A0A077ZJG9_TRITR Loading...

Zf-C3HC4 2 and zf-CCCH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 282 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.2Very low39.8Very low247 Ų247163 Ų163100%1.21787%0.867SS**  0167.40-71.1176.7173.700109
2R39.8Very low40Very low257 Ų257162.4 Ų162.497%0.9786%0.861SS**  trans-31.4138.5-179.9-48.2172.7-173-149.9-0.5115.1
3G40.3Very low40.2Very low75 Ų75159.3 Ų159.377%0.77386%0.856SS**  cis162.9175.1-9.600000115.1
4S41.9Very low40.3Very low114 Ų114158.1 Ų158.180%0.79785%0.847SS**  trans70.490150.5-156.30000123.5
5L37.4Very low40.1Very low143 Ų143158 Ų15875%0.74985%0.845SS**  28.7128.2124.1-67.6165.6000122.9
6R36.5Very low40.1Very low232 Ų232158.2 Ų158.288%0.87584%0.836SS**  trans47.4125.9133.8-60.7-177.8-178.2-142.91.2121.1
7S37.7Very low40.2Very low114 Ų114155.8 Ų155.880%0.79782%0.824SS**  -167157.4104.1-1620000112.3
8T39.8Very low40.8Very low128 Ų128152.5 Ų152.579%0.78581%0.813SS**  trans-109.6139.5175.950.10000111.4
9N46.1Very low41.2Very low155 Ų155153.8 Ų153.883%0.82982%0.819SS**  trans-141.3124.5164.2-85.5-41.9000109.6
10G33.8Very low41Very low77 Ų77154 Ų15479%0.79482%0.819SS**  trans-98.4148.4174.400000111.9
11W41.9Very low40.9Very low251 Ų251154 Ų15495%0.95182%0.819SS**  trans-121.6154.2179.2-86.339.5000111.3
12I41.4Very low40.7Very low156 Ų156146.2 Ų146.280%0.879%0.789SS**  trans-120140.2-166.1-55.5165.4000110.9
13P42.5Very low40.5Very low122 Ų122139.9 Ų139.979%0.79278%0.784SS**  trans-105.893.4168.235.4-26.7000114
14I41.5Very low40.4Very low143 Ų143140.2 Ų140.273%0.73379%0.788SS**  trans8.9124.9132.2-71.7168.8000119.1
15L38.1Very low40.2Very low156 Ų156139.5 Ų139.582%0.81779%0.789SS**  trans45.4150.5140.7-66.7162.2000120.3
16K40.2Very low40Very low161 Ų161137.8 Ų137.870%0.779%0.789SS**  cis-155.3-175.420.3-128.9176.1173.5-77.50107.4
17D41.2Very low39.7Very low118 Ų118132.1 Ų132.163%0.63179%0.785SS**  cis-158.4165.11.4-134.6-10.3000109
18P52.1Low39.6Very low96 Ų96131.7 Ų131.762%0.62378%0.782SS**  trans-117.1173.4-176.241.8-32.1000116
19L47.1Very low39.3Very low177 Ų177129.4 Ų129.493%0.92777%0.772SS**  trans-134.9146.5159.3-75.7178.3000111.3
20L37.7Very low38.8Very low158 Ų158131.1 Ų131.183%0.82778%0.775SS**  trans-103.3165.8-172.7-70.371.6000112.1
21N39.1Very low39.1Very low153 Ų153136.4 Ų136.482%0.81878%0.778SS**  -147.2157.2125.7-154.59.9000113.4
22S39.5Very low38.7Very low84 Ų84132 Ų13259%0.58777%0.768SS**  trans-6.6126.8171.557.50000119.2
23S35.6Very low38.8Very low124 Ų124130.5 Ų130.587%0.86777%0.766SS**  cis82.5110.439.2830000115.7
24G38Very low38.5Very low83 Ų83131.7 Ų131.786%0.85676%0.761SS**  trans-169.9120.5173.100000112.4
25A37.1Very low38.5Very low98 Ų98132.3 Ų132.381%0.8176%0.764SS**  trans-56.1165.4-178.200000116.2
26S32.7Very low38.8Very low107 Ų107128.4 Ų128.475%0.74875%0.754SS**  cis-179.8155.4-1854.90000111.4
27S31.2Very low38.9Very low113 Ų113126.7 Ų126.779%0.7976%0.759SS**  trans75.2154.7157-159.50000118.8
28S34.5Very low39Very low106 Ų106127.1 Ų127.174%0.74177%0.766SS**  trans65.1144.7173.5-84.50000118.8
29S34.4Very low38.7Very low80 Ų80131.9 Ų131.956%0.55978%0.777SS**  cis176.9128.3-35.939.60000107.4
30E35.9Very low38.7Very low191 Ų191132.6 Ų132.689%0.89377%0.773SS**  trans50.482.8159.622.1-174.9171.100117.8
31E38.8Very low39.1Very low187 Ų187131 Ų13187%0.87477%0.77SS**  trans-125.3131.6154.1-74.2-170.7-14600110.2V33E31-V33 PolarHBondContact O-N 3.11Å
32E34.1Very low39.8Very low159 Ų159130.1 Ų130.174%0.74377%0.769SS**  trans-90.7103.7-168.9-171.6175.9177.500112.5H34E32-H34 VanDerWaalsContact CD-CE1 3.42Å; E32-H34 PolarHBondContact O-N 3.2Å; E32-H34 IonicContact OE1-CE1 3.36Å; E32-H34 PolarHBondContact OE1-CE1 3.14Å; E32-H34 IonicContact OE1-ND1 3.07Å; E32-H34 IonicContact OE2-CE1 3.94Å
33V42.4Very low40.5Very low124 Ų124137 Ų13775%0.75278%0.782SS**  trans-85.891.6-179.3-175.10000111.3E31 I35E31-V33 PolarHBondContact O-N 3.11Å; V33-I35 HydrophobicContact CG1-CG1 4.41Å; V33-I35 PolarHBondContact O-N 3.1Å; V33-I35 VanDerWaalsContact O-N 3.09Å
34H36.6Very low41.5Very low147 Ų147140 Ų14068%0.68178%0.783SS**  trans-67.3102.6171.3-63.3-42.6000112E32 A36E32-H34 VanDerWaalsContact CD-CE1 3.42Å; E32-H34 PolarHBondContact O-N 3.2Å; E32-H34 IonicContact OE1-CE1 3.36Å; E32-H34 PolarHBondContact OE1-CE1 3.14Å; E32-H34 IonicContact OE1-ND1 3.07Å; E32-H34 IonicContact OE2-CE1 3.94Å; H34-A36 PolarHBondContact O-N 3.3Å
35I42Very low42.8Very low157 Ų157141.2 Ų141.281%0.80577%0.77SS**  trans-77.988.4175.9-54.4177.4000110V33V33-I35 HydrophobicContact CG1-CG1 4.41Å; V33-I35 PolarHBondContact O-N 3.1Å; V33-I35 VanDerWaalsContact O-N 3.09Å
36A45.3Very low44.1Very low74 Ų74142.9 Ų142.961%0.61277%0.773SS**  trans-69.5132.4173.600000111.5H34 V38H34-A36 PolarHBondContact O-N 3.3Å; A36-V38 PolarHBondContact O-N 3.38Å
37P41.7Very low45.5Very low124 Ų124146 Ų14681%0.80578%0.777SS**  trans-74.593.3-178.529.4-34.6000111.6K39P37-K39 PolarHBondContact O-N 3.36Å; P37-K39 VanDerWaalsContact O-N 3.07Å
38V43.4Very low46.9Very low127 Ų127145.1 Ų145.177%0.7777%0.767SS**  trans-63.2109.5173.5-179.60000109.7A36 K40A36-V38 PolarHBondContact O-N 3.38Å; V38-K40 PolarHBondContact O-N 2.95Å
39K45.7Very low47.7Very low197 Ų197149.2 Ų149.286%0.85777%0.774SS**  trans-63.396170.5-71.5-175.8178.2-179.50109.6P37 T41P37-K39 PolarHBondContact O-N 3.36Å; P37-K39 VanDerWaalsContact O-N 3.07Å; K39-T41 PolarHBondContact O-N 3.43Å; K39-T41 VanDerWaalsContact O-N 3.08Å
40K46.3Very low49Very low191 Ų191151.2 Ų151.283%0.8378%0.783SS**  trans-62.9109170.1-72.1-175.9178179.30108.9V38 V42V38-K40 PolarHBondContact O-N 2.95Å; K40-V42 PolarHBondContact O-N 2.88Å
41T46.8Very low49.4Very low125 Ų125148.8 Ų148.877%0.76778%0.782SS**  trans-67.4112.2165.340.50000108.2K39 R43K39-T41 PolarHBondContact O-N 3.43Å; K39-T41 VanDerWaalsContact O-N 3.08Å; T41-R43 PolarHBondContact O-N 3.22Å
42V54.6Low49.8Very low134 Ų134145.8 Ų145.881%0.81278%0.776SS**  trans-68.8104.5173179.90000107K40K40-V42 PolarHBondContact O-N 2.88Å
43R53.5Low50.5Low228 Ų228147.8 Ų147.886%0.8678%0.782SS**  trans-74128.7164.7-73.7-175.8171.4-177.3-3.5107.7T41 N45T41-R43 PolarHBondContact O-N 3.22Å; R43-N45 PolarHBondContact O-N 3.31Å
44E57.5Low50.3Low187 Ų187147.8 Ų147.887%0.87479%0.785SS**  trans-60.7135.3174.6-63.9178.614300109.5P46E44-P46 WeakPolarHBondContact O-CD 3.38Å
45N64.1Low50.5Low109 Ų109148.7 Ų148.758%0.58379%0.789SS**  trans-90.6113.1-173.5-17211.6000108.6R43 M47 V48R43-N45 PolarHBondContact O-N 3.31Å; N45-M47 PolarHBondContact O-N 2.92Å; N45-V48 HydrophobicContact CB-CG2 4.24Å; N45-V48 PolarHBondContact O-N 3.29Å; N45-V48 VanDerWaalsContact O-N 3.12Å
46P65.6Low50.2Low134 Ų134147.7 Ų147.787%0.8779%0.785SS**THydrogen-bonded Turntrans-69.910.1-166.529.1-37.6000115.2E44E44-P46 WeakPolarHBondContact O-CD 3.38Å
47M61.7Low50.2Low171 Ų171154.5 Ų154.584%0.84280%0.795SS**THydrogen-bonded Turntrans-117.218.9176.7-160.8149.158.400112.5N45N45-M47 PolarHBondContact O-N 2.92Å
48V59.3Low49.8Very low96 Ų96154.8 Ų154.858%0.58280%0.795SS**  trans-110106.3170.6-178.60000108.7N45 T50N45-V48 HydrophobicContact CB-CG2 4.24Å; N45-V48 PolarHBondContact O-N 3.29Å; N45-V48 VanDerWaalsContact O-N 3.12Å; V48-T50 HydrophobicContact CG1-CG2 4.46Å
49Q51.6Low49.5Very low191 Ų191153.1 Ų153.189%0.89379%0.789SS**  trans-76129.4172.8-70.5175.2-45.500110.2
50T62Low49.3Very low122 Ų122152.9 Ų152.975%0.74879%0.791SS**  trans-116.3117175.947.30000110.4V48 V52V48-T50 HydrophobicContact CG1-CG2 4.46Å; T50-V52 PolarHBondContact O-N 2.96Å
51T44.4Very low48.9Very low140 Ų140150.8 Ų150.886%0.85979%0.794SS**  trans-93.655.6-172.3560000112.4
52V47.6Very low49.2Very low125 Ų125150.4 Ų150.476%0.75879%0.791SS**  trans-138.2100.7173.3-170.80000111.1T50T50-V52 PolarHBondContact O-N 2.96Å
53K49Very low48.9Very low200 Ų200148.8 Ų148.887%0.8779%0.793SS**  trans-119.9121.5150.2-76.2-177.7178.8174.80106.8H55K53-H55 PolarHBondContact O-N 3.26Å
54P37.9Very low49Very low125 Ų125143 Ų14381%0.81278%0.779SS**  trans-66.9123.3170.528.3-31.9000108.4D56P54-D56 PolarHBondContact O-N 3.42Å
55H40.6Very low49.2Very low165 Ų165140.5 Ų140.576%0.76478%0.776SS**  trans-81.6112.9169.9-170.4-51.8000108K53 R57K53-H55 PolarHBondContact O-N 3.26Å; H55-R57 PolarHBondContact O-N 2.91Å
56D36.8Very low49.2Very low136 Ų136143.7 Ų143.773%0.72779%0.785SS**  trans-60.9127.4174.7-128.2-29.7000109.4P54P54-D56 PolarHBondContact O-N 3.42Å
57R43.9Very low49.7Very low218 Ų218143.6 Ų143.682%0.82378%0.781SS**  trans-118.271.6-177.5-84.3-167.8170.4-166.3-2.1110.5H55 S59H55-R57 PolarHBondContact O-N 2.91Å; R57-S59 PolarHBondContact O-N 2.97Å; R57-S59 VanDerWaalsContact O-N 3.16Å
58T32.8Very low50.4Low130 Ų130140.9 Ų140.980%0.79878%0.775SS**  trans-84.174.5172.853.90000110.8
59S37.6Very low51.4Low92 Ų92141.1 Ų141.164%0.64379%0.787SS**  trans-149.5100.3174.562.10000113.2R57R57-S59 PolarHBondContact O-N 2.97Å; R57-S59 VanDerWaalsContact O-N 3.16Å
60E42.7Very low52.7Low191 Ų191140.5 Ų140.589%0.89378%0.784SS**  trans64.6142.1150.6-53.3-168.3154.900120.3V62E60-V62 PolarHBondContact O-N 3.33Å
61T36.9Very low53.4Low148 Ų148138 Ų13891%0.90878%0.782SS**  trans-88.188.8-167.652.90000112.8
62V53.2Low55Low116 Ų116137.8 Ų137.870%0.70378%0.781SS**  trans-89.2148.2152.1-80.80000110.2E60 D64E60-V62 PolarHBondContact O-N 3.33Å; V62-D64 VanDerWaalsContact C-N 3.31Å; V62-D64 PolarHBondContact O-N 3.27Å
63A48.6Very low56Low101 Ų101136 Ų13684%0.83579%0.788SS**  trans-81.176.1-177.800000110.8V65A63-V65 PolarHBondContact O-N 3.29Å
64D54.9Low56.8Low107 Ų107133.2 Ų133.257%0.57278%0.783SS**  trans-58.3120.1179.2-80.3-24.4000111.6V62 F66V62-D64 VanDerWaalsContact C-N 3.31Å; V62-D64 PolarHBondContact O-N 3.27Å; D64-F66 VanDerWaalsContact C-N 3.3Å; D64-F66 HydrophobicContact CB-CD2 4.04Å; D64-F66 HydrophobicContact CB-CE2 3.61Å; D64-F66 HydrophobicContact CB-CZ 4.01Å; D64-F66 VanDerWaalsContact O-CD2 3.25Å; D64-F66 WeakPolarHBondContact O-CD2 3.32Å; D64-F66 PolarHBondContact O-N 2.83Å
65V62.8Low58Low134 Ų134132.8 Ų132.881%0.81278%0.781SS**  trans-78.984.3172.7-178.30000108.1A63 V67A63-V65 PolarHBondContact O-N 3.29Å; V65-V67 PolarHBondContact O-N 2.95Å
66F63.3Low59.3Low175 Ų175133.4 Ų133.477%0.76878%0.776SS**  trans-61.999.8176.7-73.7-84.1000111.3D64 T68D64-F66 VanDerWaalsContact C-N 3.3Å; D64-F66 HydrophobicContact CB-CD2 4.04Å; D64-F66 HydrophobicContact CB-CE2 3.61Å; D64-F66 HydrophobicContact CB-CZ 4.01Å; D64-F66 VanDerWaalsContact O-CD2 3.25Å; D64-F66 WeakPolarHBondContact O-CD2 3.32Å; D64-F66 PolarHBondContact O-N 2.83Å; F66-T68 PolarHBondContact O-N 3.25Å
67V76.1Confident61.4Low132 Ų132135.9 Ų135.980%0.878%0.784SS**  trans-78.8103.6166.4-178.90000108V65 A69V65-V67 PolarHBondContact O-N 2.95Å; V67-A69 PolarHBondContact O-N 2.87Å
68T76.5Confident63.4Low114 Ų114128.5 Ų128.570%0.69978%0.775SS**  trans-69.4109.5175.347.20000110.3F66 E70F66-T68 PolarHBondContact O-N 3.25Å; T68-E70 PolarHBondContact O-N 3.45Å
69A79.8Confident66.1Low102 Ų102126.1 Ų126.184%0.84376%0.762SS**  trans-72.396.1169.900000109.6V67 G71V67-A69 PolarHBondContact O-N 2.87Å; A69-G71 PolarHBondContact O-N 2.78Å
70E79.3Confident68.5Low178 Ų178127.6 Ų127.683%0.83277%0.773SS**  trans-68.1112.1171.9-65.9-173.7171.300109.5T68T68-E70 PolarHBondContact O-N 3.45Å
71G77Confident70.8Confident68 Ų68120.8 Ų120.870%0.70174%0.742SS**  trans-65.2140.717300000110.8A69 G73A69-G71 PolarHBondContact O-N 2.78Å; G71-G73 PolarHBondContact O-N 3.04Å
72T77.5Confident73.3Confident136 Ų136120.5 Ų120.583%0.83473%0.732SS**  trans-58.9104.7164.441.50000108.2D74T72-D74 PolarHBondContact O-N 3.2Å
73G68.2Low75.1Confident88 Ų88116.4 Ų116.491%0.90771%0.714SS**SBendtrans-7335.3-166.600000116.2G71G71-G73 PolarHBondContact O-N 3.04Å
74D66.5Low77Confident142 Ų142115.8 Ų115.876%0.75971%0.709SS**SBendtrans-148.3158.5178.1-161.5-2.7000110.2T72T72-D74 PolarHBondContact O-N 3.2Å
75C62.4Low78.7Confident115 Ų115116.4 Ų116.478%0.77772%0.717SS**SBendtrans73.2163.2-178.6960000118.3
76R69.1Low79.9Confident178 Ų178117.6 Ų117.667%0.67271%0.706SS**  trans-95.3129178.1162.3179.4168.9171.3-4.8108.4M82R76-M82 PolarHBondContact NH2-SD 2.76Å
77E80.9Confident81.1Confident188 Ų188111.1 Ų111.188%0.87968%0.683SS**SBendtrans-65.7145179.7-62.2-178.5169.400112.7
78G85.1Confident81.7Confident63 Ų63107.7 Ų107.765%0.64966%0.657SS**SBendtrans86.7171.4178.100000115.2
79P89Confident82.3Confident80 Ų80109.6 Ų109.652%0.51966%0.658SS.*  trans-73.6150-179.933.6-37.2000111.6D81 M82P79-D81 WeakPolarHBondContact CB-OD1 3.47Å; P79-D81 WeakPolarHBondContact CG-OD1 3.35Å; P79-D81 PolarHBondContact O-N 2.62Å; P79-D81 VanDerWaalsContact O-N 3.16Å; P79-M82 PolarHBondContact O-N 3.44Å; P79-M82 VanDerWaalsContact O-N 3.12Å
80S88.8Confident82.7Confident123 Ų123107.7 Ų107.786%0.8665%0.649SS**THydrogen-bonded Turntrans-65.8-18.5-173.8530000114.8
81D91.3Very high83.2Confident48 Ų48103.2 Ų103.226%0.25763%0.631SS.*THydrogen-bonded Turntrans-93.40.1179.176.4-32000113.5P79 G83 A84 T85P79-D81 WeakPolarHBondContact CB-OD1 3.47Å; P79-D81 WeakPolarHBondContact CG-OD1 3.35Å; P79-D81 PolarHBondContact O-N 2.62Å; P79-D81 VanDerWaalsContact O-N 3.16Å; D81-G83 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact OD1-N 2.92Å; D81-A84 HydrophobicContact CB-CB 4.27Å; D81-A84 WeakPolarHBondContact O-CB 3.36Å; D81-A84 PolarHBondContact O-N 2.9Å; D81-A84 PolarHBondContact OD2-N 3.49Å; D81-T85 PolarHBondContact OD2-N 2.82Å; D81-T85 PolarHBondContact OD2-OG1 3.39Å; D81-T85 VanDerWaalsContact OD2-OG1 3.04Å
82M89.5Confident83.9Confident142 Ų142104.7 Ų104.770%0.763%0.626SS**THydrogen-bonded Turntrans56.726.4-172.9-51.6-65-73.900114R76 P79R76-M82 PolarHBondContact NH2-SD 2.76Å; P79-M82 PolarHBondContact O-N 3.44Å; P79-M82 VanDerWaalsContact O-N 3.12Å
83G89.6Confident84.5Confident30 Ų30103.1 Ų103.131%0.30961%0.609SS.*THydrogen-bonded Turntrans85.514.3179.800000115.3D81 T85 W86D81-G83 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact OD1-N 2.92Å; G83-T85 PolarHBondContact O-N 2.96Å; G83-W86 VanDerWaalsContact O-CB 3.26Å; G83-W86 WeakPolarHBondContact O-CB 3.23Å; G83-W86 PolarHBondContact O-N 3.27Å; G83-W86 VanDerWaalsContact O-N 3.15Å
84A89.4Confident85.5Confident89 Ų89106.6 Ų106.674%0.73660%0.595SS**THydrogen-bonded Turntrans-59.9-27.7175.600000113.9D81D81-A84 HydrophobicContact CB-CB 4.27Å; D81-A84 WeakPolarHBondContact O-CB 3.36Å; D81-A84 PolarHBondContact O-N 2.9Å; D81-A84 PolarHBondContact OD2-N 3.49Å
85T89.9Confident86.6Confident120 Ų120106 Ų10674%0.73659%0.592SS**THydrogen-bonded Turntrans-104.620.8176.166.40000113.4D81 G83 S87D81-T85 PolarHBondContact OD2-N 2.82Å; D81-T85 PolarHBondContact OD2-OG1 3.39Å; D81-T85 VanDerWaalsContact OD2-OG1 3.04Å; G83-T85 PolarHBondContact O-N 2.96Å; T85-S87 PolarHBondContact O-N 2.96Å
86W88Confident87.9Confident158 Ų158107.7 Ų107.760%0.59858%0.582SS**  trans-57.5124.9-176.3-176.383.3000113.1G83 F88G83-W86 VanDerWaalsContact O-CB 3.26Å; G83-W86 WeakPolarHBondContact O-CB 3.23Å; G83-W86 PolarHBondContact O-N 3.27Å; G83-W86 VanDerWaalsContact O-N 3.15Å; W86-F88 HydrophobicContact CH2-CB 4.44Å; W86-F88 AromaticContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CZ3-CB 4.11Å; W86-F88 HydrophobicContact CZ3-CD2 4.15Å
87S89.3Confident88.9Confident40 Ų4099.6 Ų99.628%0.2855%0.552SS.*  trans-91.5130.3178.432.70000111.7T85 E89T85-S87 PolarHBondContact O-N 2.96Å; S87-E89 VanDerWaalsContact CB-OE1 3.29Å; S87-E89 WeakPolarHBondContact CB-OE1 3.39Å; S87-E89 PolarHBondContact O-N 2.73Å; S87-E89 PolarHBondContact OG-OE1 3.33Å
88F88.6Confident89.2Confident59 Ų5992.5 Ų92.526%0.25952%0.523SS..  trans-74.8106.5166.9-175.3-95.2000110.2W86 D91 V155W86-F88 HydrophobicContact CH2-CB 4.44Å; W86-F88 AromaticContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CH2-CD2 3.85Å; W86-F88 HydrophobicContact CZ3-CB 4.11Å; W86-F88 HydrophobicContact CZ3-CD2 4.15Å; F88-D91 WeakPolarHBondContact CE1-OD2 3.23Å; F88-V155 PolarHBondContact N-O 3.22Å
89E88Confident89.1Confident154 Ų15490.5 Ų90.572%0.7250%0.497SS*.  trans-111.423.6-176.5-69.6172.9-159.500112.9S87 D91S87-E89 VanDerWaalsContact CB-OE1 3.29Å; S87-E89 WeakPolarHBondContact CB-OE1 3.39Å; S87-E89 PolarHBondContact O-N 2.73Å; S87-E89 PolarHBondContact OG-OE1 3.33Å; E89-D91 VanDerWaalsContact C-N 3.33Å
90G88.3Confident89.1Confident62 Ų6287.2 Ų87.264%0.63948%0.476SS*.SBendtrans-79.9-10.8173.900000114.8
91D90.2Very high89Confident85 Ų8585.1 Ų85.146%0.45545%0.453SS..SBendtrans-103.3172.9175.9-67.2-49.9000110.8F88 E89 A153F88-D91 WeakPolarHBondContact CE1-OD2 3.23Å; E89-D91 VanDerWaalsContact C-N 3.33Å; D91-A153 WeakPolarHBondContact OD2-CB 3.07Å
92T91.6Very high88.6Confident99 Ų9986.5 Ų86.561%0.60746%0.457SS*.  trans-61.7136.9179-54.30000112.6R96 D97T92-R96 HydrophobicContact CG2-CB 4.03Å; T92-D97 HydrophobicContact CG2-CB 4.24Å
93E90.9Very high88.3Confident102 Ų10282.4 Ų82.448%0.47744%0.436SS..  trans-45.3138174.3-70.3174.9-147.800113.5D95 R96 D97E93-D95 PolarHBondContact O-N 3.32Å; E93-R96 HydrophobicContact CB-CB 4.44Å; E93-R96 HydrophobicContact CB-CG 4.26Å; E93-R96 VanDerWaalsContact CD-NE 3.34Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 IonicContact OE1-CZ 2.67Å; E93-R96 VanDerWaalsContact OE1-CZ 3.28Å; E93-R96 IonicContact OE1-NE 3.04Å; E93-R96 IonicContact OE1-NH2 3.45Å; E93-R96 PolarHBondContact OE1-NH2 2.92Å; E93-R96 IonicContact OE2-CZ 3.26Å; E93-R96 IonicContact OE2-NE 3.64Å; E93-R96 PolarHBondContact OE2-NE 3.08Å; E93-R96 IonicContact OE2-NH2 2.94Å; E93-R96 PolarHBondContact OE2-NH2 2.94Å; E93-D97 PolarHBondContact O-N 2.9Å
94R88Confident88.2Confident161 Ų16186.7 Ų86.761%0.60844%0.443SS*.THydrogen-bonded Turntrans-55.1-29.2-173.1-67.7-179.864.7172.2-1.4115.1D97 A100 R152R94-D97 WeakPolarHBondContact CA-OD2 3.47Å; R94-A100 VanDerWaalsContact O-CB 3.24Å; R94-A100 WeakPolarHBondContact O-CB 3.45Å; R94-R152 PolarHBondContact O-NH2 3.42Å; R94-R152 VanDerWaalsContact O-NH2 3.07Å
95D90Very high88Confident130 Ų13083.3 Ų83.370%0.69542%0.415SS*.THydrogen-bonded Turntrans-84.6-23.3179.7-64.1-34.5000112.9E93 A100 R104E93-D95 PolarHBondContact O-N 3.32Å; D95-A100 VanDerWaalsContact O-CB 3.31Å; D95-A100 WeakPolarHBondContact O-CB 3.45Å; D95-R104 PolarHBondContact O-NH2 2.82Å
96R89.4Confident87.6Confident150 Ų15079.8 Ų79.857%0.56639%0.391SS*.THydrogen-bonded Turntrans-100.3-20.1-176.1-53.3-169.3-152.3-171.513.6113.1T92 E93 Q101T92-R96 HydrophobicContact CG2-CB 4.03Å; E93-R96 HydrophobicContact CB-CB 4.44Å; E93-R96 HydrophobicContact CB-CG 4.26Å; E93-R96 VanDerWaalsContact CD-NE 3.34Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 IonicContact OE1-CZ 2.67Å; E93-R96 VanDerWaalsContact OE1-CZ 3.28Å; E93-R96 IonicContact OE1-NE 3.04Å; E93-R96 IonicContact OE1-NH2 3.45Å; E93-R96 PolarHBondContact OE1-NH2 2.92Å; E93-R96 IonicContact OE2-CZ 3.26Å; E93-R96 IonicContact OE2-NE 3.64Å; E93-R96 PolarHBondContact OE2-NE 3.08Å; E93-R96 IonicContact OE2-NH2 2.94Å; E93-R96 PolarHBondContact OE2-NH2 2.94Å; R96-Q101 PolarHBondContact O-NE2 3.49Å
97D90.1Very high87.5Confident9 Ų978.5 Ų78.55%0.04839%0.39CS..SBendtrans-58.2166.6-177.372.732.9000114.6T92 E93 R94 Q99 A100 Q101 R152T92-D97 HydrophobicContact CG2-CB 4.24Å; E93-D97 PolarHBondContact O-N 2.9Å; R94-D97 WeakPolarHBondContact CA-OD2 3.47Å; D97-Q99 PolarHBondContact O-N 3.28Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.5Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.27Å; D97-A100 PolarHBondContact O-N 3.07Å; D97-A100 PolarHBondContact OD1-N 2.93Å; D97-Q101 WeakPolarHBondContact O-CG 3.33Å; D97-Q101 PolarHBondContact O-N 3.49Å; D97-R152 IonicContact OD1-CZ 3Å; D97-R152 IonicContact OD1-NE 2.82Å; D97-R152 IonicContact OD1-NH2 2.73Å; D97-R152 PolarHBondContact OD1-NH2 3.45Å; D97-R152 IonicContact OD2-CZ 3.63Å; D97-R152 VanDerWaalsContact OD2-CZ 3.23Å; D97-R152 IonicContact OD2-NE 2.84Å; D97-R152 PolarHBondContact OD2-NE 2.94Å; D97-R152 IonicContact OD2-NH2 2.78Å; D97-R152 PolarHBondContact OD2-NH2 3Å
98S87.2Confident87.3Confident38 Ų3878.6 Ų78.627%0.26639%0.387SS..Hα-helixtrans-53.8-34.9177.548.90000113.4F102 P150S98-F102 WeakPolarHBondContact O-CB 3.43Å; S98-F102 PolarHBondContact O-N 3.34Å; S98-P150 PolarHBondContact OG-O 3.42Å
99Q84.6Confident86.9Confident22 Ų2278.8 Ų78.810%0.10339%0.389CS..Hα-helixtrans-73.5-44.3-177.7-71.4-166.41.300111.4D97 F102 E103 R147 R152D97-Q99 PolarHBondContact O-N 3.28Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.5Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.27Å; Q99-F102 PolarHBondContact O-N 3.11Å; Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 VanDerWaalsContact O-CG 3.22Å; Q99-E103 WeakPolarHBondContact O-CG 3.24Å; Q99-E103 PolarHBondContact O-N 2.86Å; Q99-R147 VanDerWaalsContact CB-NH1 3.32Å; Q99-R152 VanDerWaalsContact CD-CB 3.42Å; Q99-R152 HydrophobicContact CG-CB 4.2Å; Q99-R152 VanDerWaalsContact NE2-N 3.15Å; Q99-R152 VanDerWaalsContact OE1-CB 3.26Å
100A88.3Confident86.7Confident10 Ų1076.6 Ų76.68%0.08338%0.378CS..Hα-helixtrans-69.2-33.8173.900000112.2R94 D95 D97 R104R94-A100 VanDerWaalsContact O-CB 3.24Å; R94-A100 WeakPolarHBondContact O-CB 3.45Å; D95-A100 VanDerWaalsContact O-CB 3.31Å; D95-A100 WeakPolarHBondContact O-CB 3.45Å; D97-A100 PolarHBondContact O-N 3.07Å; D97-A100 PolarHBondContact OD1-N 2.93Å; A100-R104 VanDerWaalsContact O-CB 3.28Å; A100-R104 WeakPolarHBondContact O-CB 3.46Å; A100-R104 VanDerWaalsContact O-CG 3.24Å; A100-R104 WeakPolarHBondContact O-CG 3.42Å; A100-R104 PolarHBondContact O-N 3.2Å; A100-R104 PolarHBondContact O-NE 3.31Å
101Q87.2Confident86.5Confident80 Ų8078.6 Ų78.637%0.37437%0.371SS..Hα-helixtrans-62.3-43.8170.3-72.5-178.644.500111.9R96 D97 R104 A105R96-Q101 PolarHBondContact O-NE2 3.49Å; D97-Q101 WeakPolarHBondContact O-CG 3.33Å; D97-Q101 PolarHBondContact O-N 3.49Å; Q101-R104 PolarHBondContact O-N 3.38Å; Q101-A105 PolarHBondContact O-N 3.07Å
102F83Confident86Confident76 Ų7678.3 Ų78.333%0.33336%0.364SS..Hα-helixtrans-67.1-43.4176.5-178.1-110.2000112.2S98 Q99 R104 A105 L106 A141S98-F102 WeakPolarHBondContact O-CB 3.43Å; S98-F102 PolarHBondContact O-N 3.34Å; Q99-F102 PolarHBondContact O-N 3.11Å; F102-R104 VanDerWaalsContact C-N 3.31Å; F102-R104 PolarHBondContact O-N 2.62Å; F102-A105 PolarHBondContact O-N 2.88Å; F102-A105 VanDerWaalsContact O-N 3.16Å; F102-L106 HydrophobicContact CD1-CD1 4Å; F102-L106 HydrophobicContact CD1-CG 4.45Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.09Å; F102-L106 HydrophobicContact CE2-CD2 4.49Å; F102-L106 HydrophobicContact CE2-CG 4.4Å; F102-L106 HydrophobicContact CZ-CD1 3.87Å; F102-L106 HydrophobicContact CZ-CD2 4.14Å; F102-L106 HydrophobicContact CZ-CG 4.05Å; F102-L106 PolarHBondContact O-N 3.09Å; F102-A141 HydrophobicContact CE1-CB 3.78Å; F102-A141 HydrophobicContact CZ-CB 3.84Å
103E83.5Confident85.3Confident57 Ų5781.6 Ų81.627%0.26637%0.365SS..Hα-helixtrans-64.1-33.6175.2-72.6160.4-156.900112.3Q99 K107 R147 R152Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 VanDerWaalsContact O-CG 3.22Å; Q99-E103 WeakPolarHBondContact O-CG 3.24Å; Q99-E103 PolarHBondContact O-N 2.86Å; E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.37Å; E103-K107 PolarHBondContact O-N 2.82Å; E103-R147 IonicContact OE1-CZ 3.75Å; E103-R147 IonicContact OE1-NH1 3.69Å; E103-R147 PolarHBondContact OE1-NH1 3.36Å; E103-R147 IonicContact OE1-NH2 2.77Å; E103-R147 PolarHBondContact OE1-NH2 2.78Å; E103-R152 IonicContact OE1-NH1 2.7Å
104R87Confident84.7Confident119 Ų11980.9 Ų80.945%0.44939%0.385SS..Hα-helixtrans-67.3-42.7170-78.8-179.1-86.6122.7-9.9111.9D95 A100 Q101 F102 K107 I108D95-R104 PolarHBondContact O-NH2 2.82Å; A100-R104 VanDerWaalsContact O-CB 3.28Å; A100-R104 WeakPolarHBondContact O-CB 3.46Å; A100-R104 VanDerWaalsContact O-CG 3.24Å; A100-R104 WeakPolarHBondContact O-CG 3.42Å; A100-R104 PolarHBondContact O-N 3.2Å; A100-R104 PolarHBondContact O-NE 3.31Å; Q101-R104 PolarHBondContact O-N 3.38Å; F102-R104 VanDerWaalsContact C-N 3.31Å; F102-R104 PolarHBondContact O-N 2.62Å; R104-K107 PolarHBondContact O-N 2.87Å; R104-I108 WeakPolarHBondContact O-CG1 3.42Å; R104-I108 PolarHBondContact O-N 2.99Å; R104-I108 VanDerWaalsContact O-N 3.14Å
105A84.8Confident84.3Confident18 Ų1878.6 Ų78.615%0.14938%0.379CS..Hα-helixtrans-63.4-44.3176.900000112.4Q101 F102 K107 I108 Q109 N125Q101-A105 PolarHBondContact O-N 3.07Å; F102-A105 PolarHBondContact O-N 2.88Å; F102-A105 VanDerWaalsContact O-N 3.16Å; A105-K107 PolarHBondContact O-N 2.84Å; A105-I108 PolarHBondContact O-N 3.26Å; A105-Q109 PolarHBondContact O-N 2.78Å; A105-N125 HydrophobicContact CB-CB 4.3Å
106L81.6Confident83.5Confident47 Ų4776.9 Ų76.925%0.24638%0.377CS..Hα-helixtrans-59.4-44.6175.2-73.7178.9000112.2F102 I108 Q109 E110F102-L106 HydrophobicContact CD1-CD1 4Å; F102-L106 HydrophobicContact CD1-CG 4.45Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.09Å; F102-L106 HydrophobicContact CE2-CD2 4.49Å; F102-L106 HydrophobicContact CE2-CG 4.4Å; F102-L106 HydrophobicContact CZ-CD1 3.87Å; F102-L106 HydrophobicContact CZ-CD2 4.14Å; F102-L106 HydrophobicContact CZ-CG 4.05Å; F102-L106 PolarHBondContact O-N 3.09Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; L106-Q109 WeakPolarHBondContact O-CB 3.4Å; L106-Q109 PolarHBondContact O-N 2.76Å; L106-Q109 VanDerWaalsContact O-N 3.12Å; L106-E110 PolarHBondContact O-N 3.19Å
107K85.1Confident82.8Confident131 Ų13176.5 Ų76.557%0.5738%0.382SS*.Hα-helixtrans-59.4-42.7176.3-74.2169.4-178.11770112.1E103 R104 A105 Q109 E110 E111E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.37Å; E103-K107 PolarHBondContact O-N 2.82Å; R104-K107 PolarHBondContact O-N 2.87Å; A105-K107 PolarHBondContact O-N 2.84Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 3.27Å; K107-E110 PolarHBondContact O-N 3.07Å; K107-E111 WeakPolarHBondContact O-CB 3.46Å; K107-E111 WeakPolarHBondContact O-CG 3.21Å; K107-E111 PolarHBondContact O-N 3.01Å
108I85.7Confident82.4Confident42 Ų4279.1 Ų79.122%0.21540%0.396CS..Hα-helixtrans-64.5-36.7176-65.7163.3000111.3R104 A105 L106 R112 R122 A126R104-I108 WeakPolarHBondContact O-CG1 3.42Å; R104-I108 PolarHBondContact O-N 2.99Å; R104-I108 VanDerWaalsContact O-N 3.14Å; A105-I108 PolarHBondContact O-N 3.26Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; I108-R112 WeakPolarHBondContact O-CB 3.43Å; I108-R112 PolarHBondContact O-N 3.07Å; I108-R122 HydrophobicContact CG2-CB 4.25Å; I108-A126 HydrophobicContact CD1-CB 4.46Å; I108-A126 HydrophobicContact CG2-CB 3.88Å
109Q81.3Confident82Confident63 Ų6384.6 Ų84.629%0.29442%0.422SS..Hα-helixtrans-66.3-44.5175.8-166.2-173.910.200111.7A105 L106 K107 R112 R113 G129A105-Q109 PolarHBondContact O-N 2.78Å; L106-Q109 WeakPolarHBondContact O-CB 3.4Å; L106-Q109 PolarHBondContact O-N 2.76Å; L106-Q109 VanDerWaalsContact O-N 3.12Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 3.27Å; Q109-R112 PolarHBondContact O-N 3.14Å; Q109-R113 PolarHBondContact O-N 2.98Å; Q109-G129 PolarHBondContact NE2-O 3.04Å
110E82.1Confident82.1Confident107 Ų10788.8 Ų88.850%0.544%0.444SS..Hα-helixtrans-66.5-39.2175.7-67.9-165.913600112L106 K107 R112 R113 K134L106-E110 PolarHBondContact O-N 3.19Å; K107-E110 PolarHBondContact O-N 3.07Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.24Å; E110-R113 VanDerWaalsContact O-CB 3.27Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.02Å; E110-K134 IonicContact OE1-NZ 3.7Å; E110-K134 PolarHBondContact OE1-NZ 2.69Å; E110-K134 VanDerWaalsContact OE1-NZ 3.15Å
111E84.2Confident81.9Confident105 Ų10596 Ų9649%0.49147%0.471SS..Hα-helixtrans-62.2-32.2171.9-82-178.9-154.800113.5K107 R113 K115 R122K107-E111 WeakPolarHBondContact O-CB 3.46Å; K107-E111 WeakPolarHBondContact O-CG 3.21Å; K107-E111 PolarHBondContact O-N 3.01Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-K115 WeakPolarHBondContact O-CD 3.36Å; E111-K115 VanDerWaalsContact O-CE 3.23Å; E111-K115 WeakPolarHBondContact O-CE 3.4Å; E111-K115 PolarHBondContact O-NZ 3.13Å; E111-R122 IonicContact OE2-NH1 2.86Å
112R80Confident81.6Confident79 Ų7996.4 Ų96.430%0.29847%0.469SS..Hα-helixtrans-79.8-17.6179-171.5174178.5-157.9-8.2112.4I108 Q109 E110 G114 K115 E117I108-R112 WeakPolarHBondContact O-CB 3.43Å; I108-R112 PolarHBondContact O-N 3.07Å; Q109-R112 PolarHBondContact O-N 3.14Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.24Å; R112-G114 PolarHBondContact O-N 3.4Å; R112-G114 VanDerWaalsContact O-N 3.11Å; R112-K115 WeakPolarHBondContact O-CB 3.29Å; R112-K115 PolarHBondContact O-N 2.91Å; R112-E117 IonicContact CZ-OE1 3.54Å; R112-E117 IonicContact NH2-OE1 3.15Å; R112-E117 PolarHBondContact NH2-OE1 2.66Å
113R77.3Confident81.6Confident167 Ų16793.9 Ų93.963%0.6346%0.464SS*.THydrogen-bonded Turntrans-59.5114.3-175-166.4-179.573.3163.66.3111.9Q109 E110 E111 E132Q109-R113 PolarHBondContact O-N 2.98Å; E110-R113 VanDerWaalsContact O-CB 3.27Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.02Å; E111-R113 VanDerWaalsContact C-N 3.35Å; R113-E132 WeakPolarHBondContact CD-OE1 3.46Å; R113-E132 IonicContact CZ-OE1 3.83Å; R113-E132 IonicContact NE-OE1 3.42Å; R113-E132 IonicContact NH1-OE1 2.65Å; R113-E132 PolarHBondContact NH1-OE1 2.68Å; R113-E132 IonicContact NH1-OE2 2.8Å
114G77.7Confident81.7Confident87 Ų8798.1 Ų98.190%0.89749%0.486SS*.THydrogen-bonded Turntrans86.63.7-178.300000115.3R112R112-G114 PolarHBondContact O-N 3.4Å; R112-G114 VanDerWaalsContact O-N 3.11Å
115K79.8Confident81.3Confident114 Ų11496.9 Ų96.950%0.49649%0.488SS..  trans-94153169.8-65.1175.1-175.9154.60110.7E111 R112E111-K115 WeakPolarHBondContact O-CD 3.36Å; E111-K115 VanDerWaalsContact O-CE 3.23Å; E111-K115 WeakPolarHBondContact O-CE 3.4Å; E111-K115 PolarHBondContact O-NZ 3.13Å; R112-K115 WeakPolarHBondContact O-CB 3.29Å; R112-K115 PolarHBondContact O-N 2.91Å
116S73.9Confident81Confident93 Ų9397 Ų9765%0.6549%0.489SS*.  trans-63.5175.8169.644.80000112.3D118S116-D118 PolarHBondContact O-N 3.33Å; S116-D118 VanDerWaalsContact O-N 3.13Å
117E75Confident80.4Confident142 Ų142100.7 Ų100.766%0.66450%0.5SS*.  trans-80.193.1174.9-53.4-145.9101.700110.7R112 N119R112-E117 IonicContact CZ-OE1 3.54Å; R112-E117 IonicContact NH2-OE1 3.15Å; R112-E117 PolarHBondContact NH2-OE1 2.66Å; E117-N119 PolarHBondContact O-N 2.99Å
118D80.6Confident79.4Confident64 Ų6496.9 Ų96.934%0.34250%0.499SS..  trans-59.4-11.7-178.9-56.2-22.3000114.6S116 I120 R122S116-D118 PolarHBondContact O-N 3.33Å; S116-D118 VanDerWaalsContact O-N 3.13Å; D118-I120 HydrophobicContact CB-CB 4.42Å; D118-I120 HydrophobicContact CB-CD1 4.18Å; D118-I120 HydrophobicContact CB-CG1 4.31Å; D118-I120 PolarHBondContact O-N 2.8Å; D118-R122 IonicContact OD2-NH2 3.53Å; D118-R122 PolarHBondContact OD2-NH2 3.2Å; D118-R122 VanDerWaalsContact OD2-NH2 3.15Å
119N80.3Confident78.2Confident153 Ų15397.3 Ų97.382%0.81851%0.514SS*.  trans56-0.2-170.1-68.1-42.1000116.7E117E117-N119 PolarHBondContact O-N 2.99Å
120I85.5Confident77Confident110 Ų110103.4 Ų103.456%0.56454%0.539SS*.  trans-73130.6178.1-65.4165.5000111.3D118 R122 Y127D118-I120 HydrophobicContact CB-CB 4.42Å; D118-I120 HydrophobicContact CB-CD1 4.18Å; D118-I120 HydrophobicContact CB-CG1 4.31Å; D118-I120 PolarHBondContact O-N 2.8Å; I120-R122 HydrophobicContact CG2-CG 4.49Å; I120-R122 PolarHBondContact O-N 3.18Å; I120-Y127 PolarHBondContact O-OH 2.93Å
121Y85.1Confident76.1Confident163 Ų163107.2 Ų107.264%0.63955%0.551SS**  trans-74.6114.9175.9-175.9-101.1000112.6M124 Y127Y121-M124 PolarHBondContact OH-N 3.06Å; Y121-M124 VanDerWaalsContact OH-N 3.16Å; Y121-Y127 WeakPolarHBondContact CA-OH 3.4Å; Y121-Y127 AromaticContact CD2-CE2 3.46Å; Y121-Y127 HydrophobicContact CD2-CE2 3.46Å; Y121-Y127 VanDerWaalsContact CD2-CE2 3.46Å; Y121-Y127 AromaticContact CD2-CZ 3.94Å; Y121-Y127 HydrophobicContact CE2-CD2 4.42Å; Y121-Y127 AromaticContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CG-CE2 4.39Å
122R79.6Confident75Confident87 Ų87106.2 Ų106.233%0.32855%0.546SS..  trans-106.717.5-179.8-60.2-172.6-176.9-132.96.5113.9I108 E111 D118 I120 A126I108-R122 HydrophobicContact CG2-CB 4.25Å; E111-R122 IonicContact OE2-NH1 2.86Å; D118-R122 IonicContact OD2-NH2 3.53Å; D118-R122 PolarHBondContact OD2-NH2 3.2Å; D118-R122 VanDerWaalsContact OD2-NH2 3.15Å; I120-R122 HydrophobicContact CG2-CG 4.49Å; I120-R122 PolarHBondContact O-N 3.18Å; R122-A126 HydrophobicContact CB-CB 3.8Å; R122-A126 WeakPolarHBondContact O-CB 3.36Å
123G83.7Confident74Confident23 Ų23104.8 Ų104.824%0.23755%0.548CS..  trans91.7152.5-177.400000113.8N125 A126 Y127G123-N125 VanDerWaalsContact C-N 3.3Å; G123-N125 PolarHBondContact O-N 2.85Å; G123-A126 WeakPolarHBondContact O-CB 3.26Å; G123-A126 PolarHBondContact O-N 3.49Å; G123-Y127 WeakPolarHBondContact O-CD2 3.09Å
124M85.3Confident72.9Confident147 Ų147102.3 Ų102.372%0.72454%0.542SS*.G310 helixtrans-49.7-44.7-172.9-173.4171.969.300113.7Y121 A126 Y127Y121-M124 PolarHBondContact OH-N 3.06Å; Y121-M124 VanDerWaalsContact OH-N 3.16Å; M124-A126 PolarHBondContact O-N 2.94Å; M124-Y127 PolarHBondContact O-N 3.22Å
125N79.3Confident72Confident92 Ų92101.6 Ų101.649%0.49253%0.534SS..G310 helixtrans-74.4-8.9-176.6-59.8-2.3000114.1A105 G123A105-N125 HydrophobicContact CB-CB 4.3Å; G123-N125 VanDerWaalsContact C-N 3.3Å; G123-N125 PolarHBondContact O-N 2.85Å
126A77Confident71.1Confident21 Ų2199 Ų9917%0.17453%0.531CS..G310 helixtrans-86.1-7.4178.100000113.5I108 R122 G123 M124 G128I108-A126 HydrophobicContact CD1-CB 4.46Å; I108-A126 HydrophobicContact CG2-CB 3.88Å; R122-A126 HydrophobicContact CB-CB 3.8Å; R122-A126 WeakPolarHBondContact O-CB 3.36Å; G123-A126 WeakPolarHBondContact O-CB 3.26Å; G123-A126 PolarHBondContact O-N 3.49Å; M124-A126 PolarHBondContact O-N 2.94Å; A126-G128 PolarHBondContact O-N 3.13Å
127Y70.3Confident70.2Confident124 Ų12497.7 Ų97.749%0.48653%0.526SS..SBendtrans-98.572.4-180-71.3-88.1000111.6I120 Y121 G123 M124I120-Y127 PolarHBondContact O-OH 2.93Å; Y121-Y127 WeakPolarHBondContact CA-OH 3.4Å; Y121-Y127 AromaticContact CD2-CE2 3.46Å; Y121-Y127 HydrophobicContact CD2-CE2 3.46Å; Y121-Y127 VanDerWaalsContact CD2-CE2 3.46Å; Y121-Y127 AromaticContact CD2-CZ 3.94Å; Y121-Y127 HydrophobicContact CE2-CD2 4.42Å; Y121-Y127 AromaticContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CE2-CE2 3.74Å; Y121-Y127 HydrophobicContact CG-CE2 4.39Å; G123-Y127 WeakPolarHBondContact O-CD2 3.09Å; M124-Y127 PolarHBondContact O-N 3.22Å
128G64.1Low69.5Low52 Ų5293.8 Ų93.854%0.53651%0.511SS..  trans-165.7132.9176.200000114.1A126A126-G128 PolarHBondContact O-N 3.13Å
129G60.2Low68.3Low51 Ų5191.7 Ų91.753%0.52651%0.505SS..  trans78100.8168.600000115.8Q109 Y131Q109-G129 PolarHBondContact NE2-O 3.04Å; G129-Y131 VanDerWaalsContact C-N 3.26Å
130F56.4Low67.2Low190 Ų19088.2 Ų88.283%0.83349%0.487SS*.SBendtrans-70.1-27.4158.9-179.3-101.4000111.9
131Y63.6Low65.8Low188 Ų18883.3 Ų83.374%0.73746%0.463SS*.SBendtrans-89.4119.5-174.6-57.3-76.5000112G129 S133G129-Y131 VanDerWaalsContact C-N 3.26Å; Y131-S133 PolarHBondContact O-N 3.06Å; Y131-S133 VanDerWaalsContact O-N 3.13Å
132E60.7Low64.5Low83 Ų8378.9 Ų78.939%0.38846%0.455SS..  trans-64.6108.5165.8-67-165.3156.700109.4R113 K134R113-E132 WeakPolarHBondContact CD-OE1 3.46Å; R113-E132 IonicContact CZ-OE1 3.83Å; R113-E132 IonicContact NE-OE1 3.42Å; R113-E132 IonicContact NH1-OE1 2.65Å; R113-E132 PolarHBondContact NH1-OE1 2.68Å; R113-E132 IonicContact NH1-OE2 2.8Å; E132-K134 HydrophobicContact CB-CD 4.29Å; E132-K134 HydrophobicContact CB-CG 4.26Å; E132-K134 PolarHBondContact O-N 2.82Å; E132-K134 IonicContact OE1-NZ 2.82Å; E132-K134 PolarHBondContact OE1-NZ 2.87Å; E132-K134 VanDerWaalsContact OE2-CD 3.27Å; E132-K134 WeakPolarHBondContact OE2-CD 3.46Å; E132-K134 WeakPolarHBondContact OE2-CE 3.46Å; E132-K134 IonicContact OE2-NZ 2.78Å; E132-K134 PolarHBondContact OE2-NZ 3.39Å
133S59.1Low63.6Low50 Ų5080.2 Ų80.235%0.3547%0.469SS..  trans-78.127.7178.954.80000113.5Y131 G135 S136 G139Y131-S133 PolarHBondContact O-N 3.06Å; Y131-S133 VanDerWaalsContact O-N 3.13Å; S133-G135 PolarHBondContact O-N 3.49Å; S133-S136 WeakPolarHBondContact O-CA 3.43Å; S133-S136 VanDerWaalsContact O-CB 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.45Å; S133-S136 PolarHBondContact O-N 3.13Å; S133-G139 VanDerWaalsContact O-CA 3.28Å; S133-G139 WeakPolarHBondContact O-CA 3.44Å; S133-G139 PolarHBondContact O-N 3.08Å; S133-G139 VanDerWaalsContact OG-CA 3.27Å; S133-G139 WeakPolarHBondContact OG-CA 3.13Å; S133-G139 PolarHBondContact OG-N 2.91Å
134K54.6Low62.5Low114 Ų11481.4 Ų81.450%0.49648%0.481SS..THydrogen-bonded Turntrans-63.4124.6-179-68.3176-173.7165.40109.5E110 E132E110-K134 IonicContact OE1-NZ 3.7Å; E110-K134 PolarHBondContact OE1-NZ 2.69Å; E110-K134 VanDerWaalsContact OE1-NZ 3.15Å; E132-K134 HydrophobicContact CB-CD 4.29Å; E132-K134 HydrophobicContact CB-CG 4.26Å; E132-K134 PolarHBondContact O-N 2.82Å; E132-K134 IonicContact OE1-NZ 2.82Å; E132-K134 PolarHBondContact OE1-NZ 2.87Å; E132-K134 VanDerWaalsContact OE2-CD 3.27Å; E132-K134 WeakPolarHBondContact OE2-CD 3.46Å; E132-K134 WeakPolarHBondContact OE2-CE 3.46Å; E132-K134 IonicContact OE2-NZ 2.78Å; E132-K134 PolarHBondContact OE2-NZ 3.39Å
135G58.4Low61.4Low72 Ų7282.2 Ų82.274%0.74249%0.488SS*.THydrogen-bonded Turntrans90.1-14.8-170.800000115.1S133S133-G135 PolarHBondContact O-N 3.49Å
136S59.5Low60.6Low60 Ų6081.7 Ų81.742%0.4249%0.485SS..SBendtrans-85.8152.9163.5173.40000110.3S133 V138 G139 N140S133-S136 WeakPolarHBondContact O-CA 3.43Å; S133-S136 VanDerWaalsContact O-CB 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.45Å; S133-S136 PolarHBondContact O-N 3.13Å; S136-V138 PolarHBondContact O-N 3.11Å; S136-G139 PolarHBondContact O-N 3.32Å; S136-N140 PolarHBondContact O-N 2.77Å
137A56.6Low60.1Low66 Ų6682.8 Ų82.855%0.54548%0.484SS..THydrogen-bonded Turntrans-54.8-24.9176.900000113.2
138V58.7Low60.2Low59 Ų5986.5 Ų86.536%0.35850%0.498SS..THydrogen-bonded Turntrans-76.6-36.8177.6-173.20000112.6S136 A141S136-V138 PolarHBondContact O-N 3.11Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 2.77Å
139G57.1Low61Low21 Ų2186.7 Ų86.722%0.21650%0.5CS..THydrogen-bonded Turntrans-77.2-27.8-179.800000113S133 S136 A141S133-G139 VanDerWaalsContact O-CA 3.28Å; S133-G139 WeakPolarHBondContact O-CA 3.44Å; S133-G139 PolarHBondContact O-N 3.08Å; S133-G139 VanDerWaalsContact OG-CA 3.27Å; S133-G139 WeakPolarHBondContact OG-CA 3.13Å; S133-G139 PolarHBondContact OG-N 2.91Å; S136-G139 PolarHBondContact O-N 3.32Å; G139-A141 PolarHBondContact O-N 2.59Å
140N57.5Low62.3Low80 Ų8089 Ų8943%0.42851%0.505SS..THydrogen-bonded Turntrans-789.1173.3-71.511.7000113.2S136 S142 N143S136-N140 PolarHBondContact O-N 2.77Å; N140-S142 PolarHBondContact O-N 2.78Å; N140-N143 WeakPolarHBondContact O-CB 3.42Å; N140-N143 PolarHBondContact O-N 3Å
141A55.5Low63.6Low7 Ų785.6 Ų85.66%0.05850%0.495CS..THydrogen-bonded Turntrans-70.26.1179.800000115F102 V138 G139 R147F102-A141 HydrophobicContact CE1-CB 3.78Å; F102-A141 HydrophobicContact CZ-CB 3.84Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 2.77Å; G139-A141 PolarHBondContact O-N 2.59Å; A141-R147 WeakPolarHBondContact O-CD 3.4Å; A141-R147 VanDerWaalsContact O-CG 3.25Å; A141-R147 WeakPolarHBondContact O-CG 3.25Å; A141-R147 PolarHBondContact O-NE 2.89Å
142S57.1Low64.7Low70 Ų7080 Ų8049%0.4947%0.473SS..THydrogen-bonded Turntrans-77.4-26.8160.356.30000112.2N140 R147N140-S142 PolarHBondContact O-N 2.78Å; S142-R147 VanDerWaalsContact O-CZ 3.28Å; S142-R147 PolarHBondContact O-NE 2.82Å; S142-R147 VanDerWaalsContact O-NE 3.14Å; S142-R147 PolarHBondContact O-NH2 2.65Å
143N60.3Low66Low114 Ų11477.3 Ų77.361%0.6146%0.464SS*.SBendtrans-80.9142.5177.7-163.90000111.3N140 L145 N146 R147N140-N143 WeakPolarHBondContact O-CB 3.42Å; N140-N143 PolarHBondContact O-N 3Å; N143-L145 VanDerWaalsContact C-N 3.3Å; N143-L145 PolarHBondContact O-N 2.73Å; N143-L145 VanDerWaalsContact O-N 3.14Å; N143-N146 PolarHBondContact O-N 2.84Å; N143-R147 VanDerWaalsContact O-CG 3.32Å; N143-R147 WeakPolarHBondContact O-CG 3.15Å
144G60.8Low67.5Low48 Ų4878 Ų7850%0.49547%0.467SS..THydrogen-bonded Turntrans-61.6-27.8-162.700000116.1
145L62.7Low69.2Low165 Ų16574.5 Ų74.586%0.86446%0.456SS*.THydrogen-bonded Turntrans-82.1-24.2-176.3-10564.5000114.8N143N143-L145 VanDerWaalsContact C-N 3.3Å; N143-L145 PolarHBondContact O-N 2.73Å; N143-L145 VanDerWaalsContact O-N 3.14Å
146N62.4Low70.7Confident80 Ų8080.3 Ų80.343%0.42846%0.457SS..SBendtrans-111.413.2-170.9-70.610.5000113.4N143N143-N146 PolarHBondContact O-N 2.84Å
147R67.6Low72.1Confident45 Ų4581.5 Ų81.517%0.1746%0.458CS..  trans-71.2133.8-179.9-58.9-132.4180-1744.5110.6Q99 E103 A141 S142 N143 L151Q99-R147 VanDerWaalsContact CB-NH1 3.32Å; E103-R147 IonicContact OE1-CZ 3.75Å; E103-R147 IonicContact OE1-NH1 3.69Å; E103-R147 PolarHBondContact OE1-NH1 3.36Å; E103-R147 IonicContact OE1-NH2 2.77Å; E103-R147 PolarHBondContact OE1-NH2 2.78Å; A141-R147 WeakPolarHBondContact O-CD 3.4Å; A141-R147 VanDerWaalsContact O-CG 3.25Å; A141-R147 WeakPolarHBondContact O-CG 3.25Å; A141-R147 PolarHBondContact O-NE 2.89Å; S142-R147 VanDerWaalsContact O-CZ 3.28Å; S142-R147 PolarHBondContact O-NE 2.82Å; S142-R147 VanDerWaalsContact O-NE 3.14Å; S142-R147 PolarHBondContact O-NH2 2.65Å; N143-R147 VanDerWaalsContact O-CG 3.32Å; N143-R147 WeakPolarHBondContact O-CG 3.15Å; R147-L151 HydrophobicContact CB-CD2 3.81Å
148R71.2Confident73.7Confident202 Ų20287.6 Ų87.676%0.76247%0.466SS*.  trans-99.5146.3170.4-65.4-160.6-65-1372.8110.9
149G80.4Confident75.3Confident56 Ų5692.2 Ų92.258%0.57748%0.477SS*.SBendtrans92.2-172.3-173.600000112.7
150P88.2Confident77Confident99 Ų9997.3 Ų97.364%0.64350%0.504SS*.SBendtrans-58.6138.1-178.7-23.633.7000112.2S98S98-P150 PolarHBondContact OG-O 3.42Å
151L84.4Confident78.8Confident118 Ų11899.1 Ų99.162%0.61852%0.518SS*.PPolyproline II helixtrans-95.4140.3179-63.1176.3000110.8R147 A153R147-L151 HydrophobicContact CB-CD2 3.81Å; L151-A153 PolarHBondContact O-N 2.67Å
152R86.3Confident80.6Confident71 Ų71107.2 Ų107.227%0.26855%0.547SS..PPolyproline II helixtrans-69.5123.6172.6178.5-176.6-71.9144.5-12109.8R94 D97 Q99 E103R94-R152 PolarHBondContact O-NH2 3.42Å; R94-R152 VanDerWaalsContact O-NH2 3.07Å; D97-R152 IonicContact OD1-CZ 3Å; D97-R152 IonicContact OD1-NE 2.82Å; D97-R152 IonicContact OD1-NH2 2.73Å; D97-R152 PolarHBondContact OD1-NH2 3.45Å; D97-R152 IonicContact OD2-CZ 3.63Å; D97-R152 VanDerWaalsContact OD2-CZ 3.23Å; D97-R152 IonicContact OD2-NE 2.84Å; D97-R152 PolarHBondContact OD2-NE 2.94Å; D97-R152 IonicContact OD2-NH2 2.78Å; D97-R152 PolarHBondContact OD2-NH2 3Å; Q99-R152 VanDerWaalsContact CD-CB 3.42Å; Q99-R152 HydrophobicContact CG-CB 4.2Å; Q99-R152 VanDerWaalsContact NE2-N 3.15Å; Q99-R152 VanDerWaalsContact OE1-CB 3.26Å; E103-R152 IonicContact OE1-NH1 2.7Å
153A88.3Confident82.4Confident26 Ų26113 Ų11322%0.21556%0.559CS.*PPolyproline II helixtrans-70.5155.2176.600000112.5D91 L151 V155D91-A153 WeakPolarHBondContact OD2-CB 3.07Å; L151-A153 PolarHBondContact O-N 2.67Å; A153-V155 PolarHBondContact O-N 3.19Å
154P89.7Confident84Confident64 Ų64112.6 Ų112.642%0.41656%0.556SS.*  trans-72.9110.8172.829.5-33.9000111.1Y156 I157P154-Y156 VanDerWaalsContact C-N 3.28Å; P154-Y156 PolarHBondContact O-N 2.86Å; P154-I157 HydrophobicContact CB-CB 4.22Å; P154-I157 HydrophobicContact CB-CD1 3.83Å; P154-I157 HydrophobicContact CB-CG1 4.01Å; P154-I157 HydrophobicContact CG-CB 4.13Å; P154-I157 HydrophobicContact CG-CD1 4.12Å; P154-I157 HydrophobicContact CG-CG1 4.38Å; P154-I157 PolarHBondContact O-N 3.3Å
155V91Very high85.5Confident41 Ų41115.1 Ų115.125%0.24855%0.551CS.*THydrogen-bonded Turntrans-60.6-32.5-174.2-178.90000113.7F88 A153F88-V155 PolarHBondContact N-O 3.22Å; A153-V155 PolarHBondContact O-N 3.19Å
156Y89.9Confident86.8Confident195 Ų195115.6 Ų115.677%0.76554%0.542SS*.THydrogen-bonded Turntrans-98.814.4-172.555.8-93.7000113.9P154P154-Y156 VanDerWaalsContact C-N 3.28Å; P154-Y156 PolarHBondContact O-N 2.86Å
157I89.5Confident88.2Confident85 Ų85114.6 Ų114.644%0.43654%0.54SS..  trans-124.3106.1-177.8-54.6-178.2000110.1P154 R159P154-I157 HydrophobicContact CB-CB 4.22Å; P154-I157 HydrophobicContact CB-CD1 3.83Å; P154-I157 HydrophobicContact CB-CG1 4.01Å; P154-I157 HydrophobicContact CG-CB 4.13Å; P154-I157 HydrophobicContact CG-CD1 4.12Å; P154-I157 HydrophobicContact CG-CG1 4.38Å; P154-I157 PolarHBondContact O-N 3.3Å; I157-R159 PolarHBondContact O-N 3.29Å
158R90Very high89.4Confident193 Ų193117 Ų11773%0.72856%0.556SS**  trans-65.2128.9165.873.1-176.3-175.290.8-0.2109.6
159R90.8Very high90.4Very high157 Ų157109.5 Ų109.559%0.59253%0.531SS*.  trans-72.1134.4173.3-65.2-174-74.7-99.37.9109.3I157 V161I157-R159 PolarHBondContact O-N 3.29Å; R159-V161 PolarHBondContact O-N 3.22Å
160T94.2Very high91.1Very high127 Ų127107 Ų10778%0.77950%0.504SS*.  trans-76108.5173.848.50000109.6
161V94.1Very high91.3Very high119 Ų119108.2 Ų108.272%0.72150%0.499SS*.  trans-85.3136.5175.2-177.90000109.5R159R159-V161 PolarHBondContact O-N 3.22Å
162R94.7Very high91.8Very high176 Ų176106 Ų10666%0.66449%0.488SS*.  trans-128.8128.7165.8-179.1-170.863.483.8-9.8107.1D164R162-D164 IonicContact CZ-OD2 3.79Å; R162-D164 VanDerWaalsContact CZ-OD2 3.26Å; R162-D164 IonicContact NH1-OD1 3.28Å; R162-D164 PolarHBondContact NH1-OD1 2.99Å; R162-D164 IonicContact NH1-OD2 3.12Å; R162-D164 PolarHBondContact NH1-OD2 3.33Å; R162-D164 IonicContact NH2-OD2 2.65Å; R162-D164 PolarHBondContact NH2-OD2 3.37Å
163W93.6Very high92.2Very high193 Ų193105 Ų10573%0.73149%0.485SS*.  trans-70.1137.6169.4-58109.7000110Y165W163-Y165 HydrophobicContact CB-CD2 4.12Å; W163-Y165 HydrophobicContact CB-CE2 3.63Å; W163-Y165 HydrophobicContact CG-CE2 4.43Å
164D94.3Very high92.5Very high104 Ų104107.2 Ų107.256%0.55649%0.49SS*.  trans-106.4106.4169.5-142.4-34.1000110R162 R166R162-D164 IonicContact CZ-OD2 3.79Å; R162-D164 VanDerWaalsContact CZ-OD2 3.26Å; R162-D164 IonicContact NH1-OD1 3.28Å; R162-D164 PolarHBondContact NH1-OD1 2.99Å; R162-D164 IonicContact NH1-OD2 3.12Å; R162-D164 PolarHBondContact NH1-OD2 3.33Å; R162-D164 IonicContact NH2-OD2 2.65Å; R162-D164 PolarHBondContact NH2-OD2 3.37Å; D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact OD1-N 3.17Å
165Y91.6Very high92.5Very high101 Ų101110.2 Ų110.240%0.39650%0.498SS..  trans-88.93.3-178.6-67.5-80.2000112.6W163 P167 W198 E201W163-Y165 HydrophobicContact CB-CD2 4.12Å; W163-Y165 HydrophobicContact CB-CE2 3.63Å; W163-Y165 HydrophobicContact CG-CE2 4.43Å; Y165-P167 VanDerWaalsContact O-CD 3.29Å; Y165-P167 WeakPolarHBondContact O-CD 3.4Å; Y165-W198 HydrophobicContact CD1-CB 4.06Å; Y165-W198 HydrophobicContact CD1-CG 4.47Å; Y165-W198 HydrophobicContact CE1-CB 4.03Å; Y165-E201 WeakPolarHBondContact CE1-OE1 3.35Å; Y165-E201 PolarHBondContact OH-OE1 2.83Å; Y165-E201 PolarHBondContact OH-OE2 3.29Å
166R90.5Very high92.6Very high175 Ų175113 Ų11366%0.6652%0.515SS*.  trans-94.3108.4175178.5-176.4165.2172.1-2.7110D164D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact OD1-N 3.17Å
167P91.5Very high92.7Very high60 Ų60104.8 Ų104.839%0.3949%0.49SS..  trans-78.9139.7171.432.8-34.6000111.1Y165 I169Y165-P167 VanDerWaalsContact O-CD 3.29Å; Y165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-I169 HydrophobicContact CB-CD1 3.88Å; P167-I169 HydrophobicContact CB-CG1 4.06Å; P167-I169 HydrophobicContact CG-CD1 4.38Å; P167-I169 PolarHBondContact O-N 2.91Å; P167-I169 VanDerWaalsContact O-N 3.11Å
168D93.2Very high92.9Very high95 Ų95107.8 Ų107.851%0.50850%0.5SS..  trans-85.853.5172.5-72.4-45.9000111.4F187 L188D168-F187 HydrophobicContact CB-CD1 4.15Å; D168-F187 CarbonylContact O-C 3.55Å; D168-F187 WeakPolarHBondContact O-CA 3.07Å; D168-L188 WeakPolarHBondContact O-CB 3.24Å; D168-L188 PolarHBondContact O-N 3.02Å
169I92.6Very high93.1Very high45 Ų4598.8 Ų98.823%0.23147%0.467CS..BIsolated β-bridgetrans-93.2139.7178.5-67.1167.3000110.4P167 K171 K174P167-I169 HydrophobicContact CB-CD1 3.88Å; P167-I169 HydrophobicContact CB-CG1 4.06Å; P167-I169 HydrophobicContact CG-CD1 4.38Å; P167-I169 PolarHBondContact O-N 2.91Å; P167-I169 VanDerWaalsContact O-N 3.11Å; I169-K171 PolarHBondContact O-N 3.06Å; I169-K171 VanDerWaalsContact O-N 3.13Å; I169-K174 HydrophobicContact CG2-CB 4.22Å; I169-K174 HydrophobicContact CG2-CD 4.09Å
170C94.4Very high93.3Very high4 Ų494.4 Ų94.43%0.02747%0.47CS..  trans-72.6105.1177.3-174.30000110.7D172 Y173 K174 C185 F187 L188C170-D172 VanDerWaalsContact C-N 3.34Å; C170-D172 PolarHBondContact O-N 2.88Å; C170-Y173 PolarHBondContact O-N 3.3Å; C170-K174 PolarHBondContact O-N 3.28Å; C170-C185 VanDerWaalsContact SG-SG 3.68Å; C170-F187 HydrophobicContact CB-CB 3.83Å; C170-L188 PolarHBondContact N-O 3.31Å
171K92.5Very high93.3Very high123 Ų12395.2 Ų95.254%0.53546%0.463SS..Hα-helixtrans-48.4-52.6177.6-177.4-169.9175.1-60.10112.4I169 Y173 K174 E175I169-K171 PolarHBondContact O-N 3.06Å; I169-K171 VanDerWaalsContact O-N 3.13Å; K171-Y173 VanDerWaalsContact C-N 3.33Å; K171-Y173 PolarHBondContact O-N 3.42Å; K171-K174 PolarHBondContact O-N 2.99Å; K171-E175 WeakPolarHBondContact CE-OE1 3.19Å; K171-E175 WeakPolarHBondContact CG-OE1 3.49Å; K171-E175 IonicContact NZ-OE1 2.77Å; K171-E175 PolarHBondContact NZ-OE1 3.34Å; K171-E175 IonicContact NZ-OE2 3.21Å; K171-E175 PolarHBondContact NZ-OE2 3.14Å; K171-E175 PolarHBondContact O-N 2.8Å
172D94.6Very high93.2Very high72 Ų7291 Ų9139%0.38545%0.445SS..Hα-helixtrans-64.7-38.8-174.3-52.9-29.5000111.5C170 T176 F178C170-D172 VanDerWaalsContact C-N 3.34Å; C170-D172 PolarHBondContact O-N 2.88Å; D172-T176 WeakPolarHBondContact O-CB 3.49Å; D172-T176 PolarHBondContact O-N 3.38Å; D172-T176 PolarHBondContact O-OG1 2.78Å; D172-F178 CarbonylContact C-O 3.36Å
173Y95.3Very high93.1Very high51 Ų5190.5 Ų90.520%0.246%0.455CS..Hα-helixtrans-69.3-39175.8-167.7-94.8000112.6C170 K171 G177 C179 H189 R191C170-Y173 PolarHBondContact O-N 3.3Å; K171-Y173 VanDerWaalsContact C-N 3.33Å; K171-Y173 PolarHBondContact O-N 3.42Å; Y173-G177 WeakPolarHBondContact O-CA 3.48Å; Y173-G177 PolarHBondContact O-N 3.34Å; Y173-C179 HydrophobicContact CD2-CB 4.3Å; Y173-H189 HydrophobicContact CD1-CB 3.76Å; Y173-H189 HydrophobicContact CD2-CB 4.29Å; Y173-H189 AromaticContact CD2-CD2 3.94Å; Y173-H189 AromaticContact CD2-CG 3.87Å; Y173-H189 HydrophobicContact CE1-CB 3.69Å; Y173-H189 WeakPolarHBondContact CE1-O 3.42Å; Y173-H189 HydrophobicContact CE2-CB 4.23Å; Y173-H189 HydrophobicContact CG-CB 4.06Å; Y173-H189 AromaticContact CG-CD2 3.75Å; Y173-H189 AromaticContact CG-CG 3.88Å; Y173-R191 HydrophobicContact CD1-CG 4.08Å; Y173-R191 HydrophobicContact CE1-CG 3.94Å; Y173-R191 VanDerWaalsContact CZ-CZ 3.44Å; Y173-R191 PolarHBondContact OH-NH1 2.89Å; Y173-R191 PolarHBondContact OH-NH2 3.12Å
174K93.5Very high93.1Very high72 Ų7286.3 Ų86.331%0.31346%0.455SS..Hα-helixtrans-67.5-43.7177.5178.6161172.7163.60111.9I169 C170 K171 S192I169-K174 HydrophobicContact CG2-CB 4.22Å; I169-K174 HydrophobicContact CG2-CD 4.09Å; C170-K174 PolarHBondContact O-N 3.28Å; K171-K174 PolarHBondContact O-N 2.99Å; K174-S192 WeakPolarHBondContact CE-O 3.47Å; K174-S192 PolarHBondContact NZ-O 3.04Å
175E90.9Very high93.1Very high127 Ų12782.5 Ų82.559%0.59344%0.437SS*.Hα-helixtrans-80.7-45.1-177.4-71.3173.1-156.600113.9K171K171-E175 WeakPolarHBondContact CE-OE1 3.19Å; K171-E175 WeakPolarHBondContact CG-OE1 3.49Å; K171-E175 IonicContact NZ-OE1 2.77Å; K171-E175 PolarHBondContact NZ-OE1 3.34Å; K171-E175 IonicContact NZ-OE2 3.21Å; K171-E175 PolarHBondContact NZ-OE2 3.14Å; K171-E175 PolarHBondContact O-N 2.8Å
176T92.3Very high93.3Very high98 Ų9884.8 Ų84.860%0.60145%0.454SS*.Hα-helixtrans-104.5-15.1-171.875.80000113.5D172 F178D172-T176 WeakPolarHBondContact O-CB 3.49Å; D172-T176 PolarHBondContact O-N 3.38Å; D172-T176 PolarHBondContact O-OG1 2.78Å; T176-F178 PolarHBondContact O-N 3.43Å; T176-F178 PolarHBondContact OG1-N 2.97Å; T176-F178 VanDerWaalsContact OG1-N 3.09Å; T176-F178 PolarHBondContact OG1-O 2.96Å; T176-F178 VanDerWaalsContact OG1-O 3.07Å
177G92.3Very high93.5Very high24 Ų2480 Ų8025%0.24744%0.438CS..SBendtrans75.52.2-169.300000115.4Y173 R191Y173-G177 WeakPolarHBondContact O-CA 3.48Å; Y173-G177 PolarHBondContact O-N 3.34Å; G177-R191 PolarHBondContact O-NH2 3.37Å
178F93.2Very high93.6Very high147 Ų14782.4 Ų82.465%0.64545%0.447SS*.  trans-129.2133.2178.7-179.5-103000111.2D172 T176D172-F178 CarbonylContact C-O 3.36Å; T176-F178 PolarHBondContact O-N 3.43Å; T176-F178 PolarHBondContact OG1-N 2.97Å; T176-F178 VanDerWaalsContact OG1-N 3.09Å; T176-F178 PolarHBondContact OG1-O 2.96Å; T176-F178 VanDerWaalsContact OG1-O 3.07Å
179C95.7Very high93.6Very high4 Ų480.5 Ų80.53%0.02744%0.435CS..  trans-109.5126.6169.3-173.20000109.4Y173 F181 G182 C185 H189Y173-C179 HydrophobicContact CD2-CB 4.3Å; C179-F181 PolarHBondContact O-N 3.38Å; C179-F181 VanDerWaalsContact O-N 3.13Å; C179-G182 PolarHBondContact O-N 3.36Å; C179-C185 VanDerWaalsContact SG-SG 3.66Å; C179-H189 VanDerWaalsContact CB-NE2 3.25Å; C179-H189 WeakPolarHBondContact CB-NE2 3.29Å
180G94.1Very high93.6Very high65 Ų6581.1 Ų81.167%0.6744%0.439SS*.THydrogen-bonded Turntrans-62.7-17.6177.100000114.6
181F94.4Very high93.4Very high144 Ų14487 Ų8763%0.63246%0.46SS*.THydrogen-bonded Turntrans-89.4-9.1175.3-57.2-73.6000113.7C179 S184 C185C179-F181 PolarHBondContact O-N 3.38Å; C179-F181 VanDerWaalsContact O-N 3.13Å; F181-S184 WeakPolarHBondContact O-CB 3.25Å; F181-S184 PolarHBondContact O-N 3.03Å; F181-S184 VanDerWaalsContact O-N 3.14Å; F181-C185 HydrophobicContact CB-CB 4.22Å
182G92.2Very high93.3Very high32 Ų3282.4 Ų82.433%0.3344%0.444SS..G310 helixtrans50.2-143.3-171.300000112.1C179 S184 C185 H189C179-G182 PolarHBondContact O-N 3.36Å; G182-S184 PolarHBondContact O-N 3.3Å; G182-C185 WeakPolarHBondContact O-CB 3.33Å; G182-C185 PolarHBondContact O-N 3.32Å; G182-C185 VanDerWaalsContact O-N 3.07Å; G182-H189 PolarHBondContact O-CE1 2.76Å
183D92.2Very high92.9Very high164 Ų16485.7 Ų85.788%0.87746%0.462SS*.G310 helixtrans-68.52.4-179.7-52-38.7000114.3C185D183-C185 VanDerWaalsContact C-N 3.33Å
184S94.6Very high92.6Very high105 Ų10592.1 Ų92.173%0.73449%0.487SS*.G310 helixtrans-90.44170.6-52.50000112.7F181 G182F181-S184 WeakPolarHBondContact O-CB 3.25Å; F181-S184 PolarHBondContact O-N 3.03Å; F181-S184 VanDerWaalsContact O-N 3.14Å; G182-S184 PolarHBondContact O-N 3.3Å
185C94.3Very high92.4Very high25 Ų2591.9 Ų91.917%0.16949%0.486CS..  trans-66.6134.7175.5-159.80000111.4C170 C179 F181 G182 D183 F187 H189C170-C185 VanDerWaalsContact SG-SG 3.68Å; C179-C185 VanDerWaalsContact SG-SG 3.66Å; F181-C185 HydrophobicContact CB-CB 4.22Å; G182-C185 WeakPolarHBondContact O-CB 3.33Å; G182-C185 PolarHBondContact O-N 3.32Å; G182-C185 VanDerWaalsContact O-N 3.07Å; D183-C185 VanDerWaalsContact C-N 3.33Å; C185-F187 VanDerWaalsContact C-N 3.25Å; C185-F187 PolarHBondContact O-N 2.81Å; C185-H189 WeakPolarHBondContact CB-NE2 3.44Å
186I94.6Very high92.4Very high148 Ų14888.7 Ų88.776%0.75947%0.471SS*.SBendtrans-79.2-8.617464.5171.8000113.3
187F94.5Very high92.3Very high76 Ų7685.8 Ų85.833%0.33346%0.46SS..SBendtrans-108.1147.4-176.6-56.6-67000110.9D168 C170 C185 H189D168-F187 HydrophobicContact CB-CD1 4.15Å; D168-F187 CarbonylContact O-C 3.55Å; D168-F187 WeakPolarHBondContact O-CA 3.07Å; C170-F187 HydrophobicContact CB-CB 3.83Å; C185-F187 VanDerWaalsContact C-N 3.25Å; C185-F187 PolarHBondContact O-N 2.81Å; F187-H189 PolarHBondContact O-N 2.91Å
188L93.2Very high92.3Very high109 Ų10989.3 Ų89.357%0.57147%0.466SS*.BIsolated β-bridgetrans-62.3127.6-176.5-174.465000111.9D168 C170 D190D168-L188 WeakPolarHBondContact O-CB 3.24Å; D168-L188 PolarHBondContact O-N 3.02Å; C170-L188 PolarHBondContact N-O 3.31Å; L188-D190 VanDerWaalsContact C-N 3.26Å; L188-D190 HydrophobicContact CD2-CB 4.17Å; L188-D190 HydrophobicContact CG-CB 4.16Å; L188-D190 PolarHBondContact O-N 3.33Å
189H94.6Very high92.2Very high56 Ų5684.7 Ų84.726%0.25945%0.446SS..  trans-82.367.4174-77.5-179.5000111.7Y173 C179 G182 C185 F187Y173-H189 HydrophobicContact CD1-CB 3.76Å; Y173-H189 HydrophobicContact CD2-CB 4.29Å; Y173-H189 AromaticContact CD2-CD2 3.94Å; Y173-H189 AromaticContact CD2-CG 3.87Å; Y173-H189 HydrophobicContact CE1-CB 3.69Å; Y173-H189 WeakPolarHBondContact CE1-O 3.42Å; Y173-H189 HydrophobicContact CE2-CB 4.23Å; Y173-H189 HydrophobicContact CG-CB 4.06Å; Y173-H189 AromaticContact CG-CD2 3.75Å; Y173-H189 AromaticContact CG-CG 3.88Å; C179-H189 VanDerWaalsContact CB-NE2 3.25Å; C179-H189 WeakPolarHBondContact CB-NE2 3.29Å; G182-H189 PolarHBondContact O-CE1 2.76Å; C185-H189 WeakPolarHBondContact CB-NE2 3.44Å; F187-H189 PolarHBondContact O-N 2.91Å
190D92.2Very high92Very high57 Ų5787.3 Ų87.331%0.30546%0.46SS..  trans-108148.2172-169.911.3000111L188 S192L188-D190 VanDerWaalsContact C-N 3.26Å; L188-D190 HydrophobicContact CD2-CB 4.17Å; L188-D190 HydrophobicContact CG-CB 4.16Å; L188-D190 PolarHBondContact O-N 3.33Å; D190-S192 WeakPolarHBondContact OD1-CB 3.45Å; D190-S192 PolarHBondContact OD1-N 3.48Å; D190-S192 WeakPolarHBondContact OD2-CB 3.35Å; D190-S192 PolarHBondContact OD2-OG 3.21Å
191R91Very high91.9Very high127 Ų12789 Ų8948%0.47945%0.45SS..  trans-113.61.7171.3-66.9-169.4-169.576.32.4113Y173 G177 D193Y173-R191 HydrophobicContact CD1-CG 4.08Å; Y173-R191 HydrophobicContact CE1-CG 3.94Å; Y173-R191 VanDerWaalsContact CZ-CZ 3.44Å; Y173-R191 PolarHBondContact OH-NH1 2.89Å; Y173-R191 PolarHBondContact OH-NH2 3.12Å; G177-R191 PolarHBondContact O-NH2 3.37Å; R191-D193 PolarHBondContact O-N 3.42Å
192S89.9Confident91.8Very high28 Ų2888.7 Ų88.720%0.19645%0.445CS..  trans-57.8138.9178.2770000111.9K174 D190K174-S192 WeakPolarHBondContact CE-O 3.47Å; K174-S192 PolarHBondContact NZ-O 3.04Å; D190-S192 WeakPolarHBondContact OD1-CB 3.45Å; D190-S192 PolarHBondContact OD1-N 3.48Å; D190-S192 WeakPolarHBondContact OD2-CB 3.35Å; D190-S192 PolarHBondContact OD2-OG 3.21Å
193D86.9Confident91.7Very high141 Ų14188.6 Ų88.675%0.75444%0.436SS*.  trans-109.216.5-175.260.5-24.5000112.7R191R191-D193 PolarHBondContact O-N 3.42Å
194Y87.9Confident91.7Very high185 Ų18589.5 Ų89.573%0.72543%0.427SS*.PPolyproline II helixtrans-53.6138.1175.9-59.6-56.7000112.7
195K88.8Confident91.6Very high67 Ų6792.5 Ų92.529%0.29143%0.43SS..PPolyproline II helixtrans-61.7137.6175.7-61.6-177.4179.9-170.20111.1E199 L200 E203 E212K195-E199 VanDerWaalsContact CA-OE2 3.24Å; K195-E199 WeakPolarHBondContact CA-OE2 3.42Å; K195-E199 HydrophobicContact CB-CB 4.32Å; K195-L200 HydrophobicContact CB-CD2 3.66Å; K195-L200 HydrophobicContact CB-CG 4Å; K195-L200 HydrophobicContact CD-CD2 3.81Å; K195-L200 HydrophobicContact CG-CD2 4.34Å; K195-E203 WeakPolarHBondContact CD-OE1 3.4Å; K195-E203 WeakPolarHBondContact CE-OE1 3.24Å; K195-E203 IonicContact NZ-OE1 3.54Å; K195-E203 PolarHBondContact NZ-OE1 3.08Å; K195-E203 IonicContact NZ-OE2 2.8Å; K195-E203 PolarHBondContact NZ-OE2 2.97Å; K195-E212 IonicContact NZ-OE2 3.99Å; K195-E212 PolarHBondContact NZ-OE2 3.18Å
196H90.7Very high91.5Very high60 Ų6097.6 Ų97.628%0.27846%0.455SS..PPolyproline II helixtrans-71.3156.5176.8-5996.9000111.5W198 E199 L200H196-W198 VanDerWaalsContact C-N 3.27Å; H196-W198 HydrophobicContact CB-CG 4.42Å; H196-W198 AromaticContact CG-NE1 3.85Å; H196-W198 PolarHBondContact O-N 3.13Å; H196-E199 HydrophobicContact CB-CG 4.22Å; H196-E199 IonicContact CE1-OE1 3.69Å; H196-E199 IonicContact CG-OE1 2.94Å; H196-E199 IonicContact CG-OE2 3.99Å; H196-E199 PolarHBondContact N-OE2 2.92Å; H196-E199 VanDerWaalsContact ND1-CD 3.31Å; H196-E199 IonicContact ND1-OE1 2.98Å; H196-E199 PolarHBondContact ND1-OE1 3.25Å; H196-E199 IonicContact ND1-OE2 3.12Å; H196-E199 PolarHBondContact ND1-OE2 3.14Å; H196-E199 WeakPolarHBondContact O-CA 3.45Å; H196-E199 WeakPolarHBondContact O-CB 3.48Å; H196-E199 PolarHBondContact O-N 3.33Å; H196-L200 PolarHBondContact O-N 3.02Å
197G91.8Very high91.1Very high37 Ų3792.4 Ų92.438%0.38144%0.437SS..Hα-helixtrans-51.5-42.5178.300000113.8E199 L200 E201G197-E199 VanDerWaalsContact C-N 3.3Å; G197-E199 PolarHBondContact O-N 3.39Å; G197-L200 PolarHBondContact O-N 2.72Å; G197-E201 WeakPolarHBondContact O-CB 3.43Å; G197-E201 VanDerWaalsContact O-CG 3.24Å; G197-E201 WeakPolarHBondContact O-CG 3.32Å; G197-E201 PolarHBondContact O-N 3.35Å
198W91.2Very high90.6Very high98 Ų9894.8 Ų94.837%0.37144%0.444SS..Hα-helixtrans-70-2217868.9-95.6000114.2Y165 H196 R202Y165-W198 HydrophobicContact CD1-CB 4.06Å; Y165-W198 HydrophobicContact CD1-CG 4.47Å; Y165-W198 HydrophobicContact CE1-CB 4.03Å; H196-W198 VanDerWaalsContact C-N 3.27Å; H196-W198 HydrophobicContact CB-CG 4.42Å; H196-W198 AromaticContact CG-NE1 3.85Å; H196-W198 PolarHBondContact O-N 3.13Å; W198-R202 VanDerWaalsContact CZ3-NH2 3.33Å; W198-R202 WeakPolarHBondContact O-CB 3.45Å; W198-R202 PolarHBondContact O-N 3.23Å
199E91Very high90.1Very high50 Ų5095.4 Ų95.423%0.23444%0.439CS..Hα-helixtrans-76.9-44.6173.4-65.4160.6-172.200109.2K195 H196 G197 R202 E203K195-E199 VanDerWaalsContact CA-OE2 3.24Å; K195-E199 WeakPolarHBondContact CA-OE2 3.42Å; K195-E199 HydrophobicContact CB-CB 4.32Å; H196-E199 HydrophobicContact CB-CG 4.22Å; H196-E199 IonicContact CE1-OE1 3.69Å; H196-E199 IonicContact CG-OE1 2.94Å; H196-E199 IonicContact CG-OE2 3.99Å; H196-E199 PolarHBondContact N-OE2 2.92Å; H196-E199 VanDerWaalsContact ND1-CD 3.31Å; H196-E199 IonicContact ND1-OE1 2.98Å; H196-E199 PolarHBondContact ND1-OE1 3.25Å; H196-E199 IonicContact ND1-OE2 3.12Å; H196-E199 PolarHBondContact ND1-OE2 3.14Å; H196-E199 WeakPolarHBondContact O-CA 3.45Å; H196-E199 WeakPolarHBondContact O-CB 3.48Å; H196-E199 PolarHBondContact O-N 3.33Å; G197-E199 VanDerWaalsContact C-N 3.3Å; G197-E199 PolarHBondContact O-N 3.39Å; E199-R202 PolarHBondContact O-N 3.14Å; E199-E203 WeakPolarHBondContact O-CG 3.48Å; E199-E203 PolarHBondContact O-N 3.05Å
200L91.4Very high89.3Confident60 Ų6093.8 Ų93.831%0.31444%0.438SS..Hα-helixtrans-64.8-42.3175.2-61.5-179.3000112.6K195 H196 G197 R202 E203 W204 Y209K195-L200 HydrophobicContact CB-CD2 3.66Å; K195-L200 HydrophobicContact CB-CG 4Å; K195-L200 HydrophobicContact CD-CD2 3.81Å; K195-L200 HydrophobicContact CG-CD2 4.34Å; H196-L200 PolarHBondContact O-N 3.02Å; G197-L200 PolarHBondContact O-N 2.72Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 3.48Å; L200-E203 PolarHBondContact O-N 3.45Å; L200-W204 WeakPolarHBondContact O-CB 3.45Å; L200-W204 PolarHBondContact O-N 3.33Å; L200-Y209 HydrophobicContact CB-CE2 4.42Å; L200-Y209 HydrophobicContact CD2-CD2 4.22Å; L200-Y209 HydrophobicContact CD2-CE2 4Å
201E92.2Very high88.5Confident99 Ų9996.7 Ų96.746%0.46345%0.448SS..Hα-helixtrans-55.1-46172.5-75.4167-138.600110.6Y165 G197 W204 E205Y165-E201 WeakPolarHBondContact CE1-OE1 3.35Å; Y165-E201 PolarHBondContact OH-OE1 2.83Å; Y165-E201 PolarHBondContact OH-OE2 3.29Å; G197-E201 WeakPolarHBondContact O-CB 3.43Å; G197-E201 VanDerWaalsContact O-CG 3.24Å; G197-E201 WeakPolarHBondContact O-CG 3.32Å; G197-E201 PolarHBondContact O-N 3.35Å; E201-W204 WeakPolarHBondContact O-CB 3.29Å; E201-W204 PolarHBondContact O-N 3.27Å; E201-E205 WeakPolarHBondContact O-CG 3.39Å; E201-E205 PolarHBondContact O-N 3.31Å
202R91.9Very high87.3Confident139 Ų13991.7 Ų91.753%0.52543%0.43SS..Hα-helixtrans-67.5-42.5177.6-175.1-175.1-60.4168.65.3112.9W198 E199 L200 W204 E205 L206W198-R202 VanDerWaalsContact CZ3-NH2 3.33Å; W198-R202 WeakPolarHBondContact O-CB 3.45Å; W198-R202 PolarHBondContact O-N 3.23Å; E199-R202 PolarHBondContact O-N 3.14Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 3.48Å; R202-W204 PolarHBondContact O-N 3.2Å; R202-E205 PolarHBondContact O-N 3.24Å; R202-L206 HydrophobicContact CG-CD1 3.96Å; R202-L206 HydrophobicContact CG-CG 4.47Å; R202-L206 WeakPolarHBondContact O-CB 3.28Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 2.9Å
203E91.6Very high86.4Confident29 Ų2995.8 Ų95.814%0.13645%0.45CS..Hα-helixtrans-64.8-31.9176.4-76.4178.6-163.800112.1K195 E199 L200 G207 R208 Y209K195-E203 WeakPolarHBondContact CD-OE1 3.4Å; K195-E203 WeakPolarHBondContact CE-OE1 3.24Å; K195-E203 IonicContact NZ-OE1 3.54Å; K195-E203 PolarHBondContact NZ-OE1 3.08Å; K195-E203 IonicContact NZ-OE2 2.8Å; K195-E203 PolarHBondContact NZ-OE2 2.97Å; E199-E203 WeakPolarHBondContact O-CG 3.48Å; E199-E203 PolarHBondContact O-N 3.05Å; L200-E203 PolarHBondContact O-N 3.45Å; E203-G207 PolarHBondContact O-N 3.39Å; E203-G207 VanDerWaalsContact O-N 3.14Å; E203-R208 PolarHBondContact O-N 3.02Å; E203-Y209 PolarHBondContact O-N 3.48Å
204W91.3Very high85.4Confident184 Ų18496.3 Ų96.370%0.69745%0.448SS*.Hα-helixtrans-69.4-47.6172.9-171.6-88.9000111.6L200 E201 R202 L206 G207 Y209L200-W204 WeakPolarHBondContact O-CB 3.45Å; L200-W204 PolarHBondContact O-N 3.33Å; E201-W204 WeakPolarHBondContact O-CB 3.29Å; E201-W204 PolarHBondContact O-N 3.27Å; R202-W204 PolarHBondContact O-N 3.2Å; W204-L206 VanDerWaalsContact C-N 3.3Å; W204-L206 PolarHBondContact O-N 3.07Å; W204-G207 PolarHBondContact O-N 2.96Å; W204-Y209 AromaticContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD2 4.29Å; W204-Y209 HydrophobicContact CE3-CE1 4.26Å; W204-Y209 AromaticContact CE3-CG 3.79Å; W204-Y209 HydrophobicContact CE3-CG 3.79Å; W204-Y209 AromaticContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CE1 4.12Å; W204-Y209 HydrophobicContact CZ3-CG 4.37Å
205E92.5Very high84.4Confident168 Ų16891.8 Ų91.879%0.78544%0.436SS*.Hα-helixtrans-60-37.5175.4-74.9-174.2158.500113.2E201 R202 G207E201-E205 WeakPolarHBondContact O-CG 3.39Å; E201-E205 PolarHBondContact O-N 3.31Å; R202-E205 PolarHBondContact O-N 3.24Å; E205-G207 VanDerWaalsContact C-N 3.29Å
206L92.6Very high83.4Confident132 Ų13294 Ų9469%0.69146%0.455SS*.THydrogen-bonded Turntrans-79.8-6.4175.6-67.2173.9000113.6R202 W204 R208R202-L206 HydrophobicContact CG-CD1 3.96Å; R202-L206 HydrophobicContact CG-CG 4.47Å; R202-L206 WeakPolarHBondContact O-CB 3.28Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 2.9Å; W204-L206 VanDerWaalsContact C-N 3.3Å; W204-L206 PolarHBondContact O-N 3.07Å; L206-R208 PolarHBondContact O-N 3.09Å
207G86.9Confident82.3Confident38 Ų3897 Ų9739%0.39247%0.469SS..THydrogen-bonded Turntrans61.330.9-175.300000113.6E203 W204 E205 K211E203-G207 PolarHBondContact O-N 3.39Å; E203-G207 VanDerWaalsContact O-N 3.14Å; W204-G207 PolarHBondContact O-N 2.96Å; E205-G207 VanDerWaalsContact C-N 3.29Å; G207-K211 VanDerWaalsContact O-CE 3.28Å; G207-K211 WeakPolarHBondContact O-CE 3.46Å; G207-K211 PolarHBondContact O-NZ 2.99Å
208R84Confident81.2Confident127 Ų12799.1 Ų99.148%0.47947%0.468SS..  trans-101.1-20.3175.7-156.6-174.8-169.8-165.24.9113.2E203 L206 G210 K211 E212E203-R208 PolarHBondContact O-N 3.02Å; L206-R208 PolarHBondContact O-N 3.09Å; R208-G210 PolarHBondContact O-N 3.2Å; R208-K211 WeakPolarHBondContact O-CB 3.3Å; R208-K211 PolarHBondContact O-N 2.8Å; R208-E212 HydrophobicContact CG-CG 4.26Å; R208-E212 IonicContact CZ-OE1 3.57Å; R208-E212 IonicContact NE-OE1 3.68Å; R208-E212 PolarHBondContact NE-OE1 2.76Å; R208-E212 IonicContact NH1-OE1 2.75Å; R208-E212 PolarHBondContact NH1-OE1 3.31Å; R208-E212 IonicContact NH2-OE1 3.59Å
209Y81.5Confident80.1Confident121 Ų121102.7 Ų102.748%0.47548%0.482SS..THydrogen-bonded Turntrans-46.3128.6176.8-176.4-84.6000111.5L200 E203 W204 K211L200-Y209 HydrophobicContact CB-CE2 4.42Å; L200-Y209 HydrophobicContact CD2-CD2 4.22Å; L200-Y209 HydrophobicContact CD2-CE2 4Å; E203-Y209 PolarHBondContact O-N 3.48Å; W204-Y209 AromaticContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD1 3.77Å; W204-Y209 HydrophobicContact CE3-CD2 4.29Å; W204-Y209 HydrophobicContact CE3-CE1 4.26Å; W204-Y209 AromaticContact CE3-CG 3.79Å; W204-Y209 HydrophobicContact CE3-CG 3.79Å; W204-Y209 AromaticContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CD1 3.86Å; W204-Y209 HydrophobicContact CZ3-CE1 4.12Å; W204-Y209 HydrophobicContact CZ3-CG 4.37Å; Y209-K211 VanDerWaalsContact C-N 3.26Å; Y209-K211 PolarHBondContact O-N 3.34Å
210G77.9Confident79.1Confident23 Ų23104.7 Ų104.724%0.23749%0.492CS..THydrogen-bonded Turntrans80.5-31.3-176.300000115.9R208 E212 D213 E214R208-G210 PolarHBondContact O-N 3.2Å; G210-E212 VanDerWaalsContact C-N 3.31Å; G210-E212 PolarHBondContact O-N 3.46Å; G210-D213 WeakPolarHBondContact O-CB 3.27Å; G210-D213 PolarHBondContact O-N 2.86Å; G210-E214 PolarHBondContact O-N 3.22Å
211K75.5Confident77.8Confident118 Ų118109.6 Ų109.651%0.51352%0.516SS..Hα-helixtrans-64.7-35.1-177-64.7-179.1178.6161.10112.9G207 R208 Y209 D213 E214 D215G207-K211 VanDerWaalsContact O-CE 3.28Å; G207-K211 WeakPolarHBondContact O-CE 3.46Å; G207-K211 PolarHBondContact O-NZ 2.99Å; R208-K211 WeakPolarHBondContact O-CB 3.3Å; R208-K211 PolarHBondContact O-N 2.8Å; Y209-K211 VanDerWaalsContact C-N 3.26Å; Y209-K211 PolarHBondContact O-N 3.34Å; K211-D213 PolarHBondContact O-N 2.94Å; K211-E214 PolarHBondContact O-N 2.93Å; K211-D215 PolarHBondContact O-N 3.16Å
212E66.9Low76.2Confident22 Ų22110.8 Ų110.810%0.10352%0.522CS..Hα-helixtrans-66.4-12.3174.8-69.8-164179.500114.4K195 R208 G210 K218K195-E212 IonicContact NZ-OE2 3.99Å; K195-E212 PolarHBondContact NZ-OE2 3.18Å; R208-E212 HydrophobicContact CG-CG 4.26Å; R208-E212 IonicContact CZ-OE1 3.57Å; R208-E212 IonicContact NE-OE1 3.68Å; R208-E212 PolarHBondContact NE-OE1 2.76Å; R208-E212 IonicContact NH1-OE1 2.75Å; R208-E212 PolarHBondContact NH1-OE1 3.31Å; R208-E212 IonicContact NH2-OE1 3.59Å; G210-E212 VanDerWaalsContact C-N 3.31Å; G210-E212 PolarHBondContact O-N 3.46Å; E212-K218 HydrophobicContact CB-CD 4.44Å; E212-K218 VanDerWaalsContact O-CD 3.25Å; E212-K218 WeakPolarHBondContact O-CD 3.28Å; E212-K218 IonicContact OE2-NZ 3.83Å; E212-K218 PolarHBondContact OE2-NZ 2.77Å
213D70.3Confident74.6Confident114 Ų114112.5 Ų112.561%0.6154%0.536SS*.Hα-helixtrans-101.9-15.9179.6-47.4-54.7000111G210 K211G210-D213 WeakPolarHBondContact O-CB 3.27Å; G210-D213 PolarHBondContact O-N 2.86Å; K211-D213 PolarHBondContact O-N 2.94Å
214E64.9Low72.8Confident152 Ų152119.6 Ų119.671%0.7157%0.569SS**Hα-helixtrans-78.6-27.1167.4-63.5175.7158.900111.9G210 K211 V216G210-E214 PolarHBondContact O-N 3.22Å; K211-E214 PolarHBondContact O-N 2.93Å; E214-V216 VanDerWaalsContact C-N 3.28Å; E214-V216 PolarHBondContact O-N 3.04Å
215D68.3Low70.8Confident90 Ų90118.7 Ų118.748%0.48157%0.573SS.*  trans-70.173.4176-73.7-37.6000111.7K211 H217 K218K211-D215 PolarHBondContact O-N 3.16Å; D215-H217 PolarHBondContact O-N 3.15Å; D215-H217 VanDerWaalsContact O-N 3.08Å; D215-K218 HydrophobicContact CB-CB 4Å; D215-K218 WeakPolarHBondContact O-CB 3.15Å; D215-K218 PolarHBondContact O-N 2.77Å
216V68Low68.9Low112 Ų112118.2 Ų118.268%0.67957%0.57SS**G310 helixtrans-50.7-37.6179.9-179.40000112.5E214 K218E214-V216 VanDerWaalsContact C-N 3.28Å; E214-V216 PolarHBondContact O-N 3.04Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 2.86Å
217H67.4Low67.2Low123 Ų123121.7 Ų121.757%0.56958%0.58SS**G310 helixtrans-74.6-6.2-179.8-54.7-71.6000114.3D215 Y219 E220D215-H217 PolarHBondContact O-N 3.15Å; D215-H217 VanDerWaalsContact O-N 3.08Å; H217-Y219 PolarHBondContact O-N 2.72Å; H217-Y219 VanDerWaalsContact O-N 3.13Å; H217-E220 IonicContact CE1-OE1 2.7Å; H217-E220 IonicContact CE1-OE2 2.72Å; H217-E220 IonicContact CG-OE2 3.23Å; H217-E220 IonicContact ND1-OE1 3.87Å; H217-E220 PolarHBondContact ND1-OE1 2.94Å; H217-E220 IonicContact ND1-OE2 3.82Å; H217-E220 PolarHBondContact ND1-OE2 3.07Å; H217-E220 WeakPolarHBondContact O-CB 3.32Å; H217-E220 PolarHBondContact O-N 2.98Å
218K68.1Low66Low82 Ų82126.5 Ų126.536%0.35759%0.594SS.*G310 helixtrans-57.8-29.2-177.2-178.1-175.8178.4-161.70114E212 D215 V216E212-K218 HydrophobicContact CB-CD 4.44Å; E212-K218 VanDerWaalsContact O-CD 3.25Å; E212-K218 WeakPolarHBondContact O-CD 3.28Å; E212-K218 IonicContact OE2-NZ 3.83Å; E212-K218 PolarHBondContact OE2-NZ 2.77Å; D215-K218 HydrophobicContact CB-CB 4Å; D215-K218 WeakPolarHBondContact O-CB 3.15Å; D215-K218 PolarHBondContact O-N 2.77Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 2.86Å
219Y68Low65.5Low174 Ų174123.7 Ų123.768%0.68259%0.592SS**G310 helixtrans-111.46.2178.4-51.2-71.3000112.9H217 I221H217-Y219 PolarHBondContact O-N 2.72Å; H217-Y219 VanDerWaalsContact O-N 3.13Å; Y219-I221 PolarHBondContact O-N 2.7Å
220E70.7Confident65.5Low92 Ų92123.2 Ų123.243%0.4360%0.602SS.*  trans-69.7113.1166.6-74.7179.8-172.600108H217 H222H217-E220 IonicContact CE1-OE1 2.7Å; H217-E220 IonicContact CE1-OE2 2.72Å; H217-E220 IonicContact CG-OE2 3.23Å; H217-E220 IonicContact ND1-OE1 3.87Å; H217-E220 PolarHBondContact ND1-OE1 2.94Å; H217-E220 IonicContact ND1-OE2 3.82Å; H217-E220 PolarHBondContact ND1-OE2 3.07Å; H217-E220 WeakPolarHBondContact O-CB 3.32Å; H217-E220 PolarHBondContact O-N 2.98Å; E220-H222 PolarHBondContact O-N 3.22Å; E220-H222 IonicContact OE2-CE1 2.62Å; E220-H222 IonicContact OE2-ND1 2.66Å
221I64.6Low66Low162 Ų162125.4 Ų125.483%0.83161%0.608SS**  trans-67.490.7160.6-55.9174.3000105.2Y219 E223Y219-I221 PolarHBondContact O-N 2.7Å; I221-E223 PolarHBondContact O-N 2.9Å
222H57.4Low66.7Low125 Ų125119.8 Ų119.858%0.57958%0.584SS**  trans-55.8116.5160.4-67.2-29.7000106.6E220 E224E220-H222 PolarHBondContact O-N 3.22Å; E220-H222 IonicContact OE2-CE1 2.62Å; E220-H222 IonicContact OE2-ND1 2.66Å; H222-E224 PolarHBondContact O-N 3.3Å
223E58Low67.8Low175 Ų175121.1 Ų121.182%0.81859%0.594SS**  trans-59.299.8155.6-66.9-175.2177.600105.1I221 E225I221-E223 PolarHBondContact O-N 2.9Å; E223-E225 PolarHBondContact O-N 3.15Å
224E53.3Low68.8Low178 Ų178118.2 Ų118.283%0.83258%0.578SS**  trans-66.780.6166.8-71.1-163.2150.400106.7H222 E226H222-E224 PolarHBondContact O-N 3.3Å; E224-E226 VanDerWaalsContact C-N 3.34Å; E224-E226 PolarHBondContact O-N 3.26Å
225E50.2Low70Confident165 Ų165113.2 Ų113.277%0.77156%0.559SS**  trans-45.7104.6160.4-68.3-173.7144.700105.9E223 K227E223-E225 PolarHBondContact O-N 3.15Å; E225-K227 WeakPolarHBondContact O-CA 3.17Å; E225-K227 WeakPolarHBondContact O-CG 3.25Å; E225-K227 PolarHBondContact O-N 2.92Å
226E52.4Low70.9Confident157 Ų157117 Ų11773%0.73457%0.574SS**  trans-52.6105.1-173.7-71.6-169.4148.600107.2E224 M228E224-E226 VanDerWaalsContact C-N 3.34Å; E224-E226 PolarHBondContact O-N 3.26Å; E226-M228 PolarHBondContact O-N 3.28Å
227K57.9Low71.8Confident205 Ų205115.9 Ų115.989%0.89156%0.562SS**  trans-65.387.3-162.9-77.4-178.8177.3163.10110.3E225E225-K227 WeakPolarHBondContact O-CA 3.17Å; E225-K227 WeakPolarHBondContact O-CG 3.25Å; E225-K227 PolarHBondContact O-N 2.92Å
228M61.3Low72.8Confident139 Ų139114 Ų11469%0.68556%0.56SS**  trans-55.5124.3-17762.1-162.5-58.400106.9E226 T230E226-M228 PolarHBondContact O-N 3.28Å; M228-T230 PolarHBondContact O-N 3.12Å
229P73.9Confident73.7Confident68 Ų68112.3 Ų112.344%0.44255%0.553SS.*  trans-52.1136.2175.5-26.935000108.9F239P229-F239 HydrophobicContact CB-CE2 4.18Å; P229-F239 HydrophobicContact CB-CZ 4.27Å; P229-F239 WeakPolarHBondContact O-CE2 3.44Å
230T80.4Confident74.6Confident111 Ų111110 Ų11068%0.68155%0.546SS*.SBendtrans-68.9-32.2172440000110.9M228 P238 F239M228-T230 PolarHBondContact O-N 3.12Å; T230-P238 WeakPolarHBondContact O-CA 3.1Å; T230-F239 WeakPolarHBondContact O-CD2 3.38Å
231D88.6Confident75.5Confident70 Ų70110.8 Ų110.837%0.37455%0.553SS.*BIsolated β-bridgetrans-124.2141.1-168.5-60.1-79.8000112.8Q237 F239D231-Q237 WeakPolarHBondContact CA-O 3.32Å; D231-Q237 VanDerWaalsContact OD1-C 3.32Å; D231-F239 VanDerWaalsContact C-CZ 3.46Å; D231-F239 WeakPolarHBondContact O-CE2 3.22Å; D231-F239 WeakPolarHBondContact O-CZ 3.38Å
232C90.7Very high76.7Confident0 Ų0104.4 Ų104.40%052%0.522CS..  trans-68122.8177171.50000110.5I234 C235 Q236 Q237 F239 C252C232-I234 PolarHBondContact O-N 3.26Å; C232-C235 VanDerWaalsContact CB-SG 3.6Å; C232-C235 PolarHBondContact O-N 2.98Å; C232-C235 VanDerWaalsContact O-N 3.07Å; C232-C235 VanDerWaalsContact SG-SG 3.7Å; C232-Q236 PolarHBondContact O-N 3.17Å; C232-Q237 PolarHBondContact N-O 3.42Å; C232-F239 VanDerWaalsContact CA-CZ 3.42Å; C232-F239 HydrophobicContact CB-CD1 4.05Å; C232-F239 HydrophobicContact CB-CE1 3.71Å; C232-F239 HydrophobicContact CB-CZ 4.07Å; C232-C252 WeakPolarHBondContact CB-SG 3.27Å; C232-C252 PolarHBondContact SG-N 3.16Å; C232-C252 VanDerWaalsContact SG-N 3.38Å
233P89.7Confident78.3Confident50 Ų5099 Ų9933%0.32550%0.499SS..THydrogen-bonded Turntrans-65.9-12.9-17326.9-36.7000114.1F251 F267 V268P233-F251 HydrophobicContact CG-CD1 3.94Å; P233-F251 HydrophobicContact CG-CE1 3.66Å; P233-F267 HydrophobicContact CB-CD1 4.26Å; P233-F267 HydrophobicContact CB-CE1 4.24Å; P233-F267 HydrophobicContact CG-CD1 4.46Å; P233-F267 VanDerWaalsContact O-CE1 3.26Å; P233-F267 WeakPolarHBondContact O-CE1 3.36Å; P233-V268 HydrophobicContact CB-CG2 4.3Å; P233-V268 HydrophobicContact CG-CG2 3.87Å
234I90.5Very high79.9Confident52 Ų5292.6 Ų92.627%0.26747%0.469SS..THydrogen-bonded Turntrans-86.6-29.8177-65171.3000112.4C232 F251 C255 H259 F267C232-I234 PolarHBondContact O-N 3.26Å; I234-F251 HydrophobicContact CD1-CD1 3.39Å; I234-F251 HydrophobicContact CD1-CE1 3.75Å; I234-F251 HydrophobicContact CD1-CG 4.21Å; I234-F251 HydrophobicContact CG1-CD1 3.84Å; I234-F251 HydrophobicContact CG1-CE1 4.01Å; I234-C255 HydrophobicContact CB-CB 3.93Å; I234-C255 HydrophobicContact CD1-CB 4.04Å; I234-C255 HydrophobicContact CG2-CB 3.8Å; I234-H259 HydrophobicContact CD1-CB 4.05Å; I234-F267 HydrophobicContact CD1-CB 4.14Å; I234-F267 HydrophobicContact CD1-CG 4.32Å; I234-F267 HydrophobicContact CG1-CB 4.1Å; I234-F267 HydrophobicContact CG1-CD1 3.74Å; I234-F267 HydrophobicContact CG1-CD2 4.22Å; I234-F267 HydrophobicContact CG1-CE1 4.19Å; I234-F267 HydrophobicContact CG1-CG 3.76Å
235C90Very high81.6Confident47 Ų4784.1 Ų84.132%0.31843%0.43SS..THydrogen-bonded Turntrans-130.1-3.6-172.664.80000115.8C232 Q237C232-C235 VanDerWaalsContact CB-SG 3.6Å; C232-C235 PolarHBondContact O-N 2.98Å; C232-C235 VanDerWaalsContact O-N 3.07Å; C232-C235 VanDerWaalsContact SG-SG 3.7Å; C235-Q237 PolarHBondContact O-N 2.84Å
236Q87.1Confident83.4Confident169 Ų16982.5 Ų82.579%0.7942%0.42SS*.SBendtrans52.642.7178-59.3175.3-6.200112.2C232C232-Q236 PolarHBondContact O-N 3.17Å
237Q87.8Confident85.1Confident90 Ų9076.2 Ų76.242%0.42139%0.394SS..SBendtrans-132.5154.9174.8-70.9-172.47.700109.7D231 C232 C235D231-Q237 WeakPolarHBondContact CA-O 3.32Å; D231-Q237 VanDerWaalsContact OD1-C 3.32Å; C232-Q237 PolarHBondContact N-O 3.42Å; C235-Q237 PolarHBondContact O-N 2.84Å
238P88.6Confident86.6Confident82 Ų8271.7 Ų71.753%0.53238%0.379SS..BIsolated β-bridgetrans-57.2147.817323.1-34.8000112T230 K240T230-P238 WeakPolarHBondContact O-CA 3.1Å; P238-K240 PolarHBondContact O-N 3.21Å; P238-K240 VanDerWaalsContact O-N 3.11Å
239F87.5Confident87.9Confident47 Ų4767.3 Ų67.321%0.20636%0.357CS..  trans-63.6110.6-169-72.4-88.7000113.6P229 T230 D231 C232 P242P229-F239 HydrophobicContact CB-CE2 4.18Å; P229-F239 HydrophobicContact CB-CZ 4.27Å; P229-F239 WeakPolarHBondContact O-CE2 3.44Å; T230-F239 WeakPolarHBondContact O-CD2 3.38Å; D231-F239 VanDerWaalsContact C-CZ 3.46Å; D231-F239 WeakPolarHBondContact O-CE2 3.22Å; D231-F239 WeakPolarHBondContact O-CZ 3.38Å; C232-F239 VanDerWaalsContact CA-CZ 3.42Å; C232-F239 HydrophobicContact CB-CD1 4.05Å; C232-F239 HydrophobicContact CB-CE1 3.71Å; C232-F239 HydrophobicContact CB-CZ 4.07Å; F239-P242 HydrophobicContact CB-CB 4.09Å; F239-P242 HydrophobicContact CD1-CB 4.34Å; F239-P242 HydrophobicContact CG-CB 4.46Å
240K86.8Confident88.7Confident126 Ų12667 Ų6755%0.54835%0.347SS..SBendtrans-95.8111.1169.3-67.8164.2-173.7165.20107.8P238 C252 E253P238-K240 PolarHBondContact O-N 3.21Å; P238-K240 VanDerWaalsContact O-N 3.11Å; K240-C252 PolarHBondContact N-SG 3.14Å; K240-C252 WeakPolarHBondContact O-CA 3.4Å; K240-C252 VanDerWaalsContact O-CB 3.29Å; K240-C252 WeakPolarHBondContact O-CB 3.37Å; K240-E253 PolarHBondContact O-N 3.42Å
241N88.2Confident89.2Confident108 Ų10861.9 Ų61.958%0.57832%0.316SS*.SBendtrans52.476.6-170.4-61.61.9000111.6V243 E253N241-V243 PolarHBondContact O-N 3.36Å; N241-E253 HydrophobicContact CB-CB 3.75Å; N241-E253 WeakPolarHBondContact CB-OE2 3.39Å; N241-E253 PolarHBondContact ND2-OE2 2.96Å; N241-E253 PolarHBondContact O-N 3.43Å
242P90.9Very high89.4Confident28 Ų2858.9 Ų58.918%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-60.1129.5178.922.1-31.8000112.2F239 F251 V280F239-P242 HydrophobicContact CB-CB 4.09Å; F239-P242 HydrophobicContact CD1-CB 4.34Å; F239-P242 HydrophobicContact CG-CB 4.46Å; P242-F251 CarbonylContact C-O 3.58Å; P242-F251 WeakPolarHBondContact CA-O 3.26Å; P242-V280 HydrophobicContact CB-CB 4.16Å; P242-V280 HydrophobicContact CB-CG2 4.17Å; P242-V280 HydrophobicContact CG-CB 4.11Å; P242-V280 PolarHBondContact O-N 3.21Å
243V90.7Very high89.4Confident13 Ų1363 Ų638%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-120.6133.6170.8-61.20000110.5N241 Y250 F251 E253 A256 F277 T278N241-V243 PolarHBondContact O-N 3.36Å; V243-Y250 WeakPolarHBondContact O-CA 3.38Å; V243-F251 HydrophobicContact CG2-CB 4.16Å; V243-F251 WeakPolarHBondContact CG2-O 3.43Å; V243-F251 PolarHBondContact N-O 2.9Å; V243-F251 PolarHBondContact O-N 2.9Å; V243-E253 HydrophobicContact CG1-CB 4.23Å; V243-A256 HydrophobicContact CG2-CB 3.62Å; V243-F277 HydrophobicContact CB-CB 4.34Å; V243-F277 HydrophobicContact CG2-CB 4.44Å; V243-F277 HydrophobicContact CG2-CD1 4.38Å; V243-T278 CarbonylContact C-O 3.55Å; V243-T278 WeakPolarHBondContact CA-O 3.36Å
244I90.8Very high89.5Confident39 Ų3963.4 Ų63.420%0.233%0.327CS..EExtended strand (participates in β ladder)trans-89.5140.6171.3-79.4168.9000109.3Y250 F277 T278 V280I244-Y250 HydrophobicContact CD1-CD1 4.3Å; I244-Y250 HydrophobicContact CD1-CE1 3.57Å; I244-Y250 HydrophobicContact CG1-CD1 3.7Å; I244-Y250 HydrophobicContact CG1-CE1 3.5Å; I244-Y250 VanDerWaalsContact CG1-CE1 3.5Å; I244-Y250 HydrophobicContact CG1-CG 4.35Å; I244-F277 WeakPolarHBondContact O-CA 3.33Å; I244-T278 PolarHBondContact N-O 3.06Å; I244-T278 PolarHBondContact O-N 3.3Å; I244-T278 PolarHBondContact O-OG1 3.19Å; I244-V280 HydrophobicContact CB-CG2 4.22Å; I244-V280 HydrophobicContact CD1-CG2 3.58Å; I244-V280 HydrophobicContact CG1-CG2 3.51Å
245T90Very high89.6Confident1 Ų161.6 Ų61.61%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-94.4161.9165.650.50000111.2C247 N248 H249 F251 T273 F277T245-C247 PolarHBondContact O-N 2.97Å; T245-C247 PolarHBondContact OG1-SG 3.2Å; T245-N248 PolarHBondContact O-N 3.47Å; T245-H249 PolarHBondContact N-O 3.19Å; T245-H249 VanDerWaalsContact N-O 3.08Å; T245-H249 PolarHBondContact OG1-N 3.25Å; T245-H249 PolarHBondContact OG1-O 3.12Å; T245-F251 HydrophobicContact CG2-CD2 3.91Å; T245-F251 HydrophobicContact CG2-CE2 3.68Å; T245-T273 HydrophobicContact CG2-CG2 3.87Å; T245-F277 HydrophobicContact CG2-CD1 3.62Å; T245-F277 HydrophobicContact CG2-CE1 3.58Å
246K88.1Confident89.7Confident130 Ų13059.5 Ų59.557%0.56531%0.305SS*.THydrogen-bonded Turntrans-52.80.3172.6-72.9-176.1168.9176.60117L276K246-L276 HydrophobicContact CD-CB 4.29Å; K246-L276 VanDerWaalsContact CE-CD2 3.45Å; K246-L276 HydrophobicContact CG-CB 4.27Å
247C88.6Confident89.9Confident26 Ų2655.4 Ų55.418%0.17629%0.288CS..THydrogen-bonded Turntrans-127.623.9-179.351.30000111.8T245 H249 C266 C269 K271T245-C247 PolarHBondContact O-N 2.97Å; T245-C247 PolarHBondContact OG1-SG 3.2Å; C247-H249 PolarHBondContact O-CE1 3.46Å; C247-H249 PolarHBondContact O-N 3.41Å; C247-H249 PolarHBondContact O-ND1 3.41Å; C247-H249 PolarHBondContact SG-ND1 3.25Å; C247-C266 VanDerWaalsContact SG-SG 3.62Å; C247-C269 PolarHBondContact SG-SG 3.39Å; C247-K271 HydrophobicContact CB-CD 4.07Å
248N87.6Confident90.1Very high109 Ų10957 Ų5758%0.58330%0.295SS*.SBendtrans59.223.5175.5-6012.8000115.4T245T245-N248 PolarHBondContact O-N 3.47Å
249H89.8Confident90.3Very high48 Ų4855 Ų5522%0.22228%0.279CS..  trans-94.1129.5171.5-57.991.1000110.6T245 C247 F251 V268 C269T245-H249 PolarHBondContact N-O 3.19Å; T245-H249 VanDerWaalsContact N-O 3.08Å; T245-H249 PolarHBondContact OG1-N 3.25Å; T245-H249 PolarHBondContact OG1-O 3.12Å; C247-H249 PolarHBondContact O-CE1 3.46Å; C247-H249 PolarHBondContact O-N 3.41Å; C247-H249 PolarHBondContact O-ND1 3.41Å; C247-H249 PolarHBondContact SG-ND1 3.25Å; H249-F251 HydrophobicContact CB-CE2 3.67Å; H249-F251 HydrophobicContact CB-CZ 3.84Å; H249-V268 HydrophobicContact CB-CB 4.49Å; H249-V268 HydrophobicContact CB-CG2 4.4Å; H249-V268 WeakPolarHBondContact CD2-CB 3.27Å; H249-V268 WeakPolarHBondContact CD2-CG1 3.33Å; H249-V268 WeakPolarHBondContact NE2-CG1 3.4Å; H249-C269 PolarHBondContact CE1-SG 3.03Å
250Y90.6Very high90.4Very high61 Ų6154 Ų5424%0.23928%0.278CS..EExtended strand (participates in β ladder)trans-87.9139.6179.1-62.8-97000111.4V243 I244 V280V243-Y250 WeakPolarHBondContact O-CA 3.38Å; I244-Y250 HydrophobicContact CD1-CD1 4.3Å; I244-Y250 HydrophobicContact CD1-CE1 3.57Å; I244-Y250 HydrophobicContact CG1-CD1 3.7Å; I244-Y250 HydrophobicContact CG1-CE1 3.5Å; I244-Y250 VanDerWaalsContact CG1-CE1 3.5Å; I244-Y250 HydrophobicContact CG1-CG 4.35Å; Y250-V280 HydrophobicContact CD1-CG2 4.21Å; Y250-V280 HydrophobicContact CE1-CG2 4.09Å
251F91.2Very high90.5Very high4 Ų458.2 Ų58.22%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-142.3159.3173.2-57.1-78.6000110.9P233 I234 P242 V243 T245 H249 A256 F267 V268P233-F251 HydrophobicContact CG-CD1 3.94Å; P233-F251 HydrophobicContact CG-CE1 3.66Å; I234-F251 HydrophobicContact CD1-CD1 3.39Å; I234-F251 HydrophobicContact CD1-CE1 3.75Å; I234-F251 HydrophobicContact CD1-CG 4.21Å; I234-F251 HydrophobicContact CG1-CD1 3.84Å; I234-F251 HydrophobicContact CG1-CE1 4.01Å; P242-F251 CarbonylContact C-O 3.58Å; P242-F251 WeakPolarHBondContact CA-O 3.26Å; V243-F251 HydrophobicContact CG2-CB 4.16Å; V243-F251 WeakPolarHBondContact CG2-O 3.43Å; V243-F251 PolarHBondContact N-O 2.9Å; V243-F251 PolarHBondContact O-N 2.9Å; T245-F251 HydrophobicContact CG2-CD2 3.91Å; T245-F251 HydrophobicContact CG2-CE2 3.68Å; H249-F251 HydrophobicContact CB-CE2 3.67Å; H249-F251 HydrophobicContact CB-CZ 3.84Å; F251-A256 HydrophobicContact CB-CB 4.12Å; F251-F267 HydrophobicContact CE1-CB 3.81Å; F251-F267 HydrophobicContact CE1-CD1 4.4Å; F251-F267 HydrophobicContact CZ-CB 4.07Å; F251-V268 HydrophobicContact CE1-CG2 4.15Å; F251-V268 HydrophobicContact CZ-CG2 4.02Å
252C92.3Very high90.6Very high6 Ų661.9 Ų61.94%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-68.3140.7160.8-58.50000109.7C232 K240 A254 C255 A256C232-C252 WeakPolarHBondContact CB-SG 3.27Å; C232-C252 PolarHBondContact SG-N 3.16Å; C232-C252 VanDerWaalsContact SG-N 3.38Å; K240-C252 PolarHBondContact N-SG 3.14Å; K240-C252 WeakPolarHBondContact O-CA 3.4Å; K240-C252 VanDerWaalsContact O-CB 3.29Å; K240-C252 WeakPolarHBondContact O-CB 3.37Å; C252-A254 VanDerWaalsContact C-N 3.34Å; C252-A254 PolarHBondContact O-N 2.9Å; C252-C255 HydrophobicContact CB-CB 4.13Å; C252-C255 WeakPolarHBondContact O-CA 3.33Å; C252-C255 WeakPolarHBondContact O-CB 3.03Å; C252-C255 PolarHBondContact O-N 2.97Å; C252-A256 PolarHBondContact O-N 2.75Å
253E91.1Very high90.6Very high87 Ų8763.3 Ų63.341%0.40731%0.309SS..Hα-helixtrans-46.1-53.3177.3-178.7-171.2174.800112.6K240 N241 V243 C255 A256 L257K240-E253 PolarHBondContact O-N 3.42Å; N241-E253 HydrophobicContact CB-CB 3.75Å; N241-E253 WeakPolarHBondContact CB-OE2 3.39Å; N241-E253 PolarHBondContact ND2-OE2 2.96Å; N241-E253 PolarHBondContact O-N 3.43Å; V243-E253 HydrophobicContact CG1-CB 4.23Å; E253-C255 VanDerWaalsContact C-N 3.28Å; E253-C255 PolarHBondContact O-N 2.88Å; E253-A256 PolarHBondContact O-N 3.25Å; E253-L257 HydrophobicContact CG-CD1 4.09Å; E253-L257 WeakPolarHBondContact O-CG 3.29Å; E253-L257 PolarHBondContact O-N 2.74Å
254A92.4Very high90.5Very high59 Ų5968.4 Ų68.449%0.48834%0.335SS..Hα-helixtrans-60.9-35.2179.500000112.9C252 Q258C252-A254 VanDerWaalsContact C-N 3.34Å; C252-A254 PolarHBondContact O-N 2.9Å; A254-Q258 WeakPolarHBondContact O-CB 3.29Å; A254-Q258 VanDerWaalsContact O-CG 3.23Å; A254-Q258 WeakPolarHBondContact O-CG 3.28Å; A254-Q258 PolarHBondContact O-N 2.73Å
255C92.6Very high90.5Very high13 Ų1371 Ų719%0.08835%0.345CS..Hα-helixtrans-73.6-41.1178.6-63.90000111.7I234 C252 E253 L257 Q258 H259I234-C255 HydrophobicContact CB-CB 3.93Å; I234-C255 HydrophobicContact CD1-CB 4.04Å; I234-C255 HydrophobicContact CG2-CB 3.8Å; C252-C255 HydrophobicContact CB-CB 4.13Å; C252-C255 WeakPolarHBondContact O-CA 3.33Å; C252-C255 WeakPolarHBondContact O-CB 3.03Å; C252-C255 PolarHBondContact O-N 2.97Å; E253-C255 VanDerWaalsContact C-N 3.28Å; E253-C255 PolarHBondContact O-N 2.88Å; C255-L257 VanDerWaalsContact C-N 3.35Å; C255-Q258 PolarHBondContact O-N 2.89Å; C255-H259 WeakPolarHBondContact O-CB 3.24Å; C255-H259 PolarHBondContact O-N 3.02Å
256A91.7Very high90.6Very high4 Ų471.1 Ų71.13%0.03335%0.346CS..Hα-helixtrans-61.5-42.5173.800000111.8V243 F251 C252 E253 H259 S260 F277V243-A256 HydrophobicContact CG2-CB 3.62Å; F251-A256 HydrophobicContact CB-CB 4.12Å; C252-A256 PolarHBondContact O-N 2.75Å; E253-A256 PolarHBondContact O-N 3.25Å; A256-H259 PolarHBondContact O-N 2.58Å; A256-S260 WeakPolarHBondContact O-CB 3.31Å; A256-S260 PolarHBondContact O-N 3.04Å; A256-S260 PolarHBondContact O-OG 3.16Å; A256-S260 VanDerWaalsContact O-OG 3.1Å; A256-F277 HydrophobicContact CB-CD1 3.85Å; A256-F277 HydrophobicContact CB-CE1 3.82Å; A256-F277 HydrophobicContact CB-CG 4.49Å; A256-F277 HydrophobicContact CB-CZ 4.44Å
257L91.1Very high90.7Very high82 Ų8269.8 Ų69.843%0.42934%0.34SS..Hα-helixtrans-69.3-33.5175.9-68.2174.1000113.2E253 C255 S260 R261E253-L257 HydrophobicContact CG-CD1 4.09Å; E253-L257 WeakPolarHBondContact O-CG 3.29Å; E253-L257 PolarHBondContact O-N 2.74Å; C255-L257 VanDerWaalsContact C-N 3.35Å; L257-S260 PolarHBondContact O-OG 3.1Å; L257-R261 WeakPolarHBondContact O-CD 3.5Å; L257-R261 VanDerWaalsContact O-CG 3.23Å; L257-R261 WeakPolarHBondContact O-CG 3.24Å
258Q92Very high90.8Very high125 Ų12572.1 Ų72.158%0.58435%0.354SS*.Hα-helixtrans-72.2-35.8172.9-76.9176.212.200112.6A254 C255A254-Q258 WeakPolarHBondContact O-CB 3.29Å; A254-Q258 VanDerWaalsContact O-CG 3.23Å; A254-Q258 WeakPolarHBondContact O-CG 3.28Å; A254-Q258 PolarHBondContact O-N 2.73Å; C255-Q258 PolarHBondContact O-N 2.89Å
259H91.9Very high90.9Very high39 Ų3968.9 Ų68.918%0.18134%0.339CS..Hα-helixtrans-73.6-45.5178-170.980.9000111.7I234 C255 A256 R261 K262 T263 K265 F267I234-H259 HydrophobicContact CD1-CB 4.05Å; C255-H259 WeakPolarHBondContact O-CB 3.24Å; C255-H259 PolarHBondContact O-N 3.02Å; A256-H259 PolarHBondContact O-N 2.58Å; H259-R261 PolarHBondContact O-N 3.5Å; H259-K262 WeakPolarHBondContact O-CA 3.47Å; H259-K262 WeakPolarHBondContact O-CB 3.32Å; H259-K262 PolarHBondContact O-N 3.16Å; H259-T263 PolarHBondContact CE1-OG1 2.65Å; H259-T263 PolarHBondContact NE2-OG1 3.36Å; H259-T263 PolarHBondContact O-N 3.24Å; H259-K265 PolarHBondContact CD2-O 3.23Å; H259-K265 VanDerWaalsContact CD2-O 3.25Å; H259-K265 PolarHBondContact NE2-O 2.99Å; H259-F267 AromaticContact CE1-CD2 3.77Å; H259-F267 AromaticContact ND1-CD2 3.9Å
260S90.2Very high90.7Very high27 Ų2772.4 Ų72.419%0.18936%0.356CS..Hα-helixtrans-61.3-30-179.363.70000113.7A256 L257 K262 T263A256-S260 WeakPolarHBondContact O-CB 3.31Å; A256-S260 PolarHBondContact O-N 3.04Å; A256-S260 PolarHBondContact O-OG 3.16Å; A256-S260 VanDerWaalsContact O-OG 3.1Å; L257-S260 PolarHBondContact O-OG 3.1Å; S260-K262 VanDerWaalsContact C-N 3.28Å; S260-K262 PolarHBondContact O-N 3.12Å; S260-T263 WeakPolarHBondContact CA-O 3.5Å
261R89.8Confident90.7Very high214 Ų21476 Ų7681%0.80837%0.373SS*.THydrogen-bonded Turntrans-65.9-23.2170.8-73.8172.3-175.1-164.62.2114.3L257 H259L257-R261 WeakPolarHBondContact O-CD 3.5Å; L257-R261 VanDerWaalsContact O-CG 3.23Å; L257-R261 WeakPolarHBondContact O-CG 3.24Å; H259-R261 PolarHBondContact O-N 3.5Å
262K89.5Confident90.5Very high184 Ų18477.7 Ų77.780%0.839%0.391SS*.THydrogen-bonded Turntrans-95.7-44.2176.3-64.7-178.9180-1790111.3H259 S260H259-K262 WeakPolarHBondContact O-CA 3.47Å; H259-K262 WeakPolarHBondContact O-CB 3.32Å; H259-K262 PolarHBondContact O-N 3.16Å; S260-K262 VanDerWaalsContact C-N 3.28Å; S260-K262 PolarHBondContact O-N 3.12Å
263T90.5Very high90.1Very high59 Ų5977.5 Ų77.536%0.36239%0.389SS..  trans-150.4126.4-172.637.80000110.8H259 S260 K265H259-T263 PolarHBondContact CE1-OG1 2.65Å; H259-T263 PolarHBondContact NE2-OG1 3.36Å; H259-T263 PolarHBondContact O-N 3.24Å; S260-T263 WeakPolarHBondContact CA-O 3.5Å; T263-K265 PolarHBondContact O-N 3.13Å
264L88.2Confident89.7Confident119 Ų11980 Ų8062%0.62340%0.403SS*.SBendtrans-74.923.2174.4-61.4175.1000113.6G272 T273L264-G272 CarbonylContact O-C 3.56Å; L264-G272 WeakPolarHBondContact O-CA 3.36Å; L264-T273 PolarHBondContact O-N 2.95Å; L264-T273 PolarHBondContact O-OG1 3.11Å
265K90.7Very high89.2Confident95 Ų9579.4 Ų79.441%0.41340%0.402SS..BIsolated β-bridgetrans-99.9162.5177.4-71.3-172.6164.7-175.60110.3H259 T263 E270 K271H259-K265 PolarHBondContact CD2-O 3.23Å; H259-K265 VanDerWaalsContact CD2-O 3.25Å; H259-K265 PolarHBondContact NE2-O 2.99Å; T263-K265 PolarHBondContact O-N 3.13Å; K265-E270 WeakPolarHBondContact CB-O 3.23Å; K265-E270 HydrophobicContact CD-CB 4.14Å; K265-E270 HydrophobicContact CD-CG 4.4Å; K265-E270 WeakPolarHBondContact CD-O 3.43Å; K265-E270 VanDerWaalsContact CG-O 3.24Å; K265-E270 WeakPolarHBondContact CG-O 3.43Å; K265-E270 IonicContact NZ-OE2 3.15Å; K265-E270 PolarHBondContact NZ-OE2 2.88Å; K265-K271 CarbonylContact C-O 3.56Å
266C92Very high88.9Confident3 Ų383.4 Ų83.42%0.0242%0.422CS..  trans-82.1134.9166.4-1780000109.9C247 V268 E270 K271 T273C247-C266 VanDerWaalsContact SG-SG 3.62Å; C266-V268 VanDerWaalsContact C-N 3.29Å; C266-V268 PolarHBondContact O-N 3.24Å; C266-E270 WeakPolarHBondContact O-CA 3.35Å; C266-E270 PolarHBondContact O-N 2.74Å; C266-K271 WeakPolarHBondContact CB-O 3.25Å; C266-K271 PolarHBondContact N-O 2.78Å; C266-T273 HydrophobicContact CB-CG2 3.96Å
267F90.2Very high88.8Confident101 Ų10185.9 Ų85.944%0.44343%0.432SS..THydrogen-bonded Turntrans-63.7-29.3-177.8180-101.6000113.9P233 I234 F251 H259P233-F267 HydrophobicContact CB-CD1 4.26Å; P233-F267 HydrophobicContact CB-CE1 4.24Å; P233-F267 HydrophobicContact CG-CD1 4.46Å; P233-F267 VanDerWaalsContact O-CE1 3.26Å; P233-F267 WeakPolarHBondContact O-CE1 3.36Å; I234-F267 HydrophobicContact CD1-CB 4.14Å; I234-F267 HydrophobicContact CD1-CG 4.32Å; I234-F267 HydrophobicContact CG1-CB 4.1Å; I234-F267 HydrophobicContact CG1-CD1 3.74Å; I234-F267 HydrophobicContact CG1-CD2 4.22Å; I234-F267 HydrophobicContact CG1-CE1 4.19Å; I234-F267 HydrophobicContact CG1-CG 3.76Å; F251-F267 HydrophobicContact CE1-CB 3.81Å; F251-F267 HydrophobicContact CE1-CD1 4.4Å; F251-F267 HydrophobicContact CZ-CB 4.07Å; H259-F267 AromaticContact CE1-CD2 3.77Å; H259-F267 AromaticContact ND1-CD2 3.9Å
268V90.7Very high88.7Confident75 Ų7585.7 Ų85.746%0.45544%0.435SS..THydrogen-bonded Turntrans-92.1-35.1-174.8-177.40000113.2P233 H249 F251 C266P233-V268 HydrophobicContact CB-CG2 4.3Å; P233-V268 HydrophobicContact CG-CG2 3.87Å; H249-V268 HydrophobicContact CB-CB 4.49Å; H249-V268 HydrophobicContact CB-CG2 4.4Å; H249-V268 WeakPolarHBondContact CD2-CB 3.27Å; H249-V268 WeakPolarHBondContact CD2-CG1 3.33Å; H249-V268 WeakPolarHBondContact NE2-CG1 3.4Å; F251-V268 HydrophobicContact CE1-CG2 4.15Å; F251-V268 HydrophobicContact CZ-CG2 4.02Å; C266-V268 VanDerWaalsContact C-N 3.29Å; C266-V268 PolarHBondContact O-N 3.24Å
269C89.5Confident88.6Confident41 Ų4185.8 Ų85.828%0.27744%0.439SS..THydrogen-bonded Turntrans-129.29.3-172.969.30000115C247 H249 K271C247-C269 PolarHBondContact SG-SG 3.39Å; H249-C269 PolarHBondContact CE1-SG 3.03Å; C269-K271 PolarHBondContact O-N 2.8Å
270E87.5Confident88.1Confident123 Ų12386.2 Ų86.258%0.57545%0.445SS*.  trans56.2-6.4-179.8-68.4-155.7-155.100118.1K265 C266 G272K265-E270 WeakPolarHBondContact CB-O 3.23Å; K265-E270 HydrophobicContact CD-CB 4.14Å; K265-E270 HydrophobicContact CD-CG 4.4Å; K265-E270 WeakPolarHBondContact CD-O 3.43Å; K265-E270 VanDerWaalsContact CG-O 3.24Å; K265-E270 WeakPolarHBondContact CG-O 3.43Å; K265-E270 IonicContact NZ-OE2 3.15Å; K265-E270 PolarHBondContact NZ-OE2 2.88Å; C266-E270 WeakPolarHBondContact O-CA 3.35Å; C266-E270 PolarHBondContact O-N 2.74Å; E270-G272 PolarHBondContact O-N 3Å
271K88.8Confident87.1Confident137 Ų13793.9 Ų93.960%0.59648%0.475SS*.  trans-56135.8175.6-64.7176.2-174.5174.60110.4C247 K265 C266 C269 T273C247-K271 HydrophobicContact CB-CD 4.07Å; K265-K271 CarbonylContact C-O 3.56Å; C266-K271 WeakPolarHBondContact CB-O 3.25Å; C266-K271 PolarHBondContact N-O 2.78Å; C269-K271 PolarHBondContact O-N 2.8Å; K271-T273 PolarHBondContact O-N 2.7Å
272G88.8Confident85.3Confident38 Ų3892 Ų9239%0.39249%0.494SS..BIsolated β-bridgetrans-62.7121.1178.900000111.6L264 E270 M274L264-G272 CarbonylContact O-C 3.56Å; L264-G272 WeakPolarHBondContact O-CA 3.36Å; E270-G272 PolarHBondContact O-N 3Å; G272-M274 PolarHBondContact O-N 3.15Å
273T83.4Confident85.1Confident3 Ų387.5 Ų87.52%0.01848%0.479CS..  trans-74.9-16.3-176.854.40000112.9T245 L264 C266 K271 G275 L276 F277T245-T273 HydrophobicContact CG2-CG2 3.87Å; L264-T273 PolarHBondContact O-N 2.95Å; L264-T273 PolarHBondContact O-OG1 3.11Å; C266-T273 HydrophobicContact CB-CG2 3.96Å; K271-T273 PolarHBondContact O-N 2.7Å; T273-G275 PolarHBondContact O-N 3Å; T273-L276 PolarHBondContact O-N 2.92Å; T273-L276 VanDerWaalsContact O-N 3.11Å; T273-F277 HydrophobicContact CG2-CE1 4.23Å; T273-F277 HydrophobicContact CG2-CZ 4.26Å
274M82.8Confident84.9Confident140 Ų14088.9 Ų88.969%0.6949%0.485SS*.THydrogen-bonded Turntrans55.928.9-177.4-54.5-60.815900113.1G272 L276G272-M274 PolarHBondContact O-N 3.15Å; M274-L276 PolarHBondContact O-N 2.95Å; M274-L276 VanDerWaalsContact O-N 3.14Å
275G81.7Confident84.7Confident46 Ų4687.3 Ų87.347%0.47448%0.478SS..THydrogen-bonded Turntrans69.30.4-176.900000115.3T273T273-G275 PolarHBondContact O-N 3Å
276L86.5Confident84.3Confident96 Ų9686.8 Ų86.850%0.50348%0.481SS..  trans-89.7113-179-108.273.6000111.3K246 T273 M274K246-L276 HydrophobicContact CD-CB 4.29Å; K246-L276 VanDerWaalsContact CE-CD2 3.45Å; K246-L276 HydrophobicContact CG-CB 4.27Å; T273-L276 PolarHBondContact O-N 2.92Å; T273-L276 VanDerWaalsContact O-N 3.11Å; M274-L276 PolarHBondContact O-N 2.95Å; M274-L276 VanDerWaalsContact O-N 3.14Å
277F89Confident83.8Confident56 Ų5692.1 Ų92.125%0.24651%0.51CS..EExtended strand (participates in β ladder)trans-125.1123.8169.6-57.3-87.8000107.3V243 I244 T245 A256 T273V243-F277 HydrophobicContact CB-CB 4.34Å; V243-F277 HydrophobicContact CG2-CB 4.44Å; V243-F277 HydrophobicContact CG2-CD1 4.38Å; I244-F277 WeakPolarHBondContact O-CA 3.33Å; T245-F277 HydrophobicContact CG2-CD1 3.62Å; T245-F277 HydrophobicContact CG2-CE1 3.58Å; A256-F277 HydrophobicContact CB-CD1 3.85Å; A256-F277 HydrophobicContact CB-CE1 3.82Å; A256-F277 HydrophobicContact CB-CG 4.49Å; A256-F277 HydrophobicContact CB-CZ 4.44Å; T273-F277 HydrophobicContact CG2-CE1 4.23Å; T273-F277 HydrophobicContact CG2-CZ 4.26Å
278T89.8Confident83.4Confident78 Ų7891.5 Ų91.548%0.47952%0.515SS..EExtended strand (participates in β ladder)trans-102.4129.5177.448.30000109.2V243 I244 V280V243-T278 CarbonylContact C-O 3.55Å; V243-T278 WeakPolarHBondContact CA-O 3.36Å; I244-T278 PolarHBondContact N-O 3.06Å; I244-T278 PolarHBondContact O-N 3.3Å; I244-T278 PolarHBondContact O-OG1 3.19Å; T278-V280 PolarHBondContact O-N 2.8Å
279N88.7Confident82.9Confident127 Ų12792.6 Ų92.668%0.67952%0.519SS*.EExtended strand (participates in β ladder)trans-66.8129.8173.760-47000110.5
280V81.4Confident82.4Confident49 Ų4996.6 Ų96.630%0.29754%0.538SS..PPolyproline II helixtrans-79.8135.1166.6-164.60000106.9P242 I244 Y250 T278 S282P242-V280 HydrophobicContact CB-CB 4.16Å; P242-V280 HydrophobicContact CB-CG2 4.17Å; P242-V280 HydrophobicContact CG-CB 4.11Å; P242-V280 PolarHBondContact O-N 3.21Å; I244-V280 HydrophobicContact CB-CG2 4.22Å; I244-V280 HydrophobicContact CD1-CG2 3.58Å; I244-V280 HydrophobicContact CG1-CG2 3.51Å; Y250-V280 HydrophobicContact CD1-CG2 4.21Å; Y250-V280 HydrophobicContact CE1-CG2 4.09Å; T278-V280 PolarHBondContact O-N 2.8Å; V280-S282 PolarHBondContact O-N 2.92Å
281K69.1Low81.9Confident188 Ų18894.4 Ų94.482%0.81753%0.534SS*.PPolyproline II helixtrans-79.7118.6166.3-66.1-179.4-177.9177.70107.4
282S53.4Low81.3Confident175 Ų17590.5 Ų90.5100%1.22453%0.529SS*.  trans-63.30160.856.90000110.7V280V280-S282 PolarHBondContact O-N 2.92Å

Retrieved 282 of 282 residues in 141.2 ms (Link to these results)