact O-N 2.81Å; R189-H191 VanDerWaalsContact C-N 3.31Å; H191-R193 PolarHBondContact O-N 3.43Å; H191-R193 VanDerWaalsContact O-N 3.17Å; H191-T194 WeakPolarHBondContact O-CB 3.45Å; H191-T194 PolarHBondContact O-N 2.8Å; H191-T194 PolarHBondContact O-OG1 3.24Å; H191-H195 AromaticContact CE1-NE2 3.56Å; H191-H195 AromaticContact NE2-CD2 3.94Å; H191-H195 AromaticContact NE2-NE2 3.17Å; H191-H195 PolarHBondContact NE2-NE2 3Å; H191-H195 VanDerWaalsContact NE2-NE2 3.17Å
192I84.2Confident84.5Confident7 Ų760.5 Ų60.54%0.03631%0.309CS..Hα-helixtrans-59.7-31.5178.8-71.8165.9000111.7P16 Y18 L21 L188 R189 T194 H195 T196P16-I192 HydrophobicContact CG-CG2 4.33Å; Y18-I192 HydrophobicContact CE1-CG2 4.05Å; L21-I192 HydrophobicContact CD1-CD1 3.42Å; L21-I192 VanDerWaalsContact CD1-CD1 3.42Å; L21-I192 HydrophobicContact CD2-CD1 3.56Å; L21-I192 HydrophobicContact CG-CD1 4.15Å; L188-I192 HydrophobicContact CD1-CD1 3.95Å; L188-I192 HydrophobicContact CD1-CG1 4.09Å; L188-I192 HydrophobicContact CG-CD1 4Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 2.95Å; R189-I192 PolarHBondContact O-N 3.05Å; I192-T194 PolarHBondContact O-N 2.9Å; I192-T194 VanDerWaalsContact O-N 3.15Å; I192-H195 WeakPolarHBondContact O-CB 3.4Å; I192-H195 PolarHBondContact O-N 3.16Å; I192-T196 HydrophobicContact CG2-CG2 4.35Å; I192-T196 PolarHBondContact O-N 2.88Å; I192-T196 VanDerWaalsContact O-N 3.16Å
193R85.4Confident84.6Confident51 Ų5158.6 Ų58.619%0.19230%0.301CS..Hα-helixtrans-61.5-21173.6-63.4-178.6-167.4116.210.4113.6R189 G190 H191 H195 T196 G197 E198 A211 D212R189-R193 PolarHBondContact O-N 3.34Å; G190-R193 WeakPolarHBondContact O-CB 3.49Å; G190-R193 PolarHBondContact O-N 3.27Å; H191-R193 PolarHBondContact O-N 3.43Å; H191-R193 VanDerWaalsContact O-N 3.17Å; R193-H195 VanDerWaalsContact C-N 3.3Å; R193-T196 WeakPolarHBondContact CA-OG1 3.48Å; R193-G197 WeakPolarHBondContact O-CA 3.4Å; R193-G197 PolarHBondContact O-N 3.16Å; R193-E198 HydrophobicContact CG-CB 4.46Å; R193-E198 PolarHBondContact O-N 3.34Å; R193-A211 HydrophobicContact CB-CB 4.11Å; R193-A211 VanDerWaalsContact CD-O 3.27Å; R193-A211 WeakPolarHBondContact CD-O 3.36Å; R193-A211 PolarHBondContact NH1-O 3.35Å; R193-D212 IonicContact NH1-OD1 3.15Å; R193-D212 PolarHBondContact NH1-OD1 3.45Å; R193-D212 VanDerWaalsContact NH1-OD1 3.15Å
194T84.4Confident84.5Confident93 Ų9364.5 Ų64.557%0.57133%0.325SS*.Hα-helixtrans-73.3-25.1173.573.20000112.5H191 I192H191-T194 WeakPolarHBondContact O-CB 3.45Å; H191-T194 PolarHBondContact O-N 2.8Å; H191-T194 PolarHBondContact O-OG1 3.24Å; I192-T194 PolarHBondContact O-N 2.9Å; I192-T194 VanDerWaalsContact O-N 3.15Å
195H82.2Confident84.5Confident80 Ų8066.2 Ų66.237%0.3734%0.337SS..Hα-helixtrans-82.8-38.3174.2-62.9-56000111.7T177 C178 H191 I192 R193T177-H195 HydrophobicContact CG2-CB 4.4Å; C178-H195 PolarHBondContact SG-NE2 3.27Å; C178-H195 VanDerWaalsContact SG-NE2 3.41Å; H191-H195 AromaticContact CE1-NE2 3.56Å; H191-H195 AromaticContact NE2-CD2 3.94Å; H191-H195 AromaticContact NE2-NE2 3.17Å; H191-H195 PolarHBondContact NE2-NE2 3Å; H191-H195 VanDerWaalsContact NE2-NE2 3.17Å; I192-H195 WeakPolarHBondContact O-CB 3.4Å; I192-H195 PolarHBondContact O-N 3.16Å; R193-H195 VanDerWaalsContact C-N 3.3Å
196T82.4Confident84.7Confident60 Ų6066.5 Ų66.537%0.36834%0.34SS..Hα-helixtrans-84.4-18.1-179.162.50000113.6P16 I192 R193 E198P16-T196 HydrophobicContact CG-CG2 4.25Å; I192-T196 HydrophobicContact CG2-CG2 4.35Å; I192-T196 PolarHBondContact O-N 2.88Å; I192-T196 VanDerWaalsContact O-N 3.16Å; R193-T196 WeakPolarHBondContact CA-OG1 3.48Å; T196-E198 PolarHBondContact O-N 3.42Å; T196-E198 WeakPolarHBondContact OG1-CG 3.47Å; T196-E198 PolarHBondContact OG1-N 2.56Å
197G82.3Confident84.8Confident54 Ų5467.6 Ų67.656%0.55735%0.353SS*.  trans729.1-174.800000114R193 R199R193-G197 WeakPolarHBondContact O-CA 3.4Å; R193-G197 PolarHBondContact O-N 3.16Å; G197-R199 PolarHBondContact O-N 3.3Å
198E81.9Confident84.7Confident86 Ų8672 Ų7240%0.40237%0.366SS..  trans-67.8125179.7-72.7-177.9177.200111.5Y18 R193 T196 P200Y18-E198 PolarHBondContact OH-OE2 3.33Å; R193-E198 HydrophobicContact CG-CB 4.46Å; R193-E198 PolarHBondContact O-N 3.34Å; T196-E198 PolarHBondContact O-N 3.42Å; T196-E198 WeakPolarHBondContact OG1-CG 3.47Å; T196-E198 PolarHBondContact OG1-N 2.56Å; E198-P200 WeakPolarHBondContact O-CD 3.49Å
199R83.1Confident84.8Confident141 Ų14173.2 Ų73.253%0.53238%0.376SS..  trans-124.474.4-180-62.217386150.64.3110.2G197 F201 A209 F210G197-R199 PolarHBondContact O-N 3.3Å; R199-F201 PolarHBondContact O-N 3.04Å; R199-A209 HydrophobicContact CB-CB 3.49Å; R199-A209 VanDerWaalsContact CB-CB 3.49Å; R199-A209 HydrophobicContact CG-CB 4.47Å; R199-A209 PolarHBondContact NE-O 2.85Å; R199-A209 PolarHBondContact NH2-O 3.1Å; R199-F210 CarbonylContact C-O 3.56Å; R199-F210 WeakPolarHBondContact CA-O 3.12Å
200P82.9Confident84.7Confident76 Ų7669.7 Ų69.749%0.49436%0.364SS..  trans-71.1-10.4-171.327.9-34.9000114.3E198E198-P200 WeakPolarHBondContact O-CD 3.49Å
201F84.6Confident84.6Confident42 Ų4270.5 Ų70.518%0.18437%0.37CS..EExtended strand (participates in β ladder)trans-11098.4-175.6-54.7-63.4000110.6R199 A209 F210 A211 D212 R213 L216R199-F201 PolarHBondContact O-N 3.04Å; F201-A209 CarbonylContact O-C 3.33Å; F201-A209 WeakPolarHBondContact O-CA 3.44Å; F201-F210 HydrophobicContact CB-CB 4.39Å; F201-F210 PolarHBondContact N-O 2.92Å; F201-F210 VanDerWaalsContact N-O 3.11Å; F201-F210 PolarHBondContact O-N 3.45Å; F201-A211 WeakPolarHBondContact CE2-O 3.29Å; F201-D212 VanDerWaalsContact CD2-C 3.49Å; F201-R213 HydrophobicContact CD1-CG 3.66Å; F201-R213 HydrophobicContact CD2-CG 4.09Å; F201-R213 HydrophobicContact CE1-CG 3.38Å; F201-R213 VanDerWaalsContact CE1-NE 3.32Å; F201-R213 HydrophobicContact CE2-CG 3.81Å; F201-R213 HydrophobicContact CG-CG 4.02Å; F201-R213 HydrophobicContact CZ-CG 3.46Å; F201-R213 VanDerWaalsContact CZ-CG 3.46Å; F201-L216 HydrophobicContact CB-CB 4.26Å; F201-L216 HydrophobicContact CB-CD2 3.91Å
202S87.1Confident84.4Confident57 Ų5771.3 Ų71.340%0.39938%0.375SS..EExtended strand (participates in β ladder)trans-90.8145.8175.651.10000112.6R208S202-R208 CarbonylContact C-O 3.21Å; S202-R208 WeakPolarHBondContact CA-O 3.44Å
203C89.2Confident84.4Confident1 Ų179.8 Ų79.81%0.00741%0.407CS..  trans-80.8128.3166.5-178.50000109.6H205 N207 R208 F210 L216 H219C203-H205 VanDerWaalsContact C-N 3.3Å; C203-H205 PolarHBondContact O-N 3.06Å; C203-H205 PolarHBondContact SG-N 3.42Å; C203-H205 VanDerWaalsContact SG-N 3.39Å; C203-N207 WeakPolarHBondContact O-CA 3.3Å; C203-N207 PolarHBondContact O-N 3.38Å; C203-R208 PolarHBondContact N-O 3.46Å; C203-F210 HydrophobicContact CB-CE2 4.44Å; C203-L216 HydrophobicContact CB-CD1 3.96Å; C203-H219 WeakPolarHBondContact CB-NE2 3.21Å; C203-H219 PolarHBondContact SG-NE2 2.04Å
204Q86.3Confident84.4Confident153 Ų15381.2 Ų81.272%0.71542%0.424SS*.THydrogen-bonded Turntrans-73.1-21.5177.4-62.9-64.7-12.900113.2
205H84.9Confident84.4Confident140 Ų14080.9 Ų80.965%0.64842%0.419SS*.THydrogen-bonded Turntrans-83.8-33-178.3-60.8-66000113.6C203C203-H205 VanDerWaalsContact C-N 3.3Å; C203-H205 PolarHBondContact O-N 3.06Å; C203-H205 PolarHBondContact SG-N 3.42Å; C203-H205 VanDerWaalsContact SG-N 3.39Å
206C87.5Confident84.6Confident57 Ų5778.4 Ų78.439%0.38541%0.409SS..THydrogen-bonded Turntrans-132.710.2-176.8670000114.1R208 H219 H223C206-R208 PolarHBondContact O-N 2.84Å; C206-R208 VanDerWaalsContact SG-CB 3.59Å; C206-H219 VanDerWaalsContact SG-CE1 3.53Å; C206-H219 PolarHBondContact SG-NE2 3.22Å; C206-H223 PolarHBondContact SG-NE2 3.37Å
207N84.8Confident84.8Confident129 Ų12984.4 Ų84.469%0.6942%0.424SS*.  trans55.111.5-178.6-66.8-48.3000115.7C203 A209C203-N207 WeakPolarHBondContact O-CA 3.3Å; C203-N207 PolarHBondContact O-N 3.38Å; N207-A209 PolarHBondContact O-N 3.12Å
208R85.4Confident84.9Confident152 Ų15283.3 Ų83.357%0.57441%0.41SS*.  trans-71.6126.6178.9-166.2168.7-176.7164.52.2110.6S202 C203 C206 F210S202-R208 CarbonylContact C-O 3.21Å; S202-R208 WeakPolarHBondContact CA-O 3.44Å; C203-R208 PolarHBondContact N-O 3.46Å; C206-R208 PolarHBondContact O-N 2.84Å; C206-R208 VanDerWaalsContact SG-CB 3.59Å; R208-F210 HydrophobicContact CB-CE2 4.07Å; R208-F210 HydrophobicContact CB-CZ 4.3Å; R208-F210 HydrophobicContact CG-CE2 4.05Å; R208-F210 HydrophobicContact CG-CZ 3.9Å; R208-F210 WeakPolarHBondContact O-CD2 3.31Å; R208-F210 VanDerWaalsContact O-CE2 3.26Å; R208-F210 WeakPolarHBondContact O-CE2 3.49Å
209A86.9Confident85.1Confident28 Ų2880.4 Ų80.423%0.23140%0.396CS..EExtended strand (participates in β ladder)trans-93.2149.2-178.800000112.8R199 F201 N207R199-A209 HydrophobicContact CB-CB 3.49Å; R199-A209 VanDerWaalsContact CB-CB 3.49Å; R199-A209 HydrophobicContact CG-CB 4.47Å; R199-A209 PolarHBondContact NE-O 2.85Å; R199-A209 PolarHBondContact NH2-O 3.1Å; F201-A209 CarbonylContact O-C 3.33Å; F201-A209 WeakPolarHBondContact O-CA 3.44Å; N207-A209 PolarHBondContact O-N 3.12Å
210F82.9Confident85.3Confident25 Ų2576.9 Ų76.911%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-135146.3-178.5-60.8-90.1000110.8R199 F201 C203 R208 D212 N215 L216 H219R199-F210 CarbonylContact C-O 3.56Å; R199-F210 WeakPolarHBondContact CA-O 3.12Å; F201-F210 HydrophobicContact CB-CB 4.39Å; F201-F210 PolarHBondContact N-O 2.92Å; F201-F210 VanDerWaalsContact N-O 3.11Å; F201-F210 PolarHBondContact O-N 3.45Å; C203-F210 HydrophobicContact CB-CE2 4.44Å; R208-F210 HydrophobicContact CB-CE2 4.07Å; R208-F210 HydrophobicContact CB-CZ 4.3Å; R208-F210 HydrophobicContact CG-CE2 4.05Å; R208-F210 HydrophobicContact CG-CZ 3.9Å; R208-F210 WeakPolarHBondContact O-CD2 3.31Å; R208-F210 VanDerWaalsContact O-CE2 3.26Å; R208-F210 WeakPolarHBondContact O-CE2 3.49Å; F210-D212 VanDerWaalsContact C-N 3.34Å; F210-N215 HydrophobicContact CB-CB 4.47Å; F210-N215 HydrophobicContact CD1-CB 3.98Å; F210-L216 HydrophobicContact CB-CB 4.35Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.76Å; F210-L216 HydrophobicContact CE2-CD1 3.98Å; F210-L216 HydrophobicContact CG-CB 4.33Å; F210-H219 HydrophobicContact CE1-CB 3.98Å; F210-H219 HydrophobicContact CE2-CB 4.04Å; F210-H219 AromaticContact CE2-CD2 3.28Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.42Å; F210-H219 AromaticContact CE2-CG 3.73Å; F210-H219 AromaticContact CE2-NE2 3.93Å; F210-H219 HydrophobicContact CZ-CB 3.49Å; F210-H219 VanDerWaalsContact CZ-CB 3.49Å; F210-H219 AromaticContact CZ-CD2 3.34Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.4Å; F210-H219 AromaticContact CZ-CG 3.29Å; F210-H219 AromaticContact CZ-ND1 3.94Å; F210-H219 AromaticContact CZ-NE2 3.95Å
211A81.3Confident85.3Confident22 Ų2275.9 Ų75.918%0.18238%0.376CS..SBendtrans-75.1-24.2176.400000112.9R193 F201R193-A211 HydrophobicContact CB-CB 4.11Å; R193-A211 VanDerWaalsContact CD-O 3.27Å; R193-A211 WeakPolarHBondContact CD-O 3.36Å; R193-A211 PolarHBondContact NH1-O 3.35Å; F201-A211 WeakPolarHBondContact CE2-O 3.29Å
212D82.3Confident85.1Confident43 Ų4377.5 Ų77.523%0.2339%0.39CS..SBendtrans-133.6142.9-175.2-73.3-32.6000113R193 F201 F210 S214 N215 L216R193-D212 IonicContact NH1-OD1 3.15Å; R193-D212 PolarHBondContact NH1-OD1 3.45Å; R193-D212 VanDerWaalsContact NH1-OD1 3.15Å; F201-D212 VanDerWaalsContact CD2-C 3.49Å; F210-D212 VanDerWaalsContact C-N 3.34Å; D212-S214 VanDerWaalsContact C-N 3.31Å; D212-S214 PolarHBondContact O-N 3.44Å; D212-N215 PolarHBondContact O-N 3.32Å; D212-L216 PolarHBondContact O-N 3.03Å; D212-L216 VanDerWaalsContact O-N 3.15Å
213R84.9Confident84.9Confident186 Ų18678.6 Ų78.670%0.70239%0.388SS*.Hα-helixtrans-60.8-36.6177.3-70.5-173.2177.2150.2-1.2113.3F201 N215 L216 R217F201-R213 HydrophobicContact CD1-CG 3.66Å; F201-R213 HydrophobicContact CD2-CG 4.09Å; F201-R213 HydrophobicContact CE1-CG 3.38Å; F201-R213 VanDerWaalsContact CE1-NE 3.32Å; F201-R213 HydrophobicContact CE2-CG 3.81Å; F201-R213 HydrophobicContact CG-CG 4.02Å; F201-R213 HydrophobicContact CZ-CG 3.46Å; F201-R213 VanDerWaalsContact CZ-CG 3.46Å; R213-N215 VanDerWaalsContact C-N 3.27Å; R213-N215 PolarHBondContact O-N 3.23Å; R213-L216 PolarHBondContact O-N 3.02Å; R213-R217 PolarHBondContact O-N 3.45Å
214S84.4Confident84Confident80 Ų8081.5 Ų81.556%0.55941%0.413SS*.Hα-helixtrans-61.8-39.1178.8-580000111.3D212 R217 A218D212-S214 VanDerWaalsContact C-N 3.31Å; D212-S214 PolarHBondContact O-N 3.44Å; S214-R217 PolarHBondContact O-N 2.61Å; S214-A218 WeakPolarHBondContact O-CB 3.46Å; S214-A218 PolarHBondContact O-N 3.06Å
215N84.4Confident83.1Confident86 Ų8682.1 Ų82.146%0.4642%0.416SS..Hα-helixtrans-71.2-40.9177.9-66.8-8.3000111.2F210 D212 R213 R217 A218 H219F210-N215 HydrophobicContact CB-CB 4.47Å; F210-N215 HydrophobicContact CD1-CB 3.98Å; D212-N215 PolarHBondContact O-N 3.32Å; R213-N215 VanDerWaalsContact C-N 3.27Å; R213-N215 PolarHBondContact O-N 3.23Å; N215-R217 PolarHBondContact O-N 3.39Å; N215-A218 PolarHBondContact O-N 2.85Å; N215-H219 WeakPolarHBondContact O-CB 3.1Å; N215-H219 PolarHBondContact O-N 3.47Å
216L87.6Confident82.3Confident29 Ų2978.6 Ų78.615%0.15240%0.404CS..Hα-helixtrans-58.4-47.7171.6175.563.5000111F201 C203 F210 D212 R213 A218 H219 L220F201-L216 HydrophobicContact CB-CB 4.26Å; F201-L216 HydrophobicContact CB-CD2 3.91Å; C203-L216 HydrophobicContact CB-CD1 3.96Å; F210-L216 HydrophobicContact CB-CB 4.35Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.76Å; F210-L216 HydrophobicContact CE2-CD1 3.98Å; F210-L216 HydrophobicContact CG-CB 4.33Å; D212-L216 PolarHBondContact O-N 3.03Å; D212-L216 VanDerWaalsContact O-N 3.15Å; R213-L216 PolarHBondContact O-N 3.02Å; L216-A218 PolarHBondContact O-N 3.44Å; L216-H219 CarbonylContact O-C 3.57Å; L216-H219 WeakPolarHBondContact O-CB 3.07Å; L216-H219 PolarHBondContact O-N 3.01Å; L216-H219 VanDerWaalsContact O-N 3.14Å; L216-L220 HydrophobicContact CD1-CG 4.25Å; L216-L220 HydrophobicContact CG-CD1 4.26Å; L216-L220 HydrophobicContact CG-CG 4.42Å; L216-L220 WeakPolarHBondContact O-CG 3.27Å; L216-L220 PolarHBondContact O-N 3.12Å
217R86.8Confident81.5Confident186 Ų18682 Ų8270%0.70241%0.412SS*.Hα-helixtrans-60.9-44.4178.9-179.5180-74.8163.3-4.5112.2R213 S214 N215 H219 L220 Q221R213-R217 PolarHBondContact O-N 3.45Å; S214-R217 PolarHBondContact O-N 2.61Å; N215-R217 PolarHBondContact O-N 3.39Å; R217-H219 VanDerWaalsContact C-N 3.26Å; R217-H219 PolarHBondContact O-N 3.37Å; R217-L220 PolarHBondContact O-N 3.28Å; R217-Q221 PolarHBondContact O-N 2.84Å
218A84.1Confident81.1Confident30 Ų3082.8 Ų82.825%0.24841%0.41CS..Hα-helixtrans-63.3-35.4176.300000111.8S214 N215 L216 Q221S214-A218 WeakPolarHBondContact O-CB 3.46Å; S214-A218 PolarHBondContact O-N 3.06Å; N215-A218 PolarHBondContact O-N 2.85Å; L216-A218 PolarHBondContact O-N 3.44Å; A218-Q221 WeakPolarHBondContact O-CB 3.41Å
219H86.5Confident80.9Confident26 Ų2679.5 Ų79.512%0.1240%0.398CS..Hα-helixtrans-70.2-39.6173.5166.762.4000112.5C203 C206 F210 N215 L216 R217 Q221 T222 H223C203-H219 WeakPolarHBondContact CB-NE2 3.21Å; C203-H219 PolarHBondContact SG-NE2 2.04Å; C206-H219 VanDerWaalsContact SG-CE1 3.53Å; C206-H219 PolarHBondContact SG-NE2 3.22Å; F210-H219 HydrophobicContact CE1-CB 3.98Å; F210-H219 HydrophobicContact CE2-CB 4.04Å; F210-H219 AromaticContact CE2-CD2 3.28Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.42Å; F210-H219 AromaticContact CE2-CG 3.73Å; F210-H219 AromaticContact CE2-NE2 3.93Å; F210-H219 HydrophobicContact CZ-CB 3.49Å; F210-H219 VanDerWaalsContact CZ-CB 3.49Å; F210-H219 AromaticContact CZ-CD2 3.34Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.4Å; F210-H219 AromaticContact CZ-CG 3.29Å; F210-H219 AromaticContact CZ-ND1 3.94Å; F210-H219 AromaticContact CZ-NE2 3.95Å; N215-H219 WeakPolarHBondContact O-CB 3.1Å; N215-H219 PolarHBondContact O-N 3.47Å; L216-H219 CarbonylContact O-C 3.57Å; L216-H219 WeakPolarHBondContact O-CB 3.07Å; L216-H219 PolarHBondContact O-N 3.01Å; L216-H219 VanDerWaalsContact O-N 3.14Å; R217-H219 VanDerWaalsContact C-N 3.26Å; R217-H219 PolarHBondContact O-N 3.37Å; H219-Q221 PolarHBondContact O-N 3.36Å; H219-Q221 VanDerWaalsContact O-N 3.11Å; H219-T222 WeakPolarHBondContact O-CB 3.48Å; H219-T222 PolarHBondContact O-N 2.86Å; H219-T222 PolarHBondContact O-OG1 3.41Å; H219-H223 AromaticContact CE1-CD2 3.96Å; H219-H223 AromaticContact CE1-NE2 3.36Å; H219-H223 PolarHBondContact CE1-NE2 3.06Å; H219-H223 AromaticContact NE2-CD2 3.86Å; H219-H223 AromaticContact NE2-NE2 3.31Å; H219-H223 PolarHBondContact NE2-NE2 2.89Å
220L85.7Confident80.7Confident67 Ų6783.8 Ų83.835%0.35141%0.413SS..Hα-helixtrans-59.6-26.5176.6-69.7172.8000112.9L216 R217 T222 H223 A224L216-L220 HydrophobicContact CD1-CG 4.25Å; L216-L220 HydrophobicContact CG-CD1 4.26Å; L216-L220 HydrophobicContact CG-CG 4.42Å; L216-L220 WeakPolarHBondContact O-CG 3.27Å; L216-L220 PolarHBondContact O-N 3.12Å; R217-L220 PolarHBondContact O-N 3.28Å; L220-T222 PolarHBondContact O-N 2.96Å; L220-H223 PolarHBondContact O-N 2.92Å; L220-H223 VanDerWaalsContact O-N 3.16Å; L220-A224 PolarHBondContact O-N 2.83Å
221Q83.5Confident80.8Confident54 Ų5482.9 Ų82.925%0.25241%0.41SS..Hα-helixtrans-65.1-20.6172.7-65174.4-18.200113.5R217 A218 H219 S239R217-Q221 PolarHBondContact O-N 2.84Å; A218-Q221 WeakPolarHBondContact O-CB 3.41Å; H219-Q221 PolarHBondContact O-N 3.36Å; H219-Q221 VanDerWaalsContact O-N 3.11Å; Q221-S239 PolarHBondContact OE1-O 3.13Å
222T81.4Confident80.8Confident77 Ų7785.9 Ų85.947%0.47244%0.442SS..Hα-helixtrans-76.7-27.2174.771.20000112.1H219 L220H219-T222 WeakPolarHBondContact O-CB 3.48Å; H219-T222 PolarHBondContact O-N 2.86Å; H219-T222 PolarHBondContact O-OG1 3.41Å; L220-T222 PolarHBondContact O-N 2.96Å
223H81.6Confident80.8Confident79 Ų7988.9 Ų88.937%0.36646%0.462SS..Hα-helixtrans-78.5-32.5174.5-70.6-65000112.4C206 H219 L220 E225C206-H223 PolarHBondContact SG-NE2 3.37Å; H219-H223 AromaticContact CE1-CD2 3.96Å; H219-H223 AromaticContact CE1-NE2 3.36Å; H219-H223 PolarHBondContact CE1-NE2 3.06Å; H219-H223 AromaticContact NE2-CD2 3.86Å; H219-H223 AromaticContact NE2-NE2 3.31Å; H219-H223 PolarHBondContact NE2-NE2 2.89Å; L220-H223 PolarHBondContact O-N 2.92Å; L220-H223 VanDerWaalsContact O-N 3.16Å; H223-E225 VanDerWaalsContact C-N 3.31Å; H223-E225 PolarHBondContact O-N 3.12Å
224A71.9Confident80.8Confident63 Ų6382.3 Ų82.352%0.52144%0.444SS..SBendtrans-85.60.1-176.600000114L220 V226L220-A224 PolarHBondContact O-N 2.83Å; A224-V226 HydrophobicContact CB-CG2 3.76Å; A224-V226 WeakPolarHBondContact O-CG2 3.45Å; A224-V226 PolarHBondContact O-N 3.46Å
225E66.7Low80.6Confident165 Ų16582.2 Ų82.277%0.77144%0.443SS*.  trans47.714.4-174.3-58.9-162.8155.700116.4H223 K227H223-E225 VanDerWaalsContact C-N 3.31Å; H223-E225 PolarHBondContact O-N 3.12Å; E225-K227 PolarHBondContact O-N 3.06Å
226V68.2Low80.4Confident67 Ų6785.9 Ų85.941%0.40645%0.451SS..  trans-7790.6-173.9-162.10000110.2A224 K228A224-V226 HydrophobicContact CB-CG2 3.76Å; A224-V226 WeakPolarHBondContact O-CG2 3.45Å; A224-V226 PolarHBondContact O-N 3.46Å; V226-K228 HydrophobicContact CB-CG 4.45Å; V226-K228 HydrophobicContact CG1-CD 4.16Å; V226-K228 HydrophobicContact CG1-CG 3.59Å; V226-K228 PolarHBondContact O-N 3.45Å; V226-K228 VanDerWaalsContact O-N 3.17Å
227K70.1Confident80.2Confident129 Ų12987.4 Ų87.456%0.56146%0.461SS*.  trans-82.286.3174.1-62.9176.5-175.5170.20110.2E225 T237 F238E225-K227 PolarHBondContact O-N 3.06Å; K227-T237 WeakPolarHBondContact CD-OG1 3.46Å; K227-F238 CarbonylContact C-O 3.51Å; K227-F238 WeakPolarHBondContact CA-O 3.36Å
228K76.3Confident79.9Confident145 Ų14580.4 Ų80.463%0.6344%0.436SS*.  trans-80-18.5-175.5-60.8-171.7178.9-173.70114.8V226 F238V226-K228 HydrophobicContact CB-CG 4.45Å; V226-K228 HydrophobicContact CG1-CD 4.16Å; V226-K228 HydrophobicContact CG1-CG 3.59Å; V226-K228 PolarHBondContact O-N 3.45Å; V226-K228 VanDerWaalsContact O-N 3.17Å; K228-F238 PolarHBondContact N-O 2.78Å
229Y80.7Confident79.9Confident83 Ų8380 Ų8033%0.32543%0.432SS..EExtended strand (participates in β ladder)trans-112.6108.8-167.8-59-79.2000110.5T237 F238 R240 M241Y229-T237 CarbonylContact O-C 3.59Å; Y229-T237 WeakPolarHBondContact O-CA 3.34Å; Y229-F238 PolarHBondContact N-O 3.42Å; Y229-F238 PolarHBondContact O-N 2.81Å; Y229-R240 VanDerWaalsContact CD2-C 3.47Å; Y229-M241 HydrophobicContact CD1-CB 4.02Å; Y229-M241 HydrophobicContact CD1-CG 4.39Å; Y229-M241 HydrophobicContact CE1-CB 3.85Å; Y229-M241 HydrophobicContact CE1-CG 4.37Å; Y229-M241 HydrophobicContact CE2-CB 4.44Å; Y229-M241 HydrophobicContact CG-CB 4.39Å
230Q83.8Confident79.6Confident118 Ų11883.2 Ų83.255%0.55144%0.443SS*.EExtended strand (participates in β ladder)trans-98.9140.9179.2-168.117323.200111.4S235 R236 T237Q230-S235 WeakPolarHBondContact CG-O 3.47Å; Q230-S235 PolarHBondContact NE2-O 3.2Å; Q230-R236 CarbonylContact C-O 3.45Å; Q230-R236 WeakPolarHBondContact CA-O 3.44Å; Q230-T237 HydrophobicContact CB-CG2 4.1Å; Q230-T237 HydrophobicContact CG-CG2 3.91Å
231C84.3Confident79.6Confident6 Ų685 Ų854%0.04145%0.451CS..  trans-73.3126167.3-176.70000109.9V233 C234 S235 R236 F238 L244 C252C231-V233 PolarHBondContact O-N 2.88Å; C231-V233 PolarHBondContact SG-N 3.12Å; C231-C234 VanDerWaalsContact SG-SG 3.66Å; C231-S235 WeakPolarHBondContact O-CA 3.44Å; C231-S235 PolarHBondContact O-N 3.3Å; C231-R236 PolarHBondContact N-O 3.32Å; C231-F238 HydrophobicContact CB-CE2 4.35Å; C231-L244 HydrophobicContact CB-CD1 3.72Å; C231-C252 VanDerWaalsContact SG-SG 3.69Å
232G81.3Confident79.7Confident84 Ų8484.8 Ų84.887%0.86646%0.455SS*.THydrogen-bonded Turntrans-70.9-9.1177.900000115
233V82.8Confident79.8Confident107 Ų10783.8 Ų83.865%0.64845%0.446SS*.THydrogen-bonded Turntrans-104.7-52.5-176.7179.50000111.7C231 C252C231-V233 PolarHBondContact O-N 2.88Å; C231-V233 PolarHBondContact SG-N 3.12Å; V233-C252 VanDerWaalsContact CB-SG 3.5Å; V233-C252 VanDerWaalsContact CG1-SG 3.53Å
234C84.9Confident80.1Confident47 Ų4781.5 Ų81.532%0.31844%0.437SS..THydrogen-bonded Turntrans-109.615.5-178.8410000113.7C231 R236 H247 C252C231-C234 VanDerWaalsContact SG-SG 3.66Å; C234-R236 PolarHBondContact O-N 3.34Å; C234-H247 PolarHBondContact SG-CE1 2.82Å; C234-H247 PolarHBondContact SG-NE2 2.96Å; C234-C252 WeakPolarHBondContact CB-SG 3.31Å; C234-C252 PolarHBondContact N-SG 3.44Å; C234-C252 WeakPolarHBondContact SG-CB 3.39Å; C234-C252 CovalentContact SG-SG 2.06Å; C234-C252 PolarHBondContact SG-SG 3.46Å
235S80.1Confident80.7Confident78 Ų7883.8 Ų83.855%0.54544%0.437SS..  trans55.27.2174.4-62.90000116.6Q230 C231Q230-S235 WeakPolarHBondContact CG-O 3.47Å; Q230-S235 PolarHBondContact NE2-O 3.2Å; C231-S235 WeakPolarHBondContact O-CA 3.44Å; C231-S235 PolarHBondContact O-N 3.3Å
236R80.6Confident81.6Confident163 Ų16383.2 Ų83.262%0.61543%0.432SS*.  trans-66.9135.6178-73.8-175.5177.2-1760.6110.9Q230 C231 C234 F238Q230-R236 CarbonylContact C-O 3.45Å; Q230-R236 WeakPolarHBondContact CA-O 3.44Å; C231-R236 PolarHBondContact N-O 3.32Å; C234-R236 PolarHBondContact O-N 3.34Å; R236-F238 HydrophobicContact CB-CE2 3.84Å; R236-F238 HydrophobicContact CB-CZ 3.99Å; R236-F238 WeakPolarHBondContact O-CE2 3.42Å
237T82.7Confident82.4Confident62 Ų6281.5 Ų81.538%0.3842%0.419SS..EExtended strand (participates in β ladder)trans-103.9139.1-178.859.90000111.7K227 Y229 Q230K227-T237 WeakPolarHBondContact CD-OG1 3.46Å; Y229-T237 CarbonylContact O-C 3.59Å; Y229-T237 WeakPolarHBondContact O-CA 3.34Å; Q230-T237 HydrophobicContact CB-CG2 4.1Å; Q230-T237 HydrophobicContact CG-CG2 3.91Å
238F81.7Confident82.9Confident38 Ų3878.7 Ų78.717%0.16742%0.416CS..EExtended strand (participates in β ladder)trans-127.3146-175.6-59.9-86.9000109.9K227 K228 Y229 C231 R236 R240 L243 L244 H247K227-F238 CarbonylContact C-O 3.51Å; K227-F238 WeakPolarHBondContact CA-O 3.36Å; K228-F238 PolarHBondContact N-O 2.78Å; Y229-F238 PolarHBondContact N-O 3.42Å; Y229-F238 PolarHBondContact O-N 2.81Å; C231-F238 HydrophobicContact CB-CE2 4.35Å; R236-F238 HydrophobicContact CB-CE2 3.84Å; R236-F238 HydrophobicContact CB-CZ 3.99Å; R236-F238 WeakPolarHBondContact O-CE2 3.42Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-L243 HydrophobicContact CB-CB 4.25Å; F238-L243 HydrophobicContact CD1-CB 3.83Å; F238-L243 HydrophobicContact CG-CB 4.3Å; F238-L244 HydrophobicContact CB-CB 4.41Å; F238-L244 HydrophobicContact CD2-CB 3.91Å; F238-L244 HydrophobicContact CD2-CD1 3.91Å; F238-L244 HydrophobicContact CE2-CD1 3.97Å; F238-L244 HydrophobicContact CG-CB 4.28Å; F238-H247 HydrophobicContact CE1-CB 4.03Å; F238-H247 HydrophobicContact CE2-CB 4.12Å; F238-H247 AromaticContact CE2-CD2 3.33Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.41Å; F238-H247 AromaticContact CE2-CG 3.81Å; F238-H247 AromaticContact CE2-NE2 3.96Å; F238-H247 HydrophobicContact CZ-CB 3.54Å; F238-H247 AromaticContact CZ-CD2 3.29Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.41Å; F238-H247 AromaticContact CZ-CG 3.29Å; F238-H247 AromaticContact CZ-ND1 3.92Å; F238-H247 AromaticContact CZ-NE2 3.86Å
239S83Confident83.1Confident23 Ų2375.7 Ų75.716%0.16142%0.418CS..SBendtrans-74.7-21.1174.653.70000113.2Q221Q221-S239 PolarHBondContact OE1-O 3.13Å
240R80.9Confident82.9Confident93 Ų9375.4 Ų75.435%0.35143%0.433SS..SBendtrans-135.1140.3-176.8-61.9-175.7-67.4127.7-10.1112.4Y229 F238 S242 L243 L244Y229-R240 VanDerWaalsContact CD2-C 3.47Å; F238-R240 VanDerWaalsContact C-N 3.32Å; R240-S242 VanDerWaalsContact C-N 3.28Å; R240-S242 PolarHBondContact NH1-OG 3.03Å; R240-S242 PolarHBondContact O-N 3.29Å; R240-L243 HydrophobicContact CB-CD1 4.25Å; R240-L243 HydrophobicContact CB-CG 4.26Å; R240-L243 WeakPolarHBondContact O-CB 3.49Å; R240-L243 PolarHBondContact O-N 3.06Å; R240-L244 PolarHBondContact O-N 3.11Å
241M84.9Confident82Confident104 Ų10473.4 Ų73.451%0.51243%0.432SS..Hα-helixtrans-58.9-36.7176.1-168.7176.181.600113Y229 L243 L244 Q245Y229-M241 HydrophobicContact CD1-CB 4.02Å; Y229-M241 HydrophobicContact CD1-CG 4.39Å; Y229-M241 HydrophobicContact CE1-CB 3.85Å; Y229-M241 HydrophobicContact CE1-CG 4.37Å; Y229-M241 HydrophobicContact CE2-CB 4.44Å; Y229-M241 HydrophobicContact CG-CB 4.39Å; M241-L243 PolarHBondContact O-N 3.12Å; M241-L244 WeakPolarHBondContact O-CB 3.35Å; M241-L244 PolarHBondContact O-N 3.06Å; M241-Q245 WeakPolarHBondContact O-CG 3.49Å; M241-Q245 PolarHBondContact O-N 3.01Å
242S85.6Confident80.8Confident50 Ų5074.6 Ų74.635%0.3544%0.44SS..Hα-helixtrans-63.5-30177.561.40000113.1R240 K246R240-S242 VanDerWaalsContact C-N 3.28Å; R240-S242 PolarHBondContact NH1-OG 3.03Å; R240-S242 PolarHBondContact O-N 3.29Å; S242-K246 WeakPolarHBondContact O-CG 3.35Å; S242-K246 PolarHBondContact O-N 3.03Å
243L84.7Confident79.6Confident55 Ų5574.9 Ų74.929%0.28843%0.427SS..Hα-helixtrans-74.7-42175.9-68.8174.2000110.5F238 R240 M241 Q245 K246 H247F238-L243 HydrophobicContact CB-CB 4.25Å; F238-L243 HydrophobicContact CD1-CB 3.83Å; F238-L243 HydrophobicContact CG-CB 4.3Å; R240-L243 HydrophobicContact CB-CD1 4.25Å; R240-L243 HydrophobicContact CB-CG 4.26Å; R240-L243 WeakPolarHBondContact O-CB 3.49Å; R240-L243 PolarHBondContact O-N 3.06Å; M241-L243 PolarHBondContact O-N 3.12Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.92Å; L243-K246 PolarHBondContact O-N 2.81Å; L243-H247 WeakPolarHBondContact O-CB 3.26Å; L243-H247 PolarHBondContact O-N 3Å
244L86.5Confident78.4Confident32 Ų3274.8 Ų74.817%0.16843%0.432CS..Hα-helixtrans-58.3-46.4172172.261.3000111.3C231 F238 R240 M241 K246 H247 S248C231-L244 HydrophobicContact CB-CD1 3.72Å; F238-L244 HydrophobicContact CB-CB 4.41Å; F238-L244 HydrophobicContact CD2-CB 3.91Å; F238-L244 HydrophobicContact CD2-CD1 3.91Å; F238-L244 HydrophobicContact CE2-CD1 3.97Å; F238-L244 HydrophobicContact CG-CB 4.28Å; R240-L244 PolarHBondContact O-N 3.11Å; M241-L244 WeakPolarHBondContact O-CB 3.35Å; M241-L244 PolarHBondContact O-N 3.06Å; L244-K246 PolarHBondContact O-N 3.21Å; L244-H247 CarbonylContact O-C 3.55Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.03Å; L244-H247 VanDerWaalsContact O-N 3.16Å; L244-S248 WeakPolarHBondContact O-CB 3.5Å; L244-S248 PolarHBondContact O-N 3.39Å; L244-S248 PolarHBondContact O-OG 3.34Å
245Q85.8Confident76.9Confident110 Ų11077.7 Ų77.751%0.51445%0.452SS..Hα-helixtrans-61.2-41.9178.3-77.1-176.6-36.200112.8M241 L243 H247 S248 A249M241-Q245 WeakPolarHBondContact O-CG 3.49Å; M241-Q245 PolarHBondContact O-N 3.01Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.92Å; Q245-H247 VanDerWaalsContact C-N 3.33Å; Q245-S248 WeakPolarHBondContact CA-OG 3.29Å; Q245-S248 PolarHBondContact O-N 3.23Å; Q245-S248 PolarHBondContact O-OG 3.18Å; Q245-A249 WeakPolarHBondContact O-CB 3.44Å; Q245-A249 PolarHBondContact O-N 3.18Å
246K85.3Confident75.4Confident153 Ų15380.7 Ų80.767%0.66547%0.468SS*.Hα-helixtrans-62.9-42.7173.7-75.3-178179-165.10111.4S242 L243 L244 A249 A250S242-K246 WeakPolarHBondContact O-CG 3.35Å; S242-K246 PolarHBondContact O-N 3.03Å; L243-K246 PolarHBondContact O-N 2.81Å; L244-K246 PolarHBondContact O-N 3.21Å; K246-A249 PolarHBondContact O-N 3.01Å; K246-A250 WeakPolarHBondContact O-CB 3.1Å; K246-A250 PolarHBondContact O-N 3.06Å
247H84.1Confident73.4Confident32 Ų3281.4 Ų81.415%0.14851%0.509CS..Hα-helixtrans-66.3-39.4178.1168.265.4000112.9C234 F238 L243 L244 Q245C234-H247 PolarHBondContact SG-CE1 2.82Å; C234-H247 PolarHBondContact SG-NE2 2.96Å; F238-H247 HydrophobicContact CE1-CB 4.03Å; F238-H247 HydrophobicContact CE2-CB 4.12Å; F238-H247 AromaticContact CE2-CD2 3.33Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.41Å; F238-H247 AromaticContact CE2-CG 3.81Å; F238-H247 AromaticContact CE2-NE2 3.96Å; F238-H247 HydrophobicContact CZ-CB 3.54Å; F238-H247 AromaticContact CZ-CD2 3.29Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.41Å; F238-H247 AromaticContact CZ-CG 3.29Å; F238-H247 AromaticContact CZ-ND1 3.92Å; F238-H247 AromaticContact CZ-NE2 3.86Å; L243-H247 WeakPolarHBondContact O-CB 3.26Å; L243-H247 PolarHBondContact O-N 3Å; L244-H247 CarbonylContact O-C 3.55Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.03Å; L244-H247 VanDerWaalsContact O-N 3.16Å; Q245-H247 VanDerWaalsContact C-N 3.33Å
248S80.5Confident72.9Confident69 Ų6982.4 Ų82.448%0.48352%0.515SS..Hα-helixtrans-72-33.6176630000112.3L244 Q245L244-S248 WeakPolarHBondContact O-CB 3.5Å; L244-S248 PolarHBondContact O-N 3.39Å; L244-S248 PolarHBondContact O-OG 3.34Å; Q245-S248 WeakPolarHBondContact CA-OG 3.29Å; Q245-S248 PolarHBondContact O-N 3.23Å; Q245-S248 PolarHBondContact O-OG 3.18Å
249A81.5Confident72.4Confident83 Ų8384.7 Ų84.769%0.68653%0.533SS*.Hα-helixtrans-76.6-30.9177.400000113Q245 K246 S251Q245-A249 WeakPolarHBondContact O-CB 3.44Å; Q245-A249 PolarHBondContact O-N 3.18Å; K246-A249 PolarHBondContact O-N 3.01Å; A249-S251 PolarHBondContact O-N 3.41Å; A249-S251 VanDerWaalsContact O-N 3.15Å
250A76.1Confident71.8Confident76 Ų7688.2 Ų88.263%0.62855%0.554SS**THydrogen-bonded Turntrans-82.325.2178.800000113.4K246K246-A250 WeakPolarHBondContact O-CB 3.1Å; K246-A250 PolarHBondContact O-N 3.06Å
251S64.3Low71.3Confident76 Ų7687.9 Ų87.953%0.53157%0.566SS.*  trans55.995.9-176.5-54.60000112.6A249 C253A249-S251 PolarHBondContact O-N 3.41Å; A249-S251 VanDerWaalsContact O-N 3.15Å; S251-C253 PolarHBondContact O-N 3.28Å
252C60.1Low70.5Confident32 Ų3286.9 Ų86.922%0.21657%0.569CS.*SBendtrans-62.34.8161.8166.30000112.2C231 V233 C234C231-C252 VanDerWaalsContact SG-SG 3.69Å; V233-C252 VanDerWaalsContact CB-SG 3.5Å; V233-C252 VanDerWaalsContact CG1-SG 3.53Å; C234-C252 WeakPolarHBondContact CB-SG 3.31Å; C234-C252 PolarHBondContact N-SG 3.44Å; C234-C252 WeakPolarHBondContact SG-CB 3.39Å; C234-C252 CovalentContact SG-SG 2.06Å; C234-C252 PolarHBondContact SG-SG 3.46Å
253C55.1Low69.5Low89 Ų8989.3 Ų89.360%0.60158%0.584SS**  trans-128.594.3178.2-530000111.4S251S251-C253 PolarHBondContact O-N 3.28Å
254S58.8Low68.4Low106 Ų10691.8 Ų91.874%0.74161%0.605SS**SBendtrans-125.316.1159.9-45.60000112.4
255S53.7Low67Low107 Ų10796.4 Ų96.475%0.74864%0.639SS**SBendtrans-162.9112.1172.6-56.10000104.3
256T46.9Very low65.4Low142 Ų14295.3 Ų95.387%0.87165%0.649SS**  -157.8130.463.146.50000110.1
257A38.6Very low63.6Low178 Ų17890 Ų90100%1.47165%0.648SS**  trans-120.3015400000106.9

Retrieved 257 of 257 residues in 662.2 ms (Link to these results)