A0A087Y6I3_POEFO Loading...

Testican-2

May participate in diverse steps of neurogenesis. Binds calcium.

AlphaFold DB , UniProt , Accession A0A087Y6I3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M40.2Very low34.7Very low238 Ų238145.6 Ų145.6100%1.17279%0.788SS**  0153.70-74.6-177.7-143.600108
2V32.2Very low34.6Very low136 Ų136140.9 Ų140.982%0.82478%0.783SS**  trans89.191.6-175.8-1660000111.8
3E32.8Very low35.5Very low158 Ų158138.8 Ų138.874%0.73878%0.78SS**  68.9115.782.6-72.4-128.8123.400112.3
4M35.8Very low35.2Very low161 Ų161140.3 Ų140.379%0.79378%0.784SS**  90112.866.7-159.6151.29200112.6
5S34.5Very low35Very low98 Ų98140.2 Ų140.269%0.68578%0.78SS**  trans75.6151.2150.4-135.70000122.5
6D36.3Very low34.9Very low141 Ų141139.7 Ų139.775%0.75477%0.772SS**  trans88.3101.9158-53.9-20.9000116.9
7M36.3Very low35Very low173 Ų173142.2 Ų142.285%0.85277%0.773SS**  69.1123.267-146.4-155.5171.400112.7
8V37.1Very low35Very low105 Ų105139.4 Ų139.464%0.63677%0.773SS**  trans105.1121148.7-171.40000118.3
9C32.3Very low34.8Very low102 Ų102135.7 Ų135.769%0.68977%0.769SS**  trans75.1145.5148.9-76.80000119.2
10L30.9Very low34.5Very low139 Ų139134.5 Ų134.573%0.72877%0.77SS**  cis-179.2163.1-11.4-111174.5000104.1
11L33.8Very low34.5Very low151 Ų151134 Ų13479%0.79177%0.77SS**  trans87.793.5162.8-44.2-177000115.6
12A33.4Very low34.2Very low89 Ų89131.3 Ų131.374%0.73676%0.759SS**  79.9162.375.200000113.5
13P45.8Very low34.4Very low114 Ų114133.8 Ų133.874%0.7476%0.762SS**  cis-137.2172.4-45.436.7-20.2000112.3
14L31Very low34.3Very low159 Ų159130.7 Ų130.783%0.83276%0.763SS**  trans-167.393.6150.6-102.4151.6000107.5
15L32.9Very low34Very low139 Ų139129.9 Ų129.973%0.72876%0.762SS**  56.5110.2106.7-81.1164.4000113.5
16M33.2Very low34.1Very low132 Ų132131.2 Ų131.265%0.6577%0.766SS**  166.4130.7105-89.4-50.2-141.200114.1
17F36Very low33.7Very low182 Ų182134.3 Ų134.380%0.79877%0.773SS**  trans65.1144.4157.2-55.1-64000119.6
18A36.1Very low33.4Very low92 Ų92130.9 Ų130.976%0.7677%0.766SS**  cis-177.1145.2-18.300000106.8
19G30Very low32.9Very low69 Ų69131.9 Ų131.971%0.71177%0.772SS**  trans74.793152.400000117.9
20S29.9Very low33.1Very low111 Ų111138 Ų13878%0.77678%0.78SS**  67.488.689-55.10000113.7
21T35Very low32.8Very low125 Ų125139.9 Ų139.977%0.76779%0.785SS**  62.6116.896.461.60000115.1
22L32.1Very low32.6Very low181 Ų181136.6 Ų136.695%0.94878%0.78SS**  trans-149128.7133.4-87.4-173.9000111
23Q37.1Very low32.9Very low188 Ų188142 Ų14288%0.87979%0.79SS**  trans-106.2138.9171.9-177.2179.620.600106.4
24A30.3Very low32.2Very low93 Ų93145.4 Ų145.477%0.76979%0.793SS**  trans157.4150.8157.800000109
25D29.2Very low32.4Very low145 Ų145143.7 Ų143.778%0.77579%0.794SS**  cis-169.8153.6-27-146.2-53.3000104.7
26V38.4Very low32.3Very low126 Ų126139.6 Ų139.676%0.76479%0.786SS**  trans5.4127.4166.5171.70000120.9
27K26Very low32.6Very low206 Ų206137.9 Ų137.990%0.89678%0.779SS**  -156121.4126.1-152165-175.6173.70114.2
28S30.1Very low33Very low101 Ų101136.6 Ų136.671%0.70677%0.773SS**  trans-53.5132.4171153.90000114.4
29V26.7Very low33.5Very low126 Ų126137 Ų13776%0.76476%0.761SS**  trans-140105.4138.1178.10000108.2
30R36.5Very low34.1Very low231 Ų231140 Ų14087%0.87276%0.756SS**  trans-58.8127.7148.3-99.2176.3158.5173.5-5.3107.2
31E25.3Very low34.6Very low178 Ų178139.2 Ų139.283%0.83274%0.743SS**  trans-165.6111.2141.1-109.4165.8-174.700111.2
32A29.4Very low34.9Very low81 Ų81140.7 Ų140.767%0.66974%0.742SS**  trans46.3107.8142.900000117.4K34A32-K34 VanDerWaalsContact C-N 3.28Å; A32-K34 PolarHBondContact O-N 3.2Å
33E39.1Very low35.3Very low202 Ų202138.8 Ų138.894%0.94473%0.728SS**  20.673.474.5-97.7-162.8140.500113.1
34K31.8Very low35.8Very low187 Ų187135.8 Ų135.881%0.81371%0.709SS**  trans-153.278.7151.9-141.2173-174.8-176.30109A32 G36A32-K34 VanDerWaalsContact C-N 3.28Å; A32-K34 PolarHBondContact O-N 3.2Å; K34-G36 PolarHBondContact O-N 2.87Å
35S34.9Very low36.3Very low122 Ų122134.8 Ų134.885%0.85369%0.69SS**  trans-64.683.2151.658.50000106.2N37S35-N37 PolarHBondContact O-N 3.24Å; S35-N37 VanDerWaalsContact O-N 3.13Å
36G30.6Very low36.7Very low54 Ų54130 Ų13056%0.55767%0.668SS**  trans-61.3116.1173.700000107.6K34 F38K34-G36 PolarHBondContact O-N 2.87Å; G36-F38 PolarHBondContact O-N 3.04Å
37N41.1Very low37Very low96 Ų96127 Ų12751%0.51365%0.65SS.*  trans-46.6106.6160.2-87-15.6000107.8S35 M39 E40S35-N37 PolarHBondContact O-N 3.24Å; S35-N37 VanDerWaalsContact O-N 3.13Å; N37-M39 PolarHBondContact O-N 3.3Å; N37-E40 HydrophobicContact CB-CB 3.9Å; N37-E40 HydrophobicContact CB-CG 3.61Å; N37-E40 VanDerWaalsContact ND2-CD 3.33Å; N37-E40 PolarHBondContact ND2-OE1 3.43Å; N37-E40 PolarHBondContact O-N 3.25Å
38F42.8Very low37.6Very low154 Ų154120.1 Ų120.168%0.67562%0.622SS**THydrogen-bonded Turntrans-59.3-8.5172.8177-103.8000112.2G36G36-F38 PolarHBondContact O-N 3.04Å
39M47.8Very low38Very low100 Ų100117.3 Ų117.349%0.49360%0.603SS.*THydrogen-bonded Turntrans-99.7-2.2174.1-75.5172.8-160.600115.3N37 W44 A269N37-M39 PolarHBondContact O-N 3.3Å; M39-W44 VanDerWaalsContact O-CD1 3.26Å; M39-W44 PolarHBondContact O-NE1 2.03Å; M39-A269 HydrophobicContact CE-CB 3.61Å; M39-A269 HydrophobicContact SD-CB 3.65Å
40E42.6Very low38.5Very low133 Ų133116.9 Ų116.962%0.62159%0.592SS**  trans-87.1-5.5178-86.4173.8-177.900113.9N37 E42N37-E40 HydrophobicContact CB-CB 3.9Å; N37-E40 HydrophobicContact CB-CG 3.61Å; N37-E40 VanDerWaalsContact ND2-CD 3.33Å; N37-E40 PolarHBondContact ND2-OE1 3.43Å; N37-E40 PolarHBondContact O-N 3.25Å; E40-E42 PolarHBondContact O-N 2.03Å
41D38.8Very low38.5Very low94 Ų94112.8 Ų112.850%0.50358%0.578SS.*  trans-7096.7174.5-70.3-26.5000109.2Q43 W44D41-Q43 HydrophobicContact CB-CB 4.21Å; D41-Q43 CarbonylContact O-C 3.09Å; D41-Q43 WeakPolarHBondContact O-CA 3.48Å; D41-Q43 PolarHBondContact O-N 2.92Å; D41-W44 PolarHBondContact O-N 3.15Å
42E42.3Very low39.2Very low156 Ų156108.8 Ų108.873%0.72957%0.569SS**THydrogen-bonded Turntrans-48.9-8.8170.4-67-140.314400114.3E40 W44 L45 S46E40-E42 PolarHBondContact O-N 2.03Å; E42-W44 PolarHBondContact O-N 3.33Å; E42-L45 PolarHBondContact O-N 3.09Å; E42-S46 PolarHBondContact O-N 2.95Å
43Q40.2Very low39.5Very low141 Ų141113.4 Ų113.466%0.65957%0.569SS**Hα-helixtrans-56.5-28.4164-152161.41200113.7D41 S46 T47D41-Q43 HydrophobicContact CB-CB 4.21Å; D41-Q43 CarbonylContact O-C 3.09Å; D41-Q43 WeakPolarHBondContact O-CA 3.48Å; D41-Q43 PolarHBondContact O-N 2.92Å; Q43-S46 PolarHBondContact O-N 3.27Å; Q43-S46 PolarHBondContact O-OG 3.07Å; Q43-T47 PolarHBondContact O-N 3.49Å; Q43-T47 PolarHBondContact O-OG1 3.26Å
44W47.2Very low39.4Very low126 Ų126112.9 Ų112.948%0.47756%0.564SS.*Hα-helixtrans-71.4-40.1176.978.1-104.7000112.6M39 D41 E42 S46 T47 I48M39-W44 VanDerWaalsContact O-CD1 3.26Å; M39-W44 PolarHBondContact O-NE1 2.03Å; D41-W44 PolarHBondContact O-N 3.15Å; E42-W44 PolarHBondContact O-N 3.33Å; W44-S46 VanDerWaalsContact C-N 3.29Å; W44-S46 PolarHBondContact O-N 3.31Å; W44-T47 PolarHBondContact O-N 2.95Å; W44-I48 HydrophobicContact CE3-CD1 3.64Å; W44-I48 HydrophobicContact CZ3-CD1 3.73Å; W44-I48 PolarHBondContact O-N 3.46Å
45L41.6Very low39.8Very low72 Ų72108.2 Ų108.238%0.37755%0.547SS..Hα-helixtrans-66.4-31.4173.5-72.4172.3000112.2E42 S49E42-L45 PolarHBondContact O-N 3.09Å; L45-S49 PolarHBondContact O-N 2.9Å; L45-S49 PolarHBondContact O-OG 3.46Å
46S37.7Very low39.9Very low45 Ų45112.3 Ų112.332%0.31555%0.55SS..Hα-helixtrans-70.7-32.4177.180.60000112.6E42 Q43 W44 S49 Q50E42-S46 PolarHBondContact O-N 2.95Å; Q43-S46 PolarHBondContact O-N 3.27Å; Q43-S46 PolarHBondContact O-OG 3.07Å; W44-S46 VanDerWaalsContact C-N 3.29Å; W44-S46 PolarHBondContact O-N 3.31Å; S46-S49 PolarHBondContact O-OG 2.91Å; S46-Q50 WeakPolarHBondContact O-CB 3.45Å; S46-Q50 WeakPolarHBondContact O-CG 3.07Å; S46-Q50 PolarHBondContact O-N 3.49Å
47T43.9Very low40Very low62 Ų62116 Ų11638%0.3855%0.552SS.*Hα-helixtrans-74.2-43-179-54.70000110.8Q43 W44 S49 Q50 Y51Q43-T47 PolarHBondContact O-N 3.49Å; Q43-T47 PolarHBondContact O-OG1 3.26Å; W44-T47 PolarHBondContact O-N 2.95Å; T47-S49 PolarHBondContact O-N 3.22Å; T47-Q50 PolarHBondContact O-N 3.23Å; T47-Y51 HydrophobicContact CG2-CD2 3.79Å; T47-Y51 HydrophobicContact CG2-CE2 3.77Å; T47-Y51 WeakPolarHBondContact O-CD2 2.98Å; T47-Y51 PolarHBondContact O-N 3.37Å
48I40Very low39.7Very low61 Ų61122.1 Ų122.131%0.31357%0.568SS.*Hα-helixtrans-62.6-42.9176.4-65.3171.2000111.3W44 S52W44-I48 HydrophobicContact CE3-CD1 3.64Å; W44-I48 HydrophobicContact CZ3-CD1 3.73Å; W44-I48 PolarHBondContact O-N 3.46Å; I48-S52 PolarHBondContact O-N 2.88Å
49S37.3Very low39.3Very low42 Ų42122.2 Ų122.229%0.29458%0.576SS.*Hα-helixtrans-75-23.1176.670.60000114.1L45 S46 T47 S52 R53L45-S49 PolarHBondContact O-N 2.9Å; L45-S49 PolarHBondContact O-OG 3.46Å; S46-S49 PolarHBondContact O-OG 2.91Å; T47-S49 PolarHBondContact O-N 3.22Å; S49-S52 PolarHBondContact O-OG 3.19Å; S49-S52 VanDerWaalsContact O-OG 3.09Å; S49-R53 PolarHBondContact O-NE 3.31Å
50Q37.5Very low38.6Very low117 Ų117126.6 Ų126.655%0.54759%0.587SS.*Hα-helixtrans-77.5-36.1173-83.3177.8-4.400112.4S46 T47 R53 K54S46-Q50 WeakPolarHBondContact O-CB 3.45Å; S46-Q50 WeakPolarHBondContact O-CG 3.07Å; S46-Q50 PolarHBondContact O-N 3.49Å; T47-Q50 PolarHBondContact O-N 3.23Å; Q50-R53 PolarHBondContact O-N 3.26Å; Q50-K54 PolarHBondContact O-N 3Å; Q50-K54 VanDerWaalsContact O-N 3.09Å
51Y37.2Very low37.9Very low146 Ų146129.5 Ų129.557%0.57360%0.598SS**Hα-helixtrans-68.9-38.8173.7-89.1-85.9000112.1T47 R53 K54 I55T47-Y51 HydrophobicContact CG2-CD2 3.79Å; T47-Y51 HydrophobicContact CG2-CE2 3.77Å; T47-Y51 WeakPolarHBondContact O-CD2 2.98Å; T47-Y51 PolarHBondContact O-N 3.37Å; Y51-R53 PolarHBondContact O-N 3.48Å; Y51-K54 PolarHBondContact O-N 3.49Å; Y51-I55 HydrophobicContact CD1-CD1 4.13Å; Y51-I55 PolarHBondContact O-N 2.66Å
52S38.6Very low37.7Very low93 Ų93135.4 Ų135.465%0.6561%0.613SS**Hα-helixtrans-62.4-25.917480.80000113.7I48 S49I48-S52 PolarHBondContact O-N 2.88Å; S49-S52 PolarHBondContact O-OG 3.19Å; S49-S52 VanDerWaalsContact O-OG 3.09Å
53R36.3Very low37.3Very low178 Ų178135 Ų13567%0.67262%0.616SS**Hα-helixtrans-94-20.6179.8-75.4-173.6-74.1-156-1.8114.6S49 Q50 Y51S49-R53 PolarHBondContact O-NE 3.31Å; Q50-R53 PolarHBondContact O-N 3.26Å; Y51-R53 PolarHBondContact O-N 3.48Å
54K38.1Very low37.1Very low191 Ų191135.8 Ų135.883%0.8363%0.625SS**Hα-helixtrans-97.8-18.8-178-106.9-178.7177.7178.70114.9Q50 Y51 K56Q50-K54 PolarHBondContact O-N 3Å; Q50-K54 VanDerWaalsContact O-N 3.09Å; Y51-K54 PolarHBondContact O-N 3.49Å; K54-K56 PolarHBondContact O-N 3Å
55I38.8Very low36.6Very low90 Ų90137.3 Ų137.346%0.46264%0.642SS.*  trans-97.281.2172.5-56.1173.5000108.6Y51 H57Y51-I55 HydrophobicContact CD1-CD1 4.13Å; Y51-I55 PolarHBondContact O-N 2.66Å; I55-H57 HydrophobicContact CG2-CB 4.23Å; I55-H57 PolarHBondContact O-N 2.95Å
56K37.6Very low36.4Very low208 Ų208144.6 Ų144.690%0.90467%0.666SS**  trans-65.522.4167.2-91.4-175.6173.8-178.10113.5K54K54-K56 PolarHBondContact O-N 3Å
57H31.8Very low36.3Very low130 Ų130147.3 Ų147.360%0.60268%0.681SS**  trans-134.239.9-166.7-162.9-77.6000113.9I55I55-H57 HydrophobicContact CG2-CB 4.23Å; I55-H57 PolarHBondContact O-N 2.95Å
58W35.2Very low35.9Very low225 Ų225155.1 Ų155.185%0.85270%0.703SS**SBendtrans-124.4-2.2165.6-87.682.7000115.1R60W58-R60 PolarHBondContact O-N 2.82Å
59N34.8Very low35.7Very low157 Ų157158.1 Ų158.184%0.8472%0.724SS**  trans-94.962.5167.9-67.9-9.9000110.8
60R32.3Very low35.5Very low192 Ų192167.4 Ų167.473%0.72575%0.753SS**  trans-102.120.8175.7-168.9147.4176.9122.52.3114.5W58W58-R60 PolarHBondContact O-N 2.82Å
61F29Very low35.1Very low193 Ų193168.4 Ų168.485%0.84676%0.762SS**SBendtrans-139119.4155.4-75.9-78.7000109.5
62R34.7Very low35.1Very low218 Ų218170.8 Ų170.882%0.82378%0.778SS**  trans84.197.9-175.7-57.1170.473.4144.70.8113.5
63D32.5Very low35.2Very low147 Ų147173.3 Ų173.379%0.78679%0.785SS**  -159.7134.576.9-79.7-37.6000110D65D63-D65 PolarHBondContact O-N 3.45Å
64D37.2Very low35Very low159 Ų159174 Ų17485%0.8580%0.795SS**  trans-59.3116.8152.5-77.8-57.7000107
65D37.2Very low34.8Very low157 Ų157168.1 Ų168.184%0.8479%0.79SS**  trans-16994.6139.9-91.1-24.6000109.2D63 V67D63-D65 PolarHBondContact O-N 3.45Å; D65-V67 PolarHBondContact O-N 2.94Å
66Y35.9Very low34.9Very low226 Ų226169.1 Ų169.189%0.88681%0.805SS**  trans-43.8111.8148178.8-99.9000108.9
67V36.9Very low34.6Very low102 Ų102167 Ų16762%0.61880%0.803SS**  trans159129.6142.4161.30000111.6D65D65-V67 PolarHBondContact O-N 2.94Å
68R35Very low35.5Very low226 Ų226168.3 Ų168.385%0.85381%0.814SS**  trans84.374.9164.1-78.2171.6-165.6152.63.1119.2
69T36.6Very low36.1Very low124 Ų124165.2 Ų165.276%0.76182%0.815SS**  -69.3144.3120.531.30000110.8
70W31.5Very low36.9Very low237 Ų237160.2 Ų160.290%0.89879%0.79SS**  trans89.794.1165.4-57.67.7000116.3
71D30.5Very low37.8Very low138 Ų138154.4 Ų154.474%0.73877%0.773SS**  -174.789.9115.8-120.5-43.9000111.3
72E37.3Very low39.1Very low195 Ų195149.1 Ų149.191%0.91176%0.757SS**SBendtrans-100.776.8151.2-90.7-167.7133.500107.1
73N40.4Very low40.1Very low146 Ų146143.8 Ų143.878%0.78175%0.748SS**  trans165.694.6141.2-103.2-31.4000110.5
74Q32.6Very low41.6Very low192 Ų192142.7 Ų142.790%0.89774%0.737SS**  trans-157.7135.2138.1-117.316715.400110.8
75G32.6Very low43Very low69 Ų69139.5 Ų139.571%0.71172%0.72SS**  trans-75-179.1-171.200000115.5
76S40.5Very low44.6Very low111 Ų111133.6 Ų133.678%0.77669%0.69SS**  trans52.897164.267.40000116.7
77N32.9Very low46.4Very low163 Ų163124 Ų12487%0.87266%0.655SS**  -156.9120.1118.8-97.7-33.9000109.1N79N77-N79 PolarHBondContact O-N 3.44Å
78D50.3Low48.2Very low157 Ų157126.7 Ų126.784%0.8466%0.661SS**  trans-57.699.7172.6-76.3-64.1000110.3V80D78-V80 HydrophobicContact CB-CG2 4.29Å
79N46.8Very low49.7Very low160 Ų160125.3 Ų125.386%0.85666%0.662SS**  trans-116.495.5155.4-157.71.6000107.5N77 D81N77-N79 PolarHBondContact O-N 3.44Å; N79-D81 PolarHBondContact O-N 2.91Å
80V52.2Low51.7Low53 Ų53122.3 Ų122.332%0.32164%0.643SS.*  trans-81.1112.2-166-176.30000110.3D78 T82 Q104D78-V80 HydrophobicContact CB-CG2 4.29Å; V80-T82 PolarHBondContact O-N 3.4Å; V80-T82 VanDerWaalsContact O-N 3.11Å; V80-Q104 HydrophobicContact CG1-CG 3.76Å; V80-Q104 VanDerWaalsContact CG2-NE2 3.26Å
81D51.4Low53.6Low70 Ų70121 Ų12137%0.37464%0.643SS.*  trans-62.7103.1172.6-1782.5000110.5N79 T83 K84N79-D81 PolarHBondContact O-N 2.91Å; D81-T83 PolarHBondContact O-N 2.92Å; D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.38Å; D81-T83 PolarHBondContact OD1-OG1 2.83Å; D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 3.31Å
82T55.5Low56Low82 Ų82116 Ų11650%0.50362%0.619SS.*THydrogen-bonded Turntrans-73.6-2.3-177.951.40000113.9V80 Y103V80-T82 PolarHBondContact O-N 3.4Å; V80-T82 VanDerWaalsContact O-N 3.11Å; T82-Y103 HydrophobicContact CG2-CG 4.33Å; T82-Y103 WeakPolarHBondContact O-CD1 3.46Å
83T56.8Low58.1Low105 Ų105110.6 Ų110.664%0.64460%0.603SS**THydrogen-bonded Turntrans-94.6-11.1-175.470.40000113.9D81D81-T83 PolarHBondContact O-N 2.92Å; D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.38Å; D81-T83 PolarHBondContact OD1-OG1 2.83Å
84K62.5Low59.6Low125 Ų125115.6 Ų115.654%0.54361%0.611SS.*SBendtrans-92.8133.6179.2-74.4-171.9177.696.70111.5D81 P86D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 3.31Å; K84-P86 WeakPolarHBondContact O-CD 3.35Å
85D66.9Low61.6Low91 Ų91113.5 Ų113.549%0.48760%0.6SS.*  trans-68.9117.3171.9-174.6-15.9000109.4C87 Q88D85-C87 PolarHBondContact O-N 3.15Å; D85-C87 WeakPolarHBondContact OD1-CB 3.13Å; D85-C87 PolarHBondContact OD1-N 3.21Å; D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 3.12Å; D85-Q88 VanDerWaalsContact O-N 3.08Å
86P70.7Confident64Low34 Ų34115.1 Ų115.122%0.22159%0.588CS.*THydrogen-bonded Turntrans-62.6-15.7-179.126-34.6000113.1K84 V90 A100 A106K84-P86 WeakPolarHBondContact O-CD 3.35Å; P86-V90 WeakPolarHBondContact O-CG2 3.03Å; P86-A100 HydrophobicContact CG-CB 3.74Å; P86-A106 HydrophobicContact CB-CB 4.17Å; P86-A106 WeakPolarHBondContact O-CB 2.96Å
87C74.6Confident65.9Low23 Ų23112.9 Ų112.916%0.15557%0.57CS.*THydrogen-bonded Turntrans-83.6-9176.8-77.70000114.7D85 K89 V90 C98 I99D85-C87 PolarHBondContact O-N 3.15Å; D85-C87 WeakPolarHBondContact OD1-CB 3.13Å; D85-C87 PolarHBondContact OD1-N 3.21Å; C87-K89 VanDerWaalsContact C-N 3.26Å; C87-K89 PolarHBondContact O-N 3.14Å; C87-V90 PolarHBondContact O-N 3.43Å; C87-C98 WeakPolarHBondContact CA-SG 3.38Å; C87-C98 HydrophobicContact CB-CB 3.71Å; C87-C98 WeakPolarHBondContact CB-SG 3.36Å; C87-C98 WeakPolarHBondContact SG-CB 3.43Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.27Å; C87-I99 VanDerWaalsContact SG-C 3.56Å; C87-I99 PolarHBondContact SG-N 2.92Å; C87-I99 VanDerWaalsContact SG-N 3.44Å
88Q74.1Confident68.2Low159 Ų159106.5 Ų106.574%0.74354%0.537SS*.THydrogen-bonded Turntrans-68.5-23.9-174.6-142.3174.923.100113.5D85D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 3.12Å; D85-Q88 VanDerWaalsContact O-N 3.08Å
89K67.9Low69.6Low198 Ų198101.8 Ų101.886%0.86151%0.512SS*.THydrogen-bonded Turntrans-108.3-0.6177.3-65.4-175.8-179.8-178.60113.8C87C87-K89 VanDerWaalsContact C-N 3.26Å; C87-K89 PolarHBondContact O-N 3.14Å
90V77.7Confident71.1Confident61 Ų6196.4 Ų96.437%0.3749%0.489SS..  trans-103.6114-172.8178.50000110.9P86 C87 A106P86-V90 WeakPolarHBondContact O-CG2 3.03Å; C87-V90 PolarHBondContact O-N 3.43Å; V90-A106 HydrophobicContact CB-CB 4.21Å; V90-A106 HydrophobicContact CG1-CB 4.38Å; V90-A106 HydrophobicContact CG2-CB 3.74Å
91K72Confident71.8Confident209 Ų209100.1 Ų100.191%0.90950%0.503SS*.  trans-93.1107.7174-69-174.5179.2179.70110.4
92C80.3Confident72.4Confident33 Ų3399.1 Ų99.122%0.22351%0.51CS..  trans-81.8156.1172.7-59.80000111.8K96 C98 C108C92-K96 HydrophobicContact CB-CB 4.02Å; C92-K96 VanDerWaalsContact CB-O 3.28Å; C92-K96 WeakPolarHBondContact CB-O 3.37Å; C92-C98 VanDerWaalsContact SG-CB 3.53Å; C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.57Å; C92-C108 WeakPolarHBondContact SG-CB 3.4Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.12Å
93S80.8Confident72.7Confident82 Ų82102.9 Ų102.957%0.57352%0.516SS*.  trans-60.9159.2177.2-440000112.7H95 K96S93-H95 PolarHBondContact O-N 3.41Å; S93-K96 PolarHBondContact O-N 2.56Å
94R72.9Confident72.8Confident251 Ų251104.4 Ų104.495%0.94752%0.515SS*.THydrogen-bonded Turntrans-51.5-6.1-172-74.8-177.8173.3155.7-2118.2
95H73.8Confident73.2Confident147 Ų147106.4 Ų106.468%0.68152%0.52SS*.THydrogen-bonded Turntrans-131.210.4177.6-60.691.4000113.9S93 N110 R111S93-H95 PolarHBondContact O-N 3.41Å; H95-N110 PolarHBondContact O-OD1 3.09Å; H95-R111 PolarHBondContact O-N 2.85Å
96K82.7Confident73.7Confident104 Ų104103.7 Ų103.745%0.45251%0.509SS..EExtended strand (participates in β ladder)trans-119.8138.1178.8-63.9-178.5-177.2179.20109.3C92 S93 C108 V109C92-K96 HydrophobicContact CB-CB 4.02Å; C92-K96 VanDerWaalsContact CB-O 3.28Å; C92-K96 WeakPolarHBondContact CB-O 3.37Å; S93-K96 PolarHBondContact O-N 2.56Å; K96-C108 HydrophobicContact CB-CB 4.09Å; K96-C108 HydrophobicContact CD-CB 4.17Å; K96-V109 CarbonylContact C-O 3.51Å; K96-V109 VanDerWaalsContact CA-O 3.25Å; K96-V109 WeakPolarHBondContact CA-O 3.49Å
97V81.6Confident74.3Confident64 Ų64104.1 Ų104.139%0.38851%0.511SS..EExtended strand (participates in β ladder)trans-108.5135.7178.2-178.10000108V109 R111V97-V109 PolarHBondContact N-O 2.85Å; V97-V109 PolarHBondContact O-N 2.8Å; V97-R111 HydrophobicContact CG2-CB 4.49Å; V97-R111 HydrophobicContact CG2-CG 4.45Å
98C80.6Confident74.8Confident29 Ų29105.3 Ų105.320%0.19652%0.519CS..EExtended strand (participates in β ladder)trans-75130.4175.2-167.60000109.6C87 C92C87-C98 WeakPolarHBondContact CA-SG 3.38Å; C87-C98 HydrophobicContact CB-CB 3.71Å; C87-C98 WeakPolarHBondContact CB-SG 3.36Å; C87-C98 WeakPolarHBondContact SG-CB 3.43Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.27Å; C92-C98 VanDerWaalsContact SG-CB 3.53Å
99I79.2Confident75.2Confident58 Ų5899.8 Ų99.830%0.29750%0.497SS..EExtended strand (participates in β ladder)trans-128.1130175.1-53.4173.7000107.5C87 Q101 V107 V109 L114C87-I99 VanDerWaalsContact SG-C 3.56Å; C87-I99 PolarHBondContact SG-N 2.92Å; C87-I99 VanDerWaalsContact SG-N 3.44Å; I99-Q101 PolarHBondContact O-N 2.86Å; I99-V107 PolarHBondContact N-O 2.04Å; I99-V107 PolarHBondContact O-N 2.03Å; I99-V109 HydrophobicContact CD1-CB 4.06Å; I99-V109 HydrophobicContact CD1-CG2 4.1Å; I99-L114 HydrophobicContact CD1-CD1 3.37Å; I99-L114 HydrophobicContact CD1-CD2 4.12Å; I99-L114 HydrophobicContact CD1-CG 4.32Å
100A78.9Confident75.7Confident46 Ų4694.1 Ų94.138%0.3848%0.476SS..EExtended strand (participates in β ladder)trans-74120.2174.300000109.7P86P86-A100 HydrophobicContact CG-CB 3.74Å
101Q67.4Low75.3Confident131 Ų13199.6 Ų99.661%0.61249%0.49SS*.  trans-105.678.6173.5-160.2173.88.700108.1I99 R105 V107I99-Q101 PolarHBondContact O-N 2.86Å; Q101-R105 PolarHBondContact N-O 2.73Å; Q101-V107 HydrophobicContact CB-CG2 4.21Å
102G64.1Low75Confident50 Ų5097.9 Ų97.952%0.51548%0.482SS..SBendtrans82.8-174.5-170.700000113.3Q104G102-Q104 VanDerWaalsContact C-N 3.27Å; G102-Q104 PolarHBondContact O-N 3.34Å
103Y61Low74Confident160 Ų160104 Ų10463%0.62751%0.505SS*.THydrogen-bonded Turntrans-74.6-8.1-170.4-57.1-77.7000115.3T82T82-Y103 HydrophobicContact CG2-CG 4.33Å; T82-Y103 WeakPolarHBondContact O-CD1 3.46Å
104Q60.2Low72.9Confident137 Ų137103 Ų10364%0.6449%0.493SS*.THydrogen-bonded Turntrans-128.2-3.4-171-57-158.6-11.500114.7V80 G102V80-Q104 HydrophobicContact CG1-CG 3.76Å; V80-Q104 VanDerWaalsContact CG2-NE2 3.26Å; G102-Q104 VanDerWaalsContact C-N 3.27Å; G102-Q104 PolarHBondContact O-N 3.34Å
105R69Low72.1Confident168 Ų16897 Ų9763%0.63448%0.476SS*.  trans-132.4111.7-166.4-158.6172.1162.4137.4-2.4112.2Q101 V107Q101-R105 PolarHBondContact N-O 2.73Å; R105-V107 HydrophobicContact CG-CG2 4.14Å
106A78.3Confident71.1Confident33 Ų3396.8 Ų96.827%0.27348%0.475SS..EExtended strand (participates in β ladder)trans-89.6125.1169.200000110.1P86 V90P86-A106 HydrophobicContact CB-CB 4.17Å; P86-A106 WeakPolarHBondContact O-CB 2.96Å; V90-A106 HydrophobicContact CB-CB 4.21Å; V90-A106 HydrophobicContact CG1-CB 4.38Å; V90-A106 HydrophobicContact CG2-CB 3.74Å
107V84Confident69.6Low43 Ų43101.9 Ų101.926%0.26149%0.491SS..EExtended strand (participates in β ladder)trans-123.7124.3178.8-174.80000110.2I99 Q101 R105 V109I99-V107 PolarHBondContact N-O 2.04Å; I99-V107 PolarHBondContact O-N 2.03Å; Q101-V107 HydrophobicContact CB-CG2 4.21Å; R105-V107 HydrophobicContact CG-CG2 4.14Å; V107-V109 HydrophobicContact CG1-CG2 4Å; V107-V109 PolarHBondContact O-N 2.82Å
108C84.5Confident68.3Low48 Ų48105.5 Ų105.532%0.32451%0.508SS..EExtended strand (participates in β ladder)trans-83.4106.2175.8-64.20000110.8C92 K96C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.57Å; C92-C108 WeakPolarHBondContact SG-CB 3.4Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.12Å; K96-C108 HydrophobicContact CB-CB 4.09Å; K96-C108 HydrophobicContact CD-CB 4.17Å
109V83.2Confident66.7Low44 Ų44113.1 Ų113.127%0.26754%0.537SS..EExtended strand (participates in β ladder)trans-106.1146-179.7-171.20000110.5K96 V97 I99 V107 K113K96-V109 CarbonylContact C-O 3.51Å; K96-V109 VanDerWaalsContact CA-O 3.25Å; K96-V109 WeakPolarHBondContact CA-O 3.49Å; V97-V109 PolarHBondContact N-O 2.85Å; V97-V109 PolarHBondContact O-N 2.8Å; I99-V109 HydrophobicContact CD1-CB 4.06Å; I99-V109 HydrophobicContact CD1-CG2 4.1Å; V107-V109 HydrophobicContact CG1-CG2 4Å; V107-V109 PolarHBondContact O-N 2.82Å; V109-K113 HydrophobicContact CG1-CB 4.37Å
110N78.5Confident64.7Low79 Ų79117.1 Ų117.142%0.42256%0.555SS.*EExtended strand (participates in β ladder)trans-68.9132.9177.1-167.9-32.3000110.6H95 K112 K113 L114H95-N110 PolarHBondContact O-OD1 3.09Å; N110-K112 PolarHBondContact O-N 2.77Å; N110-K112 VanDerWaalsContact O-N 3.15Å; N110-K112 PolarHBondContact OD1-N 3.42Å; N110-K113 PolarHBondContact O-N 2.96Å; N110-L114 PolarHBondContact O-N 3.21Å
111R68.6Low63Low175 Ų175120.7 Ų120.766%0.6657%0.574SS**Hα-helixtrans-52.1-39-177.2-161.9173.6-165.7-178.73.9112.8H95 V97 K113 L114H95-R111 PolarHBondContact O-N 2.85Å; V97-R111 HydrophobicContact CG2-CB 4.49Å; V97-R111 HydrophobicContact CG2-CG 4.45Å; R111-K113 VanDerWaalsContact C-N 3.3Å; R111-K113 PolarHBondContact O-N 3.11Å; R111-L114 WeakPolarHBondContact O-CB 3.25Å; R111-L114 PolarHBondContact O-N 3.21Å
112K64.7Low62Low174 Ų174118.9 Ų118.976%0.75758%0.581SS**Hα-helixtrans-67-23.4179.1-64.8-171.2177.2-174.90114.4N110N110-K112 PolarHBondContact O-N 2.77Å; N110-K112 VanDerWaalsContact O-N 3.15Å; N110-K112 PolarHBondContact OD1-N 3.42Å
113K59.8Low60.6Low161 Ų161124.8 Ų124.870%0.760%0.6SS**Hα-helixtrans-87.5-18.6179.3-157.9173-175.3178.60112.2V109 N110 R111V109-K113 HydrophobicContact CG1-CB 4.37Å; N110-K113 PolarHBondContact O-N 2.96Å; R111-K113 VanDerWaalsContact C-N 3.3Å; R111-K113 PolarHBondContact O-N 3.11Å
114L57.8Low59.4Low61 Ų61127.9 Ų127.932%0.31961%0.611SS.*Hα-helixtrans-75.5-41.8177.6-168.165000111.6I99 N110 R111 H116 R117 L118I99-L114 HydrophobicContact CD1-CD1 3.37Å; I99-L114 HydrophobicContact CD1-CD2 4.12Å; I99-L114 HydrophobicContact CD1-CG 4.32Å; N110-L114 PolarHBondContact O-N 3.21Å; R111-L114 WeakPolarHBondContact O-CB 3.25Å; R111-L114 PolarHBondContact O-N 3.21Å; L114-H116 PolarHBondContact O-N 3.09Å; L114-R117 PolarHBondContact O-N 3.41Å; L114-L118 HydrophobicContact CG-CD1 4.16Å; L114-L118 PolarHBondContact O-N 3.44Å
115E56.8Low58.4Low124 Ų124126.7 Ų126.758%0.57962%0.617SS**THydrogen-bonded Turntrans-61.1-30.7179.9-68.9171.7176.600112.7
116H52.6Low57.4Low143 Ų143123.8 Ų123.866%0.66262%0.621SS**THydrogen-bonded Turntrans-79.8-17.2177.2-155.4-80000113.6L114L114-H116 PolarHBondContact O-N 3.09Å
117R51.2Low55.5Low212 Ų212130 Ų13080%0.865%0.649SS**THydrogen-bonded Turntrans-87.5-25.2174-93.3-157.7154.2-163.5-6.9113.6L114 K119L114-R117 PolarHBondContact O-N 3.41Å; R117-K119 VanDerWaalsContact C-N 3.29Å
118L53.8Low53.9Low140 Ų140131 Ų13173%0.73367%0.668SS**THydrogen-bonded Turntrans-76.7-12173.8-87.8130.7000113.7L114L114-L118 HydrophobicContact CG-CD1 4.16Å; L114-L118 PolarHBondContact O-N 3.44Å
119K46.5Very low53Low188 Ų188136.9 Ų136.982%0.81770%0.696SS**THydrogen-bonded Turntrans-96.33-179.2-95.9-176177.1-177.50115.5R117R117-K119 VanDerWaalsContact C-N 3.29Å
120Q38.7Very low52Low142 Ų142136.4 Ų136.466%0.66469%0.694SS**SBendtrans-94.1138.7172.6-78.3-174.2-3.200111.2
121P43Very low51.7Low122 Ų122140.9 Ų140.979%0.79271%0.713SS**  trans-66.2141.4176.8-6.822.5000109.8L123P121-L123 PolarHBondContact O-N 2.61Å
122A45.2Very low51.8Low92 Ų92137.6 Ų137.676%0.7671%0.714SS**  trans-42.8119.6177.400000112.7R124A122-R124 PolarHBondContact O-N 2.92Å
123L35.7Very low52.2Low175 Ų175130.9 Ų130.992%0.91669%0.688SS**  trans-62.6115.5160.5-95.4152.1000107.9P121P121-L123 PolarHBondContact O-N 2.61Å
124R35.8Very low52.6Low225 Ų225128 Ų12885%0.84969%0.686SS**  trans-71.1137.2177-80.4-178.5168.8-176.7-3.7111.8A122A122-R124 PolarHBondContact O-N 2.92Å
125S38.5Very low52.6Low111 Ų111133.4 Ų133.478%0.77671%0.714SS**  trans80.4156.8143.6-540000119.5
126P47.6Very low52.7Low108 Ų108133 Ų13370%0.70173%0.725SS**  cis-128.5160.94.134.7-15.1000116.1
127D40.1Very low52.9Low164 Ų164129.5 Ų129.588%0.87772%0.716SS**SBendtrans76.7102.9160.6-58.5-36000120.6
128G49.7Very low53.5Low63 Ų63124.3 Ų124.365%0.64971%0.708SS**  trans13194.116100000114.2C130G128-C130 PolarHBondContact O-N 3.21Å
129N64.7Low54.6Low172 Ų172119.9 Ų119.992%0.9270%0.696SS**  trans-72.563.1-161.8-142.234000115.9
130C62.7Low56.3Low33 Ų33114 Ų11422%0.22368%0.677CS.*  trans-103.7111.7-176.2-44.50000112.4G128 C160 L161G128-C130 PolarHBondContact O-N 3.21Å; C130-C160 WeakPolarHBondContact CA-SG 3.44Å; C130-C160 HydrophobicContact CB-CB 3.83Å; C130-C160 WeakPolarHBondContact CB-SG 3.4Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 2.86Å; C130-L161 HydrophobicContact CB-CD2 4.32Å
131Q72.5Confident58.6Low174 Ų174107.7 Ų107.781%0.81365%0.648SS**PPolyproline II helixtrans-69.6140.5176.8-80.1-167.8-8900112.1
132P69.6Low60.7Low105 Ų105102 Ų10268%0.68261%0.611SS**PPolyproline II helixtrans-71.3136.6170.927-30.7000111.6
133C73.1Confident62.6Low33 Ų3397.6 Ų97.622%0.22358%0.575CS.*PPolyproline II helixtrans-73137.2-178.7-640000112.8C153C133-C153 VanDerWaalsContact CA-SG 3.56Å; C133-C153 HydrophobicContact CB-CB 3.85Å; C133-C153 WeakPolarHBondContact CB-SG 3.46Å; C133-C153 WeakPolarHBondContact SG-CB 3.09Å; C133-C153 PolarHBondContact SG-O 2.93Å; C133-C153 CovalentContact SG-SG 2.03Å; C133-C153 PolarHBondContact SG-SG 3.34Å
134P70.2Confident64.8Low100 Ų10091.7 Ų91.765%0.64955%0.548SS*.PPolyproline II helixtrans-67.8157.1169.628-32.2000111.6S136P134-S136 PolarHBondContact O-N 3.24Å; P134-S136 VanDerWaalsContact O-N 3.09Å
135I57.7Low66.9Low176 Ų17683.7 Ų83.790%0.90352%0.523SS*.SBendtrans-67-10.7-171.8-60.4165.5000113.3S137I135-S137 PolarHBondContact O-N 3.11Å; I135-S137 VanDerWaalsContact O-N 3.15Å
136S57.7Low68.9Low116 Ų11680.5 Ų80.581%0.81151%0.507SS*.  trans-82.994175.5-166.20000110.2P134P134-S136 PolarHBondContact O-N 3.24Å; P134-S136 VanDerWaalsContact O-N 3.09Å
137S57Low70.4Confident69 Ų6980.2 Ų80.248%0.48350%0.496SS..  trans-108.7109-173.374.30000110.4I135I135-S137 PolarHBondContact O-N 3.11Å; I135-S137 VanDerWaalsContact O-N 3.15Å
138T64.8Low72.5Confident103 Ų10377.4 Ų77.463%0.63248%0.481SS*.  trans-51.6141.5163.647.40000109.1S151T138-S151 WeakPolarHBondContact O-CA 3.44Å; T138-S151 WeakPolarHBondContact O-CB 3.42Å
139G75.4Confident74.2Confident47 Ų4775.8 Ų75.849%0.48546%0.456SS..  trans-52.8177.8-163.500000117.5V141G139-V141 WeakPolarHBondContact O-CG1 3.39Å
140P82.6Confident75Confident64 Ų6470.3 Ų70.342%0.41643%0.434SS..  trans-59.6142.4-171.225.9-34.8000111.9Y149 G172P140-Y149 CarbonylContact C-O 3.57Å; P140-Y149 WeakPolarHBondContact CA-O 3.07Å; P140-G172 VanDerWaalsContact O-CA 3.32Å; P140-G172 WeakPolarHBondContact O-CA 3.5Å; P140-G172 PolarHBondContact O-N 3.2Å
141V86.8Confident76Confident9 Ų968.9 Ų68.96%0.05542%0.424CS..EExtended strand (participates in β ladder)trans-130.1150.6-179.4-56.90000111G139 Y149 L155 L168 G172G139-V141 WeakPolarHBondContact O-CG1 3.39Å; V141-Y149 PolarHBondContact N-O 2.01Å; V141-Y149 PolarHBondContact O-N 3.08Å; V141-L155 HydrophobicContact CG2-CB 4.3Å; V141-L155 HydrophobicContact CG2-CD1 3.88Å; V141-L168 HydrophobicContact CB-CD1 3.79Å; V141-L168 HydrophobicContact CB-CG 4.16Å; V141-L168 HydrophobicContact CG1-CD1 3.62Å; V141-L168 HydrophobicContact CG1-CG 4.47Å; V141-L168 HydrophobicContact CG2-CD1 4.27Å; V141-G172 CarbonylContact C-O 3.47Å; V141-G172 VanDerWaalsContact CA-O 3.32Å; V141-G172 WeakPolarHBondContact CA-O 3.45Å
142C87.6Confident76.5Confident2 Ų265.5 Ų65.51%0.01441%0.407CS..EExtended strand (participates in β ladder)trans-98.2129.3175.7179.90000109.9K169 C170 G172 C174 C176C142-K169 PolarHBondContact O-N 2.69Å; C142-C170 WeakPolarHBondContact CB-SG 3.28Å; C142-C170 PolarHBondContact N-O 3.2Å; C142-C170 PolarHBondContact O-N 2.94Å; C142-G172 PolarHBondContact N-O 3.06Å; C142-G172 VanDerWaalsContact N-O 3.09Å; C142-C174 WeakPolarHBondContact CA-SG 3.32Å; C142-C174 HydrophobicContact CB-CB 4.12Å; C142-C174 WeakPolarHBondContact CB-SG 3.4Å; C142-C174 VanDerWaalsContact SG-CA 3.56Å; C142-C174 WeakPolarHBondContact SG-CB 3.01Å; C142-C174 CovalentContact SG-SG 2.01Å; C142-C174 PolarHBondContact SG-SG 3.28Å; C142-C176 PolarHBondContact SG-SG 3.46Å
143G84.1Confident77.2Confident0 Ų062.7 Ų62.70%039%0.389CS..EExtended strand (participates in β ladder)trans-83.1162.1174.900000113.5D145 G146 H147 T167G143-D145 VanDerWaalsContact C-OD1 3.31Å; G143-D145 WeakPolarHBondContact CA-OD1 3.47Å; G143-D145 PolarHBondContact O-N 3.32Å; G143-G146 PolarHBondContact O-N 3.48Å; G143-H147 PolarHBondContact N-O 3.27Å; G143-T167 CarbonylContact C-O 3.51Å; G143-T167 WeakPolarHBondContact CA-O 3.38Å
144S82.6Confident77.7Confident51 Ų5166.4 Ų66.436%0.35740%0.401SS..THydrogen-bonded Turntrans-59.5-23.2173.3540000113.2G146 T167S144-G146 PolarHBondContact O-N 3.49Å; S144-T167 WeakPolarHBondContact CB-OG1 3.1Å; S144-T167 PolarHBondContact N-O 2.92Å; S144-T167 PolarHBondContact OG-N 2.81Å; S144-T167 VanDerWaalsContact OG-N 3.12Å
145D81Confident78.5Confident58 Ų5861.8 Ų61.831%0.3137%0.371SS..THydrogen-bonded Turntrans-77.6-0173.163.3-12.8000113.9G143 H147 Y149 L166G143-D145 VanDerWaalsContact C-OD1 3.31Å; G143-D145 WeakPolarHBondContact CA-OD1 3.47Å; G143-D145 PolarHBondContact O-N 3.32Å; D145-H147 VanDerWaalsContact C-N 3.25Å; D145-H147 PolarHBondContact O-N 2.78Å; D145-H147 PolarHBondContact O-ND1 2.99Å; D145-H147 PolarHBondContact OD1-N 2.03Å; D145-H147 VanDerWaalsContact OD1-N 3.09Å; D145-H147 IonicContact OD1-ND1 3.43Å; D145-H147 IonicContact OD2-CG 3.12Å; D145-H147 IonicContact OD2-ND1 2.79Å; D145-H147 PolarHBondContact OD2-ND1 2.83Å; D145-Y149 PolarHBondContact OD2-OH 2.72Å; D145-L166 HydrophobicContact CB-CD2 3.73Å
146G78.8Confident79.7Confident43 Ų4358.2 Ų58.244%0.44335%0.351SS..SBendtrans74.612.2-178.100000114.2G143 S144 C174G143-G146 PolarHBondContact O-N 3.48Å; S144-G146 PolarHBondContact O-N 3.49Å; G146-C174 VanDerWaalsContact O-CB 3.28Å; G146-C174 WeakPolarHBondContact O-CB 3.2Å; G146-C174 PolarHBondContact O-SG 3.28Å
147H80.3Confident80.9Confident103 Ų10355.4 Ų55.448%0.47733%0.325SS..  trans-100.4147.3178.2-66.274.3000111.7G143 D145 Y149 C174G143-H147 PolarHBondContact N-O 3.27Å; D145-H147 VanDerWaalsContact C-N 3.25Å; D145-H147 PolarHBondContact O-N 2.78Å; D145-H147 PolarHBondContact O-ND1 2.99Å; D145-H147 PolarHBondContact OD1-N 2.03Å; D145-H147 VanDerWaalsContact OD1-N 3.09Å; D145-H147 IonicContact OD1-ND1 3.43Å; D145-H147 IonicContact OD2-CG 3.12Å; D145-H147 IonicContact OD2-ND1 2.79Å; D145-H147 PolarHBondContact OD2-ND1 2.83Å; H147-Y149 HydrophobicContact CB-CE2 4.01Å; H147-Y149 VanDerWaalsContact O-CD2 3.29Å; H147-Y149 WeakPolarHBondContact O-CD2 3.04Å; H147-Y149 WeakPolarHBondContact O-CE2 3.28Å; H147-C174 PolarHBondContact O-SG 3.35Å
148N84.1Confident82.2Confident104 Ų10455.5 Ų55.556%0.55632%0.318SS*.EExtended strand (participates in β ladder)trans-85.2139.617568.181.6000110.9L173N148-L173 HydrophobicContact CB-CD2 4.03Å
149Y84.8Confident83.1Confident30 Ų3051.5 Ų51.512%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-123.9136.4178.7-66.7-88.9000108.9P140 V141 D145 H147 S151 L155 Q158 L166P140-Y149 CarbonylContact C-O 3.57Å; P140-Y149 WeakPolarHBondContact CA-O 3.07Å; V141-Y149 PolarHBondContact N-O 2.01Å; V141-Y149 PolarHBondContact O-N 3.08Å; D145-Y149 PolarHBondContact OD2-OH 2.72Å; H147-Y149 HydrophobicContact CB-CE2 4.01Å; H147-Y149 VanDerWaalsContact O-CD2 3.29Å; H147-Y149 WeakPolarHBondContact O-CD2 3.04Å; H147-Y149 WeakPolarHBondContact O-CE2 3.28Å; Y149-S151 PolarHBondContact O-N 3.25Å; Y149-S151 VanDerWaalsContact O-N 3.11Å; Y149-L155 HydrophobicContact CD1-CB 3.98Å; Y149-L155 HydrophobicContact CD1-CG 4.45Å; Y149-L155 HydrophobicContact CD2-CB 4.06Å; Y149-L155 HydrophobicContact CD2-CD1 3.7Å; Y149-L155 HydrophobicContact CD2-CG 3.88Å; Y149-L155 HydrophobicContact CE2-CD1 4.17Å; Y149-L155 HydrophobicContact CE2-CG 4.13Å; Y149-L155 HydrophobicContact CG-CB 3.7Å; Y149-L155 HydrophobicContact CG-CD1 4.19Å; Y149-L155 HydrophobicContact CG-CG 4.06Å; Y149-Q158 HydrophobicContact CE1-CB 3.84Å; Y149-Q158 HydrophobicContact CE1-CG 3.95Å; Y149-L166 WeakPolarHBondContact OH-CD1 3.33Å
150A81.4Confident83.6Confident56 Ų5652.1 Ų52.146%0.46329%0.291SS..SBendtrans-63.4-21.1-176.700000113.4K154A150-K154 HydrophobicContact CB-CD 4.2Å
151S83.5Confident83.6Confident3 Ų354.5 Ų54.52%0.02130%0.3CS..SBendtrans-162.2164.6170.666.40000112T138 Y149 C153 K154 L155T138-S151 WeakPolarHBondContact O-CA 3.44Å; T138-S151 WeakPolarHBondContact O-CB 3.42Å; Y149-S151 PolarHBondContact O-N 3.25Å; Y149-S151 VanDerWaalsContact O-N 3.11Å; S151-C153 VanDerWaalsContact C-N 3.25Å; S151-C153 PolarHBondContact O-N 3.38Å; S151-K154 PolarHBondContact O-N 2.73Å; S151-K154 VanDerWaalsContact O-N 3.12Å; S151-K154 PolarHBondContact OG-N 2.72Å; S151-L155 PolarHBondContact O-N 2.87Å; S151-L155 VanDerWaalsContact O-N 3.14Å
152K83.6Confident83.1Confident104 Ų10457 Ų5745%0.45232%0.315SS..Hα-helixtrans-54.3-41.4174-174.6178.5175.2-174.90112.6K154 L155 E156 L168K152-K154 VanDerWaalsContact C-N 3.35Å; K152-K154 PolarHBondContact O-N 3.02Å; K152-L155 WeakPolarHBondContact O-CB 3.12Å; K152-L155 PolarHBondContact O-N 2.77Å; K152-E156 WeakPolarHBondContact CE-OE1 3.49Å; K152-E156 PolarHBondContact O-N 3.25Å; K152-E156 VanDerWaalsContact O-N 3.07Å; K152-L168 HydrophobicContact CB-CD1 4.41Å; K152-L168 HydrophobicContact CD-CD1 4.31Å; K152-L168 HydrophobicContact CG-CD1 4.2Å
153C85.2Confident82.5Confident46 Ų4660.3 Ų60.331%0.31135%0.35SS..Hα-helixtrans-64.1-39179.2-1720000112.1C133 S151 L155 E156 Q157C133-C153 VanDerWaalsContact CA-SG 3.56Å; C133-C153 HydrophobicContact CB-CB 3.85Å; C133-C153 WeakPolarHBondContact CB-SG 3.46Å; C133-C153 WeakPolarHBondContact SG-CB 3.09Å; C133-C153 PolarHBondContact SG-O 2.93Å; C133-C153 CovalentContact SG-SG 2.03Å; C133-C153 PolarHBondContact SG-SG 3.34Å; S151-C153 VanDerWaalsContact C-N 3.25Å; S151-C153 PolarHBondContact O-N 3.38Å; C153-L155 VanDerWaalsContact C-N 3.33Å; C153-L155 PolarHBondContact O-N 2.83Å; C153-E156 PolarHBondContact O-N 2.86Å; C153-Q157 WeakPolarHBondContact O-CB 3.33Å; C153-Q157 PolarHBondContact O-N 3.28Å
154K83.6Confident82.1Confident110 Ų11067.2 Ų67.248%0.47838%0.38SS..Hα-helixtrans-68.5-32.2176.3-75.3-161.5-177.3-179.60113A150 S151 K152 Q158A150-K154 HydrophobicContact CB-CD 4.2Å; S151-K154 PolarHBondContact O-N 2.73Å; S151-K154 VanDerWaalsContact O-N 3.12Å; S151-K154 PolarHBondContact OG-N 2.72Å; K152-K154 VanDerWaalsContact C-N 3.35Å; K152-K154 PolarHBondContact O-N 3.02Å; K154-Q158 WeakPolarHBondContact O-CB 3.34Å; K154-Q158 PolarHBondContact O-N 2.8Å
155L85.5Confident81.8Confident3 Ų369.5 Ų69.52%0.01640%0.402CS..Hα-helixtrans-63.4-48.5172.9-176.7160.5000110.6V141 Y149 S151 K152 C153 Q157 Q158 A159 L166 L168V141-L155 HydrophobicContact CG2-CB 4.3Å; V141-L155 HydrophobicContact CG2-CD1 3.88Å; Y149-L155 HydrophobicContact CD1-CB 3.98Å; Y149-L155 HydrophobicContact CD1-CG 4.45Å; Y149-L155 HydrophobicContact CD2-CB 4.06Å; Y149-L155 HydrophobicContact CD2-CD1 3.7Å; Y149-L155 HydrophobicContact CD2-CG 3.88Å; Y149-L155 HydrophobicContact CE2-CD1 4.17Å; Y149-L155 HydrophobicContact CE2-CG 4.13Å; Y149-L155 HydrophobicContact CG-CB 3.7Å; Y149-L155 HydrophobicContact CG-CD1 4.19Å; Y149-L155 HydrophobicContact CG-CG 4.06Å; S151-L155 PolarHBondContact O-N 2.87Å; S151-L155 VanDerWaalsContact O-N 3.14Å; K152-L155 WeakPolarHBondContact O-CB 3.12Å; K152-L155 PolarHBondContact O-N 2.77Å; C153-L155 VanDerWaalsContact C-N 3.33Å; C153-L155 PolarHBondContact O-N 2.83Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 3.15Å; L155-Q158 PolarHBondContact O-N 2.68Å; L155-A159 PolarHBondContact O-N 3.37Å; L155-L166 HydrophobicContact CD2-CB 3.94Å; L155-L166 WeakPolarHBondContact CD2-O 3Å; L155-L166 HydrophobicContact CG-CB 4.46Å; L155-L168 HydrophobicContact CD1-CB 4.46Å
156E83.1Confident81.7Confident101 Ų10167.8 Ų67.847%0.47239%0.393SS..Hα-helixtrans-64.3-38.3178.2-70.1170.5-17900112.1K152 C153 A159 C160K152-E156 WeakPolarHBondContact CE-OE1 3.49Å; K152-E156 PolarHBondContact O-N 3.25Å; K152-E156 VanDerWaalsContact O-N 3.07Å; C153-E156 PolarHBondContact O-N 2.86Å; E156-A159 WeakPolarHBondContact O-CB 3.29Å; E156-A159 PolarHBondContact O-N 3.29Å; E156-C160 WeakPolarHBondContact O-CB 3.42Å; E156-C160 PolarHBondContact O-N 2.9Å
157Q83.7Confident81.8Confident57 Ų5770 Ų7027%0.26640%0.397SS..Hα-helixtrans-62-44.3173.8-173.9178.34800111.4C153 L155 A159 C160 L161C153-Q157 WeakPolarHBondContact O-CB 3.33Å; C153-Q157 PolarHBondContact O-N 3.28Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 3.15Å; Q157-A159 VanDerWaalsContact C-N 3.32Å; Q157-A159 PolarHBondContact O-N 3.13Å; Q157-C160 PolarHBondContact O-N 2.85Å; Q157-L161 HydrophobicContact CG-CD1 4.11Å; Q157-L161 HydrophobicContact CG-CG 4.48Å; Q157-L161 WeakPolarHBondContact O-CB 3.39Å; Q157-L161 VanDerWaalsContact O-CG 3.3Å; Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 2.93Å
158Q83.1Confident81.8Confident72 Ų7268.7 Ų68.734%0.33639%0.393SS..Hα-helixtrans-65.2-37.2176.1-170.171.2-200111.6Y149 K154 L155 C160 L161 T162 L166Y149-Q158 HydrophobicContact CE1-CB 3.84Å; Y149-Q158 HydrophobicContact CE1-CG 3.95Å; K154-Q158 WeakPolarHBondContact O-CB 3.34Å; K154-Q158 PolarHBondContact O-N 2.8Å; L155-Q158 PolarHBondContact O-N 2.68Å; Q158-C160 VanDerWaalsContact C-N 3.32Å; Q158-C160 PolarHBondContact O-N 2.72Å; Q158-L161 PolarHBondContact O-N 2.95Å; Q158-T162 HydrophobicContact CG-CG2 4.21Å; Q158-T162 WeakPolarHBondContact O-CB 3.32Å; Q158-T162 WeakPolarHBondContact O-CG2 3.39Å; Q158-T162 PolarHBondContact O-N 3.47Å; Q158-T162 PolarHBondContact O-OG1 3.04Å; Q158-L166 HydrophobicContact CB-CD1 4.11Å; Q158-L166 HydrophobicContact CG-CD1 3.95Å
159A85Confident81.5Confident18 Ų1870.3 Ų70.315%0.14940%0.395CS..Hα-helixtrans-59.8-45.9175.300000110.8L155 E156 Q157 G163 K164 L166L155-A159 PolarHBondContact O-N 3.37Å; E156-A159 WeakPolarHBondContact O-CB 3.29Å; E156-A159 PolarHBondContact O-N 3.29Å; Q157-A159 VanDerWaalsContact C-N 3.32Å; Q157-A159 PolarHBondContact O-N 3.13Å; A159-G163 WeakPolarHBondContact O-CA 3.02Å; A159-G163 PolarHBondContact O-N 3.26Å; A159-K164 WeakPolarHBondContact CA-O 3.32Å; A159-K164 WeakPolarHBondContact CB-O 3.49Å; A159-K164 PolarHBondContact O-N 2.94Å; A159-L166 HydrophobicContact CB-CB 3.83Å; A159-L166 HydrophobicContact CB-CD1 4.24Å; A159-L166 HydrophobicContact CB-CG 4.24Å
160C85.4Confident81.3Confident61 Ų6170.1 Ų70.141%0.41240%0.398SS..Hα-helixtrans-67.2-43.1179.3-177.10000112.3C130 E156 Q157 Q158C130-C160 WeakPolarHBondContact CA-SG 3.44Å; C130-C160 HydrophobicContact CB-CB 3.83Å; C130-C160 WeakPolarHBondContact CB-SG 3.4Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 2.86Å; E156-C160 WeakPolarHBondContact O-CB 3.42Å; E156-C160 PolarHBondContact O-N 2.9Å; Q157-C160 PolarHBondContact O-N 2.85Å; Q158-C160 VanDerWaalsContact C-N 3.32Å; Q158-C160 PolarHBondContact O-N 2.72Å
161L82.4Confident81.2Confident113 Ų11372.6 Ų72.659%0.59241%0.412SS*.Hα-helixtrans-70.4-35.3179.9-71.5174.7000113.3C130 Q157 Q158C130-L161 HydrophobicContact CB-CD2 4.32Å; Q157-L161 HydrophobicContact CG-CD1 4.11Å; Q157-L161 HydrophobicContact CG-CG 4.48Å; Q157-L161 WeakPolarHBondContact O-CB 3.39Å; Q157-L161 VanDerWaalsContact O-CG 3.3Å; Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 2.93Å; Q158-L161 PolarHBondContact O-N 2.95Å
162T76.8Confident80.9Confident61 Ų6173.6 Ų73.637%0.37442%0.423SS..Hα-helixtrans-92.3-7.3-177.861.20000113.1Q158 K164Q158-T162 HydrophobicContact CG-CG2 4.21Å; Q158-T162 WeakPolarHBondContact O-CB 3.32Å; Q158-T162 WeakPolarHBondContact O-CG2 3.39Å; Q158-T162 PolarHBondContact O-N 3.47Å; Q158-T162 PolarHBondContact O-OG1 3.04Å; T162-K164 PolarHBondContact O-N 3.4Å
163G74.3Confident80.6Confident72 Ų7274.3 Ų74.374%0.74243%0.431SS*.THydrogen-bonded Turntrans6315.4-175.200000113.8A159A159-G163 WeakPolarHBondContact O-CA 3.02Å; A159-G163 PolarHBondContact O-N 3.26Å
164K75.3Confident80.3Confident146 Ų14673.7 Ų73.764%0.63543%0.427SS*.  trans-100.3139.6-178.7-67.6-179.5-178.8-179.50110A159 T162 L166A159-K164 WeakPolarHBondContact CA-O 3.32Å; A159-K164 WeakPolarHBondContact CB-O 3.49Å; A159-K164 PolarHBondContact O-N 2.94Å; T162-K164 PolarHBondContact O-N 3.4Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 HydrophobicContact CB-CG 4.49Å; K164-L166 PolarHBondContact O-N 3.37Å
165A76.6Confident79.7Confident98 Ų9874.2 Ų74.281%0.8144%0.442SS*.  trans-72.881.917500000110.9
166L79.3Confident79Confident23 Ų2375.2 Ų75.212%0.1245%0.449CS..  trans-87.3121.6172.8-60.4172000109.2D145 Y149 L155 Q158 A159 K164D145-L166 HydrophobicContact CB-CD2 3.73Å; Y149-L166 WeakPolarHBondContact OH-CD1 3.33Å; L155-L166 HydrophobicContact CD2-CB 3.94Å; L155-L166 WeakPolarHBondContact CD2-O 3Å; L155-L166 HydrophobicContact CG-CB 4.46Å; Q158-L166 HydrophobicContact CB-CD1 4.11Å; Q158-L166 HydrophobicContact CG-CD1 3.95Å; A159-L166 HydrophobicContact CB-CB 3.83Å; A159-L166 HydrophobicContact CB-CD1 4.24Å; A159-L166 HydrophobicContact CB-CG 4.24Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 HydrophobicContact CB-CG 4.49Å; K164-L166 PolarHBondContact O-N 3.37Å
167T80.2Confident78.3Confident88 Ų8876.2 Ų76.254%0.5446%0.464SS..  trans-115.2152.4176.456.50000109.8G143 S144 K169G143-T167 CarbonylContact C-O 3.51Å; G143-T167 WeakPolarHBondContact CA-O 3.38Å; S144-T167 WeakPolarHBondContact CB-OG1 3.1Å; S144-T167 PolarHBondContact N-O 2.92Å; S144-T167 PolarHBondContact OG-N 2.81Å; S144-T167 VanDerWaalsContact OG-N 3.12Å; T167-K169 PolarHBondContact O-N 3.09Å
168L81.3Confident76.8Confident76 Ų7679.8 Ų79.840%0.39849%0.49SS..EExtended strand (participates in β ladder)trans-72119.7175.8-174.4154.4000109V141 K152 L155V141-L168 HydrophobicContact CB-CD1 3.79Å; V141-L168 HydrophobicContact CB-CG 4.16Å; V141-L168 HydrophobicContact CG1-CD1 3.62Å; V141-L168 HydrophobicContact CG1-CG 4.47Å; V141-L168 HydrophobicContact CG2-CD1 4.27Å; K152-L168 HydrophobicContact CB-CD1 4.41Å; K152-L168 HydrophobicContact CD-CD1 4.31Å; K152-L168 HydrophobicContact CG-CD1 4.2Å; L155-L168 HydrophobicContact CD1-CB 4.46Å
169K78.2Confident75.1Confident138 Ų13881.4 Ų81.460%0.652%0.515SS*.EExtended strand (participates in β ladder)trans-90.6-40.2179.5-165.3175.2-176.8172.30112.2C142 T167C142-K169 PolarHBondContact O-N 2.69Å; T167-K169 PolarHBondContact O-N 3.09Å
170C79.9Confident73Confident26 Ų2684.2 Ų84.218%0.17654%0.539CS..EExtended strand (participates in β ladder)trans-156156.3170.456.80000111.5C142 C176C142-C170 WeakPolarHBondContact CB-SG 3.28Å; C142-C170 PolarHBondContact N-O 3.2Å; C142-C170 PolarHBondContact O-N 2.94Å; C170-C176 HydrophobicContact CB-CB 3.76Å; C170-C176 WeakPolarHBondContact CB-SG 2.97Å; C170-C176 PolarHBondContact N-SG 3.23Å; C170-C176 WeakPolarHBondContact SG-CA 3.43Å; C170-C176 WeakPolarHBondContact SG-CB 3.19Å; C170-C176 CovalentContact SG-SG 2.03Å; C170-C176 PolarHBondContact SG-SG 2.74Å
171S79.3Confident70.9Confident108 Ų10887.1 Ų87.176%0.75556%0.557SS**EExtended strand (participates in β ladder)trans-78.5119.3166.548.60000109.1
172G76.7Confident69.1Low24 Ų2487 Ų8725%0.24757%0.573CS.*SBendtrans127-170.7-172.700000113.2P140 V141 C142P140-G172 VanDerWaalsContact O-CA 3.32Å; P140-G172 WeakPolarHBondContact O-CA 3.5Å; P140-G172 PolarHBondContact O-N 3.2Å; V141-G172 CarbonylContact C-O 3.47Å; V141-G172 VanDerWaalsContact CA-O 3.32Å; V141-G172 WeakPolarHBondContact CA-O 3.45Å; C142-G172 PolarHBondContact N-O 3.06Å; C142-G172 VanDerWaalsContact N-O 3.09Å
173L78.1Confident67.4Low120 Ų12088.9 Ų88.963%0.62859%0.588SS**SBendtrans-85143.9177.5-66.7146.7000109.9N148N148-L173 HydrophobicContact CB-CD2 4.03Å
174C78.9Confident65.6Low32 Ų3295.9 Ų95.922%0.21659%0.592CS.*SBendtrans-71.8149.8170.8-53.20000110.7C142 G146 H147C142-C174 WeakPolarHBondContact CA-SG 3.32Å; C142-C174 HydrophobicContact CB-CB 4.12Å; C142-C174 WeakPolarHBondContact CB-SG 3.4Å; C142-C174 VanDerWaalsContact SG-CA 3.56Å; C142-C174 WeakPolarHBondContact SG-CB 3.01Å; C142-C174 CovalentContact SG-SG 2.01Å; C142-C174 PolarHBondContact SG-SG 3.28Å; G146-C174 VanDerWaalsContact O-CB 3.28Å; G146-C174 WeakPolarHBondContact O-CB 3.2Å; G146-C174 PolarHBondContact O-SG 3.28Å; H147-C174 PolarHBondContact O-SG 3.35Å
175P71.2Confident63.8Low122 Ų12297.4 Ų97.479%0.79260%0.601SS**SBendcis-77.6139.73.228.8-32.7000113.6
176C69.8Low62.5Low24 Ų2497 Ų9716%0.16261%0.607CS.*PPolyproline II helixtrans-62.9135.3173.2-600000109.7C142 C170 T178C142-C176 PolarHBondContact SG-SG 3.46Å; C170-C176 HydrophobicContact CB-CB 3.76Å; C170-C176 WeakPolarHBondContact CB-SG 2.97Å; C170-C176 PolarHBondContact N-SG 3.23Å; C170-C176 WeakPolarHBondContact SG-CA 3.43Å; C170-C176 WeakPolarHBondContact SG-CB 3.19Å; C170-C176 CovalentContact SG-SG 2.03Å; C170-C176 PolarHBondContact SG-SG 2.74Å; C176-T178 PolarHBondContact O-N 3.44Å
177P69.1Low60.4Low121 Ų121103.7 Ų103.779%0.78664%0.635SS**  trans-56.6112.7170.322.7-29.9000107.2A179P177-A179 PolarHBondContact O-N 3.3Å
178T52.7Low59Low132 Ų132108.2 Ų108.281%0.8165%0.65SS**  trans-55.3135.8174.426.50000108.2C176 A180C176-T178 PolarHBondContact O-N 3.44Å; T178-A180 PolarHBondContact O-N 2.99Å
179A47.6Very low57.7Low106 Ų106112.1 Ų112.188%0.87667%0.666SS**  trans-55.491.9169.700000109.1P177P177-A179 PolarHBondContact O-N 3.3Å
180A41Very low57.1Low78 Ų78110.1 Ų110.165%0.64567%0.669SS**  trans-62.2146.8155.200000107.2T178 A182T178-A180 PolarHBondContact O-N 2.99Å; A180-A182 PolarHBondContact O-N 3.25Å
181P40.8Very low56.8Low121 Ų121110.1 Ų110.179%0.78667%0.669SS**  trans-53.6136.7-177.323-32.6000110.2S183P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.19Å
182A44.6Very low56.9Low112 Ų112108.6 Ų108.693%0.92666%0.655SS**SBendtrans-6093.2177.300000111.1A180A180-A182 PolarHBondContact O-N 3.25Å
183S40.5Very low56.7Low100 Ų100109.4 Ų109.470%0.69966%0.664SS**  trans-169.4112144.163.50000104.6P181P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.19Å
184R36.7Very low56.3Low218 Ų218106.5 Ų106.582%0.82365%0.647SS**  cis-145.7150.841.5-69.5172.2172.4172.4-3.7110
185E36.9Very low56.2Low179 Ų179108.3 Ų108.384%0.83666%0.655SS**  trans-38.3156.2163.8-60.7163.2148.400112.5K187E185-K187 VanDerWaalsContact C-N 3.27Å; E185-K187 PolarHBondContact O-N 3.35Å
186G50.3Low56.6Low90 Ų90103.9 Ų103.993%0.92863%0.625SS**  trans-51.996.2164.400000109.7
187K35.3Very low56.8Low162 Ų162105.2 Ų105.270%0.70463%0.634SS**  trans-93.9120.5164.8-123.9179.3-179.8-173.20104.1E185 E189E185-K187 VanDerWaalsContact C-N 3.27Å; E185-K187 PolarHBondContact O-N 3.35Å; K187-E189 PolarHBondContact O-N 3.19Å
188H49.5Very low57.1Low184 Ų184102.3 Ų102.385%0.85261%0.612SS**  trans-31.4117.4154.2-127.9-101.9000108.2S190H188-S190 VanDerWaalsContact C-N 3.27Å; H188-S190 PolarHBondContact O-N 2.83Å
189E54.9Low58.5Low157 Ų15796.1 Ų96.173%0.73457%0.574SS**  trans-62.991.6-174.3-134.9152.2179.400107.2K187 C191 V277K187-E189 PolarHBondContact O-N 3.19Å; E189-C191 PolarHBondContact O-N 3.43Å; E189-C191 VanDerWaalsContact O-N 3.15Å; E189-V277 HydrophobicContact CB-CG1 4.26Å
190S66Low60.2Low97 Ų9791.3 Ų91.368%0.67853%0.534SS*.  trans-77102-179.754.80000106.9H188 T192H188-S190 VanDerWaalsContact C-N 3.27Å; H188-S190 PolarHBondContact O-N 2.83Å; S190-T192 PolarHBondContact O-N 3.19Å
191C72.1Confident62Low25 Ų2590.1 Ų90.117%0.16952%0.515CS..  trans-53.1132.7173.5-56.20000110.1E189 D195 L196 C278E189-C191 PolarHBondContact O-N 3.43Å; E189-C191 VanDerWaalsContact O-N 3.15Å; C191-D195 HydrophobicContact CB-CB 4.46Å; C191-L196 HydrophobicContact CB-CD2 3.75Å; C191-L196 HydrophobicContact CB-CG 4.13Å; C191-C278 HydrophobicContact CB-CB 3.83Å; C191-C278 WeakPolarHBondContact CB-SG 3.34Å; C191-C278 WeakPolarHBondContact SG-CA 3.45Å; C191-C278 WeakPolarHBondContact SG-CB 3.33Å; C191-C278 CovalentContact SG-SG 2.03Å; C191-C278 PolarHBondContact SG-SG 2.75Å
192T81.3Confident63.8Low76 Ų7690 Ų9047%0.46650%0.499SS..  trans-79.3162.8174.968.70000110.5S190 Q194 D195 L196S190-T192 PolarHBondContact O-N 3.19Å; T192-Q194 PolarHBondContact O-N 2.03Å; T192-D195 WeakPolarHBondContact CB-OD2 3.02Å; T192-D195 PolarHBondContact N-OD2 3.43Å; T192-D195 PolarHBondContact O-N 3.28Å; T192-D195 VanDerWaalsContact O-N 3.08Å; T192-D195 PolarHBondContact OG1-N 2.93Å; T192-D195 PolarHBondContact OG1-OD2 3.11Å; T192-L196 WeakPolarHBondContact O-CG 3.45Å; T192-L196 PolarHBondContact O-N 3.37Å; T192-L196 VanDerWaalsContact O-N 3.14Å
193G72.8Confident65.7Low42 Ų4285.1 Ų85.143%0.43346%0.457SS..Hα-helixtrans-55-38175.900000112.6L196 S197G193-L196 PolarHBondContact O-N 3.24Å; G193-S197 PolarHBondContact O-N 3.45Å; G193-S197 PolarHBondContact O-OG 2.85Å
194Q69.4Low67.7Low58 Ų5882.2 Ų82.227%0.27143%0.432SS..Hα-helixtrans-63.3-45.2175-171.564.430.800112.3T192 L196 S197 D198 L311T192-Q194 PolarHBondContact O-N 2.03Å; Q194-L196 VanDerWaalsContact C-N 3.25Å; Q194-L196 PolarHBondContact O-N 3.33Å; Q194-S197 PolarHBondContact O-N 3.37Å; Q194-D198 PolarHBondContact NE2-OD1 3.03Å; Q194-D198 WeakPolarHBondContact O-CB 2.96Å; Q194-D198 VanDerWaalsContact O-CG 3.26Å; Q194-D198 PolarHBondContact O-N 3.17Å; Q194-L311 VanDerWaalsContact OE1-CD1 3.3Å
195D78Confident69.8Low71 Ų7176.5 Ų76.538%0.3842%0.418SS..Hα-helixtrans-61.7-36.7179.6-58.5-48.2000111.7C191 T192 L199C191-D195 HydrophobicContact CB-CB 4.46Å; T192-D195 WeakPolarHBondContact CB-OD2 3.02Å; T192-D195 PolarHBondContact N-OD2 3.43Å; T192-D195 PolarHBondContact O-N 3.28Å; T192-D195 VanDerWaalsContact O-N 3.08Å; T192-D195 PolarHBondContact OG1-N 2.93Å; T192-D195 PolarHBondContact OG1-OD2 3.11Å; D195-L199 VanDerWaalsContact O-CB 3.26Å; D195-L199 WeakPolarHBondContact O-CB 3.26Å; D195-L199 PolarHBondContact O-N 3.34Å
196L79.4Confident71.9Confident29 Ų2972.2 Ų72.215%0.15239%0.394CS..Hα-helixtrans-69.7-43176.5-62.2179.7000111.5C191 T192 G193 Q194 L199 G200 C278 P281 F282C191-L196 HydrophobicContact CB-CD2 3.75Å; C191-L196 HydrophobicContact CB-CG 4.13Å; T192-L196 WeakPolarHBondContact O-CG 3.45Å; T192-L196 PolarHBondContact O-N 3.37Å; T192-L196 VanDerWaalsContact O-N 3.14Å; G193-L196 PolarHBondContact O-N 3.24Å; Q194-L196 VanDerWaalsContact C-N 3.25Å; Q194-L196 PolarHBondContact O-N 3.33Å; L196-L199 PolarHBondContact O-N 3.14Å; L196-G200 PolarHBondContact O-N 2.93Å; L196-C278 HydrophobicContact CD2-CB 4.11Å; L196-P281 HydrophobicContact CD2-CB 4.14Å; L196-F282 HydrophobicContact CB-CD2 4.13Å; L196-F282 HydrophobicContact CD2-CB 3.87Å; L196-F282 WeakPolarHBondContact O-CD2 3.5Å; L196-F282 VanDerWaalsContact O-CE2 3.23Å; L196-F282 WeakPolarHBondContact O-CE2 3.23Å
197S74.5Confident73.6Confident52 Ų5267.9 Ų67.936%0.36435%0.35SS..Hα-helixtrans-62.5-47175.1-660000112.1G193 Q194 L199 G200 E201G193-S197 PolarHBondContact O-N 3.45Å; G193-S197 PolarHBondContact O-OG 2.85Å; Q194-S197 PolarHBondContact O-N 3.37Å; S197-L199 VanDerWaalsContact C-N 3.31Å; S197-L199 PolarHBondContact O-N 2.78Å; S197-G200 PolarHBondContact O-N 3.12Å; S197-G200 VanDerWaalsContact O-N 3.12Å; S197-E201 PolarHBondContact O-N 3.5Å
198D75.1Confident75.9Confident59 Ų5963.1 Ų63.132%0.31633%0.33SS..Hα-helixtrans-64.8-36.4178.9-68.3-11.6000111.2Q194 R202Q194-D198 PolarHBondContact NE2-OD1 3.03Å; Q194-D198 WeakPolarHBondContact O-CB 2.96Å; Q194-D198 VanDerWaalsContact O-CG 3.26Å; Q194-D198 PolarHBondContact O-N 3.17Å; D198-R202 VanDerWaalsContact O-CG 3.26Å; D198-R202 WeakPolarHBondContact O-CG 3.15Å; D198-R202 PolarHBondContact O-N 3.39Å; D198-R202 VanDerWaalsContact O-N 3.12Å; D198-R202 PolarHBondContact O-NE 3.34Å
199L82.4Confident77.5Confident3 Ų359.5 Ų59.52%0.01632%0.316CS..Hα-helixtrans-64.2-43.2171.6179.760.6000111.9D195 L196 S197 E201 R202 L203 E276 C278 I279 F282D195-L199 VanDerWaalsContact O-CB 3.26Å; D195-L199 WeakPolarHBondContact O-CB 3.26Å; D195-L199 PolarHBondContact O-N 3.34Å; L196-L199 PolarHBondContact O-N 3.14Å; S197-L199 VanDerWaalsContact C-N 3.31Å; S197-L199 PolarHBondContact O-N 2.78Å; L199-E201 VanDerWaalsContact C-N 3.35Å; L199-E201 PolarHBondContact O-N 3.44Å; L199-R202 PolarHBondContact O-N 2.93Å; L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.28Å; L199-L203 HydrophobicContact CG-CD1 4.14Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.69Å; L199-E276 HydrophobicContact CD1-CB 4.5Å; L199-E276 HydrophobicContact CD1-CG 4.27Å; L199-C278 VanDerWaalsContact CD2-C 3.4Å; L199-C278 HydrophobicContact CD2-CB 3.92Å; L199-C278 WeakPolarHBondContact CD2-O 3.49Å; L199-I279 HydrophobicContact CD2-CB 4.18Å; L199-F282 HydrophobicContact CD2-CB 3.94Å; L199-F282 HydrophobicContact CD2-CG 4.31Å
200G82.2Confident78.7Confident4 Ų454.8 Ų54.84%0.04130%0.296CS..Hα-helixtrans-58-44.6176.400000112.6L196 S197 L203 K204L196-G200 PolarHBondContact O-N 2.93Å; S197-G200 PolarHBondContact O-N 3.12Å; S197-G200 VanDerWaalsContact O-N 3.12Å; G200-L203 PolarHBondContact O-N 2.84Å; G200-K204 VanDerWaalsContact O-CG 3.32Å; G200-K204 WeakPolarHBondContact O-CG 3.43Å; G200-K204 PolarHBondContact O-N 3.3Å; G200-K204 VanDerWaalsContact O-N 3.12Å
201E78.3Confident79.3Confident53 Ų5351.2 Ų51.225%0.24827%0.268CS..Hα-helixtrans-63.1-46.4175.9-69.5-175.7175.800112S197 L199 L203 K204 D205 K307S197-E201 PolarHBondContact O-N 3.5Å; L199-E201 VanDerWaalsContact C-N 3.35Å; L199-E201 PolarHBondContact O-N 3.44Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 3.34Å; E201-K204 WeakPolarHBondContact O-CB 3.34Å; E201-K204 PolarHBondContact O-N 3.19Å; E201-K204 VanDerWaalsContact O-N 3.11Å; E201-D205 PolarHBondContact O-N 2.94Å; E201-D205 VanDerWaalsContact O-N 3.14Å; E201-K307 WeakPolarHBondContact OE1-CD 3.24Å; E201-K307 WeakPolarHBondContact OE1-CE 3.3Å; E201-K307 WeakPolarHBondContact OE1-CG 3.33Å; E201-K307 IonicContact OE1-NZ 2.86Å; E201-K307 PolarHBondContact OE1-NZ 3.37Å; E201-K307 IonicContact OE2-NZ 3.25Å; E201-K307 PolarHBondContact OE2-NZ 3.28Å
202R79.8Confident79.6Confident119 Ų11953.1 Ų53.145%0.44928%0.279SS..Hα-helixtrans-58.7-40.7177.9-72.5-178.1-66.9149.81.4112.5D198 L199 W206 E276D198-R202 VanDerWaalsContact O-CG 3.26Å; D198-R202 WeakPolarHBondContact O-CG 3.15Å; D198-R202 PolarHBondContact O-N 3.39Å; D198-R202 VanDerWaalsContact O-N 3.12Å; D198-R202 PolarHBondContact O-NE 3.34Å; L199-R202 PolarHBondContact O-N 2.93Å; R202-W206 WeakPolarHBondContact O-CB 3.29Å; R202-W206 PolarHBondContact O-N 3.26Å; R202-E276 IonicContact CZ-OE1 3.78Å; R202-E276 IonicContact CZ-OE2 2.78Å; R202-E276 IonicContact NH1-OE1 3.7Å; R202-E276 PolarHBondContact NH1-OE1 3.43Å; R202-E276 IonicContact NH1-OE2 3.72Å; R202-E276 PolarHBondContact NH1-OE2 3.47Å; R202-E276 IonicContact NH2-OE1 2.83Å; R202-E276 IonicContact NH2-OE2 3.2Å; R202-E276 PolarHBondContact NH2-OE2 3.37Å
203L84.1Confident79.5Confident9 Ų953.2 Ų53.25%0.04728%0.277CS..Hα-helixtrans-65.8-41.4176.1-74173000111.9L199 G200 E201 D205 W206 F207 I270 F282 F283 F303L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.28Å; L199-L203 HydrophobicContact CG-CD1 4.14Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.69Å; G200-L203 PolarHBondContact O-N 2.84Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 3.34Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.09Å; L203-W206 HydrophobicContact CD2-CE3 4.22Å; L203-W206 PolarHBondContact O-N 3.23Å; L203-F207 HydrophobicContact CB-CE2 4.15Å; L203-F207 HydrophobicContact CB-CZ 4.02Å; L203-F207 HydrophobicContact CD2-CE1 4.37Å; L203-F207 HydrophobicContact CD2-CZ 4.28Å; L203-F207 WeakPolarHBondContact O-CD1 2.97Å; L203-F207 VanDerWaalsContact O-CD2 3.28Å; L203-F207 WeakPolarHBondContact O-CD2 3.24Å; L203-F207 WeakPolarHBondContact O-CG 3.49Å; L203-F207 PolarHBondContact O-N 3.36Å; L203-I270 HydrophobicContact CD2-CD1 4.34Å; L203-F282 HydrophobicContact CD1-CD1 4.27Å; L203-F282 HydrophobicContact CD1-CE1 4.13Å; L203-F283 HydrophobicContact CD1-CZ 4.06Å; L203-F303 HydrophobicContact CB-CE1 3.75Å; L203-F303 HydrophobicContact CB-CZ 4.24Å; L203-F303 HydrophobicContact CD1-CE1 4.14Å; L203-F303 HydrophobicContact CD1-CZ 4.13Å
204K82.9Confident79.6Confident40 Ų4053 Ų5317%0.17427%0.271CS..Hα-helixtrans-58.5-44.6176.6-68.7173.6-149.5-172.50112.1G200 E201 F207 Q208 I247 F303 R305G200-K204 VanDerWaalsContact O-CG 3.32Å; G200-K204 WeakPolarHBondContact O-CG 3.43Å; G200-K204 PolarHBondContact O-N 3.3Å; G200-K204 VanDerWaalsContact O-N 3.12Å; E201-K204 WeakPolarHBondContact O-CB 3.34Å; E201-K204 PolarHBondContact O-N 3.19Å; E201-K204 VanDerWaalsContact O-N 3.11Å; K204-F207 PolarHBondContact O-N 3.37Å; K204-Q208 WeakPolarHBondContact O-CG 3.38Å; K204-Q208 PolarHBondContact O-N 2.83Å; K204-Q208 VanDerWaalsContact O-N 3.15Å; K204-I247 HydrophobicContact CG-CD1 4.24Å; K204-F303 HydrophobicContact CD-CB 4.26Å; K204-F303 HydrophobicContact CD-CD1 4.3Å; K204-F303 WeakPolarHBondContact CD-O 3.46Å; K204-F303 WeakPolarHBondContact CE-O 3.14Å; K204-F303 HydrophobicContact CG-CB 4.05Å; K204-F303 HydrophobicContact CG-CD1 3.59Å; K204-F303 HydrophobicContact CG-CE1 4.45Å; K204-F303 HydrophobicContact CG-CG 4.18Å; K204-F303 PolarHBondContact NZ-O 3.13Å; K204-R305 PolarHBondContact NZ-O 3.42Å
205D80.1Confident79.9Confident97 Ų9755.7 Ų55.752%0.51928%0.282SS..Hα-helixtrans-69.1-40.3-179.9-76.3-7.2000111.5E201 L203 F207 Q208 L209E201-D205 PolarHBondContact O-N 2.94Å; E201-D205 VanDerWaalsContact O-N 3.14Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.09Å; D205-F207 PolarHBondContact O-N 2.96Å; D205-Q208 WeakPolarHBondContact O-CB 3.16Å; D205-Q208 PolarHBondContact O-N 3.31Å; D205-L209 WeakPolarHBondContact O-CG 3.42Å; D205-L209 PolarHBondContact O-N 3.45Å
206W82.1Confident79.3Confident89 Ų8958.8 Ų58.834%0.33729%0.294SS..Hα-helixtrans-61.1-43.3174.8-179.261.1000112.4R202 L203 Q208 L209 L210 M250 I270R202-W206 WeakPolarHBondContact O-CB 3.29Å; R202-W206 PolarHBondContact O-N 3.26Å; L203-W206 HydrophobicContact CD2-CE3 4.22Å; L203-W206 PolarHBondContact O-N 3.23Å; W206-Q208 VanDerWaalsContact C-N 3.33Å; W206-Q208 PolarHBondContact O-N 2.92Å; W206-L209 PolarHBondContact O-N 3.36Å; W206-L210 HydrophobicContact CD2-CD1 3.9Å; W206-L210 HydrophobicContact CD2-CG 4.46Å; W206-L210 VanDerWaalsContact CE2-CD1 3.44Å; W206-L210 HydrophobicContact CE3-CD1 4.23Å; W206-L210 HydrophobicContact CH2-CD1 3.74Å; W206-L210 HydrophobicContact CZ2-CD1 3.39Å; W206-L210 HydrophobicContact CZ2-CG 4.32Å; W206-L210 HydrophobicContact CZ3-CD1 4.15Å; W206-L210 PolarHBondContact O-N 3.08Å; W206-M250 HydrophobicContact CZ3-CE 4.21Å; W206-I270 HydrophobicContact CH2-CG1 4.34Å; W206-I270 HydrophobicContact CZ3-CD1 3.83Å; W206-I270 HydrophobicContact CZ3-CG1 3.83Å
207F85.3Confident78.4Confident0 Ų063.7 Ų63.70%032%0.32CS..Hα-helixtrans-61.6-40.3175.9-59.7-22.3000112.3L203 K204 D205 L209 L210 Q211 M250 I270 W299 F303L203-F207 HydrophobicContact CB-CE2 4.15Å; L203-F207 HydrophobicContact CB-CZ 4.02Å; L203-F207 HydrophobicContact CD2-CE1 4.37Å; L203-F207 HydrophobicContact CD2-CZ 4.28Å; L203-F207 WeakPolarHBondContact O-CD1 2.97Å; L203-F207 VanDerWaalsContact O-CD2 3.28Å; L203-F207 WeakPolarHBondContact O-CD2 3.24Å; L203-F207 WeakPolarHBondContact O-CG 3.49Å; L203-F207 PolarHBondContact O-N 3.36Å; K204-F207 PolarHBondContact O-N 3.37Å; D205-F207 PolarHBondContact O-N 2.96Å; F207-L209 VanDerWaalsContact C-N 3.34Å; F207-L209 PolarHBondContact O-N 3.05Å; F207-L210 PolarHBondContact O-N 2.9Å; F207-Q211 WeakPolarHBondContact O-CB 3.33Å; F207-Q211 PolarHBondContact O-N 3.02Å; F207-M250 HydrophobicContact CB-CB 4.37Å; F207-M250 HydrophobicContact CD1-CB 4.04Å; F207-M250 HydrophobicContact CD1-CE 3.39Å; F207-M250 HydrophobicContact CD1-CG 3.65Å; F207-M250 HydrophobicContact CD1-SD 4.28Å; F207-M250 HydrophobicContact CD2-CB 4.17Å; F207-M250 HydrophobicContact CD2-CG 4.33Å; F207-M250 HydrophobicContact CE1-CB 4.33Å; F207-M250 HydrophobicContact CE1-CE 3.83Å; F207-M250 HydrophobicContact CE1-CG 3.53Å; F207-M250 HydrophobicContact CE1-SD 4.25Å; F207-M250 HydrophobicContact CE2-CB 4.49Å; F207-M250 HydrophobicContact CE2-CG 4.26Å; F207-M250 HydrophobicContact CG-CB 3.94Å; F207-M250 HydrophobicContact CG-CE 4.25Å; F207-M250 HydrophobicContact CG-CG 4.05Å; F207-M250 HydrophobicContact CZ-CG 3.87Å; F207-I270 HydrophobicContact CE1-CD1 3.54Å; F207-I270 HydrophobicContact CZ-CD1 3.6Å; F207-W299 HydrophobicContact CE2-CH2 4.13Å; F207-W299 AromaticContact CE2-CZ2 3.61Å; F207-W299 HydrophobicContact CE2-CZ2 3.61Å; F207-W299 AromaticContact CZ-CH2 3.94Å; F207-W299 HydrophobicContact CZ-CH2 3.94Å; F207-W299 AromaticContact CZ-CZ2 3.81Å; F207-W299 HydrophobicContact CZ-CZ2 3.81Å; F207-F303 HydrophobicContact CE2-CE1 4.1Å; F207-F303 HydrophobicContact CE2-CE2 4Å; F207-F303 AromaticContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CZ-CZ 4.22Å
208Q83.9Confident77.7Confident62 Ų6267.1 Ų67.129%0.2934%0.335SS..Hα-helixtrans-62-41.5175.2-71.5171.843.200111.6K204 D205 W206 T212 S246K204-Q208 WeakPolarHBondContact O-CG 3.38Å; K204-Q208 PolarHBondContact O-N 2.83Å; K204-Q208 VanDerWaalsContact O-N 3.15Å; D205-Q208 WeakPolarHBondContact O-CB 3.16Å; D205-Q208 PolarHBondContact O-N 3.31Å; W206-Q208 VanDerWaalsContact C-N 3.33Å; W206-Q208 PolarHBondContact O-N 2.92Å; Q208-T212 VanDerWaalsContact O-CG2 3.31Å; Q208-T212 WeakPolarHBondContact O-CG2 3.18Å; Q208-T212 PolarHBondContact O-N 3.35Å; Q208-T212 PolarHBondContact O-OG1 3.42Å; Q208-S246 VanDerWaalsContact CG-OG 3.24Å; Q208-S246 WeakPolarHBondContact CG-OG 3.46Å
209L82.1Confident76.6Confident107 Ų10770.8 Ų70.856%0.5635%0.354SS*.Hα-helixtrans-65.7-42.3176-71.7173.1000112.1D205 W206 F207 T212 N213D205-L209 WeakPolarHBondContact O-CG 3.42Å; D205-L209 PolarHBondContact O-N 3.45Å; W206-L209 PolarHBondContact O-N 3.36Å; F207-L209 VanDerWaalsContact C-N 3.34Å; F207-L209 PolarHBondContact O-N 3.05Å; L209-T212 WeakPolarHBondContact CA-OG1 3.25Å; L209-T212 PolarHBondContact O-N 2.91Å; L209-T212 PolarHBondContact O-OG1 3.17Å; L209-N213 PolarHBondContact O-N 2.87Å; L209-N213 PolarHBondContact O-ND2 3.25Å
210L80.7Confident75.1Confident58 Ų5875.8 Ų75.830%0.30439%0.39SS..Hα-helixtrans-64.8-43.7178.8-74.9-179.2000112.2W206 F207 T212 N213 A214 W249 M250W206-L210 HydrophobicContact CD2-CD1 3.9Å; W206-L210 HydrophobicContact CD2-CG 4.46Å; W206-L210 VanDerWaalsContact CE2-CD1 3.44Å; W206-L210 HydrophobicContact CE3-CD1 4.23Å; W206-L210 HydrophobicContact CH2-CD1 3.74Å; W206-L210 HydrophobicContact CZ2-CD1 3.39Å; W206-L210 HydrophobicContact CZ2-CG 4.32Å; W206-L210 HydrophobicContact CZ3-CD1 4.15Å; W206-L210 PolarHBondContact O-N 3.08Å; F207-L210 PolarHBondContact O-N 2.9Å; L210-T212 VanDerWaalsContact C-N 3.35Å; L210-T212 PolarHBondContact O-N 3.3Å; L210-N213 PolarHBondContact O-N 3Å; L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.15Å; L210-W249 HydrophobicContact CB-CH2 4.14Å; L210-W249 HydrophobicContact CB-CZ3 3.81Å; L210-M250 HydrophobicContact CB-CE 4.44Å; L210-M250 HydrophobicContact CD1-CE 3.37Å
211Q78.2Confident73.6Confident22 Ų2284.5 Ų84.510%0.10343%0.427CS..Hα-helixtrans-64.7-40178.5-168-172.84400111.8F207 A214 K215 D245 S246 W249F207-Q211 WeakPolarHBondContact O-CB 3.33Å; F207-Q211 PolarHBondContact O-N 3.02Å; Q211-A214 PolarHBondContact O-N 3.19Å; Q211-K215 HydrophobicContact CG-CD 4.46Å; Q211-K215 WeakPolarHBondContact O-CG 3.47Å; Q211-K215 PolarHBondContact O-N 2.94Å; Q211-D245 PolarHBondContact NE2-O 2.98Å; Q211-S246 VanDerWaalsContact OE1-CA 3.3Å; Q211-W249 HydrophobicContact CB-CD2 4.01Å; Q211-W249 HydrophobicContact CB-CE3 3.81Å; Q211-W249 HydrophobicContact CB-CG 4.48Å; Q211-W249 HydrophobicContact CB-CZ3 4.21Å; Q211-W249 HydrophobicContact CG-CB 4.31Å; Q211-W249 HydrophobicContact CG-CD2 3.82Å; Q211-W249 HydrophobicContact CG-CE3 4.16Å; Q211-W249 HydrophobicContact CG-CG 3.87Å; Q211-W249 VanDerWaalsContact NE2-CB 3.27Å
212T78.9Confident71.9Confident65 Ų6589.4 Ų89.440%0.39945%0.449SS..Hα-helixtrans-66.4-39.9177.950.40000111.9Q208 L209 L210 K215 Q216Q208-T212 VanDerWaalsContact O-CG2 3.31Å; Q208-T212 WeakPolarHBondContact O-CG2 3.18Å; Q208-T212 PolarHBondContact O-N 3.35Å; Q208-T212 PolarHBondContact O-OG1 3.42Å; L209-T212 WeakPolarHBondContact CA-OG1 3.25Å; L209-T212 PolarHBondContact O-N 2.91Å; L209-T212 PolarHBondContact O-OG1 3.17Å; L210-T212 VanDerWaalsContact C-N 3.35Å; L210-T212 PolarHBondContact O-N 3.3Å; T212-K215 PolarHBondContact O-N 3.43Å; T212-Q216 WeakPolarHBondContact O-CG 3.46Å; T212-Q216 PolarHBondContact O-N 3.38Å
213N78.8Confident69.9Low79 Ų7988.1 Ų88.142%0.42247%0.473SS..Hα-helixtrans-64.7-41.5173.3-77-64000112.5L209 L210 K215 Q216 N217L209-N213 PolarHBondContact O-N 2.87Å; L209-N213 PolarHBondContact O-ND2 3.25Å; L210-N213 PolarHBondContact O-N 3Å; N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 3.14Å; N213-Q216 PolarHBondContact O-N 3.08Å; N213-N217 PolarHBondContact O-N 3.42Å
214A75.9Confident67.6Low37 Ų3791.1 Ų91.131%0.30650%0.499SS..Hα-helixtrans-62.2-40.4175.900000111.9L210 Q211 N217 N218 W249L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.15Å; Q211-A214 PolarHBondContact O-N 3.19Å; A214-N217 PolarHBondContact O-N 3.13Å; A214-N218 PolarHBondContact O-N 2.62Å; A214-W249 HydrophobicContact CB-CH2 4.31Å; A214-W249 HydrophobicContact CB-CZ2 3.82Å
215K74.4Confident65.4Low115 Ų115100.9 Ų100.950%0.554%0.535SS..Hα-helixtrans-64.4-40.3174-74174.2177.7173.10112.1Q211 T212 N213 N218 N219Q211-K215 HydrophobicContact CG-CD 4.46Å; Q211-K215 WeakPolarHBondContact O-CG 3.47Å; Q211-K215 PolarHBondContact O-N 2.94Å; T212-K215 PolarHBondContact O-N 3.43Å; N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 3.14Å; K215-N218 PolarHBondContact O-N 3.29Å; K215-N219 PolarHBondContact O-N 3.26Å
216Q66.6Low63.4Low135 Ų135101.9 Ų101.963%0.63155%0.549SS*.Hα-helixtrans-66.5-38.4177.4-74.5-174.83.300112.9T212 N213 N218 N219T212-Q216 WeakPolarHBondContact O-CG 3.46Å; T212-Q216 PolarHBondContact O-N 3.38Å; N213-Q216 PolarHBondContact O-N 3.08Å; Q216-N218 VanDerWaalsContact C-N 3.29Å; Q216-N218 PolarHBondContact O-N 2.94Å; Q216-N219 PolarHBondContact O-N 2.61Å; Q216-N219 VanDerWaalsContact O-N 3.12Å
217N59.1Low61.3Low132 Ų132103.4 Ų103.471%0.70657%0.571SS**Hα-helixtrans-67.4-30.9179.5-155.917.2000112.4N213 A214N213-N217 PolarHBondContact O-N 3.42Å; A214-N217 PolarHBondContact O-N 3.13Å
218N59.9Low59Low125 Ų125107.7 Ų107.767%0.66861%0.607SS**Hα-helixtrans-75.2-23.3172.6-78.3-22.5000113.5A214 K215 Q216 S220 K221A214-N218 PolarHBondContact O-N 2.62Å; K215-N218 PolarHBondContact O-N 3.29Å; Q216-N218 VanDerWaalsContact C-N 3.29Å; Q216-N218 PolarHBondContact O-N 2.94Å; N218-S220 VanDerWaalsContact C-N 3.33Å; N218-S220 PolarHBondContact O-N 3.08Å; N218-K221 PolarHBondContact O-N 2.9Å
219N53.1Low57.3Low135 Ų135109.5 Ų109.572%0.72263%0.632SS**Hα-helixtrans-78.2-11.7178.4-101.24.7000114.3K215 Q216 K221K215-N219 PolarHBondContact O-N 3.26Å; Q216-N219 PolarHBondContact O-N 2.61Å; Q216-N219 VanDerWaalsContact O-N 3.12Å; N219-K221 PolarHBondContact O-N 3.33Å
220S51.5Low55.2Low108 Ų108109.9 Ų109.976%0.75564%0.644SS**THydrogen-bonded Turntrans-770.1173.1-170.40000113.3N218N218-S220 VanDerWaalsContact C-N 3.33Å; N218-S220 PolarHBondContact O-N 3.08Å
221K50.7Low53.3Low188 Ų188113.9 Ų113.982%0.81767%0.671SS**THydrogen-bonded Turntrans-146.646.8-177.4-140.9-179-166.6-178.80113.1N218 N219N218-K221 PolarHBondContact O-N 2.9Å; N219-K221 PolarHBondContact O-N 3.33Å
222Q41.1Very low51.5Low155 Ų155116.8 Ų116.872%0.72470%0.698SS**  trans-157.486.9164.7-110.3164.755.100112.3A224Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 3.32Å
223G39.3Very low49.6Very low92 Ų92117.2 Ų117.295%0.94870%0.704SS**  trans-81.479147.700000108.5
224A35.9Very low47.9Very low72 Ų72119.9 Ų119.960%0.59572%0.723SS**SBendtrans-159.7127.1166.300000109.3Q222 S226Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 3.32Å; A224-S226 PolarHBondContact O-N 3.38Å
225R36.6Very low46.3Very low245 Ų245125.7 Ų125.793%0.92575%0.748SS**  trans-44.3128.9177.3-71.4167169.4167.4-5.4111.7P227R225-P227 WeakPolarHBondContact O-CD 3.45Å
226S37.3Very low44.7Very low118 Ų118123.9 Ų123.983%0.82574%0.744SS**PPolyproline II helixtrans-64.7129.8161-48.80000110A224A224-S226 PolarHBondContact O-N 3.38Å
227P38.8Very low43.6Very low122 Ų122126.8 Ų126.879%0.79275%0.749SS**PPolyproline II helixtrans-98.7157.8143.831.8-18.7000109.6R225R225-P227 WeakPolarHBondContact O-CD 3.45Å
228A36.7Very low42.9Very low90 Ų90125 Ų12574%0.74475%0.747SS**PPolyproline II helixtrans-53.7151.3-170.900000115.4
229A47.3Very low42.3Very low99 Ų99124.7 Ų124.782%0.81874%0.744SS**  trans30.792.6141.300000116.3
230S37.8Very low42.2Very low116 Ų116121.4 Ų121.481%0.81173%0.729SS**  trans-91.9101.6162-51.70000108.9A232S230-A232 PolarHBondContact O-N 2.98Å
231T42.5Very low42Very low142 Ų142119.9 Ų119.987%0.87172%0.723SS**  trans-11.989.9155.255.30000116
232A38.8Very low42.2Very low83 Ų83114 Ų11469%0.68671%0.705SS**  trans-112.9119.5150.800000106.4S230S230-A232 PolarHBondContact O-N 2.98Å
233S38.6Very low43.5Very low73 Ų73107 Ų10751%0.5167%0.674SS.*  trans28.493.6165.844.70000117.1L235 D236S233-L235 PolarHBondContact O-N 3Å; S233-D236 PolarHBondContact O-N 3.31Å; S233-D236 WeakPolarHBondContact OG-CB 3.46Å
234V44.3Very low45.1Very low135 Ų135107.6 Ų107.682%0.81865%0.65SS**THydrogen-bonded Turntrans-56.1-17.8171.7174.60000113.2
235L41.3Very low47.1Very low160 Ų160110.1 Ų110.184%0.83865%0.653SS**THydrogen-bonded Turntrans-86.1-21.6177.5-62.9172.3000114.1S233 R237S233-L235 PolarHBondContact O-N 3Å; L235-R237 VanDerWaalsContact C-N 3.31Å
236D41.9Very low49.2Very low77 Ų7798.6 Ų98.641%0.41261%0.611SS.*THydrogen-bonded Turntrans-82.1-19179.7-158.320.6000111.7S233 S238 V240S233-D236 PolarHBondContact O-N 3.31Å; S233-D236 WeakPolarHBondContact OG-CB 3.46Å; D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.32Å; D236-V240 WeakPolarHBondContact O-CB 3.38Å; D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 3.13Å
237R43.5Very low51.4Low196 Ų19693.2 Ų93.274%0.7457%0.572SS**Hα-helixtrans-76.4-9.5179-162.2169170.8150.7-1.9113.5L235 A241L235-R237 VanDerWaalsContact C-N 3.31Å; R237-A241 WeakPolarHBondContact O-CA 3.32Å; R237-A241 WeakPolarHBondContact O-CB 3.3Å; R237-A241 PolarHBondContact O-N 2.77Å
238S44.3Very low53.6Low95 Ų9588.2 Ų88.266%0.66454%0.543SS*.Hα-helixtrans-88.1-35.7-178.3-165.20000113.5D236D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.32Å
239L47.6Very low55.8Low118 Ų11887.9 Ų87.962%0.61852%0.523SS*.Hα-helixtrans-83.3-39.2175.5-75160.8000110.5S242L239-S242 PolarHBondContact O-N 3.37Å; L239-S242 PolarHBondContact O-OG 3.38Å
240V49.7Very low57.6Low66 Ų6683.7 Ų83.740%0.449%0.486SS..Hα-helixtrans-75-20.1174-177.80000112.9D236 S242 C243D236-V240 WeakPolarHBondContact O-CB 3.38Å; D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 3.13Å; V240-S242 PolarHBondContact O-N 2.69Å; V240-C243 WeakPolarHBondContact O-CA 3.33Å; V240-C243 WeakPolarHBondContact O-CB 3.26Å; V240-C243 PolarHBondContact O-N 3.07Å
241A49.2Very low59.8Low75 Ų7578.6 Ų78.662%0.6245%0.449SS*.THydrogen-bonded Turntrans-72.1-14170.100000113.9R237R237-A241 WeakPolarHBondContact O-CA 3.32Å; R237-A241 WeakPolarHBondContact O-CB 3.3Å; R237-A241 PolarHBondContact O-N 2.77Å
242S53Low61.8Low65 Ų6575.5 Ų75.546%0.45543%0.434SS..THydrogen-bonded Turntrans-83.92.4165.977.80000112L239 V240 W304L239-S242 PolarHBondContact O-N 3.37Å; L239-S242 PolarHBondContact O-OG 3.38Å; V240-S242 PolarHBondContact O-N 2.69Å; S242-W304 WeakPolarHBondContact O-CH2 3.41Å; S242-W304 WeakPolarHBondContact O-CZ2 3.48Å; S242-W304 WeakPolarHBondContact O-CZ3 3.13Å
243C68.4Low63.9Low9 Ų976.4 Ų76.46%0.06142%0.422CS..SBendtrans-110137.3-177.5-144.90000113.7V240 C300 W304V240-C243 WeakPolarHBondContact O-CA 3.33Å; V240-C243 WeakPolarHBondContact O-CB 3.26Å; V240-C243 PolarHBondContact O-N 3.07Å; C243-C300 HydrophobicContact CB-CB 3.93Å; C243-C300 WeakPolarHBondContact CB-SG 3.22Å; C243-C300 WeakPolarHBondContact SG-CB 3.49Å; C243-C300 CovalentContact SG-SG 2.03Å; C243-C300 PolarHBondContact SG-SG 2.85Å; C243-W304 HydrophobicContact CB-CZ3 4.18Å
244K73.6Confident66Low104 Ų10473.3 Ų73.345%0.45240%0.4SS..  trans-77.5137.2-171.7-173.2179.1-179.4-177.60103.9S246 I247 G248 W304K244-S246 PolarHBondContact O-N 3.11Å; K244-I247 HydrophobicContact CB-CB 4.36Å; K244-I247 HydrophobicContact CB-CD1 3.84Å; K244-I247 HydrophobicContact CB-CG1 4.19Å; K244-I247 HydrophobicContact CD-CD1 4.39Å; K244-I247 WeakPolarHBondContact O-CA 3.38Å; K244-I247 PolarHBondContact O-N 3.49Å; K244-G248 PolarHBondContact O-N 2.71Å; K244-W304 HydrophobicContact CB-CH2 3.79Å; K244-W304 HydrophobicContact CB-CZ3 3.96Å
245D77.1Confident67.9Low124 Ų12467.2 Ų67.266%0.66336%0.363SS*.Hα-helixtrans-47.9-35.2-171.3-65.6-19.1000114Q211 W249Q211-D245 PolarHBondContact NE2-O 2.98Å; D245-W249 WeakPolarHBondContact O-CB 3.46Å; D245-W249 PolarHBondContact O-N 2.84Å
246S82.3Confident69.7Low4 Ų464.8 Ų64.83%0.02836%0.355CS..Hα-helixtrans-75.7-35.7177.354.50000114.4Q208 Q211 K244 M250Q208-S246 VanDerWaalsContact CG-OG 3.24Å; Q208-S246 WeakPolarHBondContact CG-OG 3.46Å; Q211-S246 VanDerWaalsContact OE1-CA 3.3Å; K244-S246 PolarHBondContact O-N 3.11Å; S246-M250 PolarHBondContact O-N 3.39Å
247I83.8Confident71.6Confident4 Ų465 Ų652%0.02136%0.356CS..Hα-helixtrans-76.5-45.2-177.6-64169.1000109.7K204 K244 M250 F251 W299 F303K204-I247 HydrophobicContact CG-CD1 4.24Å; K244-I247 HydrophobicContact CB-CB 4.36Å; K244-I247 HydrophobicContact CB-CD1 3.84Å; K244-I247 HydrophobicContact CB-CG1 4.19Å; K244-I247 HydrophobicContact CD-CD1 4.39Å; K244-I247 WeakPolarHBondContact O-CA 3.38Å; K244-I247 PolarHBondContact O-N 3.49Å; I247-M250 PolarHBondContact O-N 2.99Å; I247-F251 PolarHBondContact O-N 2.74Å; I247-F251 VanDerWaalsContact O-N 3.09Å; I247-W299 VanDerWaalsContact CG2-NE1 3.25Å; I247-W299 PolarHBondContact O-NE1 2.91Å; I247-F303 HydrophobicContact CD1-CB 3.58Å; I247-F303 HydrophobicContact CD1-CG 4.5Å; I247-F303 HydrophobicContact CG1-CB 4.27Å; I247-F303 HydrophobicContact CG2-CB 4.03Å; I247-F303 HydrophobicContact CG2-CD2 3.97Å; I247-F303 HydrophobicContact CG2-CG 4.3Å
248G83.4Confident73.4Confident17 Ų1761.1 Ų61.118%0.17535%0.35CS..Hα-helixtrans-67.7-34.8175.200000112.5K244 M250 F251 S252K244-G248 PolarHBondContact O-N 2.71Å; G248-M250 PolarHBondContact O-N 3.07Å; G248-F251 WeakPolarHBondContact O-CB 3.18Å; G248-F251 PolarHBondContact O-N 3.32Å; G248-S252 PolarHBondContact O-N 3.06Å
249W83.6Confident75.3Confident83 Ų8359.3 Ų59.331%0.31433%0.333SS..Hα-helixtrans-63.1-40.7173.6175.882.8000112.6L210 Q211 A214 D245 K253L210-W249 HydrophobicContact CB-CH2 4.14Å; L210-W249 HydrophobicContact CB-CZ3 3.81Å; Q211-W249 HydrophobicContact CB-CD2 4.01Å; Q211-W249 HydrophobicContact CB-CE3 3.81Å; Q211-W249 HydrophobicContact CB-CG 4.48Å; Q211-W249 HydrophobicContact CB-CZ3 4.21Å; Q211-W249 HydrophobicContact CG-CB 4.31Å; Q211-W249 HydrophobicContact CG-CD2 3.82Å; Q211-W249 HydrophobicContact CG-CE3 4.16Å; Q211-W249 HydrophobicContact CG-CG 3.87Å; Q211-W249 VanDerWaalsContact NE2-CB 3.27Å; A214-W249 HydrophobicContact CB-CH2 4.31Å; A214-W249 HydrophobicContact CB-CZ2 3.82Å; D245-W249 WeakPolarHBondContact O-CB 3.46Å; D245-W249 PolarHBondContact O-N 2.84Å; W249-K253 PolarHBondContact O-N 2.83Å
250M84.6Confident77.1Confident11 Ų1157.6 Ų57.65%0.05432%0.324CS..Hα-helixtrans-66.9-41.7175.9-177.657.77300111.5W206 F207 L210 S246 I247 G248 S252 K253 L254 W299W206-M250 HydrophobicContact CZ3-CE 4.21Å; F207-M250 HydrophobicContact CB-CB 4.37Å; F207-M250 HydrophobicContact CD1-CB 4.04Å; F207-M250 HydrophobicContact CD1-CE 3.39Å; F207-M250 HydrophobicContact CD1-CG 3.65Å; F207-M250 HydrophobicContact CD1-SD 4.28Å; F207-M250 HydrophobicContact CD2-CB 4.17Å; F207-M250 HydrophobicContact CD2-CG 4.33Å; F207-M250 HydrophobicContact CE1-CB 4.33Å; F207-M250 HydrophobicContact CE1-CE 3.83Å; F207-M250 HydrophobicContact CE1-CG 3.53Å; F207-M250 HydrophobicContact CE1-SD 4.25Å; F207-M250 HydrophobicContact CE2-CB 4.49Å; F207-M250 HydrophobicContact CE2-CG 4.26Å; F207-M250 HydrophobicContact CG-CB 3.94Å; F207-M250 HydrophobicContact CG-CE 4.25Å; F207-M250 HydrophobicContact CG-CG 4.05Å; F207-M250 HydrophobicContact CZ-CG 3.87Å; L210-M250 HydrophobicContact CB-CE 4.44Å; L210-M250 HydrophobicContact CD1-CE 3.37Å; S246-M250 PolarHBondContact O-N 3.39Å; I247-M250 PolarHBondContact O-N 2.99Å; G248-M250 PolarHBondContact O-N 3.07Å; M250-S252 PolarHBondContact O-N 3.08Å; M250-K253 WeakPolarHBondContact O-CA 3.09Å; M250-K253 WeakPolarHBondContact O-CB 3.44Å; M250-K253 PolarHBondContact O-N 3.43Å; M250-L254 HydrophobicContact CG-CD1 3.86Å; M250-L254 HydrophobicContact CG-CG 4.28Å; M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 3.42Å; M250-L254 HydrophobicContact SD-CD1 4.19Å; M250-L254 HydrophobicContact SD-CG 4.06Å; M250-W299 HydrophobicContact CG-CZ2 4.21Å
251F85.2Confident79Confident9 Ų959.2 Ų59.24%0.03932%0.323CS..Hα-helixtrans-53.7-53.8175.5-175.2-81.3000111.1I247 G248 K253 L254 D255 L260 L262 T296 W299I247-F251 PolarHBondContact O-N 2.74Å; I247-F251 VanDerWaalsContact O-N 3.09Å; G248-F251 WeakPolarHBondContact O-CB 3.18Å; G248-F251 PolarHBondContact O-N 3.32Å; F251-K253 PolarHBondContact O-N 2.02Å; F251-K253 VanDerWaalsContact O-N 3.08Å; F251-L254 PolarHBondContact O-N 2.88Å; F251-D255 HydrophobicContact CD1-CB 4.29Å; F251-D255 HydrophobicContact CE1-CB 3.95Å; F251-D255 WeakPolarHBondContact O-CB 3.4Å; F251-D255 PolarHBondContact O-N 2.87Å; F251-L260 WeakPolarHBondContact CZ-O 3.39Å; F251-L262 HydrophobicContact CD2-CD1 3.49Å; F251-L262 VanDerWaalsContact CD2-CD1 3.49Å; F251-L262 HydrophobicContact CD2-CG 3.88Å; F251-L262 HydrophobicContact CE2-CD1 3.55Å; F251-L262 HydrophobicContact CE2-CD2 4.29Å; F251-L262 HydrophobicContact CE2-CG 3.46Å; F251-L262 VanDerWaalsContact CE2-CG 3.46Å; F251-L262 HydrophobicContact CG-CD1 4.39Å; F251-L262 HydrophobicContact CZ-CD1 4.42Å; F251-L262 HydrophobicContact CZ-CD2 4.39Å; F251-L262 HydrophobicContact CZ-CG 3.89Å; F251-T296 HydrophobicContact CD1-CG2 3.72Å; F251-T296 HydrophobicContact CD2-CG2 4.49Å; F251-T296 HydrophobicContact CE1-CG2 3.18Å; F251-T296 HydrophobicContact CE2-CG2 3.99Å; F251-T296 HydrophobicContact CG-CG2 4.37Å; F251-T296 HydrophobicContact CZ-CG2 3.33Å; F251-W299 HydrophobicContact CB-CG 4.44Å; F251-W299 HydrophobicContact CD2-CB 3.68Å; F251-W299 AromaticContact CD2-CD1 3.67Å; F251-W299 AromaticContact CD2-CD2 3.96Å; F251-W299 HydrophobicContact CD2-CD2 3.96Å; F251-W299 AromaticContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CE2-CB 3.98Å; F251-W299 HydrophobicContact CE2-CG 4.27Å; F251-W299 HydrophobicContact CG-CG 4.41Å
252S83.8Confident80.8Confident77 Ų7755.6 Ų55.654%0.53829%0.294SS..Hα-helixtrans-62-19.5178.4173.70000113.5G248 M250G248-S252 PolarHBondContact O-N 3.06Å; M250-S252 PolarHBondContact O-N 3.08Å
253K82.5Confident82.3Confident102 Ų10254.9 Ų54.944%0.44329%0.285SS..Hα-helixtrans-87.6-27.2177.2-166.459178.1173.80113W249 M250 F251W249-K253 PolarHBondContact O-N 2.83Å; M250-K253 WeakPolarHBondContact O-CA 3.09Å; M250-K253 WeakPolarHBondContact O-CB 3.44Å; M250-K253 PolarHBondContact O-N 3.43Å; F251-K253 PolarHBondContact O-N 2.02Å; F251-K253 VanDerWaalsContact O-N 3.08Å
254L82.3Confident82.9Confident9 Ų958.7 Ų58.75%0.04730%0.301CS..Hα-helixtrans-84.5-38.8176.4-68.9170.1000111.3M250 F251 T256 L262 A269 I270 W299M250-L254 HydrophobicContact CG-CD1 3.86Å; M250-L254 HydrophobicContact CG-CG 4.28Å; M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 3.42Å; M250-L254 HydrophobicContact SD-CD1 4.19Å; M250-L254 HydrophobicContact SD-CG 4.06Å; F251-L254 PolarHBondContact O-N 2.88Å; L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.18Å; L254-T256 PolarHBondContact O-OG1 3.01Å; L254-T256 VanDerWaalsContact O-OG1 3.08Å; L254-L262 HydrophobicContact CB-CD1 4.46Å; L254-L262 HydrophobicContact CB-CD2 3.6Å; L254-L262 HydrophobicContact CD1-CD1 4.37Å; L254-A269 HydrophobicContact CD2-CB 4.16Å; L254-I270 HydrophobicContact CD1-CD1 4.24Å; L254-I270 HydrophobicContact CD2-CB 4.3Å; L254-W299 HydrophobicContact CD1-CH2 3.86Å; L254-W299 HydrophobicContact CD1-CZ2 4.32Å
255D83.9Confident83.3Confident6 Ų657 Ų573%0.03231%0.307CS..  trans-67.288.9174.7-176.13.2000109.5F251 N257 N258 D259 L260 L262F251-D255 HydrophobicContact CD1-CB 4.29Å; F251-D255 HydrophobicContact CE1-CB 3.95Å; F251-D255 WeakPolarHBondContact O-CB 3.4Å; F251-D255 PolarHBondContact O-N 2.87Å; D255-N257 PolarHBondContact OD1-OD1 3.12Å; D255-N258 VanDerWaalsContact CG-CA 3.45Å; D255-N258 WeakPolarHBondContact OD1-CA 3.38Å; D255-N258 PolarHBondContact OD1-N 3.42Å; D255-N258 WeakPolarHBondContact OD2-CA 3.36Å; D255-D259 PolarHBondContact OD1-N 3.04Å; D255-L260 WeakPolarHBondContact OD2-CA 3.39Å; D255-L260 PolarHBondContact OD2-N 3.34Å; D255-L262 HydrophobicContact CB-CD2 3.96Å
256T80.5Confident83.5Confident110 Ų11051.9 Ų51.968%0.67528%0.279SS*.SBendtrans-87.3-30-172.7-57.60000110.2L254 N258 E266L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.18Å; L254-T256 PolarHBondContact O-OG1 3.01Å; L254-T256 VanDerWaalsContact O-OG1 3.08Å; T256-N258 VanDerWaalsContact C-N 3.34Å; T256-E266 PolarHBondContact N-OE1 3.11Å
257N80.8Confident83.4Confident81 Ų8152.1 Ų52.143%0.43328%0.28SS..SBendtrans-85.2-8.3176.367.421.8000112.6D255 D259 E266D255-N257 PolarHBondContact OD1-OD1 3.12Å; N257-D259 VanDerWaalsContact C-N 3.25Å; N257-D259 PolarHBondContact ND2-OD2 3.06Å; N257-D259 PolarHBondContact O-N 3.44Å; N257-D259 VanDerWaalsContact OD1-CB 3.3Å; N257-D259 WeakPolarHBondContact OD1-CB 3.4Å; N257-D259 PolarHBondContact OD1-N 3.2Å; N257-D259 PolarHBondContact OD1-OD1 3.01Å; N257-E266 VanDerWaalsContact CG-OE1 3.29Å; N257-E266 PolarHBondContact N-OE1 3.33Å; N257-E266 PolarHBondContact ND2-OE1 3.43Å; N257-E266 PolarHBondContact OD1-OE1 2.94Å
258N81Confident82.9Confident115 Ų11554.2 Ų54.262%0.61530%0.298SS*.  trans55.834.4-177.2-59.3-78.3000113.2D255 T256 L260D255-N258 VanDerWaalsContact CG-CA 3.45Å; D255-N258 WeakPolarHBondContact OD1-CA 3.38Å; D255-N258 PolarHBondContact OD1-N 3.42Å; D255-N258 WeakPolarHBondContact OD2-CA 3.36Å; T256-N258 VanDerWaalsContact C-N 3.34Å; N258-L260 VanDerWaalsContact C-N 3.31Å
259D85.9Confident82.4Confident57 Ų5755.7 Ų55.731%0.30531%0.308SS..SBendtrans-86.8-1.4-179.481.40.6000113.3D255 N257 Y261 K293D255-D259 PolarHBondContact OD1-N 3.04Å; N257-D259 VanDerWaalsContact C-N 3.25Å; N257-D259 PolarHBondContact ND2-OD2 3.06Å; N257-D259 PolarHBondContact O-N 3.44Å; N257-D259 VanDerWaalsContact OD1-CB 3.3Å; N257-D259 WeakPolarHBondContact OD1-CB 3.4Å; N257-D259 PolarHBondContact OD1-N 3.2Å; N257-D259 PolarHBondContact OD1-OD1 3.01Å; D259-Y261 WeakPolarHBondContact O-CD2 3.05Å; D259-Y261 PolarHBondContact O-N 3.09Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.02Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.07Å; D259-Y261 PolarHBondContact OD1-N 3.01Å; D259-K293 IonicContact OD2-NZ 3.79Å
260L85.3Confident81.7Confident81 Ų8152 Ų5242%0.42430%0.295SS..SBendtrans66.215.2-176.5-53.5175.6000114.5F251 D255 N258 T296F251-L260 WeakPolarHBondContact CZ-O 3.39Å; D255-L260 WeakPolarHBondContact OD2-CA 3.39Å; D255-L260 PolarHBondContact OD2-N 3.34Å; N258-L260 VanDerWaalsContact C-N 3.31Å; L260-T296 HydrophobicContact CB-CG2 4.03Å; L260-T296 HydrophobicContact CD2-CG2 4.1Å; L260-T296 PolarHBondContact O-N 2.98Å
261Y88.8Confident80.7Confident100 Ų10053.2 Ų53.239%0.39230%0.302SS..EExtended strand (participates in β ladder)trans-123.6152.2168.8-62-94.4000108.8D259 K293D259-Y261 WeakPolarHBondContact O-CD2 3.05Å; D259-Y261 PolarHBondContact O-N 3.09Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.02Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.07Å; D259-Y261 PolarHBondContact OD1-N 3.01Å; Y261-K293 HydrophobicContact CD1-CB 4.28Å; Y261-K293 HydrophobicContact CG-CD 4.48Å
262L86.6Confident79.7Confident0 Ų054.9 Ų54.90%031%0.311CS..EExtended strand (participates in β ladder)trans-106.8112.8169.9-65.3174.2000108.1F251 L254 D255 E266 L267 K293 V294 W299F251-L262 HydrophobicContact CD2-CD1 3.49Å; F251-L262 VanDerWaalsContact CD2-CD1 3.49Å; F251-L262 HydrophobicContact CD2-CG 3.88Å; F251-L262 HydrophobicContact CE2-CD1 3.55Å; F251-L262 HydrophobicContact CE2-CD2 4.29Å; F251-L262 HydrophobicContact CE2-CG 3.46Å; F251-L262 VanDerWaalsContact CE2-CG 3.46Å; F251-L262 HydrophobicContact CG-CD1 4.39Å; F251-L262 HydrophobicContact CZ-CD1 4.42Å; F251-L262 HydrophobicContact CZ-CD2 4.39Å; F251-L262 HydrophobicContact CZ-CG 3.89Å; L254-L262 HydrophobicContact CB-CD1 4.46Å; L254-L262 HydrophobicContact CB-CD2 3.6Å; L254-L262 HydrophobicContact CD1-CD1 4.37Å; D255-L262 HydrophobicContact CB-CD2 3.96Å; L262-E266 HydrophobicContact CD2-CB 4.3Å; L262-L267 HydrophobicContact CB-CD1 4.41Å; L262-L267 HydrophobicContact CB-CD2 4.09Å; L262-L267 HydrophobicContact CB-CG 3.97Å; L262-L267 HydrophobicContact CD1-CD2 4.08Å; L262-K293 WeakPolarHBondContact O-CA 2.93Å; L262-V294 HydrophobicContact CB-CB 4.47Å; L262-V294 PolarHBondContact N-O 2.97Å; L262-V294 PolarHBondContact O-N 3.49Å; L262-W299 HydrophobicContact CD1-CD2 4.08Å; L262-W299 HydrophobicContact CD1-CE3 3.58Å; L262-W299 HydrophobicContact CD1-CH2 4.4Å; L262-W299 HydrophobicContact CD1-CZ3 3.75Å
263D86.2Confident78.3Confident49 Ų4954.2 Ų54.226%0.26230%0.301SS..  trans-79.1171.2173.47916.9000111.9A265 E266 L267D263-A265 PolarHBondContact O-N 2.95Å; D263-A265 WeakPolarHBondContact OD1-CA 3.44Å; D263-A265 WeakPolarHBondContact OD1-CB 3.17Å; D263-A265 PolarHBondContact OD1-N 3.3Å; D263-E266 PolarHBondContact N-OE2 3.45Å; D263-E266 VanDerWaalsContact N-OE2 3.15Å; D263-E266 PolarHBondContact O-N 3.36Å; D263-E266 WeakPolarHBondContact OD1-CG 3.23Å; D263-E266 PolarHBondContact OD1-N 3.21Å; D263-L267 WeakPolarHBondContact O-CB 3.35Å; D263-L267 WeakPolarHBondContact O-CG 3.46Å; D263-L267 PolarHBondContact O-N 3.22Å
264Q80.6Confident77Confident89 Ų8958.5 Ų58.542%0.41632%0.32SS..THydrogen-bonded Turntrans-62.2-24.6-179.7-17659.690.700113.2A268Q264-A268 WeakPolarHBondContact O-CB 3.32Å; Q264-A268 PolarHBondContact O-N 2.99Å
265A80.4Confident76Confident70 Ų7065.3 Ų65.358%0.57935%0.346SS*.THydrogen-bonded Turntrans-81.5-37.3179.200000111.8D263 A268 A269D263-A265 PolarHBondContact O-N 2.95Å; D263-A265 WeakPolarHBondContact OD1-CA 3.44Å; D263-A265 WeakPolarHBondContact OD1-CB 3.17Å; D263-A265 PolarHBondContact OD1-N 3.3Å; A265-A268 WeakPolarHBondContact O-CA 3.44Å; A265-A268 VanDerWaalsContact O-CB 3.29Å; A265-A268 WeakPolarHBondContact O-CB 3.26Å; A265-A268 PolarHBondContact O-N 3.29Å; A265-A268 VanDerWaalsContact O-N 3.11Å; A265-A269 PolarHBondContact O-N 3.12Å
266E82.7Confident75.4Confident16 Ų1667.4 Ų67.48%0.07536%0.356CS..THydrogen-bonded Turntrans-69.8-40.2172.8-69.5174.313900111T256 N257 L262 D263 A268 A269T256-E266 PolarHBondContact N-OE1 3.11Å; N257-E266 VanDerWaalsContact CG-OE1 3.29Å; N257-E266 PolarHBondContact N-OE1 3.33Å; N257-E266 PolarHBondContact ND2-OE1 3.43Å; N257-E266 PolarHBondContact OD1-OE1 2.94Å; L262-E266 HydrophobicContact CD2-CB 4.3Å; D263-E266 PolarHBondContact N-OE2 3.45Å; D263-E266 VanDerWaalsContact N-OE2 3.15Å; D263-E266 PolarHBondContact O-N 3.36Å; D263-E266 WeakPolarHBondContact OD1-CG 3.23Å; D263-E266 PolarHBondContact OD1-N 3.21Å; E266-A268 PolarHBondContact O-N 3.4Å; E266-A269 VanDerWaalsContact O-CB 3.24Å; E266-A269 WeakPolarHBondContact O-CB 3.46Å; E266-A269 PolarHBondContact O-N 3.14Å; E266-A269 VanDerWaalsContact O-N 3.14Å
267L79.1Confident75.3Confident9 Ų966.2 Ų66.25%0.04735%0.348CS..G310 helixtrans-66-24.1168.1-69.5169.3000111.9L262 D263 A269 I270 F283 V294 W299L262-L267 HydrophobicContact CB-CD1 4.41Å; L262-L267 HydrophobicContact CB-CD2 4.09Å; L262-L267 HydrophobicContact CB-CG 3.97Å; L262-L267 HydrophobicContact CD1-CD2 4.08Å; D263-L267 WeakPolarHBondContact O-CB 3.35Å; D263-L267 WeakPolarHBondContact O-CG 3.46Å; D263-L267 PolarHBondContact O-N 3.22Å; L267-A269 PolarHBondContact O-N 3.12Å; L267-I270 WeakPolarHBondContact O-CG2 3.5Å; L267-I270 PolarHBondContact O-N 3.46Å; L267-F283 HydrophobicContact CD1-CB 4.22Å; L267-F283 HydrophobicContact CD1-CG 4.48Å; L267-F283 HydrophobicContact CD2-CD1 4.14Å; L267-F283 HydrophobicContact CD2-CD2 4.14Å; L267-F283 HydrophobicContact CD2-CE1 4.35Å; L267-F283 HydrophobicContact CD2-CE2 4.31Å; L267-F283 HydrophobicContact CD2-CG 4.05Å; L267-F283 HydrophobicContact CD2-CZ 4.42Å; L267-V294 HydrophobicContact CD1-CG2 4.09Å; L267-W299 HydrophobicContact CD2-CZ3 4Å
268A72.9Confident75.4Confident47 Ų4763.4 Ų63.439%0.38833%0.334SS..G310 helixtrans-71-17.4175.100000112.7Q264 A265 E266 I270 N271Q264-A268 WeakPolarHBondContact O-CB 3.32Å; Q264-A268 PolarHBondContact O-N 2.99Å; A265-A268 WeakPolarHBondContact O-CA 3.44Å; A265-A268 VanDerWaalsContact O-CB 3.29Å; A265-A268 WeakPolarHBondContact O-CB 3.26Å; A265-A268 PolarHBondContact O-N 3.29Å; A265-A268 VanDerWaalsContact O-N 3.11Å; E266-A268 PolarHBondContact O-N 3.4Å; A268-I270 VanDerWaalsContact C-N 3.29Å; A268-I270 PolarHBondContact O-N 2.91Å; A268-N271 WeakPolarHBondContact O-CB 3.35Å; A268-N271 PolarHBondContact O-N 3.06Å; A268-N271 VanDerWaalsContact O-N 3.12Å
269A73.3Confident75.4Confident48 Ų4858 Ų5840%0.39731%0.305SS..G310 helixtrans-68.4-31172.700000112.5M39 L254 A265 E266 L267M39-A269 HydrophobicContact CE-CB 3.61Å; M39-A269 HydrophobicContact SD-CB 3.65Å; L254-A269 HydrophobicContact CD2-CB 4.16Å; A265-A269 PolarHBondContact O-N 3.12Å; E266-A269 VanDerWaalsContact O-CB 3.24Å; E266-A269 WeakPolarHBondContact O-CB 3.46Å; E266-A269 PolarHBondContact O-N 3.14Å; E266-A269 VanDerWaalsContact O-N 3.14Å; L267-A269 PolarHBondContact O-N 3.12Å
270I70.6Confident75.2Confident7 Ų761 Ų614%0.03631%0.312CS..G310 helixtrans-83.5-2.2173-155.9165.1000112.1L203 W206 F207 L254 L267 A268 L272 I279 F283L203-I270 HydrophobicContact CD2-CD1 4.34Å; W206-I270 HydrophobicContact CH2-CG1 4.34Å; W206-I270 HydrophobicContact CZ3-CD1 3.83Å; W206-I270 HydrophobicContact CZ3-CG1 3.83Å; F207-I270 HydrophobicContact CE1-CD1 3.54Å; F207-I270 HydrophobicContact CZ-CD1 3.6Å; L254-I270 HydrophobicContact CD1-CD1 4.24Å; L254-I270 HydrophobicContact CD2-CB 4.3Å; L267-I270 WeakPolarHBondContact O-CG2 3.5Å; L267-I270 PolarHBondContact O-N 3.46Å; A268-I270 VanDerWaalsContact C-N 3.29Å; A268-I270 PolarHBondContact O-N 2.91Å; I270-L272 VanDerWaalsContact C-N 3.35Å; I270-L272 WeakPolarHBondContact O-CD1 3.28Å; I270-L272 PolarHBondContact O-N 3.47Å; I270-I279 HydrophobicContact CG2-CD1 4.16Å; I270-I279 WeakPolarHBondContact O-CD1 3.49Å; I270-F283 HydrophobicContact CD1-CZ 4.46Å; I270-F283 HydrophobicContact CG2-CE2 3.76Å; I270-F283 HydrophobicContact CG2-CZ 4.24Å
271N62.7Low75.1Confident36 Ų3659.6 Ų59.619%0.19331%0.308CS..  trans-71.191.1-168.9-126.9-17.1000111.6A268 D273 I279 R280A268-N271 WeakPolarHBondContact O-CB 3.35Å; A268-N271 PolarHBondContact O-N 3.06Å; A268-N271 VanDerWaalsContact O-N 3.12Å; N271-D273 PolarHBondContact ND2-OD2 3.47Å; N271-D273 PolarHBondContact O-N 3.26Å; N271-D273 PolarHBondContact OD1-OD1 3.34Å; N271-D273 PolarHBondContact OD1-OD2 2.94Å; N271-I279 WeakPolarHBondContact OD1-CG2 3.4Å; N271-R280 PolarHBondContact ND2-NE 3.47Å; N271-R280 PolarHBondContact ND2-NH2 3.24Å
272L64.1Low75Confident43 Ų4355.2 Ų55.223%0.22529%0.291CS..  trans-74.134.1162.9-71.1122.3000110.6I270 K274 Y275 E276 I279I270-L272 VanDerWaalsContact C-N 3.35Å; I270-L272 WeakPolarHBondContact O-CD1 3.28Å; I270-L272 PolarHBondContact O-N 3.47Å; L272-K274 PolarHBondContact O-N 3.48Å; L272-Y275 HydrophobicContact CD2-CD2 4.27Å; L272-Y275 CarbonylContact O-C 3.56Å; L272-Y275 WeakPolarHBondContact O-CA 3.06Å; L272-Y275 PolarHBondContact O-N 3.19Å; L272-E276 PolarHBondContact O-N 3Å; L272-I279 HydrophobicContact CD1-CD1 4.44Å
273D54.5Low74.9Confident63 Ų6355.7 Ų55.734%0.33729%0.293SS..THydrogen-bonded Turntrans-50.4-26-175.9-83.2-39.8000113.3N271 Y275 R280N271-D273 PolarHBondContact ND2-OD2 3.47Å; N271-D273 PolarHBondContact O-N 3.26Å; N271-D273 PolarHBondContact OD1-OD1 3.34Å; N271-D273 PolarHBondContact OD1-OD2 2.94Å; D273-Y275 VanDerWaalsContact C-N 3.27Å; D273-Y275 PolarHBondContact O-N 3.02Å; D273-R280 IonicContact OD1-CZ 3.94Å; D273-R280 IonicContact OD1-NE 2.68Å; D273-R280 PolarHBondContact OD1-NE 3Å; D273-R280 IonicContact OD1-NH2 3.35Å; D273-R280 IonicContact OD2-CZ 3.69Å; D273-R280 IonicContact OD2-NE 3.7Å; D273-R280 PolarHBondContact OD2-NE 3.33Å; D273-R280 IonicContact OD2-NH2 2.72Å; D273-R280 PolarHBondContact OD2-NH2 3.46Å
274K55.3Low74.8Confident192 Ų19258 Ų5884%0.83531%0.306SS*.THydrogen-bonded Turntrans-74.4-14.7176.1-67.6-174.8-179.2177.80114.2L272L272-K274 PolarHBondContact O-N 3.48Å
275Y60.9Low75Confident153 Ų15356.6 Ų56.660%0.631%0.306SS*.THydrogen-bonded Turntrans-129.1-27-171.6-57.8-73.6000113.2L272 D273L272-Y275 HydrophobicContact CD2-CD2 4.27Å; L272-Y275 CarbonylContact O-C 3.56Å; L272-Y275 WeakPolarHBondContact O-CA 3.06Å; L272-Y275 PolarHBondContact O-N 3.19Å; D273-Y275 VanDerWaalsContact C-N 3.27Å; D273-Y275 PolarHBondContact O-N 3.02Å
276E71.3Confident75.2Confident50 Ų5053.5 Ų53.523%0.23428%0.28CS..  trans-134.2103.7-178.4-64.1-67.1158.200111L199 R202 L272 C278 I279L199-E276 HydrophobicContact CD1-CB 4.5Å; L199-E276 HydrophobicContact CD1-CG 4.27Å; R202-E276 IonicContact CZ-OE1 3.78Å; R202-E276 IonicContact CZ-OE2 2.78Å; R202-E276 IonicContact NH1-OE1 3.7Å; R202-E276 PolarHBondContact NH1-OE1 3.43Å; R202-E276 IonicContact NH1-OE2 3.72Å; R202-E276 PolarHBondContact NH1-OE2 3.47Å; R202-E276 IonicContact NH2-OE1 2.83Å; R202-E276 IonicContact NH2-OE2 3.2Å; R202-E276 PolarHBondContact NH2-OE2 3.37Å; L272-E276 PolarHBondContact O-N 3Å; E276-C278 PolarHBondContact O-N 2.93Å; E276-I279 WeakPolarHBondContact O-CG2 3.4Å
277V77.9Confident75.4Confident85 Ų8553.4 Ų53.452%0.51528%0.28SS..THydrogen-bonded Turntrans-69.3-23.8-179.7-178.50000112.1E189E189-V277 HydrophobicContact CB-CG1 4.26Å
278C82.4Confident75.7Confident21 Ų2156.8 Ų56.814%0.14230%0.304CS..THydrogen-bonded Turntrans-910.7-172.1-64.30000115.4C191 L196 L199 E276 P281 F282C191-C278 HydrophobicContact CB-CB 3.83Å; C191-C278 WeakPolarHBondContact CB-SG 3.34Å; C191-C278 WeakPolarHBondContact SG-CA 3.45Å; C191-C278 WeakPolarHBondContact SG-CB 3.33Å; C191-C278 CovalentContact SG-SG 2.03Å; C191-C278 PolarHBondContact SG-SG 2.75Å; L196-C278 HydrophobicContact CD2-CB 4.11Å; L199-C278 VanDerWaalsContact CD2-C 3.4Å; L199-C278 HydrophobicContact CD2-CB 3.92Å; L199-C278 WeakPolarHBondContact CD2-O 3.49Å; E276-C278 PolarHBondContact O-N 2.93Å; C278-P281 WeakPolarHBondContact O-CD 3.45Å; C278-F282 WeakPolarHBondContact O-CB 3.48Å; C278-F282 PolarHBondContact O-N 2.77Å
279I82.3Confident76.1Confident2 Ų263 Ų631%0.0132%0.319CS..Hα-helixtrans-68.4-40.7-176.4-163.4164.1000113.3L199 I270 N271 L272 E276 F282 F283L199-I279 HydrophobicContact CD2-CB 4.18Å; I270-I279 HydrophobicContact CG2-CD1 4.16Å; I270-I279 WeakPolarHBondContact O-CD1 3.49Å; N271-I279 WeakPolarHBondContact OD1-CG2 3.4Å; L272-I279 HydrophobicContact CD1-CD1 4.44Å; E276-I279 WeakPolarHBondContact O-CG2 3.4Å; I279-F282 WeakPolarHBondContact O-CB 3.3Å; I279-F282 PolarHBondContact O-N 3.45Å; I279-F283 HydrophobicContact CD1-CE2 4.1Å; I279-F283 HydrophobicContact CG1-CD2 3.97Å; I279-F283 HydrophobicContact CG1-CE2 3.48Å; I279-F283 VanDerWaalsContact CG1-CE2 3.48Å; I279-F283 HydrophobicContact CG1-CZ 4.47Å; I279-F283 WeakPolarHBondContact O-CD2 3.38Å; I279-F283 PolarHBondContact O-N 3.2Å; I279-F283 VanDerWaalsContact O-N 3.13Å
280R80.8Confident76.6Confident119 Ų11971.3 Ų71.345%0.44934%0.34SS..Hα-helixtrans-70.7-48177-52.5176.5176.8-149-5.9111.8N271 D273 F282 F283 N284N271-R280 PolarHBondContact ND2-NE 3.47Å; N271-R280 PolarHBondContact ND2-NH2 3.24Å; D273-R280 IonicContact OD1-CZ 3.94Å; D273-R280 IonicContact OD1-NE 2.68Å; D273-R280 PolarHBondContact OD1-NE 3Å; D273-R280 IonicContact OD1-NH2 3.35Å; D273-R280 IonicContact OD2-CZ 3.69Å; D273-R280 IonicContact OD2-NE 3.7Å; D273-R280 PolarHBondContact OD2-NE 3.33Å; D273-R280 IonicContact OD2-NH2 2.72Å; D273-R280 PolarHBondContact OD2-NH2 3.46Å; R280-F282 PolarHBondContact O-N 3.04Å; R280-F283 PolarHBondContact O-N 2.89Å; R280-N284 WeakPolarHBondContact O-CB 3.4Å; R280-N284 PolarHBondContact O-N 3.22Å; R280-N284 PolarHBondContact O-ND2 2.87Å; R280-N284 PolarHBondContact O-OD1 3.29Å
281P84.5Confident77.3Confident52 Ų5275 Ų7534%0.33836%0.36SS..Hα-helixtrans-56.4-35171.6-26.235000113.6L196 C278 S285L196-P281 HydrophobicContact CD2-CB 4.14Å; C278-P281 WeakPolarHBondContact O-CD 3.45Å; P281-S285 PolarHBondContact O-N 3.39Å
282F84.9Confident78.3Confident9 Ų975.7 Ų75.74%0.03938%0.375CS..Hα-helixtrans-63.7-53.3177.2176.2-96.8000112.2L196 L199 L203 C278 I279 R280 N284 S285 C286 F303L196-F282 HydrophobicContact CB-CD2 4.13Å; L196-F282 HydrophobicContact CD2-CB 3.87Å; L196-F282 WeakPolarHBondContact O-CD2 3.5Å; L196-F282 VanDerWaalsContact O-CE2 3.23Å; L196-F282 WeakPolarHBondContact O-CE2 3.23Å; L199-F282 HydrophobicContact CD2-CB 3.94Å; L199-F282 HydrophobicContact CD2-CG 4.31Å; L203-F282 HydrophobicContact CD1-CD1 4.27Å; L203-F282 HydrophobicContact CD1-CE1 4.13Å; C278-F282 WeakPolarHBondContact O-CB 3.48Å; C278-F282 PolarHBondContact O-N 2.77Å; I279-F282 WeakPolarHBondContact O-CB 3.3Å; I279-F282 PolarHBondContact O-N 3.45Å; R280-F282 PolarHBondContact O-N 3.04Å; F282-N284 VanDerWaalsContact C-N 3.28Å; F282-N284 PolarHBondContact O-N 3.2Å; F282-S285 WeakPolarHBondContact O-CA 3.42Å; F282-S285 WeakPolarHBondContact O-CB 2.89Å; F282-S285 PolarHBondContact O-N 2.99Å; F282-S285 PolarHBondContact O-OG 3.41Å; F282-C286 PolarHBondContact O-N 3.37Å; F282-C286 VanDerWaalsContact O-N 3.11Å; F282-C286 PolarHBondContact O-SG 3.27Å; F282-F303 AromaticContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE2 4.45Å; F282-F303 AromaticContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CZ-CD1 4.29Å; F282-F303 AromaticContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CZ 4.1Å
283F85.4Confident79.4Confident9 Ų977.3 Ų77.34%0.03938%0.381CS..Hα-helixtrans-66.4-32179.1-68.3-58.1000112.9L203 L267 I270 I279 R280 S285 C286 D287 W299 F303L203-F283 HydrophobicContact CD1-CZ 4.06Å; L267-F283 HydrophobicContact CD1-CB 4.22Å; L267-F283 HydrophobicContact CD1-CG 4.48Å; L267-F283 HydrophobicContact CD2-CD1 4.14Å; L267-F283 HydrophobicContact CD2-CD2 4.14Å; L267-F283 HydrophobicContact CD2-CE1 4.35Å; L267-F283 HydrophobicContact CD2-CE2 4.31Å; L267-F283 HydrophobicContact CD2-CG 4.05Å; L267-F283 HydrophobicContact CD2-CZ 4.42Å; I270-F283 HydrophobicContact CD1-CZ 4.46Å; I270-F283 HydrophobicContact CG2-CE2 3.76Å; I270-F283 HydrophobicContact CG2-CZ 4.24Å; I279-F283 HydrophobicContact CD1-CE2 4.1Å; I279-F283 HydrophobicContact CG1-CD2 3.97Å; I279-F283 HydrophobicContact CG1-CE2 3.48Å; I279-F283 VanDerWaalsContact CG1-CE2 3.48Å; I279-F283 HydrophobicContact CG1-CZ 4.47Å; I279-F283 WeakPolarHBondContact O-CD2 3.38Å; I279-F283 PolarHBondContact O-N 3.2Å; I279-F283 VanDerWaalsContact O-N 3.13Å; R280-F283 PolarHBondContact O-N 2.89Å; F283-S285 PolarHBondContact O-N 3.08Å; F283-C286 WeakPolarHBondContact O-CB 3.33Å; F283-C286 PolarHBondContact O-N 3.39Å; F283-C286 VanDerWaalsContact O-N 3.08Å; F283-D287 PolarHBondContact O-N 2.85Å; F283-D287 VanDerWaalsContact O-N 3.17Å; F283-W299 HydrophobicContact CD1-CE3 4.4Å; F283-W299 AromaticContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CE1-CE3 4Å; F283-W299 AromaticContact CE1-CH2 3.79Å; F283-W299 HydrophobicContact CE1-CH2 3.79Å; F283-W299 AromaticContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CZ-CH2 4.03Å; F283-W299 AromaticContact CZ-CZ3 3.81Å; F283-W299 HydrophobicContact CZ-CZ3 3.81Å; F283-F303 HydrophobicContact CE1-CE2 4.14Å; F283-F303 AromaticContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CZ-CZ 4.36Å
284N84.5Confident81.1Confident98 Ų9874.5 Ų74.552%0.52437%0.366SS..Hα-helixtrans-65.6-27.1171-66.3-7.9000112.8R280 F282 C286R280-N284 WeakPolarHBondContact O-CB 3.4Å; R280-N284 PolarHBondContact O-N 3.22Å; R280-N284 PolarHBondContact O-ND2 2.87Å; R280-N284 PolarHBondContact O-OD1 3.29Å; F282-N284 VanDerWaalsContact C-N 3.28Å; F282-N284 PolarHBondContact O-N 3.2Å; N284-C286 VanDerWaalsContact C-N 3.35Å
285S84.4Confident82.7Confident60 Ų6066 Ų6642%0.4233%0.33SS..Hα-helixtrans-79.5-20.217378.50000113.1P281 F282 F283P281-S285 PolarHBondContact O-N 3.39Å; F282-S285 WeakPolarHBondContact O-CA 3.42Å; F282-S285 WeakPolarHBondContact O-CB 2.89Å; F282-S285 PolarHBondContact O-N 2.99Å; F282-S285 PolarHBondContact O-OG 3.41Å; F283-S285 PolarHBondContact O-N 3.08Å
286C84.7Confident83.8Confident4 Ų460 Ų603%0.02731%0.31CS..Hα-helixtrans-78.5-29.7174.5-57.70000112.3F282 F283 N284 S288 C302F282-C286 PolarHBondContact O-N 3.37Å; F282-C286 VanDerWaalsContact O-N 3.11Å; F282-C286 PolarHBondContact O-SG 3.27Å; F283-C286 WeakPolarHBondContact O-CB 3.33Å; F283-C286 PolarHBondContact O-N 3.39Å; F283-C286 VanDerWaalsContact O-N 3.08Å; N284-C286 VanDerWaalsContact C-N 3.35Å; C286-S288 PolarHBondContact O-N 3.32Å; C286-S288 PolarHBondContact O-OG 3.35Å; C286-C302 HydrophobicContact CB-CB 3.46Å; C286-C302 VanDerWaalsContact CB-CB 3.46Å; C286-C302 WeakPolarHBondContact CB-SG 3.23Å; C286-C302 WeakPolarHBondContact SG-CB 3.48Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.39Å
287D87.9Confident84.4Confident15 Ų1559.6 Ų59.68%0.0832%0.315CS..  trans-70.895176.9-1793.4000110.4F283 Y289 R290 D291 G292 V294F283-D287 PolarHBondContact O-N 2.85Å; F283-D287 VanDerWaalsContact O-N 3.17Å; D287-Y289 PolarHBondContact OD1-N 2.79Å; D287-R290 VanDerWaalsContact CG-CA 3.44Å; D287-R290 VanDerWaalsContact OD1-CA 3.25Å; D287-R290 WeakPolarHBondContact OD1-CA 3.3Å; D287-R290 PolarHBondContact OD1-N 2.74Å; D287-R290 VanDerWaalsContact OD2-C 3.3Å; D287-R290 WeakPolarHBondContact OD2-CA 3.25Å; D287-D291 PolarHBondContact OD1-N 3.22Å; D287-D291 PolarHBondContact OD2-N 3.22Å; D287-D291 VanDerWaalsContact OD2-N 3.13Å; D287-G292 WeakPolarHBondContact OD2-CA 3.23Å; D287-G292 PolarHBondContact OD2-N 3.05Å; D287-V294 HydrophobicContact CB-CG2 4.44Å
288S83.8Confident84.8Confident79 Ų7955.9 Ų55.955%0.55229%0.292SS*.SBendtrans-76.6-32.9-177.2-61.50000111.2C286 E298C286-S288 PolarHBondContact O-N 3.32Å; C286-S288 PolarHBondContact O-OG 3.35Å; S288-E298 WeakPolarHBondContact CA-OE1 3.3Å; S288-E298 WeakPolarHBondContact CB-OE1 2.91Å; S288-E298 PolarHBondContact N-OE1 2.97Å
289Y82.8Confident85Confident179 Ų17954.9 Ų54.970%0.70229%0.285SS*.SBendtrans-82.8-13.7177.9-61.7-66.1000113.5D287 D291 E298D287-Y289 PolarHBondContact OD1-N 2.79Å; Y289-D291 PolarHBondContact O-N 3.44Å; Y289-E298 HydrophobicContact CD2-CG 4.4Å; Y289-E298 WeakPolarHBondContact CD2-OE1 3.46Å; Y289-E298 HydrophobicContact CE2-CG 4.38Å; Y289-E298 PolarHBondContact N-OE1 3.2Å; Y289-E298 VanDerWaalsContact N-OE1 3.13Å
290R83.1Confident85.1Confident221 Ų22155.1 Ų55.183%0.83429%0.287SS*.  trans5734.5-178.1-56.6-176.3179.8-157.70.1112.8D287 G292D287-R290 VanDerWaalsContact CG-CA 3.44Å; D287-R290 VanDerWaalsContact OD1-CA 3.25Å; D287-R290 WeakPolarHBondContact OD1-CA 3.3Å; D287-R290 PolarHBondContact OD1-N 2.74Å; D287-R290 VanDerWaalsContact OD2-C 3.3Å; D287-R290 WeakPolarHBondContact OD2-CA 3.25Å; R290-G292 VanDerWaalsContact C-N 3.3Å
291D86Confident85.2Confident85 Ų8555 Ų5546%0.45529%0.294SS..SBendtrans-89.31179.969.52000112.6D287 Y289 K293D287-D291 PolarHBondContact OD1-N 3.22Å; D287-D291 PolarHBondContact OD2-N 3.22Å; D287-D291 VanDerWaalsContact OD2-N 3.13Å; Y289-D291 PolarHBondContact O-N 3.44Å; D291-K293 PolarHBondContact O-N 2.03Å; D291-K293 WeakPolarHBondContact OD1-CA 3.45Å; D291-K293 WeakPolarHBondContact OD1-CB 3.34Å; D291-K293 PolarHBondContact OD1-N 3Å
292G83.2Confident85.2Confident51 Ų5153 Ų5353%0.52628%0.282SS..SBendtrans76.49.3-179.500000113D287 R290D287-G292 WeakPolarHBondContact OD2-CA 3.23Å; D287-G292 PolarHBondContact OD2-N 3.05Å; R290-G292 VanDerWaalsContact C-N 3.3Å
293K87.8Confident85Confident77 Ų7752.8 Ų52.834%0.33528%0.281SS..SBendtrans-123.4153.8174.2-62.5-173.9170.2-141.60108.4D259 Y261 L262 D291D259-K293 IonicContact OD2-NZ 3.79Å; Y261-K293 HydrophobicContact CD1-CB 4.28Å; Y261-K293 HydrophobicContact CG-CD 4.48Å; L262-K293 WeakPolarHBondContact O-CA 2.93Å; D291-K293 PolarHBondContact O-N 2.03Å; D291-K293 WeakPolarHBondContact OD1-CA 3.45Å; D291-K293 WeakPolarHBondContact OD1-CB 3.34Å; D291-K293 PolarHBondContact OD1-N 3Å
294V88.4Confident84.3Confident4 Ų457.1 Ų57.12%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-113.8110.4173.6-177.30000107.9L262 L267 D287 E298 W299L262-V294 HydrophobicContact CB-CB 4.47Å; L262-V294 PolarHBondContact N-O 2.97Å; L262-V294 PolarHBondContact O-N 3.49Å; L267-V294 HydrophobicContact CD1-CG2 4.09Å; D287-V294 HydrophobicContact CB-CG2 4.44Å; V294-E298 HydrophobicContact CG1-CB 3.96Å; V294-W299 HydrophobicContact CG1-CB 3.97Å; V294-W299 HydrophobicContact CG1-CE3 4.37Å
295S89.1Confident83.4Confident12 Ų1260.7 Ų60.78%0.08430%0.303CS..EExtended strand (participates in β ladder)trans-67.5160.5175.663.70000111.8A297 E298 W299S295-A297 PolarHBondContact O-N 3.46Å; S295-E298 WeakPolarHBondContact CB-OE2 3.49Å; S295-E298 PolarHBondContact N-OE2 2.03Å; S295-E298 PolarHBondContact O-N 3.43Å; S295-E298 WeakPolarHBondContact OG-CB 3.38Å; S295-E298 VanDerWaalsContact OG-CG 3.3Å; S295-E298 WeakPolarHBondContact OG-CG 3.29Å; S295-E298 PolarHBondContact OG-N 2.67Å; S295-E298 PolarHBondContact OG-OE2 3.37Å; S295-W299 WeakPolarHBondContact O-CB 3.45Å; S295-W299 PolarHBondContact O-N 2.79Å
296T84.6Confident82.4Confident29 Ų2965.8 Ų65.818%0.17832%0.32CS..Hα-helixtrans-48.1-44.4170.847.90000113F251 L260 C300F251-T296 HydrophobicContact CD1-CG2 3.72Å; F251-T296 HydrophobicContact CD2-CG2 4.49Å; F251-T296 HydrophobicContact CE1-CG2 3.18Å; F251-T296 HydrophobicContact CE2-CG2 3.99Å; F251-T296 HydrophobicContact CG-CG2 4.37Å; F251-T296 HydrophobicContact CZ-CG2 3.33Å; L260-T296 HydrophobicContact CB-CG2 4.03Å; L260-T296 HydrophobicContact CD2-CG2 4.1Å; L260-T296 PolarHBondContact O-N 2.98Å; T296-C300 WeakPolarHBondContact O-CB 3.26Å; T296-C300 PolarHBondContact O-N 3.02Å; T296-C300 PolarHBondContact O-SG 3.5Å
297A83.6Confident81.6Confident41 Ų4167.9 Ų67.934%0.33933%0.329SS..Hα-helixtrans-67.2-44.9-178.800000112.1S295 C300 L301S295-A297 PolarHBondContact O-N 3.46Å; A297-C300 PolarHBondContact O-N 3.24Å; A297-L301 WeakPolarHBondContact O-CB 3.06Å; A297-L301 VanDerWaalsContact O-CG 3.23Å; A297-L301 WeakPolarHBondContact O-CG 3.37Å; A297-L301 PolarHBondContact O-N 3.47Å
298E87.6Confident81Confident6 Ų668 Ų683%0.02833%0.331CS..Hα-helixtrans-66-39.6177-73.1168.3129.200112.2S288 Y289 V294 S295 L301 C302S288-E298 WeakPolarHBondContact CA-OE1 3.3Å; S288-E298 WeakPolarHBondContact CB-OE1 2.91Å; S288-E298 PolarHBondContact N-OE1 2.97Å; Y289-E298 HydrophobicContact CD2-CG 4.4Å; Y289-E298 WeakPolarHBondContact CD2-OE1 3.46Å; Y289-E298 HydrophobicContact CE2-CG 4.38Å; Y289-E298 PolarHBondContact N-OE1 3.2Å; Y289-E298 VanDerWaalsContact N-OE1 3.13Å; V294-E298 HydrophobicContact CG1-CB 3.96Å; S295-E298 WeakPolarHBondContact CB-OE2 3.49Å; S295-E298 PolarHBondContact N-OE2 2.03Å; S295-E298 PolarHBondContact O-N 3.43Å; S295-E298 WeakPolarHBondContact OG-CB 3.38Å; S295-E298 VanDerWaalsContact OG-CG 3.3Å; S295-E298 WeakPolarHBondContact OG-CG 3.29Å; S295-E298 PolarHBondContact OG-N 2.67Å; S295-E298 PolarHBondContact OG-OE2 3.37Å; E298-L301 PolarHBondContact O-N 3.47Å; E298-C302 VanDerWaalsContact O-CB 3.23Å; E298-C302 WeakPolarHBondContact O-CB 3.22Å; E298-C302 PolarHBondContact O-N 3.07Å
299W86.2Confident80.9Confident0 Ų066.1 Ų66.10%032%0.316CS..Hα-helixtrans-57.6-52.6173.6176.7-97.6000110.9F207 I247 M250 F251 L254 L262 L267 F283 V294 S295 C302 F303F207-W299 HydrophobicContact CE2-CH2 4.13Å; F207-W299 AromaticContact CE2-CZ2 3.61Å; F207-W299 HydrophobicContact CE2-CZ2 3.61Å; F207-W299 AromaticContact CZ-CH2 3.94Å; F207-W299 HydrophobicContact CZ-CH2 3.94Å; F207-W299 AromaticContact CZ-CZ2 3.81Å; F207-W299 HydrophobicContact CZ-CZ2 3.81Å; I247-W299 VanDerWaalsContact CG2-NE1 3.25Å; I247-W299 PolarHBondContact O-NE1 2.91Å; M250-W299 HydrophobicContact CG-CZ2 4.21Å; F251-W299 HydrophobicContact CB-CG 4.44Å; F251-W299 HydrophobicContact CD2-CB 3.68Å; F251-W299 AromaticContact CD2-CD1 3.67Å; F251-W299 AromaticContact CD2-CD2 3.96Å; F251-W299 HydrophobicContact CD2-CD2 3.96Å; F251-W299 AromaticContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CE2-CB 3.98Å; F251-W299 HydrophobicContact CE2-CG 4.27Å; F251-W299 HydrophobicContact CG-CG 4.41Å; L254-W299 HydrophobicContact CD1-CH2 3.86Å; L254-W299 HydrophobicContact CD1-CZ2 4.32Å; L262-W299 HydrophobicContact CD1-CD2 4.08Å; L262-W299 HydrophobicContact CD1-CE3 3.58Å; L262-W299 HydrophobicContact CD1-CH2 4.4Å; L262-W299 HydrophobicContact CD1-CZ3 3.75Å; L267-W299 HydrophobicContact CD2-CZ3 4Å; F283-W299 HydrophobicContact CD1-CE3 4.4Å; F283-W299 AromaticContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CE1-CE3 4Å; F283-W299 AromaticContact CE1-CH2 3.79Å; F283-W299 HydrophobicContact CE1-CH2 3.79Å; F283-W299 AromaticContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CZ-CH2 4.03Å; F283-W299 AromaticContact CZ-CZ3 3.81Å; F283-W299 HydrophobicContact CZ-CZ3 3.81Å; V294-W299 HydrophobicContact CG1-CB 3.97Å; V294-W299 HydrophobicContact CG1-CE3 4.37Å; S295-W299 WeakPolarHBondContact O-CB 3.45Å; S295-W299 PolarHBondContact O-N 2.79Å; W299-C302 PolarHBondContact O-N 3.42Å; W299-F303 HydrophobicContact CD2-CD2 4.05Å; W299-F303 AromaticContact CD2-CE2 3.7Å; W299-F303 HydrophobicContact CD2-CE2 3.7Å; W299-F303 AromaticContact CE2-CD2 3.87Å; W299-F303 AromaticContact CE2-CE2 3.53Å; W299-F303 AromaticContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CG-CD2 4.39Å; W299-F303 HydrophobicContact CG-CE2 4.48Å; W299-F303 AromaticContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CZ 4.11Å; W299-F303 HydrophobicContact CZ2-CD2 4.21Å; W299-F303 AromaticContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CZ 4.22Å; W299-F303 AromaticContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CZ 4.43Å; W299-F303 VanDerWaalsContact O-CD2 3.25Å; W299-F303 WeakPolarHBondContact O-CD2 3.32Å; W299-F303 PolarHBondContact O-N 2.96Å
300C85.1Confident81.1Confident8 Ų857.6 Ų57.65%0.05428%0.283CS..Hα-helixtrans-62.4-48.6180-610000110.2C243 T296 A297 C302 F303 W304C243-C300 HydrophobicContact CB-CB 3.93Å; C243-C300 WeakPolarHBondContact CB-SG 3.22Å; C243-C300 WeakPolarHBondContact SG-CB 3.49Å; C243-C300 CovalentContact SG-SG 2.03Å; C243-C300 PolarHBondContact SG-SG 2.85Å; T296-C300 WeakPolarHBondContact O-CB 3.26Å; T296-C300 PolarHBondContact O-N 3.02Å; T296-C300 PolarHBondContact O-SG 3.5Å; A297-C300 PolarHBondContact O-N 3.24Å; C300-C302 VanDerWaalsContact C-N 3.33Å; C300-C302 PolarHBondContact O-N 2.99Å; C300-F303 CarbonylContact O-C 3.57Å; C300-F303 PolarHBondContact O-N 2.7Å; C300-W304 HydrophobicContact CB-CE3 4.17Å; C300-W304 HydrophobicContact CB-CZ3 4.38Å; C300-W304 VanDerWaalsContact O-CB 3.3Å; C300-W304 WeakPolarHBondContact O-CB 3.37Å; C300-W304 PolarHBondContact O-N 3.15Å
301L82.2Confident81.1Confident115 Ų11548.2 Ų48.260%0.60225%0.249SC*.Hα-helixtrans-58.8-39.7176.8-73.9170.6000113.1A297 E298 F303 W304 R305A297-L301 WeakPolarHBondContact O-CB 3.06Å; A297-L301 VanDerWaalsContact O-CG 3.23Å; A297-L301 WeakPolarHBondContact O-CG 3.37Å; A297-L301 PolarHBondContact O-N 3.47Å; E298-L301 PolarHBondContact O-N 3.47Å; L301-F303 VanDerWaalsContact C-N 3.29Å; L301-F303 PolarHBondContact O-N 3.31Å; L301-W304 CarbonylContact O-C 3.56Å; L301-W304 PolarHBondContact O-N 2.98Å; L301-W304 VanDerWaalsContact O-N 3.08Å; L301-R305 PolarHBondContact O-N 2.96Å
302C84.4Confident80.9Confident12 Ų1246 Ų468%0.08124%0.243CC..Hα-helixtrans-62.6-39.8-179.9-1610000111.6C286 E298 W299 C300C286-C302 HydrophobicContact CB-CB 3.46Å; C286-C302 VanDerWaalsContact CB-CB 3.46Å; C286-C302 WeakPolarHBondContact CB-SG 3.23Å; C286-C302 WeakPolarHBondContact SG-CB 3.48Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.39Å; E298-C302 VanDerWaalsContact O-CB 3.23Å; E298-C302 WeakPolarHBondContact O-CB 3.22Å; E298-C302 PolarHBondContact O-N 3.07Å; W299-C302 PolarHBondContact O-N 3.42Å; C300-C302 VanDerWaalsContact C-N 3.33Å; C300-C302 PolarHBondContact O-N 2.99Å
303F81.4Confident80.9Confident4 Ų446.1 Ų46.12%0.01823%0.23CC..Hα-helixtrans-89.3-6.2174.2-64.3-71.6000114L203 K204 F207 I247 F282 F283 W299 C300 L301L203-F303 HydrophobicContact CB-CE1 3.75Å; L203-F303 HydrophobicContact CB-CZ 4.24Å; L203-F303 HydrophobicContact CD1-CE1 4.14Å; L203-F303 HydrophobicContact CD1-CZ 4.13Å; K204-F303 HydrophobicContact CD-CB 4.26Å; K204-F303 HydrophobicContact CD-CD1 4.3Å; K204-F303 WeakPolarHBondContact CD-O 3.46Å; K204-F303 WeakPolarHBondContact CE-O 3.14Å; K204-F303 HydrophobicContact CG-CB 4.05Å; K204-F303 HydrophobicContact CG-CD1 3.59Å; K204-F303 HydrophobicContact CG-CE1 4.45Å; K204-F303 HydrophobicContact CG-CG 4.18Å; K204-F303 PolarHBondContact NZ-O 3.13Å; F207-F303 HydrophobicContact CE2-CE1 4.1Å; F207-F303 HydrophobicContact CE2-CE2 4Å; F207-F303 AromaticContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CZ-CZ 4.22Å; I247-F303 HydrophobicContact CD1-CB 3.58Å; I247-F303 HydrophobicContact CD1-CG 4.5Å; I247-F303 HydrophobicContact CG1-CB 4.27Å; I247-F303 HydrophobicContact CG2-CB 4.03Å; I247-F303 HydrophobicContact CG2-CD2 3.97Å; I247-F303 HydrophobicContact CG2-CG 4.3Å; F282-F303 AromaticContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE2 4.45Å; F282-F303 AromaticContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CZ-CD1 4.29Å; F282-F303 AromaticContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CZ 4.1Å; F283-F303 HydrophobicContact CE1-CE2 4.14Å; F283-F303 AromaticContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CZ-CZ 4.36Å; W299-F303 HydrophobicContact CD2-CD2 4.05Å; W299-F303 AromaticContact CD2-CE2 3.7Å; W299-F303 HydrophobicContact CD2-CE2 3.7Å; W299-F303 AromaticContact CE2-CD2 3.87Å; W299-F303 AromaticContact CE2-CE2 3.53Å; W299-F303 AromaticContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CG-CD2 4.39Å; W299-F303 HydrophobicContact CG-CE2 4.48Å; W299-F303 AromaticContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CZ 4.11Å; W299-F303 HydrophobicContact CZ2-CD2 4.21Å; W299-F303 AromaticContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CZ 4.22Å; W299-F303 AromaticContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CZ 4.43Å; W299-F303 VanDerWaalsContact O-CD2 3.25Å; W299-F303 WeakPolarHBondContact O-CD2 3.32Å; W299-F303 PolarHBondContact O-N 2.96Å; C300-F303 CarbonylContact O-C 3.57Å; C300-F303 PolarHBondContact O-N 2.7Å; L301-F303 VanDerWaalsContact C-N 3.29Å; L301-F303 PolarHBondContact O-N 3.31Å
304W70.6Confident80.7Confident100 Ų10044.2 Ų44.238%0.37922%0.223SC..Hα-helixtrans-92.2-10.2171.6-125-71.5000114.6S242 C243 K244 C300 L301 E306S242-W304 WeakPolarHBondContact O-CH2 3.41Å; S242-W304 WeakPolarHBondContact O-CZ2 3.48Å; S242-W304 WeakPolarHBondContact O-CZ3 3.13Å; C243-W304 HydrophobicContact CB-CZ3 4.18Å; K244-W304 HydrophobicContact CB-CH2 3.79Å; K244-W304 HydrophobicContact CB-CZ3 3.96Å; C300-W304 HydrophobicContact CB-CE3 4.17Å; C300-W304 HydrophobicContact CB-CZ3 4.38Å; C300-W304 VanDerWaalsContact O-CB 3.3Å; C300-W304 WeakPolarHBondContact O-CB 3.37Å; C300-W304 PolarHBondContact O-N 3.15Å; L301-W304 CarbonylContact O-C 3.56Å; L301-W304 PolarHBondContact O-N 2.98Å; L301-W304 VanDerWaalsContact O-N 3.08Å; W304-E306 PolarHBondContact O-N 2.99Å
305R65.1Low80.3Confident173 Ų17348.1 Ų48.165%0.65324%0.241SC*.  trans-49.8101169.8-74.5-176.3-177.2-104.62.2106.7K204 L301 K307K204-R305 PolarHBondContact NZ-O 3.42Å; L301-R305 PolarHBondContact O-N 2.96Å; R305-K307 PolarHBondContact O-N 3.22Å
306E63.6Low79.9Confident167 Ų16753.6 Ų53.678%0.7826%0.26SS*.PPolyproline II helixtrans-59.4136.8175.9-71.9-169.315600105W304 P308W304-E306 PolarHBondContact O-N 2.99Å; E306-P308 VanDerWaalsContact O-N 3.08Å
307K66.9Low79.7Confident48 Ų4852.8 Ų52.821%0.20925%0.254CS..PPolyproline II helixtrans-49.1125.1177.7-171.4172.4-163.3134.80107.1E201 R305 L311 A312 E315E201-K307 WeakPolarHBondContact OE1-CD 3.24Å; E201-K307 WeakPolarHBondContact OE1-CE 3.3Å; E201-K307 WeakPolarHBondContact OE1-CG 3.33Å; E201-K307 IonicContact OE1-NZ 2.86Å; E201-K307 PolarHBondContact OE1-NZ 3.37Å; E201-K307 IonicContact OE2-NZ 3.25Å; E201-K307 PolarHBondContact OE2-NZ 3.28Å; R305-K307 PolarHBondContact O-N 3.22Å; K307-L311 HydrophobicContact CD-CB 4.33Å; K307-L311 HydrophobicContact CG-CB 3.89Å; K307-A312 HydrophobicContact CB-CB 4.21Å; K307-A312 HydrophobicContact CD-CB 4.41Å; K307-A312 HydrophobicContact CG-CB 4.26Å; K307-E315 VanDerWaalsContact CD-OE2 3.23Å; K307-E315 WeakPolarHBondContact CD-OE2 3.08Å; K307-E315 WeakPolarHBondContact CE-OE2 3.31Å; K307-E315 IonicContact NZ-OE1 2.85Å; K307-E315 IonicContact NZ-OE2 3.44Å; K307-E315 PolarHBondContact NZ-OE2 3.12Å
308P75.6Confident79.4Confident18 Ų1857.3 Ų57.312%0.11727%0.268CS..PPolyproline II helixtrans-58.7146.4-172.225.9-35.7000108.9E306 C310 L311 A312 G338 Y339E306-P308 VanDerWaalsContact O-N 3.08Å; P308-C310 PolarHBondContact O-N 2.8Å; P308-L311 HydrophobicContact CG-CB 4.24Å; P308-L311 HydrophobicContact CG-CD1 3.8Å; P308-L311 HydrophobicContact CG-CG 4.16Å; P308-L311 PolarHBondContact O-N 3.48Å; P308-A312 PolarHBondContact O-N 3.49Å; P308-G338 VanDerWaalsContact CB-O 3.29Å; P308-G338 WeakPolarHBondContact CB-O 3.08Å; P308-G338 WeakPolarHBondContact CG-O 3.35Å; P308-Y339 HydrophobicContact CB-CD1 4.26Å; P308-Y339 HydrophobicContact CB-CD2 4.3Å; P308-Y339 HydrophobicContact CB-CE1 4.28Å; P308-Y339 HydrophobicContact CB-CE2 4.3Å; P308-Y339 HydrophobicContact CB-CG 4.29Å
309P82Confident78.8Confident38 Ų3862.3 Ų62.325%0.24730%0.299CS..Hα-helixtrans-62.6-26.3-155.324.4-36.3000113.4E313 Y339 Y340P309-E313 PolarHBondContact O-N 3.13Å; P309-E313 VanDerWaalsContact O-N 3.16Å; P309-Y339 HydrophobicContact CG-CD1 3.91Å; P309-Y339 HydrophobicContact CG-CE1 4.37Å; P309-Y340 HydrophobicContact CB-CE2 3.99Å; P309-Y340 HydrophobicContact CG-CD2 4.35Å; P309-Y340 HydrophobicContact CG-CE2 4.26Å; P309-Y340 PolarHBondContact O-OH 3.12Å
310C86.2Confident77.9Confident0 Ų066.6 Ų66.60%032%0.321CS..Hα-helixtrans-75.4-44176.1-170.70000112.3P308 A312 E313 L314 C334 G338 Y339 Y340P308-C310 PolarHBondContact O-N 2.8Å; C310-A312 VanDerWaalsContact C-N 3.32Å; C310-E313 PolarHBondContact O-N 2.93Å; C310-L314 WeakPolarHBondContact O-CG 3.46Å; C310-L314 PolarHBondContact O-N 3.49Å; C310-C334 HydrophobicContact CB-CB 3.81Å; C310-C334 WeakPolarHBondContact CB-SG 3.36Å; C310-C334 WeakPolarHBondContact SG-CA 3.37Å; C310-C334 WeakPolarHBondContact SG-CB 3.38Å; C310-C334 CovalentContact SG-SG 2.03Å; C310-C334 PolarHBondContact SG-SG 3.4Å; C310-G338 VanDerWaalsContact CB-O 3.3Å; C310-G338 WeakPolarHBondContact CB-O 3.09Å; C310-G338 PolarHBondContact N-O 3.43Å; C310-Y339 VanDerWaalsContact CB-C 3.42Å; C310-Y340 VanDerWaalsContact CA-CE2 3.46Å; C310-Y340 HydrophobicContact CB-CD1 3.95Å; C310-Y340 HydrophobicContact CB-CD2 3.56Å; C310-Y340 HydrophobicContact CB-CE1 4.09Å; C310-Y340 HydrophobicContact CB-CE2 3.69Å; C310-Y340 HydrophobicContact CB-CG 3.68Å
311L82.9Confident77.1Confident25 Ų2567.3 Ų67.313%0.13133%0.325CS..Hα-helixtrans-66.1-36.3174.6-67.4-178.2000112.1Q194 K307 P308 L314 E315 C334 G338Q194-L311 VanDerWaalsContact OE1-CD1 3.3Å; K307-L311 HydrophobicContact CD-CB 4.33Å; K307-L311 HydrophobicContact CG-CB 3.89Å; P308-L311 HydrophobicContact CG-CB 4.24Å; P308-L311 HydrophobicContact CG-CD1 3.8Å; P308-L311 HydrophobicContact CG-CG 4.16Å; P308-L311 PolarHBondContact O-N 3.48Å; L311-L314 HydrophobicContact CD2-CD1 4.32Å; L311-L314 PolarHBondContact O-N 3.29Å; L311-E315 PolarHBondContact O-N 3.05Å; L311-C334 HydrophobicContact CD2-CB 4.35Å; L311-G338 VanDerWaalsContact CG-CA 3.5Å; L311-G338 PolarHBondContact N-O 2.99Å
312A82.8Confident75.9Confident38 Ų3865.1 Ų65.131%0.31433%0.33SS..Hα-helixtrans-60.9-45.5174.400000111.6K307 P308 C310 E315 R316K307-A312 HydrophobicContact CB-CB 4.21Å; K307-A312 HydrophobicContact CD-CB 4.41Å; K307-A312 HydrophobicContact CG-CB 4.26Å; P308-A312 PolarHBondContact O-N 3.49Å; C310-A312 VanDerWaalsContact C-N 3.32Å; A312-E315 PolarHBondContact O-N 3.49Å; A312-R316 WeakPolarHBondContact O-CB 3.09Å; A312-R316 PolarHBondContact O-N 2.72Å
313E83.9Confident74.6Confident54 Ų5468 Ų6825%0.25236%0.362SS..Hα-helixtrans-68.5-37.7177-173.857.6-161.600112.1P309 C310 E315 R316 I317 P332 Y340P309-E313 PolarHBondContact O-N 3.13Å; P309-E313 VanDerWaalsContact O-N 3.16Å; C310-E313 PolarHBondContact O-N 2.93Å; E313-E315 PolarHBondContact O-N 3.47Å; E313-R316 WeakPolarHBondContact O-CB 3.06Å; E313-R316 PolarHBondContact O-N 3.41Å; E313-R316 IonicContact OE1-CZ 3.68Å; E313-R316 IonicContact OE1-NE 3Å; E313-R316 PolarHBondContact OE1-NE 2.79Å; E313-R316 IonicContact OE1-NH2 3.46Å; E313-R316 PolarHBondContact OE1-NH2 2.04Å; E313-R316 IonicContact OE2-CZ 3.66Å; E313-R316 IonicContact OE2-NE 2.69Å; E313-R316 PolarHBondContact OE2-NE 3.29Å; E313-R316 IonicContact OE2-NH2 3.85Å; E313-I317 HydrophobicContact CG-CD1 4.04Å; E313-I317 VanDerWaalsContact O-CG1 3.23Å; E313-I317 WeakPolarHBondContact O-CG1 2.83Å; E313-I317 PolarHBondContact O-N 3.37Å; E313-P332 HydrophobicContact CG-CG 4.41Å; E313-Y340 WeakPolarHBondContact CB-OH 3.45Å
314L82.9Confident73.4Confident37 Ų3776 Ų7619%0.19440%0.396CS..Hα-helixtrans-60.4-45.7174.3-81.3-179.9000112.5C310 L311 R316 I317 Q318 I331 P332 C334C310-L314 WeakPolarHBondContact O-CG 3.46Å; C310-L314 PolarHBondContact O-N 3.49Å; L311-L314 HydrophobicContact CD2-CD1 4.32Å; L311-L314 PolarHBondContact O-N 3.29Å; L314-R316 VanDerWaalsContact C-N 3.35Å; L314-I317 PolarHBondContact O-N 3.03Å; L314-Q318 VanDerWaalsContact O-CG 3.3Å; L314-Q318 WeakPolarHBondContact O-CG 3.39Å; L314-Q318 PolarHBondContact O-N 2.8Å; L314-I331 HydrophobicContact CD2-CG2 3.75Å; L314-P332 HydrophobicContact CD2-CG 4.03Å; L314-P332 HydrophobicContact CG-CG 4.21Å; L314-C334 WeakPolarHBondContact CD1-SG 3.44Å
315E79.2Confident72.7Confident85 Ų8579.2 Ų79.240%0.39741%0.413SS..Hα-helixtrans-62.7-43.7176.3-179174.9-159.200111.1K307 L311 A312 E313 I317 Q318 V319K307-E315 VanDerWaalsContact CD-OE2 3.23Å; K307-E315 WeakPolarHBondContact CD-OE2 3.08Å; K307-E315 WeakPolarHBondContact CE-OE2 3.31Å; K307-E315 IonicContact NZ-OE1 2.85Å; K307-E315 IonicContact NZ-OE2 3.44Å; K307-E315 PolarHBondContact NZ-OE2 3.12Å; L311-E315 PolarHBondContact O-N 3.05Å; A312-E315 PolarHBondContact O-N 3.49Å; E313-E315 PolarHBondContact O-N 3.47Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 3.28Å; E315-Q318 WeakPolarHBondContact O-CB 2.78Å; E315-Q318 PolarHBondContact O-N 2.9Å; E315-V319 HydrophobicContact CG-CG2 4.4Å; E315-V319 WeakPolarHBondContact O-CG2 3.48Å; E315-V319 PolarHBondContact O-N 2.79Å
316R81.8Confident72.4Confident127 Ų12777.2 Ų77.248%0.47941%0.409SS..Hα-helixtrans-57.5-43.4175.8-161.7-171.676.890.94.5111.6A312 E313 L314 V319 L320A312-R316 WeakPolarHBondContact O-CB 3.09Å; A312-R316 PolarHBondContact O-N 2.72Å; E313-R316 WeakPolarHBondContact O-CB 3.06Å; E313-R316 PolarHBondContact O-N 3.41Å; E313-R316 IonicContact OE1-CZ 3.68Å; E313-R316 IonicContact OE1-NE 3Å; E313-R316 PolarHBondContact OE1-NE 2.79Å; E313-R316 IonicContact OE1-NH2 3.46Å; E313-R316 PolarHBondContact OE1-NH2 2.04Å; E313-R316 IonicContact OE2-CZ 3.66Å; E313-R316 IonicContact OE2-NE 2.69Å; E313-R316 PolarHBondContact OE2-NE 3.29Å; E313-R316 IonicContact OE2-NH2 3.85Å; L314-R316 VanDerWaalsContact C-N 3.35Å; R316-V319 PolarHBondContact O-N 2.91Å; R316-L320 HydrophobicContact CG-CD1 4.18Å; R316-L320 WeakPolarHBondContact O-CB 3.33Å; R316-L320 VanDerWaalsContact O-CG 3.22Å; R316-L320 WeakPolarHBondContact O-CG 3.16Å; R316-L320 PolarHBondContact O-N 3.01Å
317I80.6Confident72.1Confident12 Ų1279.2 Ų79.26%0.06242%0.415CS..Hα-helixtrans-62.9-42.1175.9-68.4165.4000110.7E313 L314 E315 L320 D321 P332E313-I317 HydrophobicContact CG-CD1 4.04Å; E313-I317 VanDerWaalsContact O-CG1 3.23Å; E313-I317 WeakPolarHBondContact O-CG1 2.83Å; E313-I317 PolarHBondContact O-N 3.37Å; L314-I317 PolarHBondContact O-N 3.03Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 3.28Å; I317-L320 PolarHBondContact O-N 2.04Å; I317-D321 WeakPolarHBondContact O-CB 3.13Å; I317-D321 PolarHBondContact O-N 3.46Å; I317-P332 HydrophobicContact CD1-CG 4.39Å
318Q77.4Confident72Confident136 Ų13679.1 Ų79.164%0.63643%0.428SS*.Hα-helixtrans-64.4-43.5178.5-70.8174.530.500112.8L314 E315 D321 G322L314-Q318 VanDerWaalsContact O-CG 3.3Å; L314-Q318 WeakPolarHBondContact O-CG 3.39Å; L314-Q318 PolarHBondContact O-N 2.8Å; E315-Q318 WeakPolarHBondContact O-CB 2.78Å; E315-Q318 PolarHBondContact O-N 2.9Å; Q318-D321 PolarHBondContact O-N 2.94Å; Q318-G322 PolarHBondContact O-N 2.85Å
319V73.7Confident71.9Confident111 Ų11182.8 Ų82.867%0.67344%0.44SS*.Hα-helixtrans-64.8-43.4177.5173.50000110.8E315 R316 D321 G322E315-V319 HydrophobicContact CG-CG2 4.4Å; E315-V319 WeakPolarHBondContact O-CG2 3.48Å; E315-V319 PolarHBondContact O-N 2.79Å; R316-V319 PolarHBondContact O-N 2.91Å; V319-D321 VanDerWaalsContact C-N 3.33Å; V319-D321 PolarHBondContact O-N 2.97Å; V319-G322 PolarHBondContact O-N 2.66Å
320L68.7Low72Confident90 Ų9083.8 Ų83.847%0.47144%0.44SS..Hα-helixtrans-68.1-31178.9-73.7171.2000113.5R316 I317R316-L320 HydrophobicContact CG-CD1 4.18Å; R316-L320 WeakPolarHBondContact O-CB 3.33Å; R316-L320 VanDerWaalsContact O-CG 3.22Å; R316-L320 WeakPolarHBondContact O-CG 3.16Å; R316-L320 PolarHBondContact O-N 3.01Å; I317-L320 PolarHBondContact O-N 2.04Å
321D66.7Low72Confident24 Ų2488.5 Ų88.513%0.12846%0.464CS..Hα-helixtrans-88.6-8.4-177.3-81.45.4000113.3I317 Q318 V319 G323 K324 K326 R329I317-D321 WeakPolarHBondContact O-CB 3.13Å; I317-D321 PolarHBondContact O-N 3.46Å; Q318-D321 PolarHBondContact O-N 2.94Å; V319-D321 VanDerWaalsContact C-N 3.33Å; V319-D321 PolarHBondContact O-N 2.97Å; D321-G323 PolarHBondContact O-N 2.79Å; D321-K324 PolarHBondContact O-N 2.88Å; D321-K326 PolarHBondContact OD2-N 2.99Å; D321-R329 IonicContact OD1-CZ 3.85Å; D321-R329 IonicContact OD1-NH1 2.91Å; D321-R329 PolarHBondContact OD1-NH1 3.16Å
322G57.1Low72.3Confident68 Ų6887.7 Ų87.770%0.70146%0.461SS*.THydrogen-bonded Turntrans50.931.2167.700000114.5Q318 V319Q318-G322 PolarHBondContact O-N 2.85Å; V319-G322 PolarHBondContact O-N 2.66Å
323G57.4Low72.6Confident73 Ų7388.4 Ų88.475%0.75346%0.463SS*.THydrogen-bonded Turntrans81.77.1-17700000116.5D321D321-G323 PolarHBondContact O-N 2.79Å
324K57Low72.8Confident171 Ų17186.8 Ų86.874%0.74346%0.458SS*.  trans-114.7103.2171.1-65.4-176.6-177.8-179.70109.4D321 K326D321-K324 PolarHBondContact O-N 2.88Å; K324-K326 PolarHBondContact O-N 2.83Å
325K56.1Low73Confident169 Ų16987.5 Ų87.574%0.73546%0.462SS*.  trans-50.3106.1171.3-90.7-177.9174.9177.90109.1F327K325-F327 PolarHBondContact O-N 2.93Å; K325-F327 VanDerWaalsContact O-N 3.12Å
326K58.4Low73Confident131 Ų13191.6 Ų91.657%0.5748%0.481SS*.  trans-74.5105.6172.5-73.9-167.7177.6-178.30108.3D321 K324 G328 R329D321-K326 PolarHBondContact OD2-N 2.99Å; K324-K326 PolarHBondContact O-N 2.83Å; K326-G328 PolarHBondContact O-N 2.95Å; K326-R329 PolarHBondContact O-N 3.36Å
327F56Low72.6Confident208 Ų20891 Ų9191%0.91249%0.487SS*.THydrogen-bonded Turntrans-59.1105.9168.1-68.3-83.4000108.4K325K325-F327 PolarHBondContact O-N 2.93Å; K325-F327 VanDerWaalsContact O-N 3.12Å
328G65.4Low72.3Confident46 Ų4690.4 Ų90.447%0.47448%0.484SS..THydrogen-bonded Turntrans155-49.4-166.200000113.4K326 R347K326-G328 PolarHBondContact O-N 2.95Å; G328-R347 VanDerWaalsContact N-NH2 3.19Å; G328-R347 PolarHBondContact O-NH2 2.98Å
329R74.3Confident72.8Confident96 Ų9688.1 Ų88.136%0.36247%0.47SS..  trans-92.2138.1-167.6-170.4178.4-76.9161.5-2.6111.9D321 K326D321-R329 IonicContact OD1-CZ 3.85Å; D321-R329 IonicContact OD1-NH1 2.91Å; D321-R329 PolarHBondContact OD1-NH1 3.16Å; K326-R329 PolarHBondContact O-N 3.36Å
330F82.9Confident73.4Confident59 Ų5984.1 Ų84.126%0.25944%0.443SS..  trans-65.1132.3172.3171.8-117.8000110.5P332 Q344 D346 W351F330-P332 HydrophobicContact CE1-CB 4.09Å; F330-P332 HydrophobicContact CZ-CB 4.37Å; F330-Q344 HydrophobicContact CZ-CB 3.93Å; F330-Q344 HydrophobicContact CZ-CG 4.29Å; F330-D346 HydrophobicContact CD2-CB 3.49Å; F330-D346 VanDerWaalsContact CD2-CB 3.49Å; F330-D346 HydrophobicContact CE2-CB 3.95Å; F330-D346 HydrophobicContact CG-CB 4.41Å; F330-W351 HydrophobicContact CD1-CZ2 4.47Å; F330-W351 HydrophobicContact CD2-CH2 4.09Å; F330-W351 HydrophobicContact CD2-CZ2 4.4Å; F330-W351 AromaticContact CE1-CZ2 3.95Å; F330-W351 HydrophobicContact CE1-CZ2 3.95Å; F330-W351 AromaticContact CE2-CH2 3.78Å; F330-W351 HydrophobicContact CE2-CH2 3.78Å; F330-W351 AromaticContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CZ-CH2 4.05Å; F330-W351 AromaticContact CZ-CZ2 3.6Å; F330-W351 HydrophobicContact CZ-CZ2 3.6Å
331I86.7Confident74.4Confident99 Ų9985.8 Ų85.851%0.50844%0.443SS..  trans-110.3115.2175.7-60.3174.3000107.1L314L314-I331 HydrophobicContact CD2-CG2 3.75Å
332P89.5Confident75.5Confident8 Ų889.7 Ų89.75%0.05246%0.459CS..  trans-71.6152.8-179.130-34.9000111.9E313 L314 I317 F330 Y340E313-P332 HydrophobicContact CG-CG 4.41Å; L314-P332 HydrophobicContact CD2-CG 4.03Å; L314-P332 HydrophobicContact CG-CG 4.21Å; I317-P332 HydrophobicContact CD1-CG 4.39Å; F330-P332 HydrophobicContact CE1-CB 4.09Å; F330-P332 HydrophobicContact CZ-CB 4.37Å; P332-Y340 HydrophobicContact CB-CD1 3.97Å; P332-Y340 HydrophobicContact CB-CE1 3.51Å; P332-Y340 HydrophobicContact CG-CE1 4.16Å
333S88.4Confident77.1Confident52 Ų5289.3 Ų89.336%0.36444%0.439SS..  trans-101.9125.8175.8-158.90000110.6R341 Q344S333-R341 WeakPolarHBondContact O-CB 3.02Å; S333-R341 PolarHBondContact O-N 3.02Å; S333-R341 WeakPolarHBondContact OG-CD 3.41Å; S333-Q344 PolarHBondContact O-NE2 3.46Å
334C89.4Confident78.8Confident21 Ų2186 Ų8614%0.14240%0.404CS..BIsolated β-bridgetrans-105.6156.3-177.2-47.20000112.6C310 L311 L314 Y339 R341C310-C334 HydrophobicContact CB-CB 3.81Å; C310-C334 WeakPolarHBondContact CB-SG 3.36Å; C310-C334 WeakPolarHBondContact SG-CA 3.37Å; C310-C334 WeakPolarHBondContact SG-CB 3.38Å; C310-C334 CovalentContact SG-SG 2.03Å; C310-C334 PolarHBondContact SG-SG 3.4Å; L311-C334 HydrophobicContact CD2-CB 4.35Å; L314-C334 WeakPolarHBondContact CD1-SG 3.44Å; C334-Y339 CarbonylContact C-O 3.58Å; C334-Y339 VanDerWaalsContact CA-O 3.26Å; C334-Y339 WeakPolarHBondContact CA-O 3Å; C334-R341 PolarHBondContact O-NE 3.49Å
335N86.3Confident80.4Confident52 Ų5280.9 Ų80.928%0.27839%0.389SS..  trans-79.9171.1169-71.5-21.6000111D337 G338 Y339 Y340 R341N335-D337 PolarHBondContact O-N 3.3Å; N335-G338 PolarHBondContact O-N 2.87Å; N335-Y339 PolarHBondContact N-O 3.45Å; N335-Y340 PolarHBondContact ND2-O 2.9Å; N335-R341 WeakPolarHBondContact OD1-CA 3.29Å; N335-R341 WeakPolarHBondContact OD1-CG 3.22Å
336E79.6Confident82Confident170 Ų17075 Ų7579%0.79437%0.366SS*.THydrogen-bonded Turntrans-61.3-29.4175.8-63.3-178.7-179.100112.6G338E336-G338 PolarHBondContact O-N 3.34Å
337D73Confident83.2Confident114 Ų11477.7 Ų77.761%0.6137%0.372SS*.THydrogen-bonded Turntrans-83.12.4175.3-53.1-54.3000113.3N335 Y339N335-D337 PolarHBondContact O-N 3.3Å; D337-Y339 VanDerWaalsContact C-N 3.34Å; D337-Y339 HydrophobicContact CB-CD2 3.95Å; D337-Y339 HydrophobicContact CB-CE2 4.42Å; D337-Y339 WeakPolarHBondContact O-CD2 3.06Å; D337-Y339 PolarHBondContact O-N 3.01Å
338G74.8Confident84.6Confident0 Ų070.5 Ų70.50%036%0.357CS..SBendtrans79.36.4175.800000116.8P308 C310 L311 N335 E336P308-G338 VanDerWaalsContact CB-O 3.29Å; P308-G338 WeakPolarHBondContact CB-O 3.08Å; P308-G338 WeakPolarHBondContact CG-O 3.35Å; C310-G338 VanDerWaalsContact CB-O 3.3Å; C310-G338 WeakPolarHBondContact CB-O 3.09Å; C310-G338 PolarHBondContact N-O 3.43Å; L311-G338 VanDerWaalsContact CG-CA 3.5Å; L311-G338 PolarHBondContact N-O 2.99Å; N335-G338 PolarHBondContact O-N 2.87Å; E336-G338 PolarHBondContact O-N 3.34Å
339Y86.5Confident85.8Confident88 Ų8871.2 Ų71.235%0.34535%0.348SS..SBendtrans-85.8170.7169.1-66-85.1000112.2P308 P309 C310 C334 N335 D337 Q355P308-Y339 HydrophobicContact CB-CD1 4.26Å; P308-Y339 HydrophobicContact CB-CD2 4.3Å; P308-Y339 HydrophobicContact CB-CE1 4.28Å; P308-Y339 HydrophobicContact CB-CE2 4.3Å; P308-Y339 HydrophobicContact CB-CG 4.29Å; P309-Y339 HydrophobicContact CG-CD1 3.91Å; P309-Y339 HydrophobicContact CG-CE1 4.37Å; C310-Y339 VanDerWaalsContact CB-C 3.42Å; C334-Y339 CarbonylContact C-O 3.58Å; C334-Y339 VanDerWaalsContact CA-O 3.26Å; C334-Y339 WeakPolarHBondContact CA-O 3Å; N335-Y339 PolarHBondContact N-O 3.45Å; D337-Y339 VanDerWaalsContact C-N 3.34Å; D337-Y339 HydrophobicContact CB-CD2 3.95Å; D337-Y339 HydrophobicContact CB-CE2 4.42Å; D337-Y339 WeakPolarHBondContact O-CD2 3.06Å; D337-Y339 PolarHBondContact O-N 3.01Å; Y339-Q355 HydrophobicContact CD1-CG 3.44Å; Y339-Q355 VanDerWaalsContact CD1-CG 3.44Å; Y339-Q355 HydrophobicContact CD2-CG 4.49Å; Y339-Q355 VanDerWaalsContact CD2-NE2 3.27Å; Y339-Q355 HydrophobicContact CE1-CG 4.04Å; Y339-Q355 HydrophobicContact CG-CG 3.69Å
340Y87.3Confident86.6Confident27 Ų2767.3 Ų67.311%0.10634%0.335CS..BIsolated β-bridgetrans-68.1137179.9-71.8-95.7000111.4P309 C310 E313 P332 N335 K342 Q355 N356P309-Y340 HydrophobicContact CB-CE2 3.99Å; P309-Y340 HydrophobicContact CG-CD2 4.35Å; P309-Y340 HydrophobicContact CG-CE2 4.26Å; P309-Y340 PolarHBondContact O-OH 3.12Å; C310-Y340 VanDerWaalsContact CA-CE2 3.46Å; C310-Y340 HydrophobicContact CB-CD1 3.95Å; C310-Y340 HydrophobicContact CB-CD2 3.56Å; C310-Y340 HydrophobicContact CB-CE1 4.09Å; C310-Y340 HydrophobicContact CB-CE2 3.69Å; C310-Y340 HydrophobicContact CB-CG 3.68Å; E313-Y340 WeakPolarHBondContact CB-OH 3.45Å; P332-Y340 HydrophobicContact CB-CD1 3.97Å; P332-Y340 HydrophobicContact CB-CE1 3.51Å; P332-Y340 HydrophobicContact CG-CE1 4.16Å; N335-Y340 PolarHBondContact ND2-O 2.9Å; Y340-K342 PolarHBondContact O-N 2.9Å; Y340-Q355 PolarHBondContact N-O 3.16Å; Y340-N356 VanDerWaalsContact CE2-C 3.49Å; Y340-N356 WeakPolarHBondContact CE2-O 2.79Å
341R90.1Very high87.1Confident125 Ų12565.3 Ų65.347%0.47233%0.326SS..PPolyproline II helixtrans-61.6135.6164.4-86.4177.8-164.7-128.2-4108.7S333 C334 N335 Q343 Q344 V353S333-R341 WeakPolarHBondContact O-CB 3.02Å; S333-R341 PolarHBondContact O-N 3.02Å; S333-R341 WeakPolarHBondContact OG-CD 3.41Å; C334-R341 PolarHBondContact O-NE 3.49Å; N335-R341 WeakPolarHBondContact OD1-CA 3.29Å; N335-R341 WeakPolarHBondContact OD1-CG 3.22Å; R341-Q343 PolarHBondContact O-N 3.42Å; R341-Q344 PolarHBondContact O-NE2 3.36Å; R341-V353 WeakPolarHBondContact O-CG2 3.34Å
342K90.2Very high87.4Confident106 Ų10661.2 Ų61.246%0.46131%0.306SS..SBendtrans-50.6-33.6177-65.3-171-174.9177.90112.9Y340 C352 V353 C371 D372Y340-K342 PolarHBondContact O-N 2.9Å; K342-C352 CarbonylContact O-C 3.44Å; K342-C352 WeakPolarHBondContact O-CA 3.37Å; K342-V353 PolarHBondContact O-N 3.07Å; K342-C371 HydrophobicContact CB-CB 3.92Å; K342-C371 WeakPolarHBondContact CD-O 3.28Å; K342-D372 IonicContact NZ-OD1 2.85Å; K342-D372 PolarHBondContact NZ-OD1 3.46Å
343Q90.9Very high87.5Confident60 Ų6061.3 Ų61.328%0.2831%0.306SS..EExtended strand (participates in β ladder)trans-104.1124.9175.6-175.9-175.1-3.800110.5R341 C345 P369R341-Q343 PolarHBondContact O-N 3.42Å; Q343-C345 PolarHBondContact NE2-SG 2.59Å; Q343-P369 HydrophobicContact CG-CG 4.07Å
344Q91.9Very high87.5Confident3 Ų362.4 Ų62.41%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-115.6145.9171.8-65.1-58.7-38.500110F330 S333 R341 C350 W351 V353F330-Q344 HydrophobicContact CZ-CB 3.93Å; F330-Q344 HydrophobicContact CZ-CG 4.29Å; S333-Q344 PolarHBondContact O-NE2 3.46Å; R341-Q344 PolarHBondContact O-NE2 3.36Å; Q344-C350 CarbonylContact O-C 3.5Å; Q344-C350 WeakPolarHBondContact O-CA 3.35Å; Q344-C350 WeakPolarHBondContact O-CB 3.43Å; Q344-W351 HydrophobicContact CB-CD2 4.3Å; Q344-W351 HydrophobicContact CB-CZ2 4.08Å; Q344-W351 PolarHBondContact N-O 2.99Å; Q344-W351 PolarHBondContact O-N 2.89Å; Q344-V353 HydrophobicContact CB-CG1 4.19Å; Q344-V353 HydrophobicContact CG-CB 4.24Å; Q344-V353 HydrophobicContact CG-CG1 3.58Å; Q344-V353 HydrophobicContact CG-CG2 3.54Å
345C90.1Very high87.3Confident64 Ų6465.6 Ų65.643%0.43232%0.321SS..EExtended strand (participates in β ladder)trans-137.4128.7-179.7-65.40000110.9Q343 E349 C350Q343-C345 PolarHBondContact NE2-SG 2.59Å; C345-E349 CarbonylContact C-O 3.5Å; C345-E349 WeakPolarHBondContact CA-O 3.23Å; C345-C350 HydrophobicContact CB-CB 4.09Å; C345-C350 WeakPolarHBondContact CB-SG 3.22Å; C345-C350 WeakPolarHBondContact SG-CB 3.33Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 2.78Å
346D89.8Confident87.2Confident46 Ų4668.5 Ų68.525%0.24634%0.336CS..EExtended strand (participates in β ladder)trans-129.6130.2171.4-167.636.5000110.8F330 G348 E349 W351F330-D346 HydrophobicContact CD2-CB 3.49Å; F330-D346 VanDerWaalsContact CD2-CB 3.49Å; F330-D346 HydrophobicContact CE2-CB 3.95Å; F330-D346 HydrophobicContact CG-CB 4.41Å; D346-G348 PolarHBondContact O-N 2.89Å; D346-E349 PolarHBondContact N-O 3.01Å; D346-E349 PolarHBondContact O-N 2.81Å; D346-E349 VanDerWaalsContact O-O 3.07Å; D346-W351 HydrophobicContact CB-CH2 3.53Å; D346-W351 HydrophobicContact CB-CZ3 3.75Å
347R84.9Confident87.4Confident188 Ų18861.8 Ų61.871%0.70931%0.313SS*.THydrogen-bonded Turntrans46.331.2170.5-62.4170.4-173.8-88.1-0.1115.8G328G328-R347 VanDerWaalsContact N-NH2 3.19Å; G328-R347 PolarHBondContact O-NH2 2.98Å
348G83.8Confident88.2Confident57 Ų5757.9 Ų57.959%0.58830%0.299SS*.THydrogen-bonded Turntrans94.7117800000115.6D346D346-G348 PolarHBondContact O-N 2.89Å
349E90.7Very high89Confident61 Ų6161.7 Ų61.729%0.28532%0.317SS..EExtended strand (participates in β ladder)trans-108.8132.8168.9-71172.8179.100108.8C345 D346 W351 R364 I365 R366C345-E349 CarbonylContact C-O 3.5Å; C345-E349 WeakPolarHBondContact CA-O 3.23Å; D346-E349 PolarHBondContact N-O 3.01Å; D346-E349 PolarHBondContact O-N 2.81Å; D346-E349 VanDerWaalsContact O-O 3.07Å; E349-W351 WeakPolarHBondContact O-CZ3 3.47Å; E349-R364 HydrophobicContact CB-CG 4.33Å; E349-R364 IonicContact OE2-NH1 3.79Å; E349-I365 WeakPolarHBondContact CA-O 3.4Å; E349-R366 HydrophobicContact CG-CG 3.65Å; E349-R366 IonicContact OE1-CZ 3.71Å; E349-R366 IonicContact OE1-NE 3.17Å; E349-R366 PolarHBondContact OE1-NE 2.67Å; E349-R366 VanDerWaalsContact OE1-NE 3.12Å; E349-R366 IonicContact OE1-NH2 2.77Å; E349-R366 PolarHBondContact OE1-NH2 3.15Å; E349-R366 VanDerWaalsContact OE1-NH2 3.1Å
350C92.9Very high89.1Confident13 Ų1361.1 Ų61.19%0.08832%0.323CS..EExtended strand (participates in β ladder)trans-123.3146.6176.9-58.90000110Q344 C345 R364 I365 G367 P369Q344-C350 CarbonylContact O-C 3.5Å; Q344-C350 WeakPolarHBondContact O-CA 3.35Å; Q344-C350 WeakPolarHBondContact O-CB 3.43Å; C345-C350 HydrophobicContact CB-CB 4.09Å; C345-C350 WeakPolarHBondContact CB-SG 3.22Å; C345-C350 WeakPolarHBondContact SG-CB 3.33Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 2.78Å; C350-R364 CarbonylContact O-C 3.44Å; C350-R364 WeakPolarHBondContact O-CA 3.37Å; C350-I365 PolarHBondContact N-O 3.09Å; C350-I365 PolarHBondContact O-N 2.84Å; C350-G367 VanDerWaalsContact CB-O 3.22Å; C350-G367 WeakPolarHBondContact CB-O 3.48Å; C350-G367 PolarHBondContact SG-O 2.94Å; C350-P369 VanDerWaalsContact CB-CD 3.41Å; C350-P369 HydrophobicContact CB-CG 3.97Å
351W92.6Very high89Confident17 Ų1764.6 Ų64.66%0.06436%0.357CS..EExtended strand (participates in β ladder)trans-140.9164.5179.758.594.1000110.3F330 Q344 D346 E349 V353 E359 R364F330-W351 HydrophobicContact CD1-CZ2 4.47Å; F330-W351 HydrophobicContact CD2-CH2 4.09Å; F330-W351 HydrophobicContact CD2-CZ2 4.4Å; F330-W351 AromaticContact CE1-CZ2 3.95Å; F330-W351 HydrophobicContact CE1-CZ2 3.95Å; F330-W351 AromaticContact CE2-CH2 3.78Å; F330-W351 HydrophobicContact CE2-CH2 3.78Å; F330-W351 AromaticContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CZ-CH2 4.05Å; F330-W351 AromaticContact CZ-CZ2 3.6Å; F330-W351 HydrophobicContact CZ-CZ2 3.6Å; Q344-W351 HydrophobicContact CB-CD2 4.3Å; Q344-W351 HydrophobicContact CB-CZ2 4.08Å; Q344-W351 PolarHBondContact N-O 2.99Å; Q344-W351 PolarHBondContact O-N 2.89Å; D346-W351 HydrophobicContact CB-CH2 3.53Å; D346-W351 HydrophobicContact CB-CZ3 3.75Å; E349-W351 WeakPolarHBondContact O-CZ3 3.47Å; W351-V353 VanDerWaalsContact CD1-CG1 3.4Å; W351-E359 HydrophobicContact CB-CG 4.2Å; W351-E359 HydrophobicContact CG-CG 4.02Å; W351-R364 HydrophobicContact CB-CB 4Å; W351-R364 HydrophobicContact CB-CG 4.41Å; W351-R364 HydrophobicContact CE3-CG 4.31Å
352C92.4Very high88.8Confident14 Ų1462.4 Ų62.410%0.09537%0.374CS..EExtended strand (participates in β ladder)trans-90.7141.4173.6-57.60000110.1K342 V360 S363 C371K342-C352 CarbonylContact O-C 3.44Å; K342-C352 WeakPolarHBondContact O-CA 3.37Å; C352-V360 HydrophobicContact CB-CB 4.24Å; C352-V360 HydrophobicContact CB-CG2 4.11Å; C352-V360 PolarHBondContact O-N 3.12Å; C352-S363 PolarHBondContact N-OG 2.96Å; C352-S363 PolarHBondContact O-OG 3.4Å; C352-C371 VanDerWaalsContact CA-SG 3.52Å; C352-C371 HydrophobicContact CB-CB 3.87Å; C352-C371 WeakPolarHBondContact CB-SG 3.5Å; C352-C371 WeakPolarHBondContact SG-CA 3.5Å; C352-C371 WeakPolarHBondContact SG-CB 3.34Å; C352-C371 CovalentContact SG-SG 2.04Å; C352-C371 PolarHBondContact SG-SG 3.32Å
353V91.8Very high88.7Confident9 Ų958.3 Ų58.36%0.05536%0.358CS..BIsolated β-bridgetrans-127.5154175-59.50000111.2R341 K342 Q344 W351 G358R341-V353 WeakPolarHBondContact O-CG2 3.34Å; K342-V353 PolarHBondContact O-N 3.07Å; Q344-V353 HydrophobicContact CB-CG1 4.19Å; Q344-V353 HydrophobicContact CG-CB 4.24Å; Q344-V353 HydrophobicContact CG-CG1 3.58Å; Q344-V353 HydrophobicContact CG-CG2 3.54Å; W351-V353 VanDerWaalsContact CD1-CG1 3.4Å; V353-G358 CarbonylContact C-O 3.59Å; V353-G358 WeakPolarHBondContact CA-O 3.39Å; V353-G358 WeakPolarHBondContact CB-O 3.15Å
354D88Confident88.6Confident75 Ų7560.8 Ų60.840%0.40137%0.365SS..  trans-74.2178.4168.368.425.8000112.2N356 G357 G358D354-N356 PolarHBondContact O-N 2.84Å; D354-N356 VanDerWaalsContact O-N 3.15Å; D354-N356 VanDerWaalsContact OD1-C 3.25Å; D354-N356 VanDerWaalsContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CB 3.44Å; D354-N356 PolarHBondContact OD1-N 3.34Å; D354-G357 PolarHBondContact O-N 3.24Å; D354-G357 PolarHBondContact OD1-N 3.38Å; D354-G358 PolarHBondContact N-O 2.76Å; D354-G358 PolarHBondContact OD1-N 3.05Å
355Q85.4Confident88.5Confident88 Ų8864.4 Ų64.441%0.41138%0.384SS..THydrogen-bonded Turntrans-60.8-22.3179.3-16177.816.600112.9Y339 Y340Y339-Q355 HydrophobicContact CD1-CG 3.44Å; Y339-Q355 VanDerWaalsContact CD1-CG 3.44Å; Y339-Q355 HydrophobicContact CD2-CG 4.49Å; Y339-Q355 VanDerWaalsContact CD2-NE2 3.27Å; Y339-Q355 HydrophobicContact CE1-CG 4.04Å; Y339-Q355 HydrophobicContact CG-CG 3.69Å; Y340-Q355 PolarHBondContact N-O 3.16Å
356N83.9Confident88.3Confident113 Ų11371.2 Ų71.260%0.60440%0.4SS*.THydrogen-bonded Turntrans-100.1-6.1-175.5-66.780.2000113.5Y340 D354Y340-N356 VanDerWaalsContact CE2-C 3.49Å; Y340-N356 WeakPolarHBondContact CE2-O 2.79Å; D354-N356 PolarHBondContact O-N 2.84Å; D354-N356 VanDerWaalsContact O-N 3.15Å; D354-N356 VanDerWaalsContact OD1-C 3.25Å; D354-N356 VanDerWaalsContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CB 3.44Å; D354-N356 PolarHBondContact OD1-N 3.34Å
357G85.3Confident88Confident29 Ų2970.8 Ų70.830%0.29941%0.406SS..SBendtrans95.97.8178.900000114.7D354D354-G357 PolarHBondContact O-N 3.24Å; D354-G357 PolarHBondContact OD1-N 3.38Å
358G88.8Confident87.9Confident32 Ų3270 Ų7033%0.3341%0.408SS..PPolyproline II helixtrans-70.5124.8172.500000111.3V353 D354V353-G358 CarbonylContact C-O 3.59Å; V353-G358 WeakPolarHBondContact CA-O 3.39Å; V353-G358 WeakPolarHBondContact CB-O 3.15Å; D354-G358 PolarHBondContact N-O 2.76Å; D354-G358 PolarHBondContact OD1-N 3.05Å
359E91.1Very high87.9Confident80 Ų8067.9 Ų67.937%0.37438%0.384SS..BIsolated β-bridgetrans-69.3129.1176176.8172.5177.400110.8W351 A361 R364W351-E359 HydrophobicContact CB-CG 4.2Å; W351-E359 HydrophobicContact CG-CG 4.02Å; E359-A361 PolarHBondContact O-N 2.78Å; E359-R364 WeakPolarHBondContact OE1-CB 3.49Å; E359-R364 IonicContact OE1-CZ 3.57Å; E359-R364 IonicContact OE1-NE 3.98Å; E359-R364 PolarHBondContact OE1-NE 2.84Å; E359-R364 IonicContact OE1-NH2 3.1Å; E359-R364 PolarHBondContact OE1-NH2 3.04Å; E359-R364 IonicContact OE2-CZ 3.02Å; E359-R364 IonicContact OE2-NE 3.9Å; E359-R364 IonicContact OE2-NH2 2.7Å; E359-R364 PolarHBondContact OE2-NH2 2.81Å
360V89.1Confident87.6Confident77 Ų7770.7 Ų70.747%0.46740%0.401SS..PPolyproline II helixtrans-70118.7171.8-179.70000108.1C352 G362 S363C352-V360 HydrophobicContact CB-CB 4.24Å; C352-V360 HydrophobicContact CB-CG2 4.11Å; C352-V360 PolarHBondContact O-N 3.12Å; V360-G362 PolarHBondContact O-N 2.87Å; V360-S363 VanDerWaalsContact O-CB 3.28Å; V360-S363 WeakPolarHBondContact O-CB 3.45Å; V360-S363 PolarHBondContact O-N 3.2Å; V360-S363 VanDerWaalsContact O-N 3.09Å; V360-S363 PolarHBondContact O-OG 2.85Å
361A86.2Confident87.1Confident99 Ų9971.3 Ų71.382%0.81841%0.405SS*.THydrogen-bonded Turntrans-55.1129.7-176.100000111.6E359 S363E359-A361 PolarHBondContact O-N 2.78Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.83Å
362G84.1Confident86.4Confident80 Ų8076.2 Ų76.283%0.82543%0.432SS*.THydrogen-bonded Turntrans80.11.1179.200000115.7V360V360-G362 PolarHBondContact O-N 2.87Å
363S88.6Confident85.1Confident20 Ų2079.4 Ų79.414%0.1446%0.455CS..  trans-82.7-7.4-179.268.20000114.9C352 V360 A361 I365C352-S363 PolarHBondContact N-OG 2.96Å; C352-S363 PolarHBondContact O-OG 3.4Å; V360-S363 VanDerWaalsContact O-CB 3.28Å; V360-S363 WeakPolarHBondContact O-CB 3.45Å; V360-S363 PolarHBondContact O-N 3.2Å; V360-S363 VanDerWaalsContact O-N 3.09Å; V360-S363 PolarHBondContact O-OG 2.85Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.83Å; S363-I365 PolarHBondContact O-N 3.43Å
364R90.3Very high83.1Confident111 Ų11186.8 Ų86.842%0.41949%0.489SS..  trans-75.7113.2-176.2-172.8-179.9-69.4-125.20112.3E349 C350 W351 E359E349-R364 HydrophobicContact CB-CG 4.33Å; E349-R364 IonicContact OE2-NH1 3.79Å; C350-R364 CarbonylContact O-C 3.44Å; C350-R364 WeakPolarHBondContact O-CA 3.37Å; W351-R364 HydrophobicContact CB-CB 4Å; W351-R364 HydrophobicContact CB-CG 4.41Å; W351-R364 HydrophobicContact CE3-CG 4.31Å; E359-R364 WeakPolarHBondContact OE1-CB 3.49Å; E359-R364 IonicContact OE1-CZ 3.57Å; E359-R364 IonicContact OE1-NE 3.98Å; E359-R364 PolarHBondContact OE1-NE 2.84Å; E359-R364 IonicContact OE1-NH2 3.1Å; E359-R364 PolarHBondContact OE1-NH2 3.04Å; E359-R364 IonicContact OE2-CZ 3.02Å; E359-R364 IonicContact OE2-NE 3.9Å; E359-R364 IonicContact OE2-NH2 2.7Å; E359-R364 PolarHBondContact OE2-NH2 2.81Å
365I88.6Confident81.5Confident79 Ų7992.2 Ų92.241%0.40551%0.514SS..BIsolated β-bridgetrans-134.3155.3-179.566.4171.8000112E349 C350 S363 G367 P369E349-I365 WeakPolarHBondContact CA-O 3.4Å; C350-I365 PolarHBondContact N-O 3.09Å; C350-I365 PolarHBondContact O-N 2.84Å; S363-I365 PolarHBondContact O-N 3.43Å; I365-G367 PolarHBondContact O-N 3.38Å; I365-G367 VanDerWaalsContact O-N 3.16Å; I365-P369 HydrophobicContact CD1-CB 3.89Å; I365-P369 HydrophobicContact CG1-CB 4.01Å; I365-P369 HydrophobicContact CG1-CG 4.45Å
366R86Confident79.5Confident208 Ų20893.3 Ų93.379%0.78553%0.527SS*.SBendtrans-82.985.3168.7-73.8-177.2-177.6164.12.9109.7E349E349-R366 HydrophobicContact CG-CG 3.65Å; E349-R366 IonicContact OE1-CZ 3.71Å; E349-R366 IonicContact OE1-NE 3.17Å; E349-R366 PolarHBondContact OE1-NE 2.67Å; E349-R366 VanDerWaalsContact OE1-NE 3.12Å; E349-R366 IonicContact OE1-NH2 2.77Å; E349-R366 PolarHBondContact OE1-NH2 3.15Å; E349-R366 VanDerWaalsContact OE1-NH2 3.1Å
367G83.5Confident77.8Confident36 Ų3695.7 Ų95.737%0.37153%0.529SS..SBendtrans157-160.5-175.600000111.8C350 I365 P369C350-G367 VanDerWaalsContact CB-O 3.22Å; C350-G367 WeakPolarHBondContact CB-O 3.48Å; C350-G367 PolarHBondContact SG-O 2.94Å; I365-G367 PolarHBondContact O-N 3.38Å; I365-G367 VanDerWaalsContact O-N 3.16Å; G367-P369 VanDerWaalsContact O-CD 3.29Å; G367-P369 WeakPolarHBondContact O-CD 3.19Å
368K83.3Confident76Confident173 Ų173100.3 Ų100.375%0.75256%0.557SS**  trans-96.3106.2176.1-172.1-176.7-179.5-168.70109.3
369P83.3Confident74Confident11 Ų11100.2 Ų100.27%0.07156%0.555CS.*  trans-68.7146.7172.828.3-35.1000110.1Q343 C350 I365 G367Q343-P369 HydrophobicContact CG-CG 4.07Å; C350-P369 VanDerWaalsContact CB-CD 3.41Å; C350-P369 HydrophobicContact CB-CG 3.97Å; I365-P369 HydrophobicContact CD1-CB 3.89Å; I365-P369 HydrophobicContact CG1-CB 4.01Å; I365-P369 HydrophobicContact CG1-CG 4.45Å; G367-P369 VanDerWaalsContact O-CD 3.29Å; G367-P369 WeakPolarHBondContact O-CD 3.19Å
370D84.2Confident71.9Confident121 Ų121103.4 Ų103.465%0.64758%0.575SS**  trans-85.8110.9167.8-171.2-1.5000108.3D372D370-D372 PolarHBondContact OD1-N 3.3Å; D370-D372 VanDerWaalsContact OD1-N 3.13Å
371C82.6Confident69.8Low25 Ų25108.5 Ų108.517%0.16959%0.591CS.*  trans-107.38.5-178.3-53.80000112.2K342 C352K342-C371 HydrophobicContact CB-CB 3.92Å; K342-C371 WeakPolarHBondContact CD-O 3.28Å; C352-C371 VanDerWaalsContact CA-SG 3.52Å; C352-C371 HydrophobicContact CB-CB 3.87Å; C352-C371 WeakPolarHBondContact CB-SG 3.5Å; C352-C371 WeakPolarHBondContact SG-CA 3.5Å; C352-C371 WeakPolarHBondContact SG-CB 3.34Å; C352-C371 CovalentContact SG-SG 2.04Å; C352-C371 PolarHBondContact SG-SG 3.32Å
372D77.3Confident68.2Low120 Ų120106 Ų10664%0.64258%0.575SS**  trans-100-4.9178.5-78.8-30.1000113.4K342 D370 E374K342-D372 IonicContact NZ-OD1 2.85Å; K342-D372 PolarHBondContact NZ-OD1 3.46Å; D370-D372 PolarHBondContact OD1-N 3.3Å; D370-D372 VanDerWaalsContact OD1-N 3.13Å; D372-E374 PolarHBondContact O-N 2.87Å
373S65.1Low66.4Low82 Ų82107.5 Ų107.557%0.57357%0.573SS**SBendtrans-59.3116.9164.363.10000107.7
374E50.6Low64.5Low164 Ų164111.7 Ų111.777%0.76661%0.608SS**  trans-41.3151.3167.3-71-173.9147.100109.2D372 T376D372-E374 PolarHBondContact O-N 2.87Å; E374-T376 PolarHBondContact O-N 3Å
375M53.8Low62.3Low189 Ų189111.1 Ų111.193%0.93162%0.617SS**  trans-59.271168.3-60.6-177.8-173.700109.7Y377M375-Y377 PolarHBondContact O-N 2.77Å
376T45Very low60.2Low111 Ų111110.8 Ų110.868%0.68163%0.634SS**  trans-71.277.6159.149.70000104.3E374 S378E374-T376 PolarHBondContact O-N 3Å; T376-S378 PolarHBondContact O-N 3.1Å
377Y46.8Very low58Low163 Ų163111.9 Ų111.964%0.63964%0.638SS**  9.382.1121.7-153-97.6000111.1M375 G379 F381M375-Y377 PolarHBondContact O-N 2.77Å; Y377-G379 VanDerWaalsContact CD1-N 3.29Å; Y377-G379 PolarHBondContact O-N 2.83Å; Y377-F381 HydrophobicContact CD1-CD2 4.16Å; Y377-F381 HydrophobicContact CD1-CE2 4.12Å; Y377-F381 AromaticContact CE1-CD2 3.44Å; Y377-F381 HydrophobicContact CE1-CD2 3.44Å; Y377-F381 VanDerWaalsContact CE1-CD2 3.44Å; Y377-F381 AromaticContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CZ 4.16Å; Y377-F381 AromaticContact CZ-CE2 3.62Å; Y377-F381 WeakPolarHBondContact OH-CE2 3.47Å
378S47.1Very low55.9Low126 Ų126118.5 Ų118.588%0.88166%0.659SS**  trans-72.450.9148.2-179.90000107.5T376T376-S378 PolarHBondContact O-N 3.1Å
379G47.1Very low54Low29 Ų29117.8 Ų117.830%0.29966%0.663SS.*  trans-88.7101.6152.400000105.4Y377 F381Y377-G379 VanDerWaalsContact CD1-N 3.29Å; Y377-G379 PolarHBondContact O-N 2.83Å; G379-F381 PolarHBondContact O-N 2.96Å
380D47Very low52.3Low148 Ų148126.3 Ų126.379%0.79170%0.702SS**  trans-45.385.5152.4-177.924.3000109.6G382D380-G382 PolarHBondContact O-N 3.14Å; D380-G382 VanDerWaalsContact O-N 3.14Å
381F45.9Very low50.4Low184 Ų184129.5 Ų129.581%0.80771%0.713SS**  trans-82.271.7161.3-88-70.1000107.4Y377 G379Y377-F381 HydrophobicContact CD1-CD2 4.16Å; Y377-F381 HydrophobicContact CD1-CE2 4.12Å; Y377-F381 AromaticContact CE1-CD2 3.44Å; Y377-F381 HydrophobicContact CE1-CD2 3.44Å; Y377-F381 VanDerWaalsContact CE1-CD2 3.44Å; Y377-F381 AromaticContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CZ 4.16Å; Y377-F381 AromaticContact CZ-CE2 3.62Å; Y377-F381 WeakPolarHBondContact OH-CE2 3.47Å; G379-F381 PolarHBondContact O-N 2.96Å
382G51.9Low48.8Very low47 Ų47137.8 Ų137.849%0.48575%0.749SS.*  trans-13040.5-177.700000112.4D380D380-G382 PolarHBondContact O-N 3.14Å; D380-G382 VanDerWaalsContact O-N 3.14Å
383S47.1Very low47Very low111 Ų111140.8 Ų140.878%0.77676%0.757SS**  trans-161.394159.2-79.90000110.6V385S383-V385 PolarHBondContact O-N 3.31Å
384A48.3Very low45.7Very low107 Ų107145.6 Ų145.688%0.88477%0.77SS**  trans-75.497.515800000108.3
385V44.2Very low45.2Very low99 Ų99142.2 Ų142.260%0.677%0.77SS**  trans-149110.9155.2-69.70000103.9S383S383-V385 PolarHBondContact O-N 3.31Å
386G45.3Very low44.3Very low73 Ų73142 Ų14275%0.75377%0.767SS**  75.55660.300000109
387W39.1Very low44.1Very low231 Ų231145.4 Ų145.488%0.87578%0.775SS**  trans-115.784.7167.3-63.598.1000106.5
388E39.1Very low43.5Very low175 Ų175144.2 Ų144.282%0.81879%0.785SS**  trans-57.8157155.3-68.9171.3150.800109.2E390E388-E390 PolarHBondContact O-N 3.44Å
389D43.9Very low43Very low157 Ų157143 Ų14384%0.8478%0.783SS**  trans-47.2124.5179-49.5-65.9000112.3
390E47.7Very low42.7Very low191 Ų191150.9 Ų150.989%0.89381%0.812SS**  trans-14190.5154.6-74.7-160.4160.700109.9E388E388-E390 PolarHBondContact O-N 3.44Å
391E44.3Very low42.1Very low188 Ų188153.3 Ų153.388%0.87982%0.818SS**  3.2129.8129.2-152.6166.7-169.200116.5K393E391-K393 PolarHBondContact O-N 3.29Å
392E47.5Very low41.6Very low198 Ų198149.3 Ų149.393%0.92582%0.82SS**  trans-51.1118.9173.3-61.2173.7160.500111.7
393K41Very low40.9Very low184 Ų184155.5 Ų155.580%0.884%0.836SS**  trans-143.6101.6158.8-153.2176.8-178.3-176.70111E391E391-K393 PolarHBondContact O-N 3.29Å
394E36.7Very low40.3Very low183 Ų183158.4 Ų158.486%0.85584%0.837SS**  trans-69.9143161.5-65.9-159.3153.300110.4
395A39.8Very low39.9Very low93 Ų93161.5 Ų161.577%0.76983%0.833SS**  trans52.198.4156.400000118.4
396E36.4Very low39.6Very low185 Ų185165.7 Ų165.786%0.86485%0.846SS**  trans-81.5107.6144.7-88.4-170.8160.300109.2
397E39.5Very low39Very low181 Ų181166 Ų16685%0.84685%0.849SS**  trans-80.3137.3142.6-79.5-167.9158.500108.8
398T34.3Very low38.9Very low139 Ų139163.6 Ų163.685%0.85385%0.848SS**  trans-41.4131.2169.347.50000114.8
399A37.7Very low38.9Very low101 Ų101160.6 Ų160.684%0.83584%0.842SS**  trans-177129.5132.800000111.3
400E40.9Very low38.7Very low193 Ų193160.6 Ų160.690%0.90284%0.836SS**  trans-67.2155.4176.9-64.7172.914700112.7
401E34.4Very low38.6Very low199 Ų199159.2 Ų159.293%0.9383%0.83SS**  trans-56.3136.7173.7-59.2176156.400112
402A35Very low38.4Very low101 Ų101156.3 Ų156.384%0.83583%0.825SS**  trans-125.4117.9163.400000108.9
403E35.9Very low38.2Very low177 Ų177153 Ų15383%0.82781%0.813SS**  trans-78.5139.6166.2-70.6-171.3157.400110.8
404E36Very low38.4Very low171 Ų171150.7 Ų150.780%0.79981%0.81SS**  trans58128.8144.8-59.5-171.6171.900123.6
405E38.7Very low38.7Very low172 Ų172145.9 Ų145.980%0.80481%0.809SS**  trans48.5107.4141.6-70.5-158148.900122.7
406E38.6Very low38.7Very low187 Ų187145.1 Ų145.187%0.87481%0.81SS**  154.8134.7103.9-81.5-150.5166.600110
407G32.3Very low39.4Very low79 Ų79146.9 Ų146.981%0.81481%0.81SS**  trans145.567.2167.900000116.4
408E37.4Very low39.7Very low181 Ų181145.4 Ų145.485%0.84681%0.807SS**  trans23.2129.6146.1-81-170.8168.500123
409V39.7Very low40.5Very low113 Ų113153.7 Ų153.769%0.68582%0.823SS**  trans81.4135.2131.8177.40000115.7
410E39.5Very low40.7Very low156 Ų156156.4 Ų156.473%0.72982%0.822SS**  cis-163.312914.3-133.3163.3156.700104.2
411E44.1Very low40.6Very low163 Ų163154.4 Ų154.476%0.76282%0.818SS**  83.7144.8104.7-76.1-153.7-174.300119.6
412V41.8Very low41Very low127 Ų127151.9 Ų151.977%0.7781%0.812SS**  trans82.5135.4155.7-159.90000116.5
413D41.9Very low41.3Very low127 Ų127154.9 Ų154.968%0.67981%0.811SS**  cis-178.1166.9-20.1-171.410.5000104.9
414D45.5Very low41.7Very low137 Ų137153.6 Ų153.673%0.73381%0.81SS**  trans77.994.1154.2-74.8-37.6000120.2
415G43Very low42.1Very low81 Ų81152.4 Ų152.484%0.83581%0.81SS**  89.5131.886.200000117.8
416G40.1Very low42.3Very low77 Ų77151 Ų15179%0.79481%0.811SS**  trans140.181.9148.700000116.3
417Y50.7Low42.6Very low222 Ų222148.2 Ų148.287%0.87181%0.806SS**  trans-56.7148.1153.5-68.2-95000110.7
418I46.6Very low43.4Very low151 Ų151154 Ų15477%0.77481%0.805SS**  -175.2123.2124.332.5-146.1000114.3
419W51.1Low44Very low313 Ų313151.5 Ų151.5100%1.18680%0.801SS**  trans58.50152.2-61.792.7000122

Retrieved 419 of 419 residues in 624.6 ms (Link to these results)