A0A5K4FBU2_SCHMA Loading...

Tctex1 domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A5K4FBU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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
1M39.7Very low48.6Very low251 Ų251127.2 Ų127.2100%1.23668%0.675SS**  01190-59.8-171-131.900107.3
2S39.6Very low49.1Very low63 Ų63127.1 Ų127.144%0.44167%0.672SS.*  cis-163109.74.3177.50000105.5E4 K5S2-E4 PolarHBondContact O-N 2.88Å; S2-K5 PolarHBondContact O-N 3.42Å
3A50.1Low49.6Very low97 Ų97125.2 Ų125.280%0.80266%0.663SS**G310 helixtrans-64.8-17171.400000111.7K5A3-K5 VanDerWaalsContact C-N 3.3Å; A3-K5 PolarHBondContact O-N 2.98Å
4E53.2Low49.7Very low146 Ų146124.2 Ų124.268%0.68266%0.658SS**G310 helixtrans-76.3-11.5175.9-66.1179.1137.900113.9S2 S7S2-E4 PolarHBondContact O-N 2.88Å; E4-S7 PolarHBondContact O-OG 3.46Å
5K50.6Low49.9Very low157 Ų157123.2 Ų123.268%0.68366%0.659SS**G310 helixtrans-83.1-18.5-179.9-144.3174-174.4-175.70113.3S2 A3S2-K5 PolarHBondContact O-N 3.42Å; A3-K5 VanDerWaalsContact C-N 3.3Å; A3-K5 PolarHBondContact O-N 2.98Å
6L47.6Very low50Low131 Ų131124.1 Ų124.169%0.68666%0.664SS**THydrogen-bonded Turntrans-87.3-24.5-179.8-68.5173.2000113.4R8L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.26Å
7S51.1Low50.2Low73 Ų73126.8 Ų126.851%0.5167%0.668SS.*THydrogen-bonded Turntrans-72.4-24178.658.20000113.7E4 I9 S11E4-S7 PolarHBondContact O-OG 3.46Å; S7-I9 VanDerWaalsContact C-N 3.33Å; S7-I9 PolarHBondContact O-N 3.25Å; S7-S11 PolarHBondContact O-OG 3.25Å
8R45.8Very low50Low190 Ų190126.9 Ų126.972%0.71768%0.675SS**THydrogen-bonded Turntrans-72.2-22.2-179.3-79.6-171.8176.2124.2-1114.3L6L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.26Å
9I54.7Low49.6Very low115 Ų115133.3 Ų133.359%0.5969%0.688SS**THydrogen-bonded Turntrans-79.7-34.9-176.9-65.2163000110.8S7 S11S7-I9 VanDerWaalsContact C-N 3.33Å; S7-I9 PolarHBondContact O-N 3.25Å; I9-S11 PolarHBondContact O-N 3.45Å
10D51.4Low49Very low95 Ų95137.3 Ų137.351%0.50870%0.7SS.*THydrogen-bonded Turntrans-73.6-11.9179.3-81.613.2000113.1R94D10-R94 IonicContact OD2-CZ 3.75Å; D10-R94 IonicContact OD2-NH1 3.46Å; D10-R94 IonicContact OD2-NH2 2.62Å; D10-R94 PolarHBondContact OD2-NH2 3.28Å
11S50.3Low48.6Very low81 Ų81134.3 Ų134.357%0.56670%0.704SS**THydrogen-bonded Turntrans-87.3-6.8-177.9-55.70000115.1S7 I9S7-S11 PolarHBondContact O-OG 3.25Å; I9-S11 PolarHBondContact O-N 3.45Å
12I55Low48.4Very low126 Ų126127.7 Ų127.765%0.64668%0.682SS**SBendtrans-83.2-23.4-175.1-64.5170.1000112D14 T15I12-D14 PolarHBondContact O-N 3.44Å; I12-T15 PolarHBondContact O-OG1 3.28Å
13D55.3Low48.4Very low103 Ų103133.6 Ų133.655%0.55170%0.703SS**THydrogen-bonded Turntrans-82-13.3-173.1-122.87.1000114.1
14D51.8Low47.9Very low111 Ų111135.7 Ų135.759%0.59470%0.7SS**THydrogen-bonded Turntrans-91.2-7.1-176-86.4-38.1000114.6I12 D16 K17I12-D14 PolarHBondContact O-N 3.44Å; D14-D16 PolarHBondContact O-N 2.8Å; D14-K17 IonicContact OD1-NZ 3.86Å; D14-K17 PolarHBondContact OD1-NZ 2.82Å
15T52.3Low47.6Very low109 Ų109135.4 Ų135.467%0.66971%0.709SS**THydrogen-bonded Turntrans-81.4-10.1-176.548.90000115.3I12I12-T15 PolarHBondContact O-OG1 3.28Å
16D51.7Low47.2Very low138 Ų138133 Ų13374%0.73871%0.712SS**THydrogen-bonded Turntrans-91.1-2.2-173.9-150.120000114.5D14 T18D14-D16 PolarHBondContact O-N 2.8Å; D16-T18 PolarHBondContact O-N 3.01Å
17K53Low47.1Very low169 Ų169136.1 Ų136.174%0.73572%0.723SS**THydrogen-bonded Turntrans-835.8-174.3-75.6178.7-173.2149.60116.1D14D14-K17 IonicContact OD1-NZ 3.86Å; D14-K17 PolarHBondContact OD1-NZ 2.82Å
18T47.7Very low46.7Very low129 Ų129139 Ų13979%0.79174%0.737SS**THydrogen-bonded Turntrans-115.66-16950.30000117D16 K20D16-T18 PolarHBondContact O-N 3.01Å; T18-K20 PolarHBondContact O-N 2.89Å
19R40.7Very low46.4Very low248 Ų248136.9 Ų136.994%0.93674%0.74SS**  trans-9085176.3-119.6178.8-179178.3-0.1112.8
20K39.1Very low46Very low213 Ų213137.1 Ų137.193%0.92675%0.752SS**  trans-99.9116156.9-85.5-174.5175-178.90108.5T18T18-K20 PolarHBondContact O-N 2.89Å
21G39.2Very low45.5Very low75 Ų75143.8 Ų143.877%0.77377%0.77SS**  trans-151.8118.5176.100000110.2
22S35.4Very low45.4Very low112 Ų112151.2 Ų151.278%0.78379%0.786SS**  trans-66.8141.6-178.245.50000114.4
23H41.3Very low45.1Very low188 Ų188150.5 Ų150.587%0.8779%0.789SS**  trans-166.1130.7135.7-117.8-76.1000112.8
24D38.6Very low45Very low141 Ų141150.4 Ų150.475%0.75480%0.797SS**  trans-57.9144168.3-78.7-46.7000113.1
25T46.9Very low44.7Very low139 Ų139152.7 Ų152.785%0.85381%0.807SS**  -178.3141.1110.114.40000112.6
26S41.5Very low44.7Very low108 Ų108153.5 Ų153.576%0.75581%0.807SS**  trans-59.7132.7175.550.70000114.3
27Q46.7Very low44.3Very low196 Ų196152.6 Ų152.692%0.91681%0.808SS**  trans-133.2131.7152.6-82.1-169.68.100111.3
28T43.2Very low44.4Very low133 Ų133153.1 Ų153.182%0.81681%0.813SS**  trans-78.7144.8-173.746.50000113.1
29D39Very low44.2Very low145 Ų145152.5 Ų152.578%0.77581%0.814SS**  trans5.5122.2154.1-95.1-40.9000119.7
30S46.7Very low44.6Very low121 Ų121152 Ų15285%0.84681%0.812SS**  -160.799.3123.946.90000110.6R32S30-R32 PolarHBondContact O-N 2.84Å
31R41.3Very low45Very low234 Ų234153 Ų15388%0.88381%0.81SS**  trans-70.8116.1168.4-70.1178.9178.3-178.2-0.1109.4
32R47.2Very low45.3Very low238 Ų238157.6 Ų157.690%0.89881%0.812SS**  trans-113111.4163.6-161-179.4-168.5-1684.1108.7S30 S34S30-R32 PolarHBondContact O-N 2.84Å; R32-S34 PolarHBondContact O-N 3.14Å
33P48.1Very low46.3Very low110 Ų110156.7 Ų156.771%0.71481%0.805SS**  trans-82.6111.8170.630.4-26.6000108.5I35P33-I35 PolarHBondContact O-N 2.67Å
34S53.5Low46.5Very low102 Ų102158.7 Ų158.771%0.71381%0.805SS**  trans-76.9101.116656.20000108.8R32 I36R32-S34 PolarHBondContact O-N 3.14Å; S34-I36 PolarHBondContact O-N 3.21Å; S34-I36 VanDerWaalsContact O-N 3.12Å
35I46.8Very low46.8Very low158 Ų158159.8 Ų159.881%0.8180%0.803SS**  trans-7099.3167.3-62.3169.3000107.2P33P33-I35 PolarHBondContact O-N 2.67Å
36I51.3Low46.8Very low127 Ų127158.2 Ų158.265%0.65180%0.798SS**  trans-117.6113.9160.3-63.2166.5000105.7S34 Q38S34-I36 PolarHBondContact O-N 3.21Å; S34-I36 VanDerWaalsContact O-N 3.12Å; I36-Q38 VanDerWaalsContact C-N 3.27Å; I36-Q38 HydrophobicContact CG2-CG 4.29Å; I36-Q38 PolarHBondContact O-N 3.3Å
37P42.7Very low47.1Very low118 Ų118162.3 Ų162.377%0.76680%0.802SS**  trans-73.49216830.2-27.5000106.7S39P37-S39 VanDerWaalsContact C-N 3.3Å; P37-S39 PolarHBondContact O-N 3.36Å
38Q54.9Low47Very low180 Ų180156.8 Ų156.884%0.84179%0.79SS**  trans-64.5100.3164.6-89.6-172.6-20.700107.8I36 R40I36-Q38 VanDerWaalsContact C-N 3.27Å; I36-Q38 HydrophobicContact CG2-CG 4.29Å; I36-Q38 PolarHBondContact O-N 3.3Å; Q38-R40 VanDerWaalsContact C-N 3.34Å; Q38-R40 PolarHBondContact O-N 3.27Å
39S44.5Very low47.3Very low117 Ų117155.4 Ų155.482%0.81879%0.786SS**  trans-32.692.4156.6168.30000111.1P37 R41P37-S39 VanDerWaalsContact C-N 3.3Å; P37-S39 PolarHBondContact O-N 3.36Å; S39-R41 PolarHBondContact O-N 3.45Å
40R48.4Very low47.4Very low236 Ų236159.7 Ų159.789%0.89179%0.792SS**  trans-82.495.2171.8-163.3175.6-164.5173.25.3107.3Q38 Q42Q38-R40 VanDerWaalsContact C-N 3.34Å; Q38-R40 PolarHBondContact O-N 3.27Å; R40-Q42 PolarHBondContact O-N 2.8Å
41R48.4Very low47.1Very low236 Ų236162.5 Ų162.589%0.89179%0.789SS**  trans-44.8103.6170.7-165178.6-179.8-157.80.8109.6S39 S43S39-R41 PolarHBondContact O-N 3.45Å; R41-S43 PolarHBondContact O-N 3.5Å
42Q45.9Very low47.6Very low171 Ų171156.7 Ų156.780%0.79978%0.784SS**  trans-68.5118.1172.1-67.3-175200108R40 R44R40-Q42 PolarHBondContact O-N 2.8Å; Q42-R44 PolarHBondContact O-N 3.46Å
43S54.5Low47.5Very low92 Ų92152.2 Ų152.264%0.64378%0.777SS**  trans-66.3100.5165.453.50000107.9R41 F45R41-S43 PolarHBondContact O-N 3.5Å; S43-F45 PolarHBondContact O-N 2.83Å
44R46.4Very low46.9Very low230 Ų230156.6 Ų156.687%0.86879%0.785SS**  trans-69.683167.4-62.7179.585.8117.6-1.3107.8Q42 S46Q42-R44 PolarHBondContact O-N 3.46Å; R44-S46 PolarHBondContact O-N 2.89Å; R44-S46 VanDerWaalsContact O-N 3.09Å
45F44.8Very low46.1Very low165 Ų165155.7 Ų155.772%0.72479%0.792SS**  trans-74.790.8155.5-74-74.6000106.6S43 F47S43-F45 PolarHBondContact O-N 2.83Å; F45-F47 VanDerWaalsContact C-N 3.3Å; F45-F47 HydrophobicContact CB-CE2 4.42Å; F45-F47 PolarHBondContact O-N 3.18Å
46S46.8Very low46.2Very low105 Ų105151.6 Ų151.673%0.73479%0.788SS**  trans-66.795.1163.751.70000107.6R44 A48R44-S46 PolarHBondContact O-N 2.89Å; R44-S46 VanDerWaalsContact O-N 3.09Å; S46-A48 PolarHBondContact O-N 2.97Å
47F48.5Very low45.9Very low194 Ų194155.6 Ų155.685%0.85180%0.804SS**  trans-67.683.5148.1-69.4-81.9000105.7F45 S49F45-F47 VanDerWaalsContact C-N 3.3Å; F45-F47 HydrophobicContact CB-CE2 4.42Å; F45-F47 PolarHBondContact O-N 3.18Å; F47-S49 PolarHBondContact O-N 3.21Å
48A43.2Very low46.1Very low80 Ų80153.1 Ų153.166%0.66180%0.8SS**  trans-61.597161.300000105.6S46 R50S46-A48 PolarHBondContact O-N 2.97Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.85Å
49S50Low45.8Very low105 Ų105148.8 Ų148.873%0.73479%0.79SS**  trans-55.7102.9159.2-179.10000105.7F47 K51F47-S49 PolarHBondContact O-N 3.21Å; S49-K51 VanDerWaalsContact C-N 3.3Å; S49-K51 PolarHBondContact O-N 3.3Å
50R42.7Very low46.3Very low235 Ų235149.6 Ų149.689%0.88778%0.784SS**  trans-61101.2169.7-85.9-173.5173.5-147.8-0.2106A48 S52A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.85Å; R50-S52 VanDerWaalsContact C-N 3.28Å; R50-S52 PolarHBondContact O-N 2.86Å
51K40.2Very low46.3Very low180 Ų180144.3 Ų144.378%0.78377%0.772SS**  trans-64.191.5165.6-67-177177.1-175.90107.4S49 L53S49-K51 VanDerWaalsContact C-N 3.3Å; S49-K51 PolarHBondContact O-N 3.3Å; K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 HydrophobicContact CB-CG 4.39Å; K51-L53 PolarHBondContact O-N 3.02Å; K51-L53 VanDerWaalsContact O-N 3.1Å
52S50.6Low46.5Very low112 Ų112136.2 Ų136.278%0.78376%0.762SS**  trans-73.890.1159.152.70000107.4R50 F54R50-S52 VanDerWaalsContact C-N 3.28Å; R50-S52 PolarHBondContact O-N 2.86Å; S52-F54 PolarHBondContact O-N 3.25Å
53L45.5Very low46.9Very low143 Ų143135.5 Ų135.575%0.74976%0.761SS**  trans-84.257.3169-75.3166.1000109.6K51K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 HydrophobicContact CB-CG 4.39Å; K51-L53 PolarHBondContact O-N 3.02Å; K51-L53 VanDerWaalsContact O-N 3.1Å
54F35.7Very low46.7Very low202 Ų202138.4 Ų138.489%0.88677%0.768SS**  trans-152.5113.1171.1-86.1-77000110.8S52S52-F54 PolarHBondContact O-N 3.25Å
55G36.6Very low47Very low83 Ų83138.5 Ų138.586%0.85677%0.768SS**  trans96.3115.2152.800000117.6
56G48.2Very low47.1Very low72 Ų72133.3 Ų133.374%0.74276%0.762SS**  trans94.3103.514400000117.5G58G56-G58 PolarHBondContact O-N 2.92Å
57H45.5Very low47.3Very low212 Ų212131.7 Ų131.798%0.98176%0.761SS**  trans16.470.6146.3-85.4-83.9000117.5
58G46Very low47.8Very low66 Ų66128.3 Ų128.368%0.6876%0.756SS**  trans-103.2103.517300000110.9G56 L60G56-G58 PolarHBondContact O-N 2.92Å; G58-L60 PolarHBondContact O-N 3.17Å
59S49Very low48.8Very low89 Ų89131.7 Ų131.762%0.62276%0.763SS**  trans-49.5127.6-179.2178.50000113.8I61S59-I61 PolarHBondContact O-N 3.43Å; S59-I61 WeakPolarHBondContact OG-CB 3.5Å; S59-I61 PolarHBondContact OG-N 3.48Å
60L54.6Low49.5Very low133 Ų133135 Ų13570%0.69677%0.765SS**G310 helixtrans-63.5-6.3175.8-67.2170.2000113.9G58 G62 M63G58-L60 PolarHBondContact O-N 3.17Å; L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 3.02Å; L60-M63 HydrophobicContact CD2-SD 4.15Å; L60-M63 PolarHBondContact O-N 3.23Å; L60-M63 VanDerWaalsContact O-N 3.14Å
61I50.2Low51.1Low125 Ų125131.3 Ų131.364%0.64176%0.762SS**G310 helixtrans-65-27.3-179.2-90.6163.6000113.2S59 M63 L64S59-I61 PolarHBondContact O-N 3.43Å; S59-I61 WeakPolarHBondContact OG-CB 3.5Å; S59-I61 PolarHBondContact OG-N 3.48Å; I61-M63 PolarHBondContact O-N 2.85Å; I61-L64 PolarHBondContact O-N 3.33Å
62G52.3Low53Low66 Ų66128.4 Ų128.468%0.6875%0.754SS**G310 helixtrans-69.1-18.6175.500000114L60L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 3.02Å
63M53.7Low54.5Low157 Ų157132.6 Ų132.677%0.77376%0.758SS**G310 helixtrans-87.7-12.2-179.1-60.8-173.486.600113.3L60 I61L60-M63 HydrophobicContact CD2-SD 4.15Å; L60-M63 PolarHBondContact O-N 3.23Å; L60-M63 VanDerWaalsContact O-N 3.14Å; I61-M63 PolarHBondContact O-N 2.85Å
64L50.6Low56.1Low152 Ų152134.4 Ų134.480%0.79676%0.757SS**SBendtrans-105.7-4.1-173.9-70.3169.4000114.5I61I61-L64 PolarHBondContact O-N 3.33Å
65R52.1Low58.3Low232 Ų232133.4 Ų133.488%0.87576%0.755SS**SBendtrans-111.3-3.8-176.4-96.1-172.1178.5-151.90.9116.4G67R65-G67 PolarHBondContact O-N 3.49Å
66G47.3Very low60.5Low57 Ų57135.1 Ų135.159%0.58874%0.744SS**  trans-85.790.8169.300000109.4V68G66-V68 PolarHBondContact O-N 3.46Å
67G51.4Low62.2Low70 Ų70136.3 Ų136.372%0.72274%0.737SS**  trans-50.4109.3165.100000107.9R65 N69R65-G67 PolarHBondContact O-N 3.49Å; G67-N69 VanDerWaalsContact C-N 3.33Å; G67-N69 PolarHBondContact O-N 3.02Å
68V58.3Low64Low123 Ų123134.7 Ų134.775%0.74572%0.724SS**  trans-61.3102.5177.7179.70000105G66 K70G66-V68 PolarHBondContact O-N 3.46Å; V68-K70 HydrophobicContact CG1-CG 4.33Å; V68-K70 PolarHBondContact O-N 3.48Å
69N63.5Low65.8Low151 Ų151134.7 Ų134.781%0.80770%0.703SS**  trans-5990161.7-86.5-21.7000105G67 N71G67-N69 VanDerWaalsContact C-N 3.33Å; G67-N69 PolarHBondContact O-N 3.02Å; N69-N71 PolarHBondContact O-N 3.02Å
70K65.2Low67.5Low176 Ų176136.2 Ų136.277%0.76570%0.703SS**  trans-58.6109.1172.7-68.3-177.2-177178.40103.7V68 I72V68-K70 HydrophobicContact CG1-CG 4.33Å; V68-K70 PolarHBondContact O-N 3.48Å; K70-I72 PolarHBondContact O-N 2.88Å
71N75.8Confident69Low157 Ų157134.8 Ų134.884%0.8469%0.693SS**  trans-60.194.8170.8-74.1-33.5000106.1N69 K73N69-N71 PolarHBondContact O-N 3.02Å; N71-K73 PolarHBondContact O-N 2.83Å
72I80.8Confident70.9Confident119 Ų119129.2 Ų129.261%0.6167%0.665SS**  trans-61.4108.5177.3-63.2172.9000105.3K70 Y74K70-I72 PolarHBondContact O-N 2.88Å; I72-Y74 HydrophobicContact CB-CE2 4.09Å; I72-Y74 HydrophobicContact CG2-CD1 4.37Å; I72-Y74 HydrophobicContact CG2-CD2 4.25Å; I72-Y74 HydrophobicContact CG2-CE1 4Å; I72-Y74 HydrophobicContact CG2-CE2 3.87Å; I72-Y74 HydrophobicContact CG2-CG 4.49Å; I72-Y74 WeakPolarHBondContact O-CD2 3.3Å; I72-Y74 PolarHBondContact O-N 3.17Å
73K82.2Confident72.6Confident199 Ų199131.3 Ų131.387%0.86566%0.655SS**  trans-81.498.1176.6-172.7-179.4178.2-173.10107.1N71N71-K73 PolarHBondContact O-N 2.83Å
74Y79.5Confident74.1Confident182 Ų182129.3 Ų129.371%0.71465%0.654SS**PPolyproline II helixtrans-66.7146.3170.1-63.5-83.4000110I72I72-Y74 HydrophobicContact CB-CE2 4.09Å; I72-Y74 HydrophobicContact CG2-CD1 4.37Å; I72-Y74 HydrophobicContact CG2-CD2 4.25Å; I72-Y74 HydrophobicContact CG2-CE1 4Å; I72-Y74 HydrophobicContact CG2-CE2 3.87Å; I72-Y74 HydrophobicContact CG2-CG 4.49Å; I72-Y74 WeakPolarHBondContact O-CD2 3.3Å; I72-Y74 PolarHBondContact O-N 3.17Å
75E82.3Confident75.8Confident181 Ų181128.5 Ų128.585%0.84665%0.65SS**PPolyproline II helixtrans-68.5151.5169.3-64.1-172.1160.300110.2T77E75-T77 PolarHBondContact O-N 3.45Å
76N82.5Confident77.5Confident118 Ų118120.4 Ų120.463%0.63162%0.622SS**PPolyproline II helixtrans-61.3123.5176.3-71.5-4.1000109.2Y78N76-Y78 HydrophobicContact CB-CE2 4.16Å; N76-Y78 WeakPolarHBondContact O-CD2 3.23Å; N76-Y78 PolarHBondContact O-N 2.89Å; N76-Y78 VanDerWaalsContact O-N 3.12Å
77T83.2Confident79.5Confident98 Ų98123.1 Ų123.160%0.60162%0.615SS**  trans-80.791.3167.8-50.30000107.8E75 R79E75-T77 PolarHBondContact O-N 3.45Å; T77-R79 HydrophobicContact CG2-CG 3.8Å; T77-R79 WeakPolarHBondContact O-CG 3.26Å; T77-R79 PolarHBondContact O-N 2.9Å
78Y83.4Confident81.4Confident177 Ų177120.4 Ų120.469%0.69458%0.584SS**  trans-59.3104.3177.1-63.4-85.6000109.7N76 E193N76-Y78 HydrophobicContact CB-CE2 4.16Å; N76-Y78 WeakPolarHBondContact O-CD2 3.23Å; N76-Y78 PolarHBondContact O-N 2.89Å; N76-Y78 VanDerWaalsContact O-N 3.12Å; Y78-E193 VanDerWaalsContact CD1-OE1 3.25Å; Y78-E193 WeakPolarHBondContact CD1-OE1 3.49Å
79R84Confident83Confident67 Ų67121.7 Ų121.725%0.25358%0.579SS.*  trans-138.8125.7169.1-16.9-174.9-60.5-131.45.9109.1T77 E86 R138 Y191T77-R79 HydrophobicContact CG2-CG 3.8Å; T77-R79 WeakPolarHBondContact O-CG 3.26Å; T77-R79 PolarHBondContact O-N 2.9Å; R79-E86 IonicContact CZ-OE1 3.02Å; R79-E86 IonicContact CZ-OE2 3.78Å; R79-E86 IonicContact NH1-OE1 3.94Å; R79-E86 IonicContact NH2-OE1 3.65Å; R79-E86 PolarHBondContact NH2-OE1 3.38Å; R79-E86 IonicContact NH2-OE2 3.92Å; R79-E86 PolarHBondContact NH2-OE2 2.88Å; R79-R138 VanDerWaalsContact NE-NH1 3.18Å; R79-R138 VanDerWaalsContact NH2-NE 3.16Å; R79-R138 PolarHBondContact O-NH1 2.86Å; R79-R138 VanDerWaalsContact O-NH1 3.14Å; R79-Y191 PolarHBondContact O-OH 3.05Å
80I85Confident84.4Confident120 Ų120119.3 Ų119.362%0.61556%0.563SS**SBendtrans-87.9-11.3-175.4-30.6-178.2000111.6M167 Y191I80-M167 HydrophobicContact CB-CE 4.1Å; I80-M167 HydrophobicContact CG2-CE 3.32Å; I80-M167 WeakPolarHBondContact O-CE 3.43Å; I80-Y191 WeakPolarHBondContact O-CE1 3.45Å
81Q86.3Confident85.8Confident104 Ų104118.4 Ų118.449%0.48656%0.559SS.*SBendtrans-130.9148.2-179.9-73177.314.800112.6R138 M167 Y191Q81-R138 PolarHBondContact O-NH2 2.85Å; Q81-M167 HydrophobicContact CG-CE 4.32Å; Q81-M167 HydrophobicContact CG-SD 3.3Å; Q81-M167 WeakPolarHBondContact CG-SD 3.28Å; Q81-Y191 VanDerWaalsContact C-OH 3.23Å; Q81-Y191 PolarHBondContact N-OH 2.85Å; Q81-Y191 PolarHBondContact O-OH 2.94Å; Q81-Y191 VanDerWaalsContact O-OH 3.08Å
82P88.8Confident86.7Confident8 Ų8114.4 Ų114.45%0.05254%0.536CS..  trans-71.4146.4169.830.2-34.2000110E86 R87 Y139 M167 Y191P82-E86 HydrophobicContact CB-CB 4.26Å; P82-R87 HydrophobicContact CB-CG 4.16Å; P82-R87 HydrophobicContact CG-CG 3.77Å; P82-Y139 HydrophobicContact CB-CE2 4.27Å; P82-Y139 WeakPolarHBondContact CB-OH 3.32Å; P82-Y139 WeakPolarHBondContact CG-OH 3.3Å; P82-M167 WeakPolarHBondContact CD-O 2.99Å; P82-M167 VanDerWaalsContact CG-O 3.28Å; P82-M167 WeakPolarHBondContact CG-O 3.45Å; P82-Y191 HydrophobicContact CB-CD2 3.91Å; P82-Y191 HydrophobicContact CB-CE2 3.76Å; P82-Y191 HydrophobicContact CG-CD2 4.1Å; P82-Y191 HydrophobicContact CG-CE2 4.24Å
83K87.7Confident87.4Confident109 Ų109108.8 Ų108.847%0.47451%0.507SS..  trans-65.2154.6168.2-65.6179.5-179.7-179.90109.3N85 E86 R87K83-N85 WeakPolarHBondContact CB-OD1 2.93Å; K83-N85 PolarHBondContact O-N 3.41Å; K83-E86 HydrophobicContact CB-CB 4.48Å; K83-E86 HydrophobicContact CB-CG 4.1Å; K83-E86 PolarHBondContact N-OE2 3.46Å; K83-E86 VanDerWaalsContact N-OE2 3.12Å; K83-E86 PolarHBondContact O-N 2.88Å; K83-R87 PolarHBondContact O-N 3.32Å
84P86.1Confident88.2Confident116 Ų116105 Ų10575%0.75349%0.487SS*.G310 helixtrans-54.5-31.9-179.1-28.435.5000114.4
85N86.7Confident89Confident135 Ų135100.3 Ų100.372%0.72247%0.474SS*.G310 helixtrans-79.8-15.5176.964.6-27.5000114.5K83K83-N85 WeakPolarHBondContact CB-OD1 2.93Å; K83-N85 PolarHBondContact O-N 3.41Å
86E87.6Confident89.7Confident61 Ų6192.9 Ų92.929%0.28544%0.441SS..G310 helixtrans-96.2-3.4178.3-64.5170.8175.100112.3R79 P82 K83 I88 R138 Y139R79-E86 IonicContact CZ-OE1 3.02Å; R79-E86 IonicContact CZ-OE2 3.78Å; R79-E86 IonicContact NH1-OE1 3.94Å; R79-E86 IonicContact NH2-OE1 3.65Å; R79-E86 PolarHBondContact NH2-OE1 3.38Å; R79-E86 IonicContact NH2-OE2 3.92Å; R79-E86 PolarHBondContact NH2-OE2 2.88Å; P82-E86 HydrophobicContact CB-CB 4.26Å; K83-E86 HydrophobicContact CB-CB 4.48Å; K83-E86 HydrophobicContact CB-CG 4.1Å; K83-E86 PolarHBondContact N-OE2 3.46Å; K83-E86 VanDerWaalsContact N-OE2 3.12Å; K83-E86 PolarHBondContact O-N 2.88Å; E86-I88 PolarHBondContact O-N 2.95Å; E86-R138 IonicContact OE2-NH2 3.59Å; E86-Y139 WeakPolarHBondContact O-CE2 3.38Å; E86-Y139 PolarHBondContact O-OH 3.49Å
87R89.1Confident90.4Very high114 Ų11487.3 Ų87.343%0.4341%0.41SS..SBendtrans-69.7129.8177.5-76-175.5170169.6-3.6110.5P82 K83 K89 E166P82-R87 HydrophobicContact CB-CG 4.16Å; P82-R87 HydrophobicContact CG-CG 3.77Å; K83-R87 PolarHBondContact O-N 3.32Å; R87-K89 PolarHBondContact O-N 3.23Å; R87-E166 PolarHBondContact NH2-O 2.91Å
88I91.3Very high91.1Very high14 Ų1485.3 Ų85.37%0.07240%0.395CS..PPolyproline II helixtrans-77.2126.5-177.5-61-178.7000109.3E86 L93 Y139 F141 T170 A189E86-I88 PolarHBondContact O-N 2.95Å; I88-L93 HydrophobicContact CG2-CD1 3.65Å; I88-L93 HydrophobicContact CG2-CD2 3.9Å; I88-L93 HydrophobicContact CG2-CG 3.63Å; I88-Y139 HydrophobicContact CD1-CD1 3.65Å; I88-Y139 HydrophobicContact CD1-CD2 3.88Å; I88-Y139 HydrophobicContact CD1-CE1 3.94Å; I88-Y139 HydrophobicContact CD1-CE2 4.12Å; I88-Y139 HydrophobicContact CD1-CG 3.58Å; I88-Y139 HydrophobicContact CG1-CD1 4.35Å; I88-Y139 HydrophobicContact CG1-CD2 4.32Å; I88-Y139 HydrophobicContact CG1-CE1 4.15Å; I88-Y139 HydrophobicContact CG1-CE2 4.07Å; I88-Y139 HydrophobicContact CG1-CG 4.41Å; I88-F141 HydrophobicContact CD1-CE1 3.47Å; I88-F141 VanDerWaalsContact CD1-CE1 3.47Å; I88-F141 HydrophobicContact CD1-CZ 3.6Å; I88-T170 HydrophobicContact CB-CG2 4.06Å; I88-T170 HydrophobicContact CG2-CG2 4.13Å; I88-A189 HydrophobicContact CD1-CB 3.94Å
89K91.8Very high91.8Very high150 Ų15081.3 Ų81.365%0.65239%0.388SS*.PPolyproline II helixtrans-83.1123.1177.8-62.5178.3-176.7176.10109.4R87 K91 Q92 L93R87-K89 PolarHBondContact O-N 3.23Å; K89-K91 PolarHBondContact O-N 3.12Å; K89-Q92 HydrophobicContact CB-CB 4.21Å; K89-Q92 WeakPolarHBondContact O-CB 3.37Å; K89-Q92 PolarHBondContact O-N 3.2Å; K89-L93 PolarHBondContact O-N 3.15Å
90Q93.6Very high92.4Very high100 Ų10078.7 Ų78.747%0.46738%0.38SS..Hα-helixtrans-50.1-43.8175.5-73178.2-1600112.8Q92 L93 R94 T170 Y171Q90-Q92 VanDerWaalsContact C-N 3.28Å; Q90-Q92 PolarHBondContact O-N 3Å; Q90-L93 PolarHBondContact O-N 3.41Å; Q90-L93 VanDerWaalsContact O-N 3.15Å; Q90-R94 PolarHBondContact O-N 3.5Å; Q90-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q90-T170 PolarHBondContact NE2-OG1 3.37Å; Q90-T170 VanDerWaalsContact NE2-OG1 3.12Å; Q90-Y171 WeakPolarHBondContact CG-O 3.5Å
91K95.1Very high93Very high157 Ų15773 Ų7368%0.68335%0.351SS*.Hα-helixtrans-58.1-38.5177.6-173.7174.4-179175.20112.9K89 R94 N95K89-K91 PolarHBondContact O-N 3.12Å; K91-R94 PolarHBondContact O-N 2.86Å; K91-N95 WeakPolarHBondContact O-CB 3.05Å; K91-N95 PolarHBondContact O-N 3.21Å; K91-N95 PolarHBondContact O-OD1 3.3Å
92Q94.3Very high93.4Very high73 Ų7371 Ų7134%0.34134%0.343SS..Hα-helixtrans-66.5-42.4178.1-176.9-178.8-14.400110.9K89 Q90 L96K89-Q92 HydrophobicContact CB-CB 4.21Å; K89-Q92 WeakPolarHBondContact O-CB 3.37Å; K89-Q92 PolarHBondContact O-N 3.2Å; Q90-Q92 VanDerWaalsContact C-N 3.28Å; Q90-Q92 PolarHBondContact O-N 3Å; Q92-L96 WeakPolarHBondContact O-CB 3.44Å; Q92-L96 PolarHBondContact O-N 2.92Å
93L95.9Very high93.8Very high1 Ų178.3 Ų78.31%0.00538%0.377CS..Hα-helixtrans-65.5-45.8175-63.5-178.8000111.9I88 K89 Q90 N95 L96 I97 V130 T170 A172 I187 A189I88-L93 HydrophobicContact CG2-CD1 3.65Å; I88-L93 HydrophobicContact CG2-CD2 3.9Å; I88-L93 HydrophobicContact CG2-CG 3.63Å; K89-L93 PolarHBondContact O-N 3.15Å; Q90-L93 PolarHBondContact O-N 3.41Å; Q90-L93 VanDerWaalsContact O-N 3.15Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 2.97Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.38Å; L93-I97 PolarHBondContact O-N 3.31Å; L93-V130 HydrophobicContact CD2-CG1 3.98Å; L93-V130 HydrophobicContact CD2-CG2 4.12Å; L93-T170 HydrophobicContact CD1-CG2 4.17Å; L93-A172 HydrophobicContact CB-CB 3.52Å; L93-A172 HydrophobicContact CD1-CB 4.32Å; L93-I187 HydrophobicContact CD1-CG2 4.47Å; L93-A189 HydrophobicContact CD1-CB 4.31Å
94R97.2Very high94.1Very high119 Ų11975.1 Ų75.145%0.44937%0.366SS..Hα-helixtrans-57-48.2177.1-177177.1178.2-176.64.6111.1D10 Q90 K91 L96 I97 Q98 A172 A174D10-R94 IonicContact OD2-CZ 3.75Å; D10-R94 IonicContact OD2-NH1 3.46Å; D10-R94 IonicContact OD2-NH2 2.62Å; D10-R94 PolarHBondContact OD2-NH2 3.28Å; Q90-R94 PolarHBondContact O-N 3.5Å; K91-R94 PolarHBondContact O-N 2.86Å; R94-L96 VanDerWaalsContact C-N 3.34Å; R94-L96 PolarHBondContact O-N 2.99Å; R94-I97 PolarHBondContact O-N 3.45Å; R94-Q98 WeakPolarHBondContact O-CB 3.45Å; R94-Q98 PolarHBondContact O-N 3.04Å; R94-A172 HydrophobicContact CB-CB 4.4Å; R94-A174 HydrophobicContact CG-CB 4.44Å
95N97.2Very high94.6Very high84 Ų8469.6 Ų69.645%0.44933%0.331SS..Hα-helixtrans-61-43.6177.7-72.1-2000111.8K91 L93 I97 Q98 T99K91-N95 WeakPolarHBondContact O-CB 3.05Å; K91-N95 PolarHBondContact O-N 3.21Å; K91-N95 PolarHBondContact O-OD1 3.3Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 2.97Å; N95-I97 PolarHBondContact O-N 3.43Å; N95-Q98 PolarHBondContact O-N 3.5Å; N95-T99 WeakPolarHBondContact O-CB 3.13Å; N95-T99 PolarHBondContact O-N 3.47Å; N95-T99 PolarHBondContact O-OG1 3.45Å
96L96.9Very high94.9Very high26 Ų2669.7 Ų69.714%0.13633%0.325CS..Hα-helixtrans-60.4-45.7177.5-177.268000112.2Q92 L93 R94 T100 N129 V130 L133Q92-L96 WeakPolarHBondContact O-CB 3.44Å; Q92-L96 PolarHBondContact O-N 2.92Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.49Å; R94-L96 VanDerWaalsContact C-N 3.34Å; R94-L96 PolarHBondContact O-N 2.99Å; L96-T100 WeakPolarHBondContact O-CB 3.43Å; L96-T100 PolarHBondContact O-N 3.04Å; L96-T100 PolarHBondContact O-OG1 2.93Å; L96-N129 HydrophobicContact CD1-CB 3.99Å; L96-N129 HydrophobicContact CD2-CB 4.12Å; L96-N129 HydrophobicContact CG-CB 4.43Å; L96-V130 HydrophobicContact CD2-CB 4.14Å; L96-V130 HydrophobicContact CD2-CG2 3.25Å; L96-L133 HydrophobicContact CB-CD1 4.49Å; L96-L133 HydrophobicContact CD1-CD1 3.51Å; L96-L133 HydrophobicContact CD2-CD1 3.77Å; L96-L133 HydrophobicContact CG-CD1 4.1Å
97I98Very high95.2Very high0 Ų073.6 Ų73.60%035%0.347CS..Hα-helixtrans-60.9-50.7177.8-61.7159.6000109.1L93 R94 N95 T99 T100 L101 L126 A172 A174 I187L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.38Å; L93-I97 PolarHBondContact O-N 3.31Å; R94-I97 PolarHBondContact O-N 3.45Å; N95-I97 PolarHBondContact O-N 3.43Å; I97-T99 PolarHBondContact O-N 3Å; I97-T100 PolarHBondContact O-N 3.31Å; I97-L101 HydrophobicContact CG2-CD1 3.76Å; I97-L101 HydrophobicContact CG2-CG 4.2Å; I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.86Å; I97-L126 HydrophobicContact CB-CD2 4.48Å; I97-L126 HydrophobicContact CG1-CD2 4.3Å; I97-A172 HydrophobicContact CD1-CB 4.13Å; I97-A174 HydrophobicContact CB-CB 3.95Å; I97-A174 HydrophobicContact CG2-CB 3.65Å; I97-I187 HydrophobicContact CD1-CB 4.12Å; I97-I187 HydrophobicContact CD1-CD1 3.82Å; I97-I187 HydrophobicContact CD1-CG1 3.67Å; I97-I187 HydrophobicContact CG1-CD1 3.47Å; I97-I187 VanDerWaalsContact CG1-CD1 3.47Å; I97-I187 HydrophobicContact CG1-CG1 3.84Å
98Q97.4Very high95.4Very high57 Ų5769.8 Ų69.827%0.26634%0.337SS..Hα-helixtrans-57.7-53.3-179.2-168.96644.800111.6R94 N95 T100 L101 D102 A174 I175R94-Q98 WeakPolarHBondContact O-CB 3.45Å; R94-Q98 PolarHBondContact O-N 3.04Å; N95-Q98 PolarHBondContact O-N 3.5Å; Q98-T100 VanDerWaalsContact C-N 3.31Å; Q98-T100 PolarHBondContact O-N 3.32Å; Q98-L101 PolarHBondContact O-N 3.24Å; Q98-D102 PolarHBondContact NE2-OD1 3.34Å; Q98-D102 PolarHBondContact NE2-OD2 2.92Å; Q98-D102 WeakPolarHBondContact O-CB 3.17Å; Q98-D102 PolarHBondContact O-N 3.31Å; Q98-A174 HydrophobicContact CB-CB 4.36Å; Q98-I175 PolarHBondContact OE1-O 2.89Å
99T97.3Very high95.5Very high92 Ų9273.6 Ų73.656%0.56436%0.357SS*.Hα-helixtrans-60.9-38.8-179.6-57.30000112.5N95 I97 H103N95-T99 WeakPolarHBondContact O-CB 3.13Å; N95-T99 PolarHBondContact O-N 3.47Å; N95-T99 PolarHBondContact O-OG1 3.45Å; I97-T99 PolarHBondContact O-N 3Å; T99-H103 WeakPolarHBondContact O-CB 3.36Å; T99-H103 PolarHBondContact O-N 3.19Å
100T97Very high95.7Very high13 Ų1370.2 Ų70.28%0.0834%0.341CS..Hα-helixtrans-68.7-43.5178.5-53.30000111.2L96 I97 Q98 T104 L122 L126L96-T100 WeakPolarHBondContact O-CB 3.43Å; L96-T100 PolarHBondContact O-N 3.04Å; L96-T100 PolarHBondContact O-OG1 2.93Å; I97-T100 PolarHBondContact O-N 3.31Å; Q98-T100 VanDerWaalsContact C-N 3.31Å; Q98-T100 PolarHBondContact O-N 3.32Å; T100-T104 WeakPolarHBondContact O-CB 3.24Å; T100-T104 PolarHBondContact O-N 3.47Å; T100-T104 VanDerWaalsContact O-N 3.11Å; T100-T104 PolarHBondContact O-OG1 3.35Å; T100-L122 HydrophobicContact CG2-CD2 4.36Å; T100-L126 HydrophobicContact CG2-CD2 3.85Å; T100-L126 HydrophobicContact CG2-CG 4.2Å
101L97.1Very high95.7Very high0 Ų069.3 Ų69.30%034%0.337CS..Hα-helixtrans-65.2-48.2177.4-67.7177.9000111.1I97 Q98 H103 T104 L105 L122 F176 A183I97-L101 HydrophobicContact CG2-CD1 3.76Å; I97-L101 HydrophobicContact CG2-CG 4.2Å; I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.86Å; Q98-L101 PolarHBondContact O-N 3.24Å; L101-H103 PolarHBondContact O-N 3.11Å; L101-T104 PolarHBondContact O-N 2.94Å; L101-L105 HydrophobicContact CB-CD1 4.43Å; L101-L105 HydrophobicContact CD2-CD1 3.99Å; L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 PolarHBondContact O-N 2.73Å; L101-L122 HydrophobicContact CD2-CD1 3.93Å; L101-L122 HydrophobicContact CD2-CD2 4.28Å; L101-F176 HydrophobicContact CB-CB 3.77Å; L101-F176 HydrophobicContact CB-CG 4.31Å; L101-F176 HydrophobicContact CD1-CB 4.07Å; L101-F176 HydrophobicContact CG-CB 4.5Å; L101-A183 HydrophobicContact CD2-CB 4.11Å
102D96.4Very high95.6Very high61 Ų6166.1 Ų66.133%0.32633%0.332SS..Hα-helixtrans-56.9-50.3178.5-68.3-18.3000110.8Q98 T104 K106 F176Q98-D102 PolarHBondContact NE2-OD1 3.34Å; Q98-D102 PolarHBondContact NE2-OD2 2.92Å; Q98-D102 WeakPolarHBondContact O-CB 3.17Å; Q98-D102 PolarHBondContact O-N 3.31Å; D102-T104 PolarHBondContact O-N 3.02Å; D102-K106 VanDerWaalsContact O-CB 3.24Å; D102-K106 WeakPolarHBondContact O-CB 3.5Å; D102-K106 PolarHBondContact O-N 3.29Å; D102-K106 VanDerWaalsContact O-N 3.17Å; D102-F176 WeakPolarHBondContact OD1-CD2 3.34Å
103H95.8Very high95.5Very high163 Ų16369.4 Ų69.476%0.75535%0.351SS*.Hα-helixtrans-65.2-39.6-177.1-179.1-86.1000112.7T99 L101T99-H103 WeakPolarHBondContact O-CB 3.36Å; T99-H103 PolarHBondContact O-N 3.19Å; L101-H103 PolarHBondContact O-N 3.11Å
104T94.9Very high95.4Very high42 Ų4274.3 Ų74.326%0.25837%0.374SS..Hα-helixtrans-83.4-32.4-176.3-61.20000113.1T100 L101 D102 V108 L122 M125T100-T104 WeakPolarHBondContact O-CB 3.24Å; T100-T104 PolarHBondContact O-N 3.47Å; T100-T104 VanDerWaalsContact O-N 3.11Å; T100-T104 PolarHBondContact O-OG1 3.35Å; L101-T104 PolarHBondContact O-N 2.94Å; D102-T104 PolarHBondContact O-N 3.02Å; T104-V108 WeakPolarHBondContact O-CG2 3.48Å; T104-L122 HydrophobicContact CG2-CD2 3.73Å; T104-L122 HydrophobicContact CG2-CG 4.36Å; T104-M125 HydrophobicContact CG2-CE 4.15Å
105L95.6Very high95.3Very high0 Ų069.2 Ų69.20%036%0.357CS..Hα-helixtrans-105.3-8.5-169.2-63175.4000114.9L101 D107 V108 L118 L122 F176 I181 A183L101-L105 HydrophobicContact CB-CD1 4.43Å; L101-L105 HydrophobicContact CD2-CD1 3.99Å; L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 PolarHBondContact O-N 2.73Å; L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 2.97Å; L105-V108 HydrophobicContact CD2-CB 4.42Å; L105-V108 PolarHBondContact O-N 2.79Å; L105-L118 HydrophobicContact CD2-CD1 4.25Å; L105-L118 HydrophobicContact CD2-CD2 3.43Å; L105-L118 VanDerWaalsContact CD2-CD2 3.43Å; L105-L122 HydrophobicContact CD1-CD1 4.08Å; L105-L122 HydrophobicContact CD2-CD1 4.19Å; L105-L122 HydrophobicContact CG-CD1 4.26Å; L105-F176 HydrophobicContact CB-CD1 3.57Å; L105-F176 HydrophobicContact CB-CE1 3.26Å; L105-F176 HydrophobicContact CB-CG 4.37Å; L105-F176 HydrophobicContact CB-CZ 3.83Å; L105-F176 HydrophobicContact CD1-CD1 3.63Å; L105-F176 HydrophobicContact CD1-CE1 4.2Å; L105-F176 HydrophobicContact CD1-CG 4.27Å; L105-F176 HydrophobicContact CG-CD1 4.27Å; L105-F176 HydrophobicContact CG-CE1 4.38Å; L105-I181 HydrophobicContact CD2-CD1 4.14Å; L105-A183 HydrophobicContact CD1-CB 3.32Å
106K93.6Very high95.1Very high137 Ų13774.6 Ų74.660%0.59637%0.371SS*.THydrogen-bonded Turntrans-49-45.5-177.3-174.7177.8179-1740113.6D102 N178D102-K106 VanDerWaalsContact O-CB 3.24Å; D102-K106 WeakPolarHBondContact O-CB 3.5Å; D102-K106 PolarHBondContact O-N 3.29Å; D102-K106 VanDerWaalsContact O-N 3.17Å; K106-N178 PolarHBondContact O-ND2 3.28Å
107D93Very high95.1Very high143 Ų14376.9 Ų76.977%0.76539%0.386SS*.THydrogen-bonded Turntrans-110.517.2-174.1-56.8-50.3000113.1L105L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 2.97Å
108V94Very high95Very high34 Ų3478.4 Ų78.421%0.20639%0.394CS..PPolyproline II helixtrans-95.6133.3-176.5176.70000111.2T104 L105 L118 I181T104-V108 WeakPolarHBondContact O-CG2 3.48Å; L105-V108 HydrophobicContact CD2-CB 4.42Å; L105-V108 PolarHBondContact O-N 2.79Å; V108-L118 HydrophobicContact CG1-CD1 3.78Å; V108-I181 HydrophobicContact CG1-CD1 4.25Å; V108-I181 WeakPolarHBondContact O-CG2 3.43Å
109N94Very high94.9Very high93 Ų9377.1 Ų77.150%0.49739%0.391SS..PPolyproline II helixtrans-91.8142.2169.5-58.5-25.9000109.7E111 K180N109-E111 PolarHBondContact O-N 3.37Å; N109-K180 HydrophobicContact CB-CD 4.17Å; N109-K180 WeakPolarHBondContact OD1-CD 3.42Å; N109-K180 WeakPolarHBondContact OD1-CE 3.3Å; N109-K180 PolarHBondContact OD1-NZ 2.95Å
110Y94.8Very high94.9Very high80 Ų8077.4 Ų77.431%0.31439%0.387SS..PPolyproline II helixtrans-70121.4175.9179.4-96.5000111.2P112 A115 I147 K180 I181Y110-P112 HydrophobicContact CE1-CG 3.88Å; Y110-A115 HydrophobicContact CD2-CB 4.31Å; Y110-A115 HydrophobicContact CE2-CB 3.75Å; Y110-I147 HydrophobicContact CD2-CG2 4.14Å; Y110-I147 HydrophobicContact CE2-CG2 4.2Å; Y110-K180 WeakPolarHBondContact CB-O 3.4Å; Y110-I181 HydrophobicContact CD2-CD1 4.23Å; Y110-I181 HydrophobicContact CD2-CG1 4.26Å
111E94.5Very high94.9Very high81 Ų8180.7 Ų80.738%0.37940%0.404SS..  trans-127125167.3-171.8-171.9149.200108.8N109 L113 Q114 A115N109-E111 PolarHBondContact O-N 3.37Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.06Å; E111-Q114 HydrophobicContact CB-CB 4.16Å; E111-Q114 HydrophobicContact CB-CG 4.12Å; E111-Q114 HydrophobicContact CG-CG 4.31Å; E111-Q114 PolarHBondContact O-N 2.88Å; E111-Q114 VanDerWaalsContact O-N 3.14Å; E111-Q114 WeakPolarHBondContact OE2-CG 3.29Å; E111-Q114 PolarHBondContact OE2-NE2 2.89Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 2.78Å
112P92.4Very high94.9Very high89 Ų8980.7 Ų80.758%0.57840%0.404SS*.Hα-helixtrans-55.5-39.2-174.8-27.333.3000114.5Y110Y110-P112 HydrophobicContact CE1-CG 3.88Å
113L93.4Very high95Very high143 Ų14378.8 Ų78.875%0.74940%0.397SS*.Hα-helixtrans-70.5-39.9-179.5-64.6177.6000111.8E111E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.06Å
114Q94.1Very high95.1Very high104 Ų10475.3 Ų75.349%0.48638%0.384SS..Hα-helixtrans-76-31.2178.1-59.8-169.817.900112.3E111 R116 V117 L118E111-Q114 HydrophobicContact CB-CB 4.16Å; E111-Q114 HydrophobicContact CB-CG 4.12Å; E111-Q114 HydrophobicContact CG-CG 4.31Å; E111-Q114 PolarHBondContact O-N 2.88Å; E111-Q114 VanDerWaalsContact O-N 3.14Å; E111-Q114 WeakPolarHBondContact OE2-CG 3.29Å; E111-Q114 PolarHBondContact OE2-NE2 2.89Å; Q114-R116 PolarHBondContact O-N 3.4Å; Q114-R116 VanDerWaalsContact O-N 3.17Å; Q114-V117 PolarHBondContact O-N 2.89Å; Q114-L118 WeakPolarHBondContact O-CB 3.23Å; Q114-L118 PolarHBondContact O-N 3.42Å
115A93.7Very high95.2Very high11 Ų1176.6 Ų76.69%0.09139%0.388CS..Hα-helixtrans-55.9-36.5-17700000112.8Y110 E111 L118 S119 I147Y110-A115 HydrophobicContact CD2-CB 4.31Å; Y110-A115 HydrophobicContact CE2-CB 3.75Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 2.78Å; A115-L118 PolarHBondContact O-N 3.42Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.27Å; A115-S119 PolarHBondContact O-OG 3.47Å; A115-I147 HydrophobicContact CB-CG2 4.32Å
116R94.4Very high95.3Very high197 Ų19776.6 Ų76.674%0.74339%0.388SS*.Hα-helixtrans-64.1-44.8175.6178.4-177.7170.6-141.8-1.8112.5Q114 S119 M120Q114-R116 PolarHBondContact O-N 3.4Å; Q114-R116 VanDerWaalsContact O-N 3.17Å; R116-S119 PolarHBondContact O-OG 3.31Å; R116-M120 PolarHBondContact O-N 2.96Å
117V95.9Very high95.4Very high75 Ų7577.3 Ų77.346%0.45539%0.387SS..Hα-helixtrans-69.8-41179177.50000109.6Q114 M120 N121Q114-V117 PolarHBondContact O-N 2.89Å; V117-M120 PolarHBondContact O-N 2.96Å; V117-N121 WeakPolarHBondContact O-CB 3.43Å; V117-N121 VanDerWaalsContact O-CG 3.25Å; V117-N121 PolarHBondContact O-N 3.06Å; V117-N121 PolarHBondContact O-ND2 3.29Å
118L96Very high95.5Very high31 Ų3176.7 Ų76.716%0.16238%0.378CS..Hα-helixtrans-63.8-43.5-179.2-157.5153.6000111.9L105 V108 Q114 A115 M120 N121 L122 I147L105-L118 HydrophobicContact CD2-CD1 4.25Å; L105-L118 HydrophobicContact CD2-CD2 3.43Å; L105-L118 VanDerWaalsContact CD2-CD2 3.43Å; V108-L118 HydrophobicContact CG1-CD1 3.78Å; Q114-L118 WeakPolarHBondContact O-CB 3.23Å; Q114-L118 PolarHBondContact O-N 3.42Å; A115-L118 PolarHBondContact O-N 3.42Å; L118-M120 PolarHBondContact O-N 2.87Å; L118-N121 PolarHBondContact O-N 2.94Å; L118-L122 HydrophobicContact CD2-CD1 3.42Å; L118-L122 VanDerWaalsContact CD2-CD1 3.42Å; L118-L122 HydrophobicContact CD2-CG 3.87Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.37Å; L118-I147 HydrophobicContact CB-CD1 4.13Å; L118-I147 HydrophobicContact CD2-CD1 3.39Å; L118-I147 HydrophobicContact CG-CD1 4.35Å
119S96.2Very high95.5Very high30 Ų3077.3 Ų77.321%0.2138%0.379CS..Hα-helixtrans-63.9-41.7178.564.90000112.4A115 R116 A123A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.27Å; A115-S119 PolarHBondContact O-OG 3.47Å; R116-S119 PolarHBondContact O-OG 3.31Å; S119-A123 WeakPolarHBondContact O-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.44Å
120M96.8Very high95.6Very high99 Ų9972.9 Ų72.949%0.48836%0.356SS..Hα-helixtrans-65.3-42.4175.3179.716843.400112.1R116 V117 L118 A123 N124R116-M120 PolarHBondContact O-N 2.96Å; V117-M120 PolarHBondContact O-N 2.96Å; L118-M120 PolarHBondContact O-N 2.87Å; M120-A123 PolarHBondContact O-N 3.2Å; M120-N124 WeakPolarHBondContact O-CB 3.16Å; M120-N124 PolarHBondContact O-N 2.8Å; M120-N124 PolarHBondContact O-ND2 3.36Å
121N96.9Very high95.5Very high82 Ų8277.5 Ų77.544%0.43937%0.373SS..Hα-helixtrans-64.2-46.4176.8-73-13.4000111.5V117 L118 A123 N124 M125V117-N121 WeakPolarHBondContact O-CB 3.43Å; V117-N121 VanDerWaalsContact O-CG 3.25Å; V117-N121 PolarHBondContact O-N 3.06Å; V117-N121 PolarHBondContact O-ND2 3.29Å; L118-N121 PolarHBondContact O-N 2.94Å; N121-A123 PolarHBondContact O-N 3.11Å; N121-N124 PolarHBondContact O-N 3.27Å; N121-M125 WeakPolarHBondContact O-CG 3.36Å; N121-M125 PolarHBondContact O-N 2.89Å
122L97.4Very high95.4Very high0 Ų079 Ų790%038%0.38CS..Hα-helixtrans-57.9-46.1174.3-82.1176.8000111.9T100 L101 T104 L105 L118 N124 M125 L126 V145 I147T100-L122 HydrophobicContact CG2-CD2 4.36Å; L101-L122 HydrophobicContact CD2-CD1 3.93Å; L101-L122 HydrophobicContact CD2-CD2 4.28Å; T104-L122 HydrophobicContact CG2-CD2 3.73Å; T104-L122 HydrophobicContact CG2-CG 4.36Å; L105-L122 HydrophobicContact CD1-CD1 4.08Å; L105-L122 HydrophobicContact CD2-CD1 4.19Å; L105-L122 HydrophobicContact CG-CD1 4.26Å; L118-L122 HydrophobicContact CD2-CD1 3.42Å; L118-L122 VanDerWaalsContact CD2-CD1 3.42Å; L118-L122 HydrophobicContact CD2-CG 3.87Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.37Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.48Å; L122-M125 HydrophobicContact CD2-CE 3.67Å; L122-M125 HydrophobicContact CG-CE 4.32Å; L122-M125 PolarHBondContact O-N 2.8Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 3.35Å; L122-V145 HydrophobicContact CB-CG1 4.02Å; L122-V145 HydrophobicContact CB-CG2 4.27Å; L122-V145 HydrophobicContact CD1-CG1 4.03Å; L122-I147 HydrophobicContact CD1-CD1 4.04Å
123A97.8Very high95.3Very high21 Ų2179.3 Ų79.317%0.17438%0.376CS..Hα-helixtrans-61.1-41.9178.500000111.9S119 M120 N121 R127 V143 V145S119-A123 WeakPolarHBondContact O-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.44Å; M120-A123 PolarHBondContact O-N 3.2Å; N121-A123 PolarHBondContact O-N 3.11Å; A123-R127 VanDerWaalsContact O-CB 3.3Å; A123-R127 WeakPolarHBondContact O-CB 3.48Å; A123-R127 PolarHBondContact O-N 3.36Å; A123-V143 HydrophobicContact CB-CG1 4.22Å; A123-V145 HydrophobicContact CB-CB 4.41Å; A123-V145 HydrophobicContact CB-CG2 3.89Å
124N97.4Very high94.9Very high89 Ų8973.8 Ų73.848%0.47635%0.347SS..Hα-helixtrans-67.2-41.6176.4-74.8-31.2000112.5M120 N121 L122 R127 K128M120-N124 WeakPolarHBondContact O-CB 3.16Å; M120-N124 PolarHBondContact O-N 2.8Å; M120-N124 PolarHBondContact O-ND2 3.36Å; N121-N124 PolarHBondContact O-N 3.27Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.48Å; N124-R127 PolarHBondContact O-N 2.86Å; N124-K128 WeakPolarHBondContact O-CB 3.42Å; N124-K128 PolarHBondContact O-N 3.41Å
125M97Very high94.3Very high70 Ų7073.3 Ų73.335%0.34535%0.352SS..Hα-helixtrans-62.8-48.5176-73-169.9-55.200111.3T104 N121 L122 R127 K128 N129T104-M125 HydrophobicContact CG2-CE 4.15Å; N121-M125 WeakPolarHBondContact O-CG 3.36Å; N121-M125 PolarHBondContact O-N 2.89Å; L122-M125 HydrophobicContact CD2-CE 3.67Å; L122-M125 HydrophobicContact CG-CE 4.32Å; L122-M125 PolarHBondContact O-N 2.8Å; M125-R127 VanDerWaalsContact C-N 3.34Å; M125-R127 PolarHBondContact O-N 2.94Å; M125-K128 PolarHBondContact O-N 2.97Å; M125-N129 WeakPolarHBondContact O-CB 3.41Å; M125-N129 PolarHBondContact O-N 3.2Å; M125-N129 PolarHBondContact O-OD1 3.42Å
126L97.5Very high93.4Very high0 Ų078.6 Ų78.60%039%0.385CS..Hα-helixtrans-58.2-46.2175.4-75.2173.8000111.4I97 T100 L122 K128 N129 V130 V143 V145 I187I97-L126 HydrophobicContact CB-CD2 4.48Å; I97-L126 HydrophobicContact CG1-CD2 4.3Å; T100-L126 HydrophobicContact CG2-CD2 3.85Å; T100-L126 HydrophobicContact CG2-CG 4.2Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 3.35Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.29Å; L126-N129 PolarHBondContact O-N 2.8Å; L126-V130 WeakPolarHBondContact O-CB 3.22Å; L126-V130 VanDerWaalsContact O-CG2 3.24Å; L126-V130 WeakPolarHBondContact O-CG2 3.18Å; L126-V130 PolarHBondContact O-N 3.21Å; L126-V143 HydrophobicContact CB-CG1 3.83Å; L126-V143 HydrophobicContact CD1-CG1 4.01Å; L126-V145 HydrophobicContact CD1-CG2 3.81Å; L126-I187 HydrophobicContact CB-CD1 4.23Å; L126-I187 HydrophobicContact CD2-CD1 4.38Å
127R96Very high92.5Very high152 Ų15271.2 Ų71.257%0.57436%0.363SS*.Hα-helixtrans-59.4-42.2177.3-175.2-179.7-178.9179.51.7112.2A123 N124 M125 R131 V143A123-R127 VanDerWaalsContact O-CB 3.3Å; A123-R127 WeakPolarHBondContact O-CB 3.48Å; A123-R127 PolarHBondContact O-N 3.36Å; N124-R127 PolarHBondContact O-N 2.86Å; M125-R127 VanDerWaalsContact C-N 3.34Å; M125-R127 PolarHBondContact O-N 2.94Å; R127-R131 WeakPolarHBondContact O-CB 2.92Å; R127-R131 PolarHBondContact O-N 2.89Å; R127-V143 HydrophobicContact CB-CG2 4.01Å
128K95.7Very high92.2Very high130 Ų13070 Ų7057%0.56535%0.35SS*.Hα-helixtrans-64.8-52.1176.7-179.9-180171.6-1740110.9N124 M125 L126 V130 R131 E132N124-K128 WeakPolarHBondContact O-CB 3.42Å; N124-K128 PolarHBondContact O-N 3.41Å; M125-K128 PolarHBondContact O-N 2.97Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.29Å; K128-V130 PolarHBondContact O-N 3.12Å; K128-R131 WeakPolarHBondContact O-CB 3.41Å; K128-R131 PolarHBondContact O-N 2.83Å; K128-R131 VanDerWaalsContact O-N 3.11Å; K128-E132 WeakPolarHBondContact CE-OE1 3.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.46Å; K128-E132 IonicContact NZ-OE1 2.72Å; K128-E132 WeakPolarHBondContact O-CG 3.37Å; K128-E132 PolarHBondContact O-N 3.39Å
129N95Very high92Very high46 Ų4669.3 Ų69.325%0.24635%0.346CS..Hα-helixtrans-62.8-41.9-176.9-63.1-7.8000112L96 M125 L126 R131 E132 L133L96-N129 HydrophobicContact CD1-CB 3.99Å; L96-N129 HydrophobicContact CD2-CB 4.12Å; L96-N129 HydrophobicContact CG-CB 4.43Å; M125-N129 WeakPolarHBondContact O-CB 3.41Å; M125-N129 PolarHBondContact O-N 3.2Å; M125-N129 PolarHBondContact O-OD1 3.42Å; L126-N129 PolarHBondContact O-N 2.8Å; N129-R131 VanDerWaalsContact C-N 3.3Å; N129-R131 PolarHBondContact O-N 3.18Å; N129-E132 PolarHBondContact O-N 2.77Å; N129-L133 WeakPolarHBondContact O-CB 3.19Å; N129-L133 VanDerWaalsContact O-CG 3.3Å; N129-L133 WeakPolarHBondContact O-CG 3.35Å; N129-L133 PolarHBondContact O-N 3.37Å
130V95Very high91.8Very high0 Ų073 Ų730%036%0.358CS..Hα-helixtrans-62.5-40.8175.6173.60000110.9L93 L96 L126 K128 N134 F141 I187L93-V130 HydrophobicContact CD2-CG1 3.98Å; L93-V130 HydrophobicContact CD2-CG2 4.12Å; L96-V130 HydrophobicContact CD2-CB 4.14Å; L96-V130 HydrophobicContact CD2-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CB 3.22Å; L126-V130 VanDerWaalsContact O-CG2 3.24Å; L126-V130 WeakPolarHBondContact O-CG2 3.18Å; L126-V130 PolarHBondContact O-N 3.21Å; K128-V130 PolarHBondContact O-N 3.12Å; V130-N134 PolarHBondContact O-N 2.92Å; V130-N134 PolarHBondContact O-ND2 2.98Å; V130-F141 HydrophobicContact CG1-CB 4.44Å; V130-F141 HydrophobicContact CG1-CD1 3.31Å; V130-F141 HydrophobicContact CG1-CD2 3.83Å; V130-F141 HydrophobicContact CG1-CE1 3.27Å; V130-F141 HydrophobicContact CG1-CE2 3.82Å; V130-F141 HydrophobicContact CG1-CG 3.58Å; V130-F141 HydrophobicContact CG1-CZ 3.53Å; V130-I187 HydrophobicContact CG2-CD1 3.57Å; V130-I187 HydrophobicContact CG2-CG2 4.41Å
131R93.1Very high91.7Very high177 Ų17769.6 Ų69.667%0.66834%0.341SS*.Hα-helixtrans-64.6-45.7178.3-167.3178.1-165.9-173.12.2110.7R127 K128 N129 N134 T135R127-R131 WeakPolarHBondContact O-CB 2.92Å; R127-R131 PolarHBondContact O-N 2.89Å; K128-R131 WeakPolarHBondContact O-CB 3.41Å; K128-R131 PolarHBondContact O-N 2.83Å; K128-R131 VanDerWaalsContact O-N 3.11Å; N129-R131 VanDerWaalsContact C-N 3.3Å; N129-R131 PolarHBondContact O-N 3.18Å; R131-N134 PolarHBondContact O-N 2.93Å; R131-T135 WeakPolarHBondContact O-CB 3.26Å; R131-T135 PolarHBondContact O-N 3.09Å; R131-T135 PolarHBondContact O-OG1 2.87Å
132E92.4Very high91.6Very high114 Ų11469.4 Ų69.453%0.53334%0.343SS..Hα-helixtrans-61.7-46.7179.4-72.9173.5-179.500111.9K128 N129 N134 T135K128-E132 WeakPolarHBondContact CE-OE1 3.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.46Å; K128-E132 IonicContact NZ-OE1 2.72Å; K128-E132 WeakPolarHBondContact O-CG 3.37Å; K128-E132 PolarHBondContact O-N 3.39Å; N129-E132 PolarHBondContact O-N 2.77Å; E132-N134 PolarHBondContact O-N 3.31Å; E132-T135 PolarHBondContact O-N 3.07Å
133L90.3Very high91.6Very high95 Ų9570.7 Ų70.750%0.49735%0.35SS..Hα-helixtrans-64.8-24.5-179.4-73.6173.3000114.5L96 N129L96-L133 HydrophobicContact CB-CD1 4.49Å; L96-L133 HydrophobicContact CD1-CD1 3.51Å; L96-L133 HydrophobicContact CD2-CD1 3.77Å; L96-L133 HydrophobicContact CG-CD1 4.1Å; N129-L133 WeakPolarHBondContact O-CB 3.19Å; N129-L133 VanDerWaalsContact O-CG 3.3Å; N129-L133 WeakPolarHBondContact O-CG 3.35Å; N129-L133 PolarHBondContact O-N 3.37Å
134N85.2Confident91.5Very high27 Ų2773.5 Ų73.514%0.14436%0.36CS..Hα-helixtrans-108.82.4-178.2-61.6-69.1000112.3V130 R131 E132 P136 S137 F141V130-N134 PolarHBondContact O-N 2.92Å; V130-N134 PolarHBondContact O-ND2 2.98Å; R131-N134 PolarHBondContact O-N 2.93Å; E132-N134 PolarHBondContact O-N 3.31Å; N134-P136 CarbonylContact O-C 3.6Å; N134-S137 WeakPolarHBondContact O-CA 3.41Å; N134-S137 WeakPolarHBondContact O-CB 3.35Å; N134-S137 PolarHBondContact O-N 3.36Å; N134-F141 HydrophobicContact CB-CZ 4.21Å
135T80.4Confident91.5Very high94 Ų9470.3 Ų70.358%0.57734%0.343SS*.  trans-73132.8-177.2-68.70000111.6R131 E132R131-T135 WeakPolarHBondContact O-CB 3.26Å; R131-T135 PolarHBondContact O-N 3.09Å; R131-T135 PolarHBondContact O-OG1 2.87Å; E132-T135 PolarHBondContact O-N 3.07Å
136P74.7Confident91.4Very high122 Ų12270.4 Ų70.479%0.79234%0.343SS*.SBendcis-82.1121.6-4.731.6-31.6000111.9N134N134-P136 CarbonylContact O-C 3.6Å
137S77Confident91.3Very high41 Ų4171.9 Ų71.929%0.28735%0.35SS..  trans-126.8135.8178.9158.30000110.6N134 Y139N134-S137 WeakPolarHBondContact O-CA 3.41Å; N134-S137 WeakPolarHBondContact O-CB 3.35Å; N134-S137 PolarHBondContact O-N 3.36Å; S137-Y139 PolarHBondContact O-N 3.06Å; S137-Y139 WeakPolarHBondContact OG-CB 3.38Å; S137-Y139 WeakPolarHBondContact OG-CD2 3.43Å; S137-Y139 PolarHBondContact OG-N 3.48Å
138R88.7Confident91.2Very high49 Ų4965 Ų6519%0.18533%0.327CS..  trans-88.544.2175.5-69.6-172.6-62.6143.817.9110.6R79 Q81 E86 Y191 F192R79-R138 VanDerWaalsContact NE-NH1 3.18Å; R79-R138 VanDerWaalsContact NH2-NE 3.16Å; R79-R138 PolarHBondContact O-NH1 2.86Å; R79-R138 VanDerWaalsContact O-NH1 3.14Å; Q81-R138 PolarHBondContact O-NH2 2.85Å; E86-R138 IonicContact OE2-NH2 3.59Å; R138-Y191 HydrophobicContact CB-CD2 4.46Å; R138-Y191 HydrophobicContact CB-CE2 3.95Å; R138-Y191 PolarHBondContact NH1-OH 3.33Å; R138-Y191 PolarHBondContact NH2-OH 3.41Å; R138-Y191 WeakPolarHBondContact O-CD2 3.33Å; R138-F192 WeakPolarHBondContact CB-O 3.37Å; R138-F192 PolarHBondContact O-N 3.41Å
139Y91.6Very high91.1Very high18 Ų1859.6 Ų59.67%0.07131%0.306CS..EExtended strand (participates in β ladder)trans-121.8144179.2-70.9-108000110.1P82 E86 I88 S137 G168 A189 V190 Y191P82-Y139 HydrophobicContact CB-CE2 4.27Å; P82-Y139 WeakPolarHBondContact CB-OH 3.32Å; P82-Y139 WeakPolarHBondContact CG-OH 3.3Å; E86-Y139 WeakPolarHBondContact O-CE2 3.38Å; E86-Y139 PolarHBondContact O-OH 3.49Å; I88-Y139 HydrophobicContact CD1-CD1 3.65Å; I88-Y139 HydrophobicContact CD1-CD2 3.88Å; I88-Y139 HydrophobicContact CD1-CE1 3.94Å; I88-Y139 HydrophobicContact CD1-CE2 4.12Å; I88-Y139 HydrophobicContact CD1-CG 3.58Å; I88-Y139 HydrophobicContact CG1-CD1 4.35Å; I88-Y139 HydrophobicContact CG1-CD2 4.32Å; I88-Y139 HydrophobicContact CG1-CE1 4.15Å; I88-Y139 HydrophobicContact CG1-CE2 4.07Å; I88-Y139 HydrophobicContact CG1-CG 4.41Å; S137-Y139 PolarHBondContact O-N 3.06Å; S137-Y139 WeakPolarHBondContact OG-CB 3.38Å; S137-Y139 WeakPolarHBondContact OG-CD2 3.43Å; S137-Y139 PolarHBondContact OG-N 3.48Å; Y139-G168 WeakPolarHBondContact CE1-O 3.46Å; Y139-A189 HydrophobicContact CD1-CB 4.15Å; Y139-V190 CarbonylContact C-O 3.47Å; Y139-V190 WeakPolarHBondContact CA-O 3.05Å; Y139-Y191 HydrophobicContact CD2-CD2 4.08Å; Y139-Y191 HydrophobicContact CE1-CD2 4.28Å; Y139-Y191 AromaticContact CE2-CD2 3.78Å; Y139-Y191 HydrophobicContact CE2-CD2 3.78Å; Y139-Y191 AromaticContact CZ-CD2 3.89Å
140K92.2Very high90.9Very high107 Ų10759.4 Ų59.447%0.46531%0.307SS..EExtended strand (participates in β ladder)trans-96.5136.1164.7-72.2176174.8168.90108.4V190 F192K140-V190 PolarHBondContact N-O 3.41Å; K140-V190 PolarHBondContact O-N 3.14Å; K140-F192 HydrophobicContact CD-CB 3.96Å; K140-F192 HydrophobicContact CD-CD1 4.37Å; K140-F192 HydrophobicContact CD-CD2 3.98Å; K140-F192 HydrophobicContact CD-CG 3.82Å; K140-F192 VanDerWaalsContact CE-CD2 3.45Å; K140-F192 HydrophobicContact CG-CB 3.9Å; K140-F192 HydrophobicContact CG-CG 4.15Å
141F94.6Very high90.5Very high28 Ų2865.1 Ų65.112%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-111.8125.9179.9-58.9-71.8000110.2I88 V130 N134 I187 H188 A189I88-F141 HydrophobicContact CD1-CE1 3.47Å; I88-F141 VanDerWaalsContact CD1-CE1 3.47Å; I88-F141 HydrophobicContact CD1-CZ 3.6Å; V130-F141 HydrophobicContact CG1-CB 4.44Å; V130-F141 HydrophobicContact CG1-CD1 3.31Å; V130-F141 HydrophobicContact CG1-CD2 3.83Å; V130-F141 HydrophobicContact CG1-CE1 3.27Å; V130-F141 HydrophobicContact CG1-CE2 3.82Å; V130-F141 HydrophobicContact CG1-CG 3.58Å; V130-F141 HydrophobicContact CG1-CZ 3.53Å; N134-F141 HydrophobicContact CB-CZ 4.21Å; F141-I187 HydrophobicContact CD1-CG2 4.49Å; F141-H188 WeakPolarHBondContact CA-O 3.41Å; F141-A189 HydrophobicContact CD1-CB 3.77Å; F141-A189 HydrophobicContact CE1-CB 3.61Å
142V95.2Very high89.9Confident78 Ų7865.7 Ų65.747%0.47334%0.343SS..EExtended strand (participates in β ladder)trans-106.7125.5168.5-177.10000107.1I187 H188V142-I187 CarbonylContact O-C 3.54Å; V142-I187 WeakPolarHBondContact O-CA 3.19Å; V142-H188 HydrophobicContact CB-CB 4.23Å; V142-H188 PolarHBondContact N-O 3.32Å; V142-H188 PolarHBondContact O-N 3.08Å
143V97.1Very high89.4Confident26 Ų2665.2 Ų65.216%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-120.9128.9-177.2-179.50000108.7A123 L126 R127 V145 I186 I187A123-V143 HydrophobicContact CB-CG1 4.22Å; L126-V143 HydrophobicContact CB-CG1 3.83Å; L126-V143 HydrophobicContact CD1-CG1 4.01Å; R127-V143 HydrophobicContact CB-CG2 4.01Å; V143-V145 HydrophobicContact CG1-CG2 4.22Å; V143-I186 WeakPolarHBondContact CA-O 2.83Å; V143-I187 HydrophobicContact CG1-CG1 4.28Å; V143-I187 HydrophobicContact CG2-CD1 4.33Å; V143-I187 HydrophobicContact CG2-CG1 4.14Å; V143-I187 HydrophobicContact CG2-CG2 4.42Å
144Q96.6Very high89.1Confident81 Ų8165.6 Ų65.638%0.37936%0.355SS..EExtended strand (participates in β ladder)trans-121.9136.2174-63176-51.600108.7G185 I186Q144-G185 WeakPolarHBondContact O-CA 3.42Å; Q144-I186 HydrophobicContact CB-CB 4.35Å; Q144-I186 PolarHBondContact N-O 3.44Å; Q144-I186 PolarHBondContact O-N 3.27Å
145V97Very high89.3Confident21 Ų2168.3 Ų68.313%0.12737%0.369CS..EExtended strand (participates in β ladder)trans-133.6124.3177.5179.80000108.6L122 A123 L126 V143 I147 V184L122-V145 HydrophobicContact CB-CG1 4.02Å; L122-V145 HydrophobicContact CB-CG2 4.27Å; L122-V145 HydrophobicContact CD1-CG1 4.03Å; A123-V145 HydrophobicContact CB-CB 4.41Å; A123-V145 HydrophobicContact CB-CG2 3.89Å; L126-V145 HydrophobicContact CD1-CG2 3.81Å; V143-V145 HydrophobicContact CG1-CG2 4.22Å; V145-I147 HydrophobicContact CG1-CG1 4.18Å; V145-V184 CarbonylContact C-O 3.59Å; V145-V184 WeakPolarHBondContact CA-O 3.46Å
146H95.4Very high89.8Confident72 Ų7273.3 Ų73.333%0.33338%0.383SS..EExtended strand (participates in β ladder)trans-110.5137.8174.7-58.3-88.5000108.9I157 A183 V184H146-I157 HydrophobicContact CB-CD1 3.82Å; H146-A183 CarbonylContact O-C 3.49Å; H146-A183 WeakPolarHBondContact O-CA 3.35Å; H146-V184 HydrophobicContact CB-CB 4.34Å; H146-V184 PolarHBondContact N-O 2.93Å; H146-V184 PolarHBondContact O-N 2.83Å
147I95Very high90.7Very high31 Ų3170.7 Ų70.716%0.15936%0.361CS..EExtended strand (participates in β ladder)trans-133.5138.6178-60177.8000108.2Y110 A115 L118 L122 V145 I181 F182 A183Y110-I147 HydrophobicContact CD2-CG2 4.14Å; Y110-I147 HydrophobicContact CE2-CG2 4.2Å; A115-I147 HydrophobicContact CB-CG2 4.32Å; L118-I147 HydrophobicContact CB-CD1 4.13Å; L118-I147 HydrophobicContact CD2-CD1 3.39Å; L118-I147 HydrophobicContact CG-CD1 4.35Å; L122-I147 HydrophobicContact CD1-CD1 4.04Å; V145-I147 HydrophobicContact CG1-CG1 4.18Å; I147-I181 HydrophobicContact CG2-CD1 3.52Å; I147-I181 HydrophobicContact CG2-CG1 3.78Å; I147-F182 WeakPolarHBondContact CA-O 3.02Å; I147-A183 HydrophobicContact CG1-CB 4.21Å
148G94Very high91.4Very high8 Ų872.4 Ų72.48%0.08239%0.385CS..EExtended strand (participates in β ladder)trans-154.9175.8172.800000113.3I181 F182G148-I181 WeakPolarHBondContact O-CA 3.44Å; G148-F182 VanDerWaalsContact CA-CE1 3.48Å; G148-F182 VanDerWaalsContact CA-CZ 3.46Å; G148-F182 PolarHBondContact N-O 2.7Å; G148-F182 WeakPolarHBondContact O-CD1 2.77Å; G148-F182 PolarHBondContact O-N 2.91Å
149S93.7Very high91.4Very high17 Ų1773 Ų7312%0.11940%0.398CS..  trans-86.5133.4172-179.20000110.2E151 N153 F182S149-E151 PolarHBondContact O-N 3.32Å; S149-E151 PolarHBondContact OG-N 3Å; S149-N153 WeakPolarHBondContact O-CB 3.36Å; S149-F182 VanDerWaalsContact O-CE1 3.3Å; S149-F182 WeakPolarHBondContact O-CE1 3.43Å
150P89.6Confident91.3Very high42 Ų4281.5 Ų81.527%0.27344%0.438SS..SBendtrans-73.1-16.3173.832.3-35.1000112.3H152 S179 K180 I181 F182P150-H152 PolarHBondContact O-N 2.59Å; P150-S179 VanDerWaalsContact CG-O 3.26Å; P150-S179 WeakPolarHBondContact CG-O 3.35Å; P150-K180 VanDerWaalsContact CD-O 3.23Å; P150-K180 WeakPolarHBondContact CD-O 3.42Å; P150-I181 VanDerWaalsContact CD-N 3.34Å; P150-F182 HydrophobicContact CB-CD1 4.5Å
151E86.8Confident91.1Very high119 Ų11979.1 Ų79.156%0.55644%0.435SS*.SBendtrans-75.3121.1178.2-64-177.8175.500110S149 N153S149-E151 PolarHBondContact O-N 3.32Å; S149-E151 PolarHBondContact OG-N 3Å; E151-N153 PolarHBondContact O-N 3.29Å; E151-N153 PolarHBondContact O-ND2 3.02Å
152H80.7Confident90.9Very high190 Ų19086.6 Ų86.688%0.8847%0.474SS*.SBendtrans58.89.5175-52.2-66.3000117P150P150-H152 PolarHBondContact O-N 2.59Å
153N81.2Confident90.5Very high104 Ų10486.8 Ų86.856%0.55647%0.466SS*.  trans-124.9133.8180-62.4-70.7000110.8S149 E151S149-N153 WeakPolarHBondContact O-CB 3.36Å; E151-N153 PolarHBondContact O-N 3.29Å; E151-N153 PolarHBondContact O-ND2 3.02Å
154S85.6Confident90Very high103 Ų10388.9 Ų88.972%0.7248%0.476SS*.  trans-122.8133.8168.162.60000108.7
155I89.5Confident89.5Confident84 Ų8491 Ų9143%0.43149%0.489SS..  trans-122.7148174.968.3161.3000110.4I157 F182I155-I157 HydrophobicContact CD1-CD1 3.64Å; I155-I157 HydrophobicContact CD1-CG1 3.95Å; I155-F182 HydrophobicContact CD1-CD2 4.39Å; I155-F182 HydrophobicContact CD1-CE2 3.27Å; I155-F182 HydrophobicContact CD1-CZ 3.57Å; I155-F182 HydrophobicContact CG1-CE2 3.7Å; I155-F182 HydrophobicContact CG1-CZ 3.67Å; I155-F182 HydrophobicContact CG2-CZ 4.11Å
156F90.8Very high88.9Confident199 Ų19996.7 Ų96.787%0.87352%0.515SS*.  trans-118.8126.1169.1-67.4-85000107.9
157I91.8Very high88.4Confident66 Ų6695.2 Ų95.234%0.33851%0.508SS..  trans-113.7118.5177.1-61.2166.2000107.4H146 I155 V184 I186H146-I157 HydrophobicContact CB-CD1 3.82Å; I155-I157 HydrophobicContact CD1-CD1 3.64Å; I155-I157 HydrophobicContact CD1-CG1 3.95Å; I157-V184 HydrophobicContact CD1-CB 3.73Å; I157-V184 HydrophobicContact CD1-CG1 3.91Å; I157-V184 HydrophobicContact CD1-CG2 3.83Å; I157-I186 HydrophobicContact CG2-CD1 3.79Å
158G91.7Very high88.1Confident77 Ų7794.1 Ų94.179%0.79450%0.504SS*.  trans-113.9139.716900000109.6
159S88.5Confident88Confident63 Ų6394.9 Ų94.944%0.44151%0.507SS..  trans-128.2125.3171.2-175.10000108.3
160Q90.8Very high88Confident195 Ų19594.6 Ų94.691%0.91150%0.504SS*.  trans-111.5135.3173.5-67.5-178.4-1.900108
161S87.7Confident88.2Confident58 Ų5895.8 Ų95.841%0.40650%0.504SS..  trans-148.1146.9-176.2-68.30000110.1
162I89.5Confident88.6Confident184 Ų18490.5 Ų90.594%0.94448%0.48SS*.  trans-110.1115.9171.7-57.1172.6000105.6
163W88.2Confident89.4Confident82 Ų8284.1 Ų84.131%0.31146%0.457SS..  trans-141.4162.3-179.652.847.6000111D169 Y171 H188W163-D169 HydrophobicContact CB-CB 3.62Å; W163-D169 HydrophobicContact CG-CB 4.14Å; W163-Y171 AromaticContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD2 4.21Å; W163-Y171 AromaticContact CH2-CE1 3.67Å; W163-Y171 HydrophobicContact CH2-CE1 3.67Å; W163-Y171 AromaticContact CH2-CG 3.39Å; W163-Y171 HydrophobicContact CH2-CG 3.39Å; W163-Y171 AromaticContact CZ2-CD1 3.18Å; W163-Y171 HydrophobicContact CZ2-CD1 3.18Å; W163-Y171 AromaticContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CG 4.01Å; W163-Y171 HydrophobicContact CZ3-CD1 4.02Å; W163-Y171 HydrophobicContact CZ3-CG 4.04Å; W163-H188 AromaticContact CZ3-CE1 3.85Å; W163-H188 AromaticContact CZ3-ND1 3.43Å; W163-H188 WeakPolarHBondContact CZ3-ND1 3.25Å
164N86.4Confident90.1Very high70 Ų7079.4 Ų79.437%0.37443%0.433SS..  trans-101100.9-179.7-168.8-23.9000110.8E166 M167 G168 D169N164-E166 PolarHBondContact O-N 2.92Å; N164-E166 WeakPolarHBondContact OD1-CB 3.3Å; N164-E166 PolarHBondContact OD1-N 2.99Å; N164-M167 HydrophobicContact CB-CB 3.97Å; N164-M167 HydrophobicContact CB-CG 3.67Å; N164-M167 WeakPolarHBondContact ND2-CG 3.38Å; N164-M167 PolarHBondContact O-N 3.22Å; N164-M167 PolarHBondContact OD1-N 2.88Å; N164-G168 PolarHBondContact O-N 3.37Å; N164-D169 PolarHBondContact N-OD2 3.12Å; N164-D169 PolarHBondContact O-N 2.66Å
165I85.8Confident90.6Very high125 Ų12579.8 Ų79.864%0.64143%0.425SS*.G310 helixtrans-59.7-36.2-180-57.4174000110.9M167 G168I165-M167 VanDerWaalsContact C-N 3.26Å; I165-M167 PolarHBondContact O-N 3.14Å; I165-G168 PolarHBondContact O-N 3.23Å
166E85.1Confident90.9Very high142 Ų14276.8 Ų76.866%0.66441%0.409SS*.G310 helixtrans-65.4-32.8178.5-57.1-174.1162.600111.8R87 N164 G168R87-E166 PolarHBondContact NH2-O 2.91Å; N164-E166 PolarHBondContact O-N 2.92Å; N164-E166 WeakPolarHBondContact OD1-CB 3.3Å; N164-E166 PolarHBondContact OD1-N 2.99Å; E166-G168 PolarHBondContact O-N 2.91Å
167M84.4Confident91Very high40 Ų4071.1 Ų71.120%0.19740%0.395CS..G310 helixtrans-80.90.3176.8-53.6-65.9-107.600112.6I80 Q81 P82 N164 I165 Y191I80-M167 HydrophobicContact CB-CE 4.1Å; I80-M167 HydrophobicContact CG2-CE 3.32Å; I80-M167 WeakPolarHBondContact O-CE 3.43Å; Q81-M167 HydrophobicContact CG-CE 4.32Å; Q81-M167 HydrophobicContact CG-SD 3.3Å; Q81-M167 WeakPolarHBondContact CG-SD 3.28Å; P82-M167 WeakPolarHBondContact CD-O 2.99Å; P82-M167 VanDerWaalsContact CG-O 3.28Å; P82-M167 WeakPolarHBondContact CG-O 3.45Å; N164-M167 HydrophobicContact CB-CB 3.97Å; N164-M167 HydrophobicContact CB-CG 3.67Å; N164-M167 WeakPolarHBondContact ND2-CG 3.38Å; N164-M167 PolarHBondContact O-N 3.22Å; N164-M167 PolarHBondContact OD1-N 2.88Å; I165-M167 VanDerWaalsContact C-N 3.26Å; I165-M167 PolarHBondContact O-N 3.14Å; M167-Y191 WeakPolarHBondContact O-CB 3.48Å
168G87.9Confident91.1Very high8 Ų870.8 Ų70.88%0.08239%0.394CS..THydrogen-bonded Turntrans85.29176.100000114.7Y139 N164 I165 E166 T170Y139-G168 WeakPolarHBondContact CE1-O 3.46Å; N164-G168 PolarHBondContact O-N 3.37Å; I165-G168 PolarHBondContact O-N 3.23Å; E166-G168 PolarHBondContact O-N 2.91Å; G168-T170 PolarHBondContact O-N 2.62Å
169D92Very high91.1Very high25 Ų2571.1 Ų71.113%0.13438%0.384CS..  trans-59.8137.5171.8-66.1-23.4000110W163 N164 A189 V190 Y191W163-D169 HydrophobicContact CB-CB 3.62Å; W163-D169 HydrophobicContact CG-CB 4.14Å; N164-D169 PolarHBondContact N-OD2 3.12Å; N164-D169 PolarHBondContact O-N 2.66Å; D169-A189 WeakPolarHBondContact CA-O 3.34Å; D169-V190 WeakPolarHBondContact OD1-CA 3.24Å; D169-Y191 PolarHBondContact OD1-N 2.6Å
170T93.4Very high91.3Very high10 Ų1072.6 Ų72.66%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-152.3162-177.6-171.20000111.7I88 Q90 L93 G168 A189I88-T170 HydrophobicContact CB-CG2 4.06Å; I88-T170 HydrophobicContact CG2-CG2 4.13Å; Q90-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q90-T170 PolarHBondContact NE2-OG1 3.37Å; Q90-T170 VanDerWaalsContact NE2-OG1 3.12Å; L93-T170 HydrophobicContact CD1-CG2 4.17Å; G168-T170 PolarHBondContact O-N 2.62Å; T170-A189 HydrophobicContact CG2-CB 3.88Å; T170-A189 PolarHBondContact N-O 2.72Å; T170-A189 PolarHBondContact O-N 2.98Å
171Y94.8Very high91.5Very high67 Ų6763.5 Ų63.526%0.26334%0.34SS..EExtended strand (participates in β ladder)trans-131.2163.8170.480.6-70.1000110.8Q90 W163 I187Q90-Y171 WeakPolarHBondContact CG-O 3.5Å; W163-Y171 AromaticContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD2 4.21Å; W163-Y171 AromaticContact CH2-CE1 3.67Å; W163-Y171 HydrophobicContact CH2-CE1 3.67Å; W163-Y171 AromaticContact CH2-CG 3.39Å; W163-Y171 HydrophobicContact CH2-CG 3.39Å; W163-Y171 AromaticContact CZ2-CD1 3.18Å; W163-Y171 HydrophobicContact CZ2-CD1 3.18Å; W163-Y171 AromaticContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CG 4.01Å; W163-Y171 HydrophobicContact CZ3-CD1 4.02Å; W163-Y171 HydrophobicContact CZ3-CG 4.04Å; Y171-I187 CarbonylContact C-O 3.07Å; Y171-I187 WeakPolarHBondContact CA-O 3.41Å
172A95.7Very high91.8Very high8 Ų861.8 Ų61.87%0.06633%0.325CS..EExtended strand (participates in β ladder)trans-148.1149166.400000109.4L93 R94 I97 I186 I187L93-A172 HydrophobicContact CB-CB 3.52Å; L93-A172 HydrophobicContact CD1-CB 4.32Å; R94-A172 HydrophobicContact CB-CB 4.4Å; I97-A172 HydrophobicContact CD1-CB 4.13Å; A172-I186 WeakPolarHBondContact O-CA 3.44Å; A172-I187 PolarHBondContact N-O 3.12Å; A172-I187 PolarHBondContact O-N 3.19Å
173S96.3Very high92.1Very high56 Ų5653 Ų5339%0.39228%0.28SS..EExtended strand (participates in β ladder)trans-131.6154.2171.967.30000110.7G185S173-G185 VanDerWaalsContact CA-O 3.23Å; S173-G185 WeakPolarHBondContact CA-O 3.46Å
174A97Very high92.5Very high6 Ų649.9 Ų49.95%0.0527%0.27CS..EExtended strand (participates in β ladder)trans-150.1153.3170.400000110.1R94 I97 Q98 G185R94-A174 HydrophobicContact CG-CB 4.44Å; I97-A174 HydrophobicContact CB-CB 3.95Å; I97-A174 HydrophobicContact CG2-CB 3.65Å; Q98-A174 HydrophobicContact CB-CB 4.36Å; A174-G185 PolarHBondContact N-O 2.86Å; A174-G185 PolarHBondContact O-N 2.88Å
175I95.6Very high93Very high110 Ų11046.6 Ų46.656%0.56425%0.252SS*.EExtended strand (participates in β ladder)trans-122.8132.4-174.7-57176.4000108Q98 A183 V184Q98-I175 PolarHBondContact OE1-O 2.89Å; I175-A183 WeakPolarHBondContact CA-O 3.44Å; I175-V184 HydrophobicContact CG1-CG1 4.27Å; I175-V184 HydrophobicContact CG1-CG2 4.11Å; I175-V184 HydrophobicContact CG2-CG2 4.3Å
176F95.7Very high93.6Very high21 Ų2141.1 Ų41.19%0.09222%0.224CC..EExtended strand (participates in β ladder)trans-115.1138.9170174.6-94.8000109.2L101 D102 L105 N178 I181 F182 A183L101-F176 HydrophobicContact CB-CB 3.77Å; L101-F176 HydrophobicContact CB-CG 4.31Å; L101-F176 HydrophobicContact CD1-CB 4.07Å; L101-F176 HydrophobicContact CG-CB 4.5Å; D102-F176 WeakPolarHBondContact OD1-CD2 3.34Å; L105-F176 HydrophobicContact CB-CD1 3.57Å; L105-F176 HydrophobicContact CB-CE1 3.26Å; L105-F176 HydrophobicContact CB-CG 4.37Å; L105-F176 HydrophobicContact CB-CZ 3.83Å; L105-F176 HydrophobicContact CD1-CD1 3.63Å; L105-F176 HydrophobicContact CD1-CE1 4.2Å; L105-F176 HydrophobicContact CD1-CG 4.27Å; L105-F176 HydrophobicContact CG-CD1 4.27Å; L105-F176 HydrophobicContact CG-CE1 4.38Å; F176-N178 HydrophobicContact CE1-CB 4.02Å; F176-N178 HydrophobicContact CZ-CB 4.1Å; F176-I181 HydrophobicContact CE1-CG2 4.27Å; F176-F182 CarbonylContact O-C 3.51Å; F176-F182 VanDerWaalsContact O-CA 3.29Å; F176-F182 WeakPolarHBondContact O-CA 3.1Å; F176-A183 PolarHBondContact N-O 2.93Å; F176-A183 PolarHBondContact O-N 3.1Å
177S93.5Very high94.1Very high81 Ų8134.4 Ų34.457%0.56619%0.193SC*.EExtended strand (participates in β ladder)trans-144.3130.8173-166.60000110
178N92.3Very high94.6Very high59 Ų5933.3 Ų33.332%0.31619%0.187SC..  trans-113.6-178.8165.5-166-2000108.5K106 F176 K180 I181K106-N178 PolarHBondContact O-ND2 3.28Å; F176-N178 HydrophobicContact CE1-CB 4.02Å; F176-N178 HydrophobicContact CZ-CB 4.1Å; N178-K180 PolarHBondContact O-N 3.19Å; N178-I181 HydrophobicContact CB-CG2 4.22Å; N178-I181 PolarHBondContact N-O 2.76Å
179S92.7Very high94.9Very high83 Ų8332.9 Ų32.958%0.5818%0.183SC*.SBendtrans-61.9-24.3174.353.80000113.6P150P150-S179 VanDerWaalsContact CG-O 3.26Å; P150-S179 WeakPolarHBondContact CG-O 3.35Å
180K92.9Very high95Very high95 Ų9534.6 Ų34.641%0.41319%0.194SC..SBendtrans-117.8-16.7-171.5-60.8175.7-173.4179.90115.2N109 Y110 P150 N178N109-K180 HydrophobicContact CB-CD 4.17Å; N109-K180 WeakPolarHBondContact OD1-CD 3.42Å; N109-K180 WeakPolarHBondContact OD1-CE 3.3Å; N109-K180 PolarHBondContact OD1-NZ 2.95Å; Y110-K180 WeakPolarHBondContact CB-O 3.4Å; P150-K180 VanDerWaalsContact CD-O 3.23Å; P150-K180 WeakPolarHBondContact CD-O 3.42Å; N178-K180 PolarHBondContact O-N 3.19Å
181I94.6Very high94.9Very high3 Ų335.3 Ų35.32%0.01520%0.196CC..  trans-149.4142.1-175.4-172.5161.1000109.7L105 V108 Y110 I147 G148 P150 F176 N178L105-I181 HydrophobicContact CD2-CD1 4.14Å; V108-I181 HydrophobicContact CG1-CD1 4.25Å; V108-I181 WeakPolarHBondContact O-CG2 3.43Å; Y110-I181 HydrophobicContact CD2-CD1 4.23Å; Y110-I181 HydrophobicContact CD2-CG1 4.26Å; I147-I181 HydrophobicContact CG2-CD1 3.52Å; I147-I181 HydrophobicContact CG2-CG1 3.78Å; G148-I181 WeakPolarHBondContact O-CA 3.44Å; P150-I181 VanDerWaalsContact CD-N 3.34Å; F176-I181 HydrophobicContact CE1-CG2 4.27Å; N178-I181 HydrophobicContact CB-CG2 4.22Å; N178-I181 PolarHBondContact N-O 2.76Å
182F94.7Very high94.4Very high23 Ų2337.1 Ų37.110%0.10121%0.205CC..EExtended strand (participates in β ladder)trans-119.6152.6164.674.9-99.6000109.8I147 G148 S149 P150 I155 F176I147-F182 WeakPolarHBondContact CA-O 3.02Å; G148-F182 VanDerWaalsContact CA-CE1 3.48Å; G148-F182 VanDerWaalsContact CA-CZ 3.46Å; G148-F182 PolarHBondContact N-O 2.7Å; G148-F182 WeakPolarHBondContact O-CD1 2.77Å; G148-F182 PolarHBondContact O-N 2.91Å; S149-F182 VanDerWaalsContact O-CE1 3.3Å; S149-F182 WeakPolarHBondContact O-CE1 3.43Å; P150-F182 HydrophobicContact CB-CD1 4.5Å; I155-F182 HydrophobicContact CD1-CD2 4.39Å; I155-F182 HydrophobicContact CD1-CE2 3.27Å; I155-F182 HydrophobicContact CD1-CZ 3.57Å; I155-F182 HydrophobicContact CG1-CE2 3.7Å; I155-F182 HydrophobicContact CG1-CZ 3.67Å; I155-F182 HydrophobicContact CG2-CZ 4.11Å; F176-F182 CarbonylContact O-C 3.51Å; F176-F182 VanDerWaalsContact O-CA 3.29Å; F176-F182 WeakPolarHBondContact O-CA 3.1Å
183A95.8Very high93.2Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-142.1147172.500000112.1L101 L105 H146 I147 I175 F176L101-A183 HydrophobicContact CD2-CB 4.11Å; L105-A183 HydrophobicContact CD1-CB 3.32Å; H146-A183 CarbonylContact O-C 3.49Å; H146-A183 WeakPolarHBondContact O-CA 3.35Å; I147-A183 HydrophobicContact CG1-CB 4.21Å; I175-A183 WeakPolarHBondContact CA-O 3.44Å; F176-A183 PolarHBondContact N-O 2.93Å; F176-A183 PolarHBondContact O-N 3.1Å
184V96.3Very high93Very high16 Ų1641.9 Ų41.910%0.09722%0.221CC..EExtended strand (participates in β ladder)trans-126.6121.2175.2-176.80000108.3V145 H146 I157 I175 I186V145-V184 CarbonylContact C-O 3.59Å; V145-V184 WeakPolarHBondContact CA-O 3.46Å; H146-V184 HydrophobicContact CB-CB 4.34Å; H146-V184 PolarHBondContact N-O 2.93Å; H146-V184 PolarHBondContact O-N 2.83Å; I157-V184 HydrophobicContact CD1-CB 3.73Å; I157-V184 HydrophobicContact CD1-CG1 3.91Å; I157-V184 HydrophobicContact CD1-CG2 3.83Å; I175-V184 HydrophobicContact CG1-CG1 4.27Å; I175-V184 HydrophobicContact CG1-CG2 4.11Å; I175-V184 HydrophobicContact CG2-CG2 4.3Å; V184-I186 HydrophobicContact CG1-CD1 4.49Å; V184-I186 HydrophobicContact CG1-CG1 4.26Å
185G97Very high92.8Very high0 Ų043.8 Ų43.80%023%0.23CC..EExtended strand (participates in β ladder)trans-106.8131.5174.700000110.5Q144 S173 A174Q144-G185 WeakPolarHBondContact O-CA 3.42Å; S173-G185 VanDerWaalsContact CA-O 3.23Å; S173-G185 WeakPolarHBondContact CA-O 3.46Å; A174-G185 PolarHBondContact N-O 2.86Å; A174-G185 PolarHBondContact O-N 2.88Å
186I97.1Very high92.7Very high11 Ų1140.1 Ų40.16%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-127.7130.5176.5-57.3166.2000108.1V143 Q144 I157 A172 V184V143-I186 WeakPolarHBondContact CA-O 2.83Å; Q144-I186 HydrophobicContact CB-CB 4.35Å; Q144-I186 PolarHBondContact N-O 3.44Å; Q144-I186 PolarHBondContact O-N 3.27Å; I157-I186 HydrophobicContact CG2-CD1 3.79Å; A172-I186 WeakPolarHBondContact O-CA 3.44Å; V184-I186 HydrophobicContact CG1-CD1 4.49Å; V184-I186 HydrophobicContact CG1-CG1 4.26Å
187I96.6Very high92.5Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-125.3124.7177.4-58.2-172.1000108.7L93 I97 L126 V130 F141 V142 V143 Y171 A172L93-I187 HydrophobicContact CD1-CG2 4.47Å; I97-I187 HydrophobicContact CD1-CB 4.12Å; I97-I187 HydrophobicContact CD1-CD1 3.82Å; I97-I187 HydrophobicContact CD1-CG1 3.67Å; I97-I187 HydrophobicContact CG1-CD1 3.47Å; I97-I187 VanDerWaalsContact CG1-CD1 3.47Å; I97-I187 HydrophobicContact CG1-CG1 3.84Å; L126-I187 HydrophobicContact CB-CD1 4.23Å; L126-I187 HydrophobicContact CD2-CD1 4.38Å; V130-I187 HydrophobicContact CG2-CD1 3.57Å; V130-I187 HydrophobicContact CG2-CG2 4.41Å; F141-I187 HydrophobicContact CD1-CG2 4.49Å; V142-I187 CarbonylContact O-C 3.54Å; V142-I187 WeakPolarHBondContact O-CA 3.19Å; V143-I187 HydrophobicContact CG1-CG1 4.28Å; V143-I187 HydrophobicContact CG2-CD1 4.33Å; V143-I187 HydrophobicContact CG2-CG1 4.14Å; V143-I187 HydrophobicContact CG2-CG2 4.42Å; Y171-I187 CarbonylContact C-O 3.07Å; Y171-I187 WeakPolarHBondContact CA-O 3.41Å; A172-I187 PolarHBondContact N-O 3.12Å; A172-I187 PolarHBondContact O-N 3.19Å
188H95.2Very high92.4Very high17 Ų1738.8 Ų38.88%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-104127.2167.6-58-87.3000108.9F141 V142 W163F141-H188 WeakPolarHBondContact CA-O 3.41Å; V142-H188 HydrophobicContact CB-CB 4.23Å; V142-H188 PolarHBondContact N-O 3.32Å; V142-H188 PolarHBondContact O-N 3.08Å; W163-H188 AromaticContact CZ3-CE1 3.85Å; W163-H188 AromaticContact CZ3-ND1 3.43Å; W163-H188 WeakPolarHBondContact CZ3-ND1 3.25Å
189A94.3Very high92.4Very high0 Ų037.4 Ų37.40%019%0.189CC..EExtended strand (participates in β ladder)trans-109.4112.1173.200000108.4I88 L93 Y139 F141 D169 T170I88-A189 HydrophobicContact CD1-CB 3.94Å; L93-A189 HydrophobicContact CD1-CB 4.31Å; Y139-A189 HydrophobicContact CD1-CB 4.15Å; F141-A189 HydrophobicContact CD1-CB 3.77Å; F141-A189 HydrophobicContact CE1-CB 3.61Å; D169-A189 WeakPolarHBondContact CA-O 3.34Å; T170-A189 HydrophobicContact CG2-CB 3.88Å; T170-A189 PolarHBondContact N-O 2.72Å; T170-A189 PolarHBondContact O-N 2.98Å
190V92.7Very high92.4Very high60 Ų6034.1 Ų34.136%0.36416%0.161SC..EExtended strand (participates in β ladder)trans-113124.7-178.5-178.70000108.4Y139 K140 D169Y139-V190 CarbonylContact C-O 3.47Å; Y139-V190 WeakPolarHBondContact CA-O 3.05Å; K140-V190 PolarHBondContact N-O 3.41Å; K140-V190 PolarHBondContact O-N 3.14Å; D169-V190 WeakPolarHBondContact OD1-CA 3.24Å
191Y91.2Very high92.4Very high25 Ų2529.5 Ų29.510%0.09814%0.142CC..EExtended strand (participates in β ladder)trans-69.8135.8179.5178.5-91.8000110.4R79 I80 Q81 P82 R138 Y139 M167 D169R79-Y191 PolarHBondContact O-OH 3.05Å; I80-Y191 WeakPolarHBondContact O-CE1 3.45Å; Q81-Y191 VanDerWaalsContact C-OH 3.23Å; Q81-Y191 PolarHBondContact N-OH 2.85Å; Q81-Y191 PolarHBondContact O-OH 2.94Å; Q81-Y191 VanDerWaalsContact O-OH 3.08Å; P82-Y191 HydrophobicContact CB-CD2 3.91Å; P82-Y191 HydrophobicContact CB-CE2 3.76Å; P82-Y191 HydrophobicContact CG-CD2 4.1Å; P82-Y191 HydrophobicContact CG-CE2 4.24Å; R138-Y191 HydrophobicContact CB-CD2 4.46Å; R138-Y191 HydrophobicContact CB-CE2 3.95Å; R138-Y191 PolarHBondContact NH1-OH 3.33Å; R138-Y191 PolarHBondContact NH2-OH 3.41Å; R138-Y191 WeakPolarHBondContact O-CD2 3.33Å; Y139-Y191 HydrophobicContact CD2-CD2 4.08Å; Y139-Y191 HydrophobicContact CE1-CD2 4.28Å; Y139-Y191 AromaticContact CE2-CD2 3.78Å; Y139-Y191 HydrophobicContact CE2-CD2 3.78Å; Y139-Y191 AromaticContact CZ-CD2 3.89Å; M167-Y191 WeakPolarHBondContact O-CB 3.48Å; D169-Y191 PolarHBondContact OD1-N 2.6Å
192F84.7Confident92.2Very high106 Ų10631.7 Ų31.747%0.46515%0.152SC..  trans-134.6140-174.5180-105.9000110.8R138 K140R138-F192 WeakPolarHBondContact CB-O 3.37Å; R138-F192 PolarHBondContact O-N 3.41Å; K140-F192 HydrophobicContact CD-CB 3.96Å; K140-F192 HydrophobicContact CD-CD1 4.37Å; K140-F192 HydrophobicContact CD-CD2 3.98Å; K140-F192 HydrophobicContact CD-CG 3.82Å; K140-F192 VanDerWaalsContact CE-CD2 3.45Å; K140-F192 HydrophobicContact CG-CB 3.9Å; K140-F192 HydrophobicContact CG-CG 4.15Å
193E70.4Confident91.9Very high122 Ų12232.5 Ų32.557%0.5716%0.157SC*.  trans-72.60178.5-174.6169.2-150.900114Y78Y78-E193 VanDerWaalsContact CD1-OE1 3.25Å; Y78-E193 WeakPolarHBondContact CD1-OE1 3.49Å

Retrieved 193 of 193 residues in 33.7 ms (Link to these results)