A0A3Q0KL21_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KL21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 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
1M34.6Very low36.7Very low240 Ų240131.9 Ų131.9100%1.18266%0.657SS**  0116.60-70.9177142.500107.3S3M1-S3 PolarHBondContact O-N 3.1Å
2S33.6Very low36.9Very low101 Ų101127.9 Ų127.971%0.70664%0.638SS**  trans-85.8108.4-171.2-176.10000109.3R4S2-R4 PolarHBondContact O-N 3.14Å
3S34.3Very low37.1Very low97 Ų97122 Ų12268%0.67861%0.614SS**  trans-67.772.5172.4-44.60000109.3M1 W5M1-S3 PolarHBondContact O-N 3.1Å; S3-W5 PolarHBondContact O-N 2.67Å; S3-W5 PolarHBondContact O-NE1 3.16Å
4R33.3Very low37.3Very low204 Ų204117.4 Ų117.477%0.7759%0.593SS**  trans-77.2106.7174.3-79.5-170.9-72.9172.9-2.2108S2 N6S2-R4 PolarHBondContact O-N 3.14Å; R4-N6 PolarHBondContact O-N 2.84Å; R4-N6 VanDerWaalsContact O-N 3.16Å
5W32.7Very low37.3Very low220 Ų220120.7 Ų120.783%0.83360%0.604SS**  trans-60.6107.3174.7-56.387000109.5S3 I7S3-W5 PolarHBondContact O-N 2.67Å; S3-W5 PolarHBondContact O-NE1 3.16Å; W5-I7 PolarHBondContact O-N 3.25Å
6N33.7Very low37.4Very low158 Ų158121.7 Ų121.785%0.84561%0.612SS**  trans-83.1110.6173.8-72.2-25.1000108.5R4R4-N6 PolarHBondContact O-N 2.84Å; R4-N6 VanDerWaalsContact O-N 3.16Å
7I37.4Very low37.5Very low110 Ų110123.8 Ų123.856%0.56463%0.626SS**  trans-95.4116.7177.2-56.8172.2000107.4W5 I9 I215W5-I7 PolarHBondContact O-N 3.25Å; I7-I9 HydrophobicContact CG2-CD1 4.42Å; I7-I9 HydrophobicContact CG2-CG1 4.07Å; I7-I215 HydrophobicContact CG2-CG2 4.4Å
8L41.7Very low37.7Very low123 Ų123122 Ų12264%0.64463%0.627SS**  trans-92.2129170.7-176.966.7000108.8
9I41.9Very low37.7Very low55 Ų55127.3 Ų127.328%0.28264%0.638SS.*  trans-116.2104.6178.4-65.4171.8000107.5I7 I201 I213I7-I9 HydrophobicContact CG2-CD1 4.42Å; I7-I9 HydrophobicContact CG2-CG1 4.07Å; I9-I201 HydrophobicContact CB-CD1 3.93Å; I9-I201 HydrophobicContact CB-CG1 4.37Å; I9-I201 HydrophobicContact CD1-CD1 3.46Å; I9-I201 VanDerWaalsContact CD1-CD1 3.46Å; I9-I201 HydrophobicContact CG1-CD1 4.26Å; I9-I201 HydrophobicContact CG2-CD1 3.79Å; I9-I201 HydrophobicContact CG2-CG1 3.88Å; I9-I213 HydrophobicContact CB-CG2 4.19Å; I9-I213 HydrophobicContact CD1-CG2 4.42Å; I9-I213 HydrophobicContact CG1-CG2 3.83Å; I9-I213 HydrophobicContact CG2-CB 4.23Å; I9-I213 HydrophobicContact CG2-CD1 4.26Å; I9-I213 HydrophobicContact CG2-CG1 3.83Å; I9-I213 HydrophobicContact CG2-CG2 3.69Å
10Q39.7Very low37.8Very low121 Ų121129.3 Ų129.357%0.56565%0.65SS**EExtended strand (participates in β ladder)trans-102.3122.4173.1-171.9172.613.900109.3
11S41Very low38.1Very low22 Ų22127.8 Ų127.815%0.15465%0.652CS.*EExtended strand (participates in β ladder)trans-104.5112.4-178.873.80000109.6Y212S11-Y212 WeakPolarHBondContact CA-O 3.44Å
12I38.7Very low38.5Very low84 Ų84124.7 Ų124.743%0.43164%0.635SS.*EExtended strand (participates in β ladder)trans-98.7120175.9-55.6175.8000107.5Y214I12-Y214 HydrophobicContact CD1-CE2 3.87Å; I12-Y214 HydrophobicContact CG1-CE2 4.35Å
13P40.3Very low39.2Very low51 Ų51123.7 Ų123.733%0.33163%0.626SS.*EExtended strand (participates in β ladder)trans-68.7138.5173.726-29.6000110.1H15P13-H15 PolarHBondContact O-N 2.97Å
14D39.1Very low39.6Very low58 Ų58125 Ų12531%0.3163%0.625SS.*  trans-61.172.7169.4-79.1-18.4000110.8N210 Y212D14-N210 WeakPolarHBondContact OD2-CB 3.32Å; D14-N210 PolarHBondContact OD2-ND2 2.98Å; D14-Y212 WeakPolarHBondContact OD1-CE2 3.33Å
15H38.2Very low40Very low166 Ų166125.1 Ų125.177%0.76964%0.635SS**  trans-97.2108.1158-74.8-52.3000107.3P13P13-H15 PolarHBondContact O-N 2.97Å
16D37.5Very low40.5Very low137 Ų137118.6 Ų118.673%0.73364%0.636SS**  trans67105175.4-69.9-31.4000117.3S18D16-S18 PolarHBondContact O-N 3.27Å
17N39.4Very low40.9Very low157 Ų157115.7 Ų115.784%0.8462%0.617SS**THydrogen-bonded Turntrans-59.130.6159.7-74.7-35.2000114
18S41.6Very low41.2Very low92 Ų92119.7 Ų119.764%0.64363%0.63SS**THydrogen-bonded Turntrans-98-12-178.970.20000114D16D16-S18 PolarHBondContact O-N 3.27Å
19R38.5Very low41.4Very low223 Ų223117.9 Ų117.984%0.84262%0.624SS**  trans-100.395.9174.8-78.7-174.9169.6-177.1-0.9110.7S21R19-S21 PolarHBondContact O-N 3.14Å
20N38.5Very low41Very low166 Ų166122.8 Ų122.889%0.88865%0.648SS**  trans-53.959.3159-82.7-25.7000112.4Q22N20-Q22 PolarHBondContact O-N 3.42Å
21S44.2Very low41Very low99 Ų99122.3 Ų122.369%0.69266%0.658SS**  trans-84.290.5162.354.20000106.9R19R19-S21 PolarHBondContact O-N 3.14Å
22Q43.2Very low41Very low174 Ų174128.6 Ų128.681%0.81369%0.688SS**PPolyproline II helixtrans-52.6134.1163.3-79.7-166.8-42.700108.5N20 N24N20-Q22 PolarHBondContact O-N 3.42Å; Q22-N24 PolarHBondContact O-N 2.91Å
23P47.5Very low41Very low81 Ų81130 Ų13053%0.52670%0.703SS.*PPolyproline II helixtrans-60131.2178.323.8-31.8000109.4Q27 V29P23-Q27 HydrophobicContact CB-CB 4.37Å; P23-V29 HydrophobicContact CB-CG2 4.49Å
24N44.5Very low40.9Very low123 Ų123133.4 Ų133.466%0.65872%0.718SS**PPolyproline II helixtrans-57141.2176-70.9-45.3000109.9Q22 G26 Q27Q22-N24 PolarHBondContact O-N 2.91Å; N24-G26 PolarHBondContact O-N 3.31Å; N24-Q27 PolarHBondContact O-N 2.87Å; N24-Q27 VanDerWaalsContact O-N 3.09Å
25E39.7Very low40.9Very low208 Ų208141.1 Ų141.197%0.97274%0.743SS**THydrogen-bonded Turntrans-50.3121.9-177.8-151.7173.7-161.700110.7
26G45Very low40.7Very low82 Ų82137.6 Ų137.685%0.84574%0.737SS**THydrogen-bonded Turntrans106.2-8.1-175.900000116N24N24-G26 PolarHBondContact O-N 3.31Å
27Q40.7Very low40.9Very low98 Ų98140.3 Ų140.346%0.45874%0.743SS.*  trans-91.1111.8175.2-67.2-175.6-2.200111.6P23 N24P23-Q27 HydrophobicContact CB-CB 4.37Å; N24-Q27 PolarHBondContact O-N 2.87Å; N24-Q27 VanDerWaalsContact O-N 3.09Å
28K44.6Very low40.6Very low193 Ų193142.4 Ų142.484%0.83974%0.74SS**  trans-92102.3176.1-161.4177-175.2-174.30109.9
29V44.6Very low40.2Very low85 Ų85147 Ų14752%0.51575%0.752SS.*  trans-82.6122.7175.3-175.80000108.6P23 Y212P23-V29 HydrophobicContact CB-CG2 4.49Å; V29-Y212 HydrophobicContact CG1-CD1 4.34Å; V29-Y212 HydrophobicContact CG1-CE1 4.2Å
30M35.4Very low40.1Very low158 Ų158143.5 Ų143.578%0.77875%0.75SS**  trans-102.4115.9167.9-78.5-172.5-52.600109.4I32M30-I32 PolarHBondContact O-N 3.12Å
31S39.4Very low40.1Very low112 Ų112143 Ų14378%0.78375%0.747SS**PPolyproline II helixtrans-71.6116.2167.917.30000109P33S31-P33 WeakPolarHBondContact O-CD 3.17Å
32I41.4Very low39.8Very low153 Ų153146.7 Ų146.779%0.78575%0.753SS**PPolyproline II helixtrans-84.1119.6170.4-57.7174.3000106.3M30 N34M30-I32 PolarHBondContact O-N 3.12Å; I32-N34 PolarHBondContact O-N 2.69Å
33P38.3Very low39.3Very low114 Ų114147.7 Ų147.774%0.7476%0.758SS**PPolyproline II helixtrans-62.4122.1176.2-14.827.1000108.8S31 R35S31-P33 WeakPolarHBondContact O-CD 3.17Å; P33-R35 PolarHBondContact O-N 3.1Å
34N38.4Very low38.8Very low123 Ų123149 Ų14966%0.65877%0.769SS**  trans-57.6105.5164.9-91.2-40.5000106.7I32 S36 N210I32-N34 PolarHBondContact O-N 2.69Å; N34-S36 PolarHBondContact O-N 3.45Å; N34-N210 PolarHBondContact ND2-OD1 3.08Å
35R37.8Very low38.1Very low220 Ų220148 Ų14883%0.8377%0.772SS**  trans-67.686.4165.7-144.4-179.8-155.1-131.83.4105P33 F37P33-R35 PolarHBondContact O-N 3.1Å; R35-F37 VanDerWaalsContact O-CD2 3.27Å; R35-F37 WeakPolarHBondContact O-CD2 3.23Å; R35-F37 PolarHBondContact O-N 3.21Å
36S35.1Very low37.9Very low92 Ų92142.8 Ų142.864%0.64375%0.754SS**  trans-55.6109.4170.749.30000106.7N34 Y38N34-S36 PolarHBondContact O-N 3.45Å; S36-Y38 PolarHBondContact O-N 2.73Å
37F41.5Very low37.2Very low193 Ų193146 Ų14685%0.84675%0.75SS**  trans-70.368170.4-74.2-94.6000108.9R35R35-F37 VanDerWaalsContact O-CD2 3.27Å; R35-F37 WeakPolarHBondContact O-CD2 3.23Å; R35-F37 PolarHBondContact O-N 3.21Å
38Y32Very low36.9Very low201 Ų201150 Ų15079%0.78876%0.763SS**  trans-134.987.2165.8-77.1-74.6000107.3S36S36-Y38 PolarHBondContact O-N 2.73Å
39E34.3Very low36.6Very low189 Ų189146.2 Ų146.288%0.88376%0.758SS**  trans-170.494.1147.1-105.5165.2-168.600106.6
40D36.8Very low36.4Very low150 Ų150148 Ų14880%0.80277%0.768SS**THydrogen-bonded Turntrans-56.6144172.9-73.4-53.3000111
41N38.1Very low36.9Very low156 Ų156149.5 Ų149.583%0.83477%0.774SS**THydrogen-bonded Turntrans101.516.7171.8-53.7-47.4000119.1
42Q37.1Very low36.9Very low176 Ų176151.1 Ų151.182%0.82277%0.773SS**  trans-99.992.2156.4-69.8-74.7-34.900108.3S44Q42-S44 PolarHBondContact O-N 2.9Å
43Q33.2Very low36.8Very low195 Ų195154.2 Ų154.291%0.91178%0.775SS**  trans-44.7103.6175-132.117010.500108.7S45Q43-S45 PolarHBondContact O-N 3.28Å
44S36.5Very low36.8Very low109 Ų109154.4 Ų154.476%0.76278%0.776SS**  trans-62.2108.1-179.8-630000107Q42 T46Q42-S44 PolarHBondContact O-N 2.9Å; S44-T46 PolarHBondContact O-N 3.01Å
45S30.6Very low36.9Very low102 Ų102154.7 Ų154.771%0.71378%0.782SS**  trans-67.9100.7-179.164.80000108.4Q43 I47Q43-S45 PolarHBondContact O-N 3.28Å; S45-I47 PolarHBondContact O-N 3.22Å
46T36.2Very low37.1Very low98 Ų98152.1 Ų152.160%0.60178%0.784SS**  trans-70102168.7-59.60000105.9S44 Y48S44-T46 PolarHBondContact O-N 3.01Å; T46-Y48 HydrophobicContact CG2-CD2 4.48Å; T46-Y48 HydrophobicContact CG2-CE1 4.23Å; T46-Y48 HydrophobicContact CG2-CE2 4.03Å; T46-Y48 WeakPolarHBondContact O-CD2 3.4Å; T46-Y48 PolarHBondContact O-N 2.88Å; T46-Y48 VanDerWaalsContact O-N 3.12Å
47I30.2Very low37.2Very low149 Ų149154.9 Ų154.976%0.76479%0.787SS**  trans-75.5100.8177.6-60.3169.8000107S45S45-I47 PolarHBondContact O-N 3.22Å
48Y33.1Very low37Very low183 Ų183150.1 Ų150.172%0.71878%0.778SS**  trans-70.8133.7170.6-65.1-84.7000109.5T46 V50T46-Y48 HydrophobicContact CG2-CD2 4.48Å; T46-Y48 HydrophobicContact CG2-CE1 4.23Å; T46-Y48 HydrophobicContact CG2-CE2 4.03Å; T46-Y48 WeakPolarHBondContact O-CD2 3.4Å; T46-Y48 PolarHBondContact O-N 2.88Å; T46-Y48 VanDerWaalsContact O-N 3.12Å; Y48-V50 PolarHBondContact O-N 2.98Å
49P39.3Very low37.6Very low113 Ų113149.4 Ų149.473%0.73478%0.779SS**  trans-62.1126.7178.325-31.9000109.9E51P49-E51 PolarHBondContact O-N 2.76Å; P49-E51 VanDerWaalsContact O-N 3.14Å
50V38.9Very low37.9Very low122 Ų122147.3 Ų147.374%0.73977%0.774SS**  trans-61.2113.2177.6171.30000109.5Y48 N52Y48-V50 PolarHBondContact O-N 2.98Å; V50-N52 PolarHBondContact O-N 2.92Å
51E46.4Very low38.2Very low190 Ų190148.2 Ų148.289%0.88877%0.773SS**SBendtrans-65.7-16.7-175.5-63.3-176.2162.700114.1P49 R53P49-E51 PolarHBondContact O-N 2.76Å; P49-E51 VanDerWaalsContact O-N 3.14Å; E51-R53 PolarHBondContact O-N 2.98Å
52N38.9Very low38.2Very low145 Ų145145.9 Ų145.978%0.77577%0.767SS**  trans-10253.4-174.1-70.4-26.4000113.4V50 P54V50-N52 PolarHBondContact O-N 2.92Å; N52-P54 WeakPolarHBondContact O-CD 3.25Å
53R40.3Very low38.6Very low219 Ų219143.4 Ų143.483%0.82677%0.766SS**  trans-81.7117.2158.6-82-171.6177.8-175.60.6107.9E51 V55E51-R53 PolarHBondContact O-N 2.98Å; R53-V55 PolarHBondContact O-N 2.96Å
54P37.8Very low39Very low117 Ų117137.9 Ų137.976%0.7675%0.749SS**  trans-60.4108.4170.324.6-30.5000107N52 L56N52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-L56 PolarHBondContact O-N 2.98Å
55V41.3Very low39.8Very low129 Ų129138.2 Ų138.278%0.78275%0.748SS**  trans-57.8110.2165.2175.80000104.5R53 Q57R53-V55 PolarHBondContact O-N 2.96Å; V55-Q57 PolarHBondContact O-N 2.86Å
56L41.2Very low40.5Very low166 Ų166142.2 Ų142.287%0.86975%0.749SS**  trans-5895.7167.7-71.1170.3000105.8P54 S58P54-L56 PolarHBondContact O-N 2.98Å; L56-S58 PolarHBondContact O-N 2.96Å
57Q37.7Very low40.7Very low150 Ų150142.7 Ų142.770%0.70176%0.757SS**  trans-57.4107.3168.9-90.1-179.4-5.800105.8V55 F59V55-Q57 PolarHBondContact O-N 2.86Å; Q57-F59 VanDerWaalsContact O-CD2 3.25Å; Q57-F59 WeakPolarHBondContact O-CD2 3.27Å; Q57-F59 PolarHBondContact O-N 3.22Å
58S36.2Very low41.3Very low94 Ų94145 Ų14566%0.65776%0.757SS**  trans-56.9105.8164.2171.80000106.8L56 N60L56-S58 PolarHBondContact O-N 2.96Å; S58-N60 PolarHBondContact O-N 3.05Å
59F46Very low41.8Very low185 Ų185148 Ų14881%0.81177%0.767SS**THydrogen-bonded Turntrans-66.85.8-178.3-87.1-85.8000114.1Q57Q57-F59 VanDerWaalsContact O-CD2 3.25Å; Q57-F59 WeakPolarHBondContact O-CD2 3.27Å; Q57-F59 PolarHBondContact O-N 3.22Å
60N40.7Very low42.4Very low146 Ų146151.7 Ų151.778%0.78177%0.772SS**THydrogen-bonded Turntrans-113.419.6-170.6-73.1-19.2000115.1S58S58-N60 PolarHBondContact O-N 3.05Å
61Q41.7Very low42.6Very low168 Ų168151.8 Ų151.879%0.78577%0.773SS**  trans-109108.3171.7-146.2161.913.400110.2
62P39.5Very low43.1Very low108 Ų108148.4 Ų148.470%0.70177%0.767SS**  trans-59.2139.3175.323.1-31000109.2S64P62-S64 PolarHBondContact O-N 2.66Å
63P44.1Very low43.9Very low123 Ų123148.5 Ų148.580%0.79977%0.768SS**  trans-63.5105.4-177.825.4-32.6000108.8P65P63-P65 WeakPolarHBondContact O-CD 3.32Å
64S41.9Very low44.7Very low79 Ų79143.4 Ų143.455%0.55276%0.763SS**  trans-64.8119.5168.4-179.70000107.8P62 Y66 S67P62-S64 PolarHBondContact O-N 2.66Å; S64-Y66 PolarHBondContact O-N 3Å; S64-S67 PolarHBondContact O-N 2.7Å
65P54.3Low45.6Very low117 Ų117143.2 Ų143.276%0.7676%0.762SS**THydrogen-bonded Turntrans-68.8-0.2-175.426.4-32.5000113.7P63P63-P65 WeakPolarHBondContact O-CD 3.32Å
66Y44.8Very low46.4Very low186 Ų186142 Ų14273%0.72975%0.751SS**THydrogen-bonded Turntrans-106.923.7176.9-62.7-77000113.4S64 Y68S64-Y66 PolarHBondContact O-N 3Å; Y66-Y68 PolarHBondContact O-N 3.01Å
67S40.6Very low47.1Very low108 Ų108140.5 Ų140.576%0.75575%0.748SS**  trans-75.574.8166.9-148.60000109S64 R69S64-S67 PolarHBondContact O-N 2.7Å; S67-R69 PolarHBondContact O-N 3.44Å; S67-R69 VanDerWaalsContact O-N 3.16Å
68Y43.3Very low47.9Very low196 Ų196141.8 Ų141.877%0.76975%0.747SS**  trans-45.7123.5161.3-88-95.3000106.9Y66 K70Y66-Y68 PolarHBondContact O-N 3.01Å; Y68-K70 PolarHBondContact O-N 2.84Å
69R43.8Very low48.1Very low248 Ų248143 Ų14394%0.93675%0.752SS**  trans-51.888.7172.6-75.2-175.9175.8-166.2-0.3108.4S67 T71S67-R69 PolarHBondContact O-N 3.44Å; S67-R69 VanDerWaalsContact O-N 3.16Å; R69-T71 PolarHBondContact O-N 3.13Å; R69-T71 VanDerWaalsContact O-N 3.14Å
70K50.3Low47.9Very low190 Ų190140.1 Ų140.183%0.82675%0.75SS**  trans-67113.4161.9-79-166.9175.2-171.60104.4Y68Y68-K70 PolarHBondContact O-N 2.84Å
71T44Very low48Very low124 Ų124141.9 Ų141.976%0.76175%0.75SS**  trans-38.1123.6164.1-7.10000107.4R69 D73R69-T71 PolarHBondContact O-N 3.13Å; R69-T71 VanDerWaalsContact O-N 3.14Å; T71-D73 PolarHBondContact O-N 2.74Å; T71-D73 VanDerWaalsContact O-N 3.1Å
72P56.4Low47.9Very low118 Ų118140.6 Ų140.677%0.76675%0.748SS**PPolyproline II helixtrans-57.4123.6-178.621.4-30000107.8
73D56.2Low48.3Very low148 Ų148141.1 Ų141.179%0.79174%0.743SS**PPolyproline II helixtrans-54.8141.1175-73.9-43.4000108.7T71T71-D73 PolarHBondContact O-N 2.74Å; T71-D73 VanDerWaalsContact O-N 3.1Å
74P56.9Low47.9Very low111 Ų111146 Ų14672%0.72175%0.745SS**PPolyproline II helixtrans-57.3142.1-177.422.8-32.4000110.3D76P74-D76 PolarHBondContact O-N 3.3Å
75P57.4Low48Very low114 Ų114152.1 Ų152.174%0.7476%0.758SS**PPolyproline II helixtrans-57.8129.3-17722.7-32.3000110.3T77P75-T77 PolarHBondContact O-N 3.14Å
76D57.8Low47.5Very low104 Ų104152.2 Ų152.256%0.55676%0.756SS**  trans-65.4102.3176-170.7-6.8000108.9P74 R78P74-D76 PolarHBondContact O-N 3.3Å; D76-R78 PolarHBondContact O-N 3.16Å; D76-R78 VanDerWaalsContact OD1-CB 3.23Å; D76-R78 WeakPolarHBondContact OD1-CB 3.49Å; D76-R78 WeakPolarHBondContact OD1-CG 3.33Å; D76-R78 IonicContact OD1-CZ 3.44Å; D76-R78 PolarHBondContact OD1-N 3.17Å; D76-R78 VanDerWaalsContact OD1-N 3.1Å; D76-R78 IonicContact OD1-NE 2.7Å; D76-R78 PolarHBondContact OD1-NE 2.83Å; D76-R78 IonicContact OD1-NH2 3.77Å; D76-R78 IonicContact OD2-CZ 3.28Å; D76-R78 IonicContact OD2-NE 3.91Å; D76-R78 PolarHBondContact OD2-NE 2.65Å; D76-R78 IonicContact OD2-NH2 3.01Å; D76-R78 PolarHBondContact OD2-NH2 2.99Å
77T54.9Low47Very low133 Ų133147.5 Ų147.582%0.81675%0.751SS**  trans-84.24.6-179.251.10000112.8P75P75-T77 PolarHBondContact O-N 3.14Å
78R55.6Low47.1Very low178 Ų178148.4 Ų148.467%0.67275%0.746SS**SBendtrans-67.9131.6-177.6-66.1179.3-60.7164.63.5110.2D76 V80D76-R78 PolarHBondContact O-N 3.16Å; D76-R78 VanDerWaalsContact OD1-CB 3.23Å; D76-R78 WeakPolarHBondContact OD1-CB 3.49Å; D76-R78 WeakPolarHBondContact OD1-CG 3.33Å; D76-R78 IonicContact OD1-CZ 3.44Å; D76-R78 PolarHBondContact OD1-N 3.17Å; D76-R78 VanDerWaalsContact OD1-N 3.1Å; D76-R78 IonicContact OD1-NE 2.7Å; D76-R78 PolarHBondContact OD1-NE 2.83Å; D76-R78 IonicContact OD1-NH2 3.77Å; D76-R78 IonicContact OD2-CZ 3.28Å; D76-R78 IonicContact OD2-NE 3.91Å; D76-R78 PolarHBondContact OD2-NE 2.65Å; D76-R78 IonicContact OD2-NH2 3.01Å; D76-R78 PolarHBondContact OD2-NH2 2.99Å; R78-V80 PolarHBondContact O-N 3.3Å
79P41.1Very low47.2Very low118 Ų118143.9 Ų143.977%0.76674%0.743SS**  trans-65.4107.5179.224.5-32.3000110.4K81P79-K81 PolarHBondContact O-N 2.71Å
80V41.5Very low47.1Very low125 Ų125141.3 Ų141.376%0.75874%0.739SS**  trans-77.4104.5176.3-177.30000109.1R78 I82R78-V80 PolarHBondContact O-N 3.3Å; V80-I82 HydrophobicContact CG1-CG1 4.39Å; V80-I82 PolarHBondContact O-N 2.93Å
81K42.2Very low46.7Very low183 Ų183137.7 Ų137.780%0.79673%0.727SS**  trans-80.6102.8172.3-71.5-178.6179.9179.60109.4P79 I83P79-K81 PolarHBondContact O-N 2.71Å; K81-I83 PolarHBondContact O-N 3.13Å; K81-I83 VanDerWaalsContact O-N 3.14Å
82I40.5Very low46.5Very low142 Ų142137.2 Ų137.273%0.72873%0.726SS**  trans-74.5101.5174.7-56.8172.8000108.6V80 R84V80-I82 HydrophobicContact CG1-CG1 4.39Å; V80-I82 PolarHBondContact O-N 2.93Å; I82-R84 PolarHBondContact O-N 3.12Å
83I46.5Very low45.8Very low119 Ų119135.4 Ų135.461%0.6172%0.717SS**  trans-77.9111.8173.9-58.1174.2000108.1K81 Y85K81-I83 PolarHBondContact O-N 3.13Å; K81-I83 VanDerWaalsContact O-N 3.14Å; I83-Y85 HydrophobicContact CG2-CE2 4.29Å; I83-Y85 PolarHBondContact O-N 3.01Å
84R35.5Very low45.6Very low224 Ų224133.6 Ų133.685%0.84571%0.711SS**  trans-85.8107.2174.5-64.7-173.6-174.5-165.82.5109.1I82 V86I82-R84 PolarHBondContact O-N 3.12Å; R84-V86 PolarHBondContact O-N 2.78Å
85Y44.4Very low45.3Very low208 Ų208134.9 Ų134.982%0.81671%0.712SS**  trans-71.4113.5169-62.9-86000109I83I83-Y85 HydrophobicContact CG2-CE2 4.29Å; I83-Y85 PolarHBondContact O-N 3.01Å
86V43.4Very low44.7Very low120 Ų120136.8 Ų136.873%0.72772%0.716SS**  trans-86.8111.1170.3179.90000107.5R84 L88R84-V86 PolarHBondContact O-N 2.78Å; V86-L88 PolarHBondContact O-N 3.26Å
87S35.6Very low44.1Very low87 Ų87140 Ų14061%0.60873%0.725SS**  trans-61.4119.6172.8-179.50000109.8S89S87-S89 PolarHBondContact O-N 3.47Å; S87-S89 VanDerWaalsContact O-N 3.12Å; S87-S89 PolarHBondContact OG-OG 3.24Å
88L41.6Very low43.5Very low126 Ų126138.5 Ų138.566%0.6672%0.72SS**G310 helixtrans-72.41.8-179.4-54.6176.2000113.3V86 K90 I91V86-L88 PolarHBondContact O-N 3.26Å; L88-K90 PolarHBondContact O-N 3.5Å; L88-I91 HydrophobicContact CB-CD1 3.95Å; L88-I91 HydrophobicContact CB-CG1 4.35Å; L88-I91 HydrophobicContact CD2-CD1 3.34Å; L88-I91 HydrophobicContact CD2-CG1 4.33Å; L88-I91 HydrophobicContact CG-CD1 4.14Å; L88-I91 PolarHBondContact O-N 2.95Å
89S46.4Very low42.9Very low101 Ų101135.5 Ų135.571%0.70673%0.726SS**G310 helixtrans-63.4-4179.454.40000115S87S87-S89 PolarHBondContact O-N 3.47Å; S87-S89 VanDerWaalsContact O-N 3.12Å; S87-S89 PolarHBondContact OG-OG 3.24Å
90K40.8Very low43.1Very low194 Ų194138.1 Ų138.184%0.84373%0.728SS**G310 helixtrans-11816173-63.4-170.7-178-174.40114L88 P92L88-K90 PolarHBondContact O-N 3.5Å; K90-P92 VanDerWaalsContact O-CD 3.25Å; K90-P92 WeakPolarHBondContact O-CD 3.36Å
91I41.5Very low43.6Very low114 Ų114138 Ų13859%0.58573%0.728SS**SBendtrans-81.3112.7167.2-57.9-177.2000106.3L88 S93L88-I91 HydrophobicContact CB-CD1 3.95Å; L88-I91 HydrophobicContact CB-CG1 4.35Å; L88-I91 HydrophobicContact CD2-CD1 3.34Å; L88-I91 HydrophobicContact CD2-CG1 4.33Å; L88-I91 HydrophobicContact CG-CD1 4.14Å; L88-I91 PolarHBondContact O-N 2.95Å; I91-S93 PolarHBondContact O-N 3.09Å; I91-S93 VanDerWaalsContact O-N 3.1Å
92P41.2Very low44Very low114 Ų114133.8 Ų133.874%0.7471%0.713SS**  trans-57.7121.117721.7-30000108.6K90 T94K90-P92 VanDerWaalsContact O-CD 3.25Å; K90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-T94 PolarHBondContact O-N 3.42Å
93S41.8Very low45.1Very low81 Ų81131.6 Ų131.657%0.56671%0.707SS**  trans-53.6135.9172-170.50000108.3I91 D95I91-S93 PolarHBondContact O-N 3.09Å; I91-S93 VanDerWaalsContact O-N 3.1Å; S93-D95 PolarHBondContact O-N 3.33Å; S93-D95 PolarHBondContact OG-OD2 3.09Å
94T51.6Low46Very low110 Ų110132.7 Ų132.768%0.67571%0.714SS**G310 helixtrans-65.66.5-174.8260000115.4P92P92-T94 PolarHBondContact O-N 3.42Å
95D49.9Very low47.6Very low137 Ų137129.6 Ų129.673%0.73371%0.709SS**G310 helixtrans-81.8-12-179-63.8-52.5000114.1S93S93-D95 PolarHBondContact O-N 3.33Å; S93-D95 PolarHBondContact OG-OD2 3.09Å
96D44.2Very low48.6Very low155 Ų155122.5 Ų122.583%0.82968%0.683SS**G310 helixtrans-97.324.1178.2-72-26.5000114S98D96-S98 PolarHBondContact O-N 2.93Å; D96-S98 VanDerWaalsContact O-N 3.09Å
97K45.1Very low49.7Very low171 Ų171120.7 Ų120.774%0.74367%0.669SS**  trans-83.669.5167.8-72.3-166.3175.3-174.40110.4S99K97-S99 PolarHBondContact O-N 3.17Å
98S42.8Very low51.2Low102 Ų102122.9 Ų122.971%0.71367%0.67SS**  trans-64.5126.1155.4580000108D96 Q100D96-S98 PolarHBondContact O-N 2.93Å; D96-S98 VanDerWaalsContact O-N 3.09Å; S98-Q100 PolarHBondContact O-N 3.09Å
99S43.2Very low52.3Low114 Ų114123.8 Ų123.880%0.79767%0.665SS**  trans-57.190.3-172.7-500000112.5K97 T101K97-S99 PolarHBondContact O-N 3.17Å; S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.47Å
100Q45.8Very low52.9Low174 Ų174124.2 Ų124.281%0.81366%0.655SS**  trans-87.377.4165.2-149.7103.143.900107.9S98 L102S98-Q100 PolarHBondContact O-N 3.09Å; Q100-L102 PolarHBondContact O-N 3.44Å
101T52.1Low53.8Low122 Ų122121 Ų12175%0.74864%0.643SS**  trans-61.7115.7169.1-46.60000107.4S99 T103S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.47Å; T101-T103 PolarHBondContact O-N 3.46Å
102L50.7Low54.4Low94 Ų94119.2 Ų119.249%0.49264%0.641SS.*  trans-61.1128.7175.6-68.3169.2000108.5Q100 E106Q100-L102 PolarHBondContact O-N 3.44Å; L102-E106 HydrophobicContact CD2-CG 3.98Å
103T63.1Low55Low97 Ų97119.7 Ų119.760%0.59564%0.637SS**  trans-68.8148.4173.147.10000109.8T101 Q105 E106 L107T101-T103 PolarHBondContact O-N 3.46Å; T103-Q105 PolarHBondContact O-N 3.48Å; T103-E106 PolarHBondContact O-N 3.06Å; T103-L107 PolarHBondContact O-N 3.47Å
104D65.4Low55.6Low142 Ų142120.7 Ų120.776%0.75964%0.639SS**Hα-helixtrans-52.1-33.5-174.5-62.5-29.5000113.3E106 L107 E108D104-E106 PolarHBondContact O-N 3.16Å; D104-L107 WeakPolarHBondContact O-CB 3.27Å; D104-L107 PolarHBondContact O-N 2.96Å; D104-E108 PolarHBondContact O-N 2.67Å
105Q69.4Low55.5Low158 Ų158120.4 Ų120.474%0.73864%0.637SS**Hα-helixtrans-62.9-36.5177.1-166.4-179.68.800113.4T103 L107 R109T103-Q105 PolarHBondContact O-N 3.48Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; Q105-R109 PolarHBondContact O-N 3.15Å
106E64.8Low55.2Low59 Ų59121.6 Ų121.628%0.27664%0.638SS.*Hα-helixtrans-74.4-29.2178.2-171.758.5-160.900111L102 T103 D104 R109 Q110L102-E106 HydrophobicContact CD2-CG 3.98Å; T103-E106 PolarHBondContact O-N 3.06Å; D104-E106 PolarHBondContact O-N 3.16Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 IonicContact OE1-CZ 4Å; E106-R109 IonicContact OE1-NE 3.12Å; E106-R109 PolarHBondContact OE1-NE 2.81Å; E106-R109 VanDerWaalsContact OE1-NE 3.16Å; E106-R109 IonicContact OE1-NH2 3.4Å; E106-R109 PolarHBondContact OE1-NH2 3.12Å; E106-R109 IonicContact OE2-CZ 2.9Å; E106-R109 IonicContact OE2-NE 3.84Å; E106-R109 PolarHBondContact OE2-NE 2.78Å; E106-R109 VanDerWaalsContact OE2-NE 3.12Å; E106-R109 IonicContact OE2-NH2 2.73Å; E106-Q110 PolarHBondContact O-N 3.18Å
107L66.2Low55.2Low82 Ų82119 Ų11943%0.42963%0.632SS.*Hα-helixtrans-71.1-41.2176.8-140.8148.8000111.2T103 D104 Q105 R109 Q110 Q111T103-L107 PolarHBondContact O-N 3.47Å; D104-L107 WeakPolarHBondContact O-CB 3.27Å; D104-L107 PolarHBondContact O-N 2.96Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-Q110 PolarHBondContact O-N 3.36Å; L107-Q111 PolarHBondContact O-N 3.44Å
108E68.6Low55Low134 Ų134115 Ų11563%0.62663%0.626SS**Hα-helixtrans-63.5-39.1172.9-172.5174.2-168.200112.2D104 Q110 Q111 S112D104-E108 PolarHBondContact O-N 2.67Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 2.77Å; E108-Q111 PolarHBondContact O-N 2.94Å; E108-S112 PolarHBondContact O-N 3.17Å
109R64.3Low54.6Low145 Ų145119.7 Ų119.755%0.54763%0.629SS.*Hα-helixtrans-60.8-38175.9-162.8-17772.683.62.6112.1Q105 E106 L107 L113Q105-R109 PolarHBondContact O-N 3.15Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 IonicContact OE1-CZ 4Å; E106-R109 IonicContact OE1-NE 3.12Å; E106-R109 PolarHBondContact OE1-NE 2.81Å; E106-R109 VanDerWaalsContact OE1-NE 3.16Å; E106-R109 IonicContact OE1-NH2 3.4Å; E106-R109 PolarHBondContact OE1-NH2 3.12Å; E106-R109 IonicContact OE2-CZ 2.9Å; E106-R109 IonicContact OE2-NE 3.84Å; E106-R109 PolarHBondContact OE2-NE 2.78Å; E106-R109 VanDerWaalsContact OE2-NE 3.12Å; E106-R109 IonicContact OE2-NH2 2.73Å; L107-R109 VanDerWaalsContact C-N 3.35Å; R109-L113 PolarHBondContact O-N 2.98Å
110Q59Low54.4Low109 Ų109119.7 Ų119.751%0.50963%0.629SS.*Hα-helixtrans-70-37.2176.3-70.2-160.92.700112.6E106 L107 E108 L113E106-Q110 PolarHBondContact O-N 3.18Å; L107-Q110 PolarHBondContact O-N 3.36Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 2.77Å; Q110-L113 PolarHBondContact O-N 2.73Å
111Q59.1Low54.1Low127 Ų127116.6 Ų116.659%0.59362%0.624SS**Hα-helixtrans-67.5-37.3176.8-67-175.732.300112.1L107 E108 L113 V114L107-Q111 PolarHBondContact O-N 3.44Å; E108-Q111 PolarHBondContact O-N 2.94Å; Q111-L113 VanDerWaalsContact C-N 3.25Å; Q111-L113 PolarHBondContact O-N 2.91Å; Q111-V114 PolarHBondContact O-N 3.34Å
112S54.1Low53.3Low77 Ų77118.8 Ų118.854%0.53863%0.632SS.*Hα-helixtrans-62.3-30.5174.7-78.40000113.4E108 V114E108-S112 PolarHBondContact O-N 3.17Å; S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 3.47Å
113L53.6Low52.7Low123 Ų123119.9 Ų119.964%0.64464%0.642SS**Hα-helixtrans-70.8-28.5179.5-153.780.5000112.5R109 Q110 Q111R109-L113 PolarHBondContact O-N 2.98Å; Q110-L113 PolarHBondContact O-N 2.73Å; Q111-L113 VanDerWaalsContact C-N 3.25Å; Q111-L113 PolarHBondContact O-N 2.91Å
114V54.2Low51.2Low103 Ų103120.2 Ų120.262%0.62465%0.648SS**Hα-helixtrans-69.7-34.2-178.6176.60000111.3Q111 S112 Q116 S117Q111-V114 PolarHBondContact O-N 3.34Å; S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 3.47Å; V114-Q116 VanDerWaalsContact C-N 3.31Å; V114-Q116 PolarHBondContact O-N 2.81Å; V114-S117 PolarHBondContact O-N 3.17Å; V114-S117 PolarHBondContact O-OG 2.8Å
115V50.4Low49.6Very low104 Ų104119.1 Ų119.163%0.6365%0.652SS**Hα-helixtrans-71.4-23.1-176.1-174.70000113S117V115-S117 VanDerWaalsContact C-N 3.28Å; V115-S117 PolarHBondContact O-N 3.49Å
116Q44Very low47.9Very low162 Ų162117.4 Ų117.476%0.75765%0.653SS**G310 helixtrans-77.4-9.1-178.5-70.3-170.3-16.700114.5V114V114-Q116 VanDerWaalsContact C-N 3.31Å; V114-Q116 PolarHBondContact O-N 2.81Å
117S43.4Very low46.3Very low99 Ų99121.2 Ų121.269%0.69268%0.675SS**G310 helixtrans-85.7-5.2-17662.20000115V114 V115V114-S117 PolarHBondContact O-N 3.17Å; V114-S117 PolarHBondContact O-OG 2.8Å; V115-S117 VanDerWaalsContact C-N 3.28Å; V115-S117 PolarHBondContact O-N 3.49Å
118S41.2Very low44.7Very low89 Ų89123.8 Ų123.862%0.62269%0.689SS**G310 helixtrans-93.3-5.6-172.8-40.60000115.7
119Y34.7Very low43.2Very low199 Ų199127.7 Ų127.778%0.7870%0.699SS**  trans-123.678.3-177.7-67.1-84000111.7
120S37.6Very low41.9Very low114 Ų114130.6 Ų130.680%0.79772%0.716SS**  trans-134.890.9153.1-81.10000107.6N122S120-N122 PolarHBondContact O-N 3.08Å; S120-N122 VanDerWaalsContact O-N 3.13Å
121P39.4Very low41Very low109 Ų109130.1 Ų130.171%0.70873%0.725SS**  trans-69112.8177.526.7-27.9000108.6T123P121-T123 PolarHBondContact O-N 3.21Å
122N35.5Very low40.1Very low169 Ų169128.8 Ų128.890%0.90472%0.722SS**  trans-47.1103.9164.3-84.5-26.3000109.6S120S120-N122 PolarHBondContact O-N 3.08Å; S120-N122 VanDerWaalsContact O-N 3.13Å
123T38Very low39.6Very low117 Ų117129.3 Ų129.372%0.71873%0.726SS**  trans-136.5138.5164.8570000110.1P121P121-T123 PolarHBondContact O-N 3.21Å
124S32.2Very low39.3Very low103 Ų103132.3 Ų132.372%0.7273%0.729SS**  trans91.484.7161-39.70000116.5T126S124-T126 PolarHBondContact O-N 3.02Å
125S32Very low38.7Very low120 Ų120134.3 Ų134.384%0.83974%0.736SS**  trans-51.5109.3151.451.80000112.1
126T34.2Very low38.3Very low122 Ų122135.5 Ų135.575%0.74874%0.743SS**  trans-160.2106.6155.57.60000111.2S124S124-T126 PolarHBondContact O-N 3.02Å
127N30.6Very low38.7Very low139 Ų139137 Ų13774%0.74374%0.742SS**  trans32124.8140.3-69-35.4000121.4
128N33.1Very low38.6Very low135 Ų135141.6 Ų141.672%0.72275%0.749SS**  trans65.597.9138.6-56.8-25.8000117.9
129Y37.1Very low38.7Very low216 Ų216146.6 Ų146.685%0.84776%0.756SS**  -177.2141.697.8-110.4-98.8000106.2S131Y129-S131 PolarHBondContact O-N 2.99Å
130F37.3Very low39Very low206 Ų206148.7 Ų148.790%0.90476%0.762SS**  trans-63.468.3170.6-117-100.4000109.1D132F130-D132 PolarHBondContact O-N 3.3Å
131S39.6Very low39.2Very low100 Ų100148.2 Ų148.270%0.69976%0.759SS**  trans-75.194.5162.8-73.90000104.4Y129 S133Y129-S131 PolarHBondContact O-N 2.99Å; S131-S133 PolarHBondContact O-N 2.74Å
132D40.5Very low39.4Very low99 Ų99147.6 Ų147.653%0.52976%0.763SS.*  trans-58.267.5170.5-158.610.1000108.4F130 R134F130-D132 PolarHBondContact O-N 3.3Å; D132-R134 PolarHBondContact O-N 3.35Å; D132-R134 IonicContact OD1-NE 3.16Å; D132-R134 PolarHBondContact OD1-NE 3.24Å; D132-R134 IonicContact OD2-CZ 2.7Å; D132-R134 VanDerWaalsContact OD2-CZ 3.28Å; D132-R134 IonicContact OD2-NE 4Å; D132-R134 PolarHBondContact OD2-NE 2.87Å; D132-R134 IonicContact OD2-NH2 3.35Å; D132-R134 PolarHBondContact OD2-NH2 2.73Å
133S44.1Very low39.6Very low88 Ų88146.8 Ų146.862%0.61576%0.759SS**  trans-74.862.516561.70000106.2S131 N135S131-S133 PolarHBondContact O-N 2.74Å; S133-N135 PolarHBondContact O-N 2.94Å
134R45.9Very low39.7Very low185 Ų185145.5 Ų145.570%0.69876%0.755SS**  trans-49.394.4142.2-80.3-177.4-101.3179.3-3.7103.8D132 V136D132-R134 PolarHBondContact O-N 3.35Å; D132-R134 IonicContact OD1-NE 3.16Å; D132-R134 PolarHBondContact OD1-NE 3.24Å; D132-R134 IonicContact OD2-CZ 2.7Å; D132-R134 VanDerWaalsContact OD2-CZ 3.28Å; D132-R134 IonicContact OD2-NE 4Å; D132-R134 PolarHBondContact OD2-NE 2.87Å; D132-R134 IonicContact OD2-NH2 3.35Å; D132-R134 PolarHBondContact OD2-NH2 2.73Å; R134-V136 PolarHBondContact O-N 3.23Å
135N41.4Very low40Very low146 Ų146150.5 Ų150.578%0.78176%0.764SS**  trans-48.495.5168.1-81.2-58.2000104.5S133 R137S133-N135 PolarHBondContact O-N 2.94Å; N135-R137 PolarHBondContact O-N 3.47Å
136V43.5Very low40.2Very low129 Ų129149.7 Ų149.778%0.78276%0.758SS**  trans-64.377.8165.4-97.40000103.1R134 K138R134-V136 PolarHBondContact O-N 3.23Å; V136-K138 PolarHBondContact O-N 3.4Å
137R51.7Low40.5Very low194 Ų194149.5 Ų149.573%0.73276%0.759SS**  trans-57.395.1161.6-165.8175.5-77-165.6-3.5101.4N135 Y139N135-R137 PolarHBondContact O-N 3.47Å; R137-Y139 HydrophobicContact CB-CE2 4.34Å; R137-Y139 WeakPolarHBondContact O-CD2 3.24Å; R137-Y139 PolarHBondContact O-N 3.23Å
138K41.9Very low41.2Very low194 Ų194148 Ų14884%0.84376%0.76SS**  trans-59.192.7177.3-77.4179.5177.1177.80105V136 R140V136-K138 PolarHBondContact O-N 3.4Å; K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 2.94Å
139Y42.7Very low41.4Very low194 Ų194150.2 Ų150.276%0.76177%0.765SS**  trans-62.8103.8167.2-71.1-84.7000104.7R137 S141R137-Y139 HydrophobicContact CB-CE2 4.34Å; R137-Y139 WeakPolarHBondContact O-CD2 3.24Å; R137-Y139 PolarHBondContact O-N 3.23Å; Y139-S141 PolarHBondContact O-N 3.18Å
140R40.3Very low41.6Very low243 Ų243151.7 Ų151.792%0.91777%0.77SS**  trans-55.3115.7162.2-97.6-177170.9162.1-2.8105.3K138 A142K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 2.94Å; R140-A142 PolarHBondContact O-N 3.07Å
141S42.9Very low41.7Very low104 Ų104153.1 Ų153.173%0.72777%0.769SS**  trans-47.8123.8173.4-56.80000108.9Y139 N143Y139-S141 PolarHBondContact O-N 3.18Å; S141-N143 PolarHBondContact O-N 3.05Å
142A43.6Very low41.6Very low97 Ų97156.9 Ų156.980%0.80278%0.776SS**  trans-7267.6177.500000110.1R140R140-A142 PolarHBondContact O-N 3.07Å
143N39.9Very low41.8Very low152 Ų152158 Ų15881%0.81379%0.789SS**  trans-102.360.3167.4-7817000108.9S141S141-N143 PolarHBondContact O-N 3.05Å
144S38.5Very low41.8Very low90 Ų90161.7 Ų161.763%0.62980%0.8SS**  trans-162.755.9170.2700000112.7
145F39.4Very low41.6Very low207 Ų207161.7 Ų161.791%0.90881%0.805SS**  trans-136.785.1152.9-87.2-79000107.7
146S36.3Very low41.6Very low103 Ų103160.6 Ų160.672%0.7281%0.806SS**  trans-54.7131.6161.4-460000107.8S148S146-S148 PolarHBondContact O-N 2.85Å
147P40.3Very low41.5Very low119 Ų119160.4 Ų160.477%0.77381%0.805SS**  trans-68.596.3176.426.2-30000108.3E149P147-E149 PolarHBondContact O-N 3.31Å; P147-E149 VanDerWaalsContact O-N 3.13Å
148S44.8Very low40.9Very low107 Ų107157.2 Ų157.275%0.74881%0.807SS**  trans-64.7110.9167.846.10000107.9S146 W150S146-S148 PolarHBondContact O-N 2.85Å; S148-W150 PolarHBondContact O-N 2.75Å
149E38.1Very low40.7Very low181 Ų181155.4 Ų155.485%0.84681%0.805SS**  trans2.5103.8164.5-75.1171.4140.500114.4P147 R151P147-E149 PolarHBondContact O-N 3.31Å; P147-E149 VanDerWaalsContact O-N 3.13Å; E149-R151 VanDerWaalsContact C-N 3.34Å; E149-R151 PolarHBondContact O-N 3.19Å
150W40.1Very low40.3Very low248 Ų248153.3 Ų153.394%0.93981%0.806SS**  trans-60.5102163.5-75.486.3000107.7S148S148-W150 PolarHBondContact O-N 2.75Å
151R39.6Very low40.1Very low236 Ų236147 Ų14789%0.89180%0.8SS**PPolyproline II helixtrans-52.4143.9173.2-77.4-157.3-171.7-117.18.1110.4E149E149-R151 VanDerWaalsContact C-N 3.34Å; E149-R151 PolarHBondContact O-N 3.19Å
152E38.7Very low39.8Very low178 Ų178153.4 Ų153.483%0.83281%0.808SS**PPolyproline II helixtrans-52145-174.2-67170.6156.100113.3I154E152-I154 PolarHBondContact O-N 3.19Å
153P43.4Very low39.5Very low124 Ų124156.7 Ų156.781%0.80581%0.807SS**PPolyproline II helixtrans-59.3126.8-174.9-20.231000112.1K155P153-K155 PolarHBondContact O-N 3.3Å
154I45.3Very low39.6Very low165 Ų165155.9 Ų155.985%0.84681%0.81SS**PPolyproline II helixtrans-56.5121.6172.7-59.8166.5000108.1E152E152-I154 PolarHBondContact O-N 3.19Å
155K41.4Very low39.2Very low184 Ų184155.3 Ų155.380%0.881%0.806SS**PPolyproline II helixtrans-54.2130.5-179.1-71.6176.4179.1176.10110.2P153 T157P153-K155 PolarHBondContact O-N 3.3Å; K155-T157 PolarHBondContact O-N 3.01Å; K155-T157 VanDerWaalsContact O-N 3.08Å
156P41.8Very low39Very low124 Ų124154.9 Ų154.981%0.80580%0.803SS**  trans-63.2115.9-179.824.7-31.9000109.2T158P156-T158 PolarHBondContact O-N 3.42Å
157T41.2Very low38.7Very low125 Ų125156 Ų15677%0.76781%0.812SS**  trans-71.4119.8173-46.30000107.4K155 I159K155-T157 PolarHBondContact O-N 3.01Å; K155-T157 VanDerWaalsContact O-N 3.08Å; T157-I159 PolarHBondContact O-N 3.41Å
158T38.5Very low38.4Very low126 Ų126155.4 Ų155.477%0.77381%0.81SS**  trans-58100.8178.9-51.90000110.1P156 L160P156-T158 PolarHBondContact O-N 3.42Å; T158-L160 PolarHBondContact O-N 3.12Å
159I37.3Very low37.7Very low157 Ų157154.8 Ų154.881%0.80581%0.812SS**  trans-76.6104.5173.8-57175.5000107T157 S161T157-I159 PolarHBondContact O-N 3.41Å; I159-S161 PolarHBondContact O-N 3.16Å
160L34.8Very low37.5Very low150 Ų150151.5 Ų151.579%0.78581%0.808SS**  trans-58.2132.4171.5-77.3162.2000109.9T158 R162T158-L160 PolarHBondContact O-N 3.12Å; L160-R162 PolarHBondContact O-N 3.02Å; L160-R162 VanDerWaalsContact O-N 3.12Å
161S36.4Very low37.4Very low111 Ų111144.7 Ų144.778%0.77680%0.796SS**  trans-59.8114.2-179.363.50000110.4I159 Q163I159-S161 PolarHBondContact O-N 3.16Å; S161-Q163 PolarHBondContact O-N 2.96Å
162R37.1Very low37.1Very low237 Ų237137.8 Ų137.889%0.89479%0.789SS**  trans-66.8117.2173.5-65.5175.775.6149.91108L160L160-R162 PolarHBondContact O-N 3.02Å; L160-R162 VanDerWaalsContact O-N 3.12Å
163Q36.1Very low37.1Very low167 Ų167140.3 Ų140.378%0.7879%0.792SS**  trans-59.9135.5173.9-72.3-162.1-42.900110S161 S165S161-Q163 PolarHBondContact O-N 2.96Å; Q163-S165 PolarHBondContact O-N 2.79Å; Q163-S165 VanDerWaalsContact O-N 3.09Å
164P41.8Very low36.6Very low135 Ų135143.3 Ų143.388%0.87779%0.792SS**  trans-79.194.1177.531.3-30.7000108.4
165S30.3Very low36.3Very low78 Ų78143.4 Ų143.455%0.54579%0.794SS.*  trans-110146168.7-56.90000109.6Q163Q163-S165 PolarHBondContact O-N 2.79Å; Q163-S165 VanDerWaalsContact O-N 3.09Å
166F35.7Very low35.9Very low197 Ų197145.3 Ų145.386%0.86480%0.796SS**  trans90.679.2178.7-46.5-64.7000116S168F166-S168 PolarHBondContact O-N 3.39Å; F166-S168 VanDerWaalsContact O-N 3.16Å
167S30.6Very low35.4Very low128 Ų128147.9 Ų147.990%0.89580%0.798SS**  trans-46.2105.7142.3-172.30000109.6
168S33.4Very low35.2Very low106 Ų106149.7 Ų149.774%0.74180%0.801SS**PPolyproline II helixtrans-90.5117.2160.653.10000107.6F166 S170F166-S168 PolarHBondContact O-N 3.39Å; F166-S168 VanDerWaalsContact O-N 3.16Å; S168-S170 PolarHBondContact O-N 3.23Å; S168-S170 VanDerWaalsContact O-N 3.11Å
169A31.1Very low34.8Very low94 Ų94150.1 Ų150.178%0.77780%0.797SS**PPolyproline II helixtrans-54.9117.8177.500000109.6
170S32.4Very low34.8Very low111 Ų111148.2 Ų148.278%0.77680%0.795SS**PPolyproline II helixtrans-59.2131.6168.9-67.50000108.2S168 A172S168-S170 PolarHBondContact O-N 3.23Å; S168-S170 VanDerWaalsContact O-N 3.11Å; S170-A172 PolarHBondContact O-N 2.82Å
171P37.8Very low34.9Very low105 Ų105147 Ų14768%0.68279%0.793SS**PPolyproline II helixtrans-60.1128.5-176.7-17.328.7000109W173P171-W173 PolarHBondContact O-N 3.43Å
172A34.8Very low34.6Very low91 Ų91148.8 Ų148.875%0.75279%0.794SS**  trans-62.4109170.400000108S170 K174S170-A172 PolarHBondContact O-N 2.82Å; A172-K174 PolarHBondContact O-N 2.8Å
173W37.9Very low34.5Very low231 Ų231142.1 Ų142.188%0.87579%0.79SS**  trans-66.9103173.8-68.217.9000105.7P171 D175P171-W173 PolarHBondContact O-N 3.43Å; W173-D175 PolarHBondContact O-N 2.94Å; W173-D175 VanDerWaalsContact O-N 3.16Å
174K33Very low34.3Very low188 Ų188141.1 Ų141.182%0.81779%0.79SS**  trans-57.8120.9170.9-65178.6178-175.30106.1A172 R176A172-K174 PolarHBondContact O-N 2.8Å; K174-R176 PolarHBondContact O-N 2.71Å
175D38.1Very low34.1Very low166 Ų166141.7 Ų141.789%0.88879%0.785SS**  trans-52.583.2168.2-69.2-46.6000108.8W173 E177W173-D175 PolarHBondContact O-N 2.94Å; W173-D175 VanDerWaalsContact O-N 3.16Å; D175-E177 PolarHBondContact O-N 3.05Å
176R33.7Very low34.4Very low224 Ų224144.3 Ų144.385%0.84579%0.793SS**  trans-79.2104.8166.5-88.3-174172.7-172.8-2105K174 I178K174-R176 PolarHBondContact O-N 2.71Å; R176-I178 PolarHBondContact O-N 3.29Å
177E32Very low34.6Very low179 Ų179140.6 Ų140.684%0.83679%0.792SS**  trans-37.1112.8163.8-73.8178.814800109.2D175 I179D175-E177 PolarHBondContact O-N 3.05Å; E177-I179 VanDerWaalsContact C-N 3.26Å; E177-I179 PolarHBondContact O-N 3.36Å
178I36.9Very low35Very low162 Ų162141.3 Ų141.383%0.83178%0.783SS**  trans-73.891.8174.1-59.4169.5000104.9R176 P180R176-I178 PolarHBondContact O-N 3.29Å; I178-P180 VanDerWaalsContact O-CD 3.24Å; I178-P180 WeakPolarHBondContact O-CD 3.11Å; I178-P180 VanDerWaalsContact O-N 3.17Å
179I29.4Very low35Very low136 Ų136141.6 Ų141.670%0.69778%0.776SS**  trans-58.9117167.7-60.7170000106E177 V181E177-I179 VanDerWaalsContact C-N 3.26Å; E177-I179 PolarHBondContact O-N 3.36Å; I179-V181 VanDerWaalsContact C-N 3.3Å; I179-V181 PolarHBondContact O-N 3.22Å
180P37.5Very low35.5Very low116 Ų116146.5 Ų146.575%0.75378%0.78SS**  trans-70.793177.628.1-30.9000107.8I178 N182I178-P180 VanDerWaalsContact O-CD 3.24Å; I178-P180 WeakPolarHBondContact O-CD 3.11Å; I178-P180 VanDerWaalsContact O-N 3.17Å; P180-N182 PolarHBondContact O-N 3.48Å
181V37.6Very low35.7Very low125 Ų125145.7 Ų145.776%0.75877%0.767SS**  trans-65.4107.1167.7169.20000106.6I179 A183I179-V181 VanDerWaalsContact C-N 3.3Å; I179-V181 PolarHBondContact O-N 3.22Å; V181-A183 PolarHBondContact O-N 2.7Å
182N29Very low35.9Very low149 Ų149147.5 Ų147.580%0.79778%0.776SS**  trans-6.784.4166.3-82.1-28.6000114.3P180 N184P180-N182 PolarHBondContact O-N 3.48Å; N182-N184 PolarHBondContact O-N 3.2Å
183A35.9Very low36.1Very low97 Ų97149.1 Ų149.180%0.80277%0.772SS**  trans-89.363163.500000108.1V181 D185V181-A183 PolarHBondContact O-N 2.7Å; A183-D185 PolarHBondContact O-N 3.16Å; A183-D185 VanDerWaalsContact O-N 3.15Å
184N32.3Very low36.4Very low146 Ų146145.9 Ų145.978%0.78177%0.77SS**  trans-74.983.7150.3-87.8-24.8000105.4N182N182-N184 PolarHBondContact O-N 3.2Å
185D36.6Very low36.7Very low146 Ų146144.4 Ų144.478%0.78176%0.761SS**SBendtrans-162.9105.2149.8-98.1-20.3000108.2A183A183-D185 PolarHBondContact O-N 3.16Å; A183-D185 VanDerWaalsContact O-N 3.15Å
186D38Very low36.9Very low133 Ų133141.8 Ų141.871%0.71174%0.743SS**  trans52.791.9162.9-64-22.4000117.2M188D186-M188 VanDerWaalsContact C-N 3.29Å; D186-M188 PolarHBondContact O-N 3.12Å
187S38.6Very low37.7Very low119 Ų119135 Ų13583%0.83273%0.728SS**  trans-44.495.2150.960.80000109.9N189S187-N189 PolarHBondContact O-N 3.45Å
188M38.7Very low38.5Very low143 Ų143131.9 Ų131.970%0.70471%0.713SS**  trans-62.997164.9-73.9-71.8-175.900106.5D186 K190D186-M188 VanDerWaalsContact C-N 3.29Å; D186-M188 PolarHBondContact O-N 3.12Å; M188-K190 PolarHBondContact O-N 3.38Å
189N34Very low38.9Very low113 Ų113128.3 Ų128.360%0.60470%0.699SS**  trans-42120.2172.6-179.72.1000108.9S187 N191S187-N189 PolarHBondContact O-N 3.45Å; N189-N191 VanDerWaalsContact ND2-CG 3.27Å; N189-N191 PolarHBondContact ND2-ND2 3.33Å; N189-N191 PolarHBondContact ND2-OD1 3.21Å; N189-N191 PolarHBondContact O-N 3.26Å; N189-N191 PolarHBondContact OD1-N 3.1Å; N189-N191 PolarHBondContact OD1-OD1 3.43Å
190K40.9Very low39.9Very low196 Ų196125.2 Ų125.285%0.85268%0.681SS**  trans-73.446.6178.8-60179.9-177.7178.60110.9M188 T192M188-K190 PolarHBondContact O-N 3.38Å; K190-T192 PolarHBondContact O-N 3.02Å; K190-T192 VanDerWaalsContact O-N 3.08Å
191N37.1Very low40.4Very low95 Ų95121.4 Ų121.451%0.50865%0.654SS.*  trans-70.2104166.5-75.9-3.9000106.7N189 D193N189-N191 VanDerWaalsContact ND2-CG 3.27Å; N189-N191 PolarHBondContact ND2-ND2 3.33Å; N189-N191 PolarHBondContact ND2-OD1 3.21Å; N189-N191 PolarHBondContact O-N 3.26Å; N189-N191 PolarHBondContact OD1-N 3.1Å; N189-N191 PolarHBondContact OD1-OD1 3.43Å; N191-D193 PolarHBondContact O-N 3.09Å
192T43Very low41.1Very low142 Ų142121.8 Ų121.887%0.87165%0.645SS**  trans-64.63017322.20000113.8K190 I194K190-T192 PolarHBondContact O-N 3.02Å; K190-T192 VanDerWaalsContact O-N 3.08Å; T192-I194 PolarHBondContact O-N 3.18Å
193D39.2Very low42.2Very low126 Ų126122.2 Ų122.267%0.67464%0.64SS**SBendtrans-80.590.9171.9-70.5-30.8000108.2N191 Y195N191-D193 PolarHBondContact O-N 3.09Å; D193-Y195 VanDerWaalsContact C-N 3.34Å; D193-Y195 PolarHBondContact O-N 3.2Å
194I43.2Very low42.9Very low162 Ų162121.1 Ų121.183%0.83162%0.617SS**  trans31.268.9152.4-49.8173.5000111.2T192 E196T192-I194 PolarHBondContact O-N 3.18Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 3.44Å
195Y38.5Very low44Very low157 Ų157118.6 Ų118.662%0.61660%0.603SS**  trans-70.888.8-178.2-136-99.2000107.6D193 P197 F200D193-Y195 VanDerWaalsContact C-N 3.34Å; D193-Y195 PolarHBondContact O-N 3.2Å; Y195-P197 VanDerWaalsContact O-CD 3.24Å; Y195-P197 WeakPolarHBondContact O-CD 3.34Å; Y195-P197 VanDerWaalsContact O-N 3.11Å; Y195-F200 HydrophobicContact CE1-CB 4.05Å; Y195-F200 AromaticContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CE2 4.3Å; Y195-F200 AromaticContact CE1-CG 3.99Å; Y195-F200 HydrophobicContact CE1-CG 3.99Å
196E44Very low44.8Very low112 Ų112116.1 Ų116.152%0.52360%0.597SS.*  trans-64.5110.9179.5-163.9-180-14600107.5I194 E198 V199I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 3.44Å; E196-E198 PolarHBondContact O-N 2.89Å; E196-V199 HydrophobicContact CB-CG2 4.36Å; E196-V199 PolarHBondContact O-N 3.34Å
197P49.7Very low45.6Very low82 Ų82116.4 Ų116.453%0.53259%0.594SS.*Hα-helixtrans-58.4-26.8-169.221.4-32.3000112Y195 V199 F200 I201Y195-P197 VanDerWaalsContact O-CD 3.24Å; Y195-P197 WeakPolarHBondContact O-CD 3.34Å; Y195-P197 VanDerWaalsContact O-N 3.11Å; P197-V199 PolarHBondContact O-N 2.9Å; P197-F200 PolarHBondContact O-N 2.88Å; P197-I201 WeakPolarHBondContact O-CD1 3.49Å; P197-I201 VanDerWaalsContact O-CG1 3.27Å; P197-I201 WeakPolarHBondContact O-CG1 3.39Å; P197-I201 PolarHBondContact O-N 3.02Å
198E47.7Very low46Very low112 Ų112114.3 Ų114.352%0.52359%0.592SS.*Hα-helixtrans-62-39.9178.3-62.2-165.8-175.400114.1E196 K202E196-E198 PolarHBondContact O-N 2.89Å; E198-K202 VanDerWaalsContact O-CG 3.32Å; E198-K202 WeakPolarHBondContact O-CG 3.25Å; E198-K202 PolarHBondContact O-N 2.69Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 IonicContact OE2-NZ 3.21Å
199V46.6Very low46.4Very low88 Ų88109.1 Ų109.153%0.53357%0.569SS.*Hα-helixtrans-68.3-40.8-177.5178.60000110E196 P197 K202 K203E196-V199 HydrophobicContact CB-CG2 4.36Å; E196-V199 PolarHBondContact O-N 3.34Å; P197-V199 PolarHBondContact O-N 2.9Å; V199-K202 PolarHBondContact O-N 3.26Å; V199-K203 PolarHBondContact O-N 3.16Å; V199-K203 VanDerWaalsContact O-N 3.09Å
200F49.5Very low47Very low71 Ų71107.1 Ų107.131%0.31156%0.558SS.*Hα-helixtrans-67.3-42.3-179.3-167.3-102.2000112.2Y195 P197 K202 K203 K204Y195-F200 HydrophobicContact CE1-CB 4.05Å; Y195-F200 AromaticContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CE2 4.3Å; Y195-F200 AromaticContact CE1-CG 3.99Å; Y195-F200 HydrophobicContact CE1-CG 3.99Å; P197-F200 PolarHBondContact O-N 2.88Å; F200-K202 PolarHBondContact O-N 3.26Å; F200-K203 PolarHBondContact O-N 3.37Å; F200-K204 HydrophobicContact CD1-CG 4.29Å; F200-K204 HydrophobicContact CE1-CG 3.99Å; F200-K204 HydrophobicContact CZ-CG 4.32Å; F200-K204 WeakPolarHBondContact O-CG 3.24Å; F200-K204 PolarHBondContact O-N 2.85Å; F200-K204 VanDerWaalsContact O-N 3.09Å
201I48.5Very low47.1Very low35 Ų3599.2 Ų99.218%0.17953%0.525CS..Hα-helixtrans-61.9-45.5177.2-64161.1000110.5I9 P197 K203 K204 L205I9-I201 HydrophobicContact CB-CD1 3.93Å; I9-I201 HydrophobicContact CB-CG1 4.37Å; I9-I201 HydrophobicContact CD1-CD1 3.46Å; I9-I201 VanDerWaalsContact CD1-CD1 3.46Å; I9-I201 HydrophobicContact CG1-CD1 4.26Å; I9-I201 HydrophobicContact CG2-CD1 3.79Å; I9-I201 HydrophobicContact CG2-CG1 3.88Å; P197-I201 WeakPolarHBondContact O-CD1 3.49Å; P197-I201 VanDerWaalsContact O-CG1 3.27Å; P197-I201 WeakPolarHBondContact O-CG1 3.39Å; P197-I201 PolarHBondContact O-N 3.02Å; I201-K203 VanDerWaalsContact C-N 3.35Å; I201-K203 PolarHBondContact O-N 3.39Å; I201-K204 PolarHBondContact O-N 3.23Å; I201-L205 HydrophobicContact CG2-CD1 3.7Å; I201-L205 HydrophobicContact CG2-CG 4.15Å; I201-L205 WeakPolarHBondContact O-CG 3.49Å; I201-L205 PolarHBondContact O-N 2.94Å
202K52Low47.5Very low134 Ų13499.5 Ų99.558%0.58352%0.519SS*.Hα-helixtrans-58.8-44.7177.9-74.6169.5-174.7160.80111.9E198 V199 F200 K204 L205 S206E198-K202 VanDerWaalsContact O-CG 3.32Å; E198-K202 WeakPolarHBondContact O-CG 3.25Å; E198-K202 PolarHBondContact O-N 2.69Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 IonicContact OE2-NZ 3.21Å; V199-K202 PolarHBondContact O-N 3.26Å; F200-K202 PolarHBondContact O-N 3.26Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.28Å; K202-L205 PolarHBondContact O-N 3.05Å; K202-S206 PolarHBondContact O-N 3.23Å
203K53.3Low47.7Very low158 Ų15897 Ų9769%0.68750%0.499SS*.Hα-helixtrans-61.7-42.3178.3-170.6175.8179.1179.50111.3V199 F200 I201 S206V199-K203 PolarHBondContact O-N 3.16Å; V199-K203 VanDerWaalsContact O-N 3.09Å; F200-K203 PolarHBondContact O-N 3.37Å; I201-K203 VanDerWaalsContact C-N 3.35Å; I201-K203 PolarHBondContact O-N 3.39Å; K203-S206 PolarHBondContact O-OG 3.11Å
204K50.2Low47.9Very low73 Ų7395.7 Ų95.732%0.31749%0.486SS..Hα-helixtrans-67.3-47.6178.7-70.2-70.3-178.1-179.50112.3F200 I201 K202 S206 Q207 H211F200-K204 HydrophobicContact CD1-CG 4.29Å; F200-K204 HydrophobicContact CE1-CG 3.99Å; F200-K204 HydrophobicContact CZ-CG 4.32Å; F200-K204 WeakPolarHBondContact O-CG 3.24Å; F200-K204 PolarHBondContact O-N 2.85Å; F200-K204 VanDerWaalsContact O-N 3.09Å; I201-K204 PolarHBondContact O-N 3.23Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.28Å; K204-S206 PolarHBondContact O-N 3.09Å; K204-S206 VanDerWaalsContact O-N 3.12Å; K204-Q207 PolarHBondContact O-N 3.31Å; K204-Q207 VanDerWaalsContact O-N 3.16Å; K204-H211 VanDerWaalsContact C-CE1 3.43Å; K204-H211 PolarHBondContact O-CE1 3.13Å; K204-H211 PolarHBondContact O-NE2 3.32Å; K204-H211 VanDerWaalsContact O-NE2 3.13Å
205L54.7Low48Very low93 Ų9392.7 Ų92.749%0.48747%0.47SS..Hα-helixtrans-59-27.9179.1-70.1173.1000114I201 K202 Q207 H211I201-L205 HydrophobicContact CG2-CD1 3.7Å; I201-L205 HydrophobicContact CG2-CG 4.15Å; I201-L205 WeakPolarHBondContact O-CG 3.49Å; I201-L205 PolarHBondContact O-N 2.94Å; K202-L205 PolarHBondContact O-N 3.05Å; L205-Q207 PolarHBondContact O-N 3.16Å; L205-H211 HydrophobicContact CD2-CB 3.85Å
206S53.6Low48.2Very low95 Ų9590.4 Ų90.466%0.66447%0.473SS*.THydrogen-bonded Turntrans-65.4-14.8179.771.10000114.7K202 K203 K204 G208K202-S206 PolarHBondContact O-N 3.23Å; K203-S206 PolarHBondContact O-OG 3.11Å; K204-S206 PolarHBondContact O-N 3.09Å; K204-S206 VanDerWaalsContact O-N 3.12Å; S206-G208 VanDerWaalsContact C-N 3.27Å; S206-G208 PolarHBondContact O-N 2.89Å
207Q54.3Low47.9Very low139 Ų13992.8 Ų92.865%0.6548%0.484SS*.THydrogen-bonded Turntrans-84.611.4-175.9-65.3-170.8-4900114.6K204 L205 S209K204-Q207 PolarHBondContact O-N 3.31Å; K204-Q207 VanDerWaalsContact O-N 3.16Å; L205-Q207 PolarHBondContact O-N 3.16Å; Q207-S209 PolarHBondContact O-N 3.45Å
208G48.4Very low47.5Very low75 Ų7591.9 Ų91.977%0.77349%0.49SS*.SBendtrans69.10.2172.200000115.3S206S206-G208 VanDerWaalsContact C-N 3.27Å; S206-G208 PolarHBondContact O-N 2.89Å
209S46.6Very low47.4Very low34 Ų3498.3 Ų98.324%0.23851%0.509CS..SBendtrans-80.7145.4172.629.80000110.7Q207 H211Q207-S209 PolarHBondContact O-N 3.45Å; S209-H211 PolarHBondContact O-CE1 3.2Å; S209-H211 PolarHBondContact O-N 2.94Å; S209-H211 PolarHBondContact O-ND1 3.35Å; S209-H211 PolarHBondContact OG-CE1 3.09Å
210N47.3Very low47Very low70 Ų70101.4 Ų101.437%0.37452%0.523SS..  trans-68.5132.6169-51.1-55.4000107.8D14 N34D14-N210 WeakPolarHBondContact OD2-CB 3.32Å; D14-N210 PolarHBondContact OD2-ND2 2.98Å; N34-N210 PolarHBondContact ND2-OD1 3.08Å
211H41.7Very low46.2Very low31 Ų31102.8 Ų102.814%0.14454%0.541CS..EExtended strand (participates in β ladder)trans-116.3121.3179.7-66.682.3000108.8K204 L205 S209K204-H211 VanDerWaalsContact C-CE1 3.43Å; K204-H211 PolarHBondContact O-CE1 3.13Å; K204-H211 PolarHBondContact O-NE2 3.32Å; K204-H211 VanDerWaalsContact O-NE2 3.13Å; L205-H211 HydrophobicContact CD2-CB 3.85Å; S209-H211 PolarHBondContact O-CE1 3.2Å; S209-H211 PolarHBondContact O-N 2.94Å; S209-H211 PolarHBondContact O-ND1 3.35Å; S209-H211 PolarHBondContact OG-CE1 3.09Å
212Y44.9Very low45.8Very low100 Ų100110.5 Ų110.539%0.39259%0.593SS.*EExtended strand (participates in β ladder)trans-84.4134.6170.4-63.4-83.5000109.4S11 D14 V29S11-Y212 WeakPolarHBondContact CA-O 3.44Å; D14-Y212 WeakPolarHBondContact OD1-CE2 3.33Å; V29-Y212 HydrophobicContact CG1-CD1 4.34Å; V29-Y212 HydrophobicContact CG1-CE1 4.2Å
213I48.9Very low45.5Very low89 Ų89109.4 Ų109.446%0.45659%0.594SS.*EExtended strand (participates in β ladder)trans-104.2109.8175.5-63.6174.9000107.4I9 I215I9-I213 HydrophobicContact CB-CG2 4.19Å; I9-I213 HydrophobicContact CD1-CG2 4.42Å; I9-I213 HydrophobicContact CG1-CG2 3.83Å; I9-I213 HydrophobicContact CG2-CB 4.23Å; I9-I213 HydrophobicContact CG2-CD1 4.26Å; I9-I213 HydrophobicContact CG2-CG1 3.83Å; I9-I213 HydrophobicContact CG2-CG2 3.69Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å
214Y42.6Very low45.1Very low100 Ų100106.8 Ų106.839%0.39259%0.589SS.*EExtended strand (participates in β ladder)trans-86.9122.4173.1-65.4-86.2000109.8I12I12-Y214 HydrophobicContact CD1-CE2 3.87Å; I12-Y214 HydrophobicContact CG1-CE2 4.35Å
215I46.2Very low44.8Very low98 Ų98108.7 Ų108.750%0.50360%0.604SS.*  trans-110.8107.7174.8-56174.1000107.3I7 I213I7-I215 HydrophobicContact CG2-CG2 4.4Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å
216T42.5Very low44.2Very low109 Ų109109.6 Ų109.667%0.66961%0.611SS**  trans-95.1122.5176.838.40000111G218T216-G218 PolarHBondContact O-N 3.12Å
217H37.7Very low43.6Very low163 Ų163110.5 Ų110.576%0.75561%0.608SS**  trans-86.298.2175.9-63.1-73.9000109.9R219H217-R219 PolarHBondContact O-N 3.21Å
218G39.6Very low42.9Very low63 Ų63108.6 Ų108.665%0.64961%0.605SS**  trans-73.5113.4170.500000110.6T216 N220T216-G218 PolarHBondContact O-N 3.12Å; G218-N220 PolarHBondContact O-N 3.19Å
219R46.9Very low42.5Very low247 Ų247111 Ų11193%0.93259%0.593SS**THydrogen-bonded Turntrans-68.1-9.8172.6-86.4-175172169.6-2.3113.8H217H217-R219 PolarHBondContact O-N 3.21Å
220N37.2Very low42.2Very low153 Ų153116.9 Ų116.982%0.81862%0.62SS**THydrogen-bonded Turntrans-127.850.2-171.6-59.6-20000112.6G218G218-N220 PolarHBondContact O-N 3.19Å
221S32.7Very low41.8Very low99 Ų99120.8 Ų120.869%0.69264%0.641SS**  trans-77.5126.5161.974.20000108.5
222P40.8Very low41.8Very low198 Ų198129 Ų129100%1.28669%0.686SS**  trans-60.70-177.325.3-33.9000113.9

Retrieved 222 of 222 residues in 161.2 ms (Link to these results)