A0A3Q0KQY4_SCHMA Loading...

DnaJ_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 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
1M36.2Very low40.2Very low247 Ų247168.5 Ų168.5100%1.21786%0.86SS**  0103.60-80.2-176.3159.100107.5
2S36.2Very low40Very low124 Ų124174.7 Ų174.787%0.86787%0.865SS**  trans-91.1109.1-178.9-39.60000108.1
3G37.3Very low40.1Very low68 Ų68167.7 Ų167.770%0.70184%0.843SS**  trans-93.4104.1167.400000108.8F5G3-F5 PolarHBondContact O-N 2.78Å; G3-F5 VanDerWaalsContact O-N 3.09Å
4N40.4Very low40.3Very low165 Ų165172.8 Ų172.888%0.88285%0.848SS**  trans-57.2106.7170.6-92-16.9000109.6
5F40Very low40.5Very low203 Ų203173.1 Ų173.189%0.8984%0.843SS**  trans-84.7108.6160.5-100-88.3000108G3 R7G3-F5 PolarHBondContact O-N 2.78Å; G3-F5 VanDerWaalsContact O-N 3.09Å; F5-R7 PolarHBondContact O-N 3.33Å; F5-R7 VanDerWaalsContact O-N 3.09Å
6D40.8Very low40.7Very low130 Ų130172.6 Ų172.670%0.69584%0.836SS**  trans-61.5108.8176.6-137.4-33000109.4N8D6-N8 PolarHBondContact O-N 2.68Å; D6-N8 VanDerWaalsContact O-N 3.08Å
7R46Very low40.3Very low238 Ų238167 Ų16790%0.89883%0.833SS**G310 helixtrans-66.4-10.6-171.5-127.9-179.2-148.9-166.84.5113.4F5 Q9F5-R7 PolarHBondContact O-N 3.33Å; F5-R7 VanDerWaalsContact O-N 3.09Å; R7-Q9 PolarHBondContact O-N 3.28Å
8N41.3Very low40Very low152 Ų152165.7 Ų165.781%0.81383%0.828SS**G310 helixtrans-82.6-3.7-173-75.6-37.2000115.3D6D6-N8 PolarHBondContact O-N 2.68Å; D6-N8 VanDerWaalsContact O-N 3.08Å
9Q42.7Very low39.9Very low174 Ų174164.3 Ų164.381%0.81382%0.818SS**G310 helixtrans-113.28.9-178.1-68.8-140.49.900116.1R7 S11R7-Q9 PolarHBondContact O-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.15Å
10R40.7Very low39.7Very low242 Ų242162.8 Ų162.891%0.91381%0.813SS**SBendtrans-80.393.9173.5-139.8174.4-171.8-159.71.6110R12R10-R12 PolarHBondContact O-N 3.13Å
11S41Very low39.7Very low110 Ų110163.9 Ų163.977%0.76981%0.809SS**  trans-29.6122173-66.30000112.8Q9 S13Q9-S11 PolarHBondContact O-N 3.15Å; S11-S13 VanDerWaalsContact C-N 3.3Å; S11-S13 PolarHBondContact O-N 3.31Å
12R37.2Very low39.7Very low243 Ų243159.2 Ų159.292%0.91779%0.789SS**  trans-53.590.5174.5-64.5166.671.4-179.44.3109.5R10 R14R10-R12 PolarHBondContact O-N 3.13Å; R12-R14 PolarHBondContact O-N 2.65Å
13S41.7Very low39.4Very low84 Ų84160.5 Ų160.559%0.58779%0.786SS**  trans-60.1124.6165.9179.50000107.8S11 F15S11-S13 VanDerWaalsContact C-N 3.3Å; S11-S13 PolarHBondContact O-N 3.31Å; S13-F15 PolarHBondContact O-N 3.29Å; S13-F15 VanDerWaalsContact O-N 3.16Å; S13-F15 VanDerWaalsContact OG-CD2 3.31Å; S13-F15 WeakPolarHBondContact OG-CD2 3.39Å; S13-F15 PolarHBondContact OG-N 3.01Å
14R42.4Very low39.2Very low239 Ų239164.2 Ų164.290%0.90279%0.79SS**  trans-72.86.7175.5-62.2-177.9-158.3169.55.5112.7R12 F16R12-R14 PolarHBondContact O-N 2.65Å; R14-F16 PolarHBondContact O-N 3.26Å
15F43.3Very low38.9Very low178 Ų178163.6 Ų163.678%0.78179%0.787SS**SBendtrans-71.2120.4167.5-76-87.2000107.9S13 G17S13-F15 PolarHBondContact O-N 3.29Å; S13-F15 VanDerWaalsContact O-N 3.16Å; S13-F15 VanDerWaalsContact OG-CD2 3.31Å; S13-F15 WeakPolarHBondContact OG-CD2 3.39Å; S13-F15 PolarHBondContact OG-N 3.01Å; F15-G17 PolarHBondContact O-N 3.09Å
16F44.3Very low38.5Very low165 Ų165159.7 Ų159.772%0.72478%0.779SS**  trans-42.797.8178.6-67.3-90.7000112.2R14 I18R14-F16 PolarHBondContact O-N 3.26Å; F16-I18 PolarHBondContact O-N 2.84Å
17G33.3Very low37.9Very low77 Ų77163.5 Ų163.579%0.79479%0.79SS**  59.429.111200000118.6F15 Q19F15-G17 PolarHBondContact O-N 3.09Å; G17-Q19 PolarHBondContact O-N 2.85Å
18I35.4Very low37.2Very low144 Ų144160.8 Ų160.874%0.73879%0.788SS**  trans-92.688.1156.7-50.6-179.7000106.2F16 D20F16-I18 PolarHBondContact O-N 2.84Å; I18-D20 WeakPolarHBondContact CG2-OD1 3.41Å; I18-D20 PolarHBondContact O-N 2.91Å
19Q37.8Very low36.6Very low138 Ų138158.5 Ų158.565%0.64578%0.784SS**  trans-73.4108.2155.1-87.5163.2-3000105.2G17 Y21G17-Q19 PolarHBondContact O-N 2.85Å; Q19-Y21 HydrophobicContact CB-CD2 3.86Å; Q19-Y21 HydrophobicContact CB-CE2 3.56Å; Q19-Y21 HydrophobicContact CG-CE2 4.48Å; Q19-Y21 WeakPolarHBondContact O-CD2 3.3Å; Q19-Y21 PolarHBondContact O-N 3.17Å; Q19-Y21 PolarHBondContact OE1-OH 3.38Å
20D36.1Very low36.2Very low134 Ų134158 Ų15872%0.71779%0.787SS**  trans-6291.5162.9-57.6-44.7000106.2I18 D22I18-D20 WeakPolarHBondContact CG2-OD1 3.41Å; I18-D20 PolarHBondContact O-N 2.91Å; D20-D22 PolarHBondContact O-N 2.92Å; D20-D22 VanDerWaalsContact O-N 3.08Å
21Y39.7Very low35.8Very low187 Ų187155 Ų15573%0.73378%0.783SS**  trans-74.990.6163.8-75-82.3000105.5Q19 D23Q19-Y21 HydrophobicContact CB-CD2 3.86Å; Q19-Y21 HydrophobicContact CB-CE2 3.56Å; Q19-Y21 HydrophobicContact CG-CE2 4.48Å; Q19-Y21 WeakPolarHBondContact O-CD2 3.3Å; Q19-Y21 PolarHBondContact O-N 3.17Å; Q19-Y21 PolarHBondContact OE1-OH 3.38Å; Y21-D23 PolarHBondContact O-N 2.97Å; Y21-D23 VanDerWaalsContact O-N 3.13Å
22D35.8Very low35.4Very low149 Ų149156.6 Ų156.680%0.79778%0.783SS**  trans-57.3112.9162.6-79.3-43.9000107.7D20 N24D20-D22 PolarHBondContact O-N 2.92Å; D20-D22 VanDerWaalsContact O-N 3.08Å; D22-N24 PolarHBondContact O-N 2.93Å; D22-N24 VanDerWaalsContact O-N 3.13Å
23D31.6Very low35.1Very low150 Ų150152.7 Ų152.780%0.80278%0.78SS**  trans-48.8112.9161-74.1-48.6000108.6Y21Y21-D23 PolarHBondContact O-N 2.97Å; Y21-D23 VanDerWaalsContact O-N 3.13Å
24N31.9Very low34.7Very low147 Ų147152 Ų15279%0.78679%0.787SS**  trans174.9102.1149.1-82.1-48000107.2D22D22-N24 PolarHBondContact O-N 2.93Å; D22-N24 VanDerWaalsContact O-N 3.13Å
25D33.7Very low34.1Very low151 Ų151148 Ų14881%0.80778%0.783SS**  172.4102121.5-82.8-24.7000111.3
26V31.6Very low33.7Very low121 Ų121144.8 Ų144.873%0.73378%0.781SS**  trans43.4111.5130.7-169.70000117.7Q28V26-Q28 PolarHBondContact O-N 3.26Å; V26-Q28 VanDerWaalsContact O-N 3.13Å
27F29.2Very low33.2Very low211 Ų211139 Ų13993%0.92577%0.768SS**  trans-32.9110.7151.9-91-102.5000113
28Q30.4Very low33Very low181 Ų181140.7 Ų140.785%0.84676%0.763SS**  trans-127.6115.8147.3-81.8-173.6-0.500109.1V26 N30V26-Q28 PolarHBondContact O-N 3.26Å; V26-Q28 VanDerWaalsContact O-N 3.13Å; Q28-N30 PolarHBondContact O-N 3.14Å
29S30.1Very low33.1Very low104 Ų104143.5 Ų143.573%0.72777%0.77SS**  trans-48.6123.9165.447.90000111.5
30N33.1Very low32.5Very low164 Ų164142.2 Ų142.288%0.87777%0.772SS**  trans-127.5105.8145-87.4-34000107.4Q28Q28-N30 PolarHBondContact O-N 3.14Å
31E31.7Very low32Very low178 Ų178142.6 Ų142.683%0.83277%0.774SS**  trans-56.7124.7155.5-67.2166.7139.100108.3
32D32.4Very low31.5Very low144 Ų144138.9 Ų138.977%0.7777%0.771SS**  trans155.2125130.3-82.6-22000113.1
33N31Very low31.4Very low161 Ų161136.8 Ų136.886%0.86177%0.768SS**  trans66.790.6153.2-67.1-27.1000120.1
34G34Very low31.5Very low70 Ų70135.7 Ų135.772%0.72277%0.766SS**  trans-154.159.716100000112.1C36G34-C36 PolarHBondContact O-N 2.86Å
35N30.2Very low31.6Very low155 Ų155134.5 Ų134.583%0.82977%0.765SS**  trans-12.286.6165.9-173.532.9000115G37N35-G37 PolarHBondContact O-N 3.28Å
36C34.6Very low31.4Very low110 Ų110132 Ų13274%0.74377%0.765SS**  trans-79.395.1161.447.40000106.7G34 T38G34-C36 PolarHBondContact O-N 2.86Å; C36-T38 PolarHBondContact O-N 2.92Å; C36-T38 PolarHBondContact O-OG1 2.77Å
37G33.5Very low31.4Very low42 Ų42132.2 Ų132.243%0.43377%0.772SS.*  trans-48.699.8-177.700000111.8N35 F39N35-G37 PolarHBondContact O-N 3.28Å; G37-F39 VanDerWaalsContact C-N 3.32Å; G37-F39 PolarHBondContact O-N 2.98Å; G37-F39 VanDerWaalsContact O-N 3.12Å
38T29Very low31.4Very low113 Ų113125.4 Ų125.469%0.69376%0.762SS**  trans-77.689.9165.5-53.80000105.9C36 T40C36-T38 PolarHBondContact O-N 2.92Å; C36-T38 PolarHBondContact O-OG1 2.77Å; T38-T40 HydrophobicContact CG2-CG2 4.27Å; T38-T40 PolarHBondContact O-N 3.12Å
39F37.1Very low31.7Very low204 Ų204128.4 Ų128.490%0.89577%0.767SS**  trans-77.479.7168.7-70-75.3000109.1G37G37-F39 VanDerWaalsContact C-N 3.32Å; G37-F39 PolarHBondContact O-N 2.98Å; G37-F39 VanDerWaalsContact O-N 3.12Å
40T25.8Very low32.1Very low111 Ų111128.2 Ų128.268%0.68177%0.766SS**  trans-83.9114.6150.1370000108.1T38T38-T40 HydrophobicContact CG2-CG2 4.27Å; T38-T40 PolarHBondContact O-N 3.12Å
41N26.4Very low32.4Very low141 Ų141126 Ų12675%0.75476%0.763SS**  172.7133.2112.1-117.7-21.7000114.2
42T29.5Very low32.5Very low110 Ų110122 Ų12268%0.67575%0.753SS**  trans50.2117.914053.60000121.9
43S33.2Very low32.9Very low104 Ų104124.4 Ų124.473%0.72776%0.757SS**  38.1114.6120.5-44.10000117.7
44T32.7Very low32.9Very low127 Ų127122.6 Ų122.678%0.77975%0.752SS**  169.5114.5120.2-65.10000110.8
45T33.5Very low32.9Very low122 Ų122126 Ų12675%0.74875%0.754SS**  trans36.8122.1151.461.40000122.5
46A31.1Very low33.1Very low99 Ų99125.5 Ų125.582%0.81875%0.751SS**SBend32.493.3127.600000118.7
47S31.2Very low33.3Very low126 Ų126127.9 Ų127.988%0.88176%0.755SS**  trans149.1100.4137.166.50000108.8
48G29.8Very low33.5Very low68 Ų68131.3 Ų131.370%0.70177%0.768SS**  trans166.260.5-179.600000112.7S50G48-S50 PolarHBondContact O-N 3.11Å
49Y36.2Very low34Very low244 Ų244132.8 Ų132.896%0.95777%0.771SS**  trans-7180.4154.3-71.6-77.7000106.8S51Y49-S51 PolarHBondContact O-N 2.82Å
50S38.4Very low34.1Very low100 Ų100129.5 Ų129.570%0.69976%0.763SS**  trans-71.1107.2165.864.20000107.1G48 C52G48-S50 PolarHBondContact O-N 3.11Å; S50-C52 PolarHBondContact O-N 2.71Å; S50-C52 VanDerWaalsContact O-N 3.11Å
51S39.5Very low34.9Very low118 Ų118130.5 Ų130.583%0.82576%0.764SS**  trans-49.9108.4168.352.40000110.9Y49Y49-S51 PolarHBondContact O-N 2.82Å
52C33Very low36.2Very low93 Ų93130.7 Ų130.763%0.62877%0.765SS**  trans-125.957.1165.862.80000110.3S50S50-C52 PolarHBondContact O-N 2.71Å; S50-C52 VanDerWaalsContact O-N 3.11Å
53F40.8Very low37.3Very low194 Ų194129.7 Ų129.785%0.85176%0.763SS**  trans-136.180.3157.3-70.9-70.8000108.9N55F53-N55 PolarHBondContact O-N 2.79Å; F53-N55 VanDerWaalsContact O-N 3.16Å
54T31.7Very low38.1Very low123 Ų123132.3 Ų132.376%0.75576%0.764SS**  trans-73.891.6166.4-34.70000107.5
55N34.5Very low39Very low142 Ų142130.3 Ų130.376%0.75975%0.751SS**  trans-102.4103.1162.1-88-25.1000107.6F53 I57F53-N55 PolarHBondContact O-N 2.79Å; F53-N55 VanDerWaalsContact O-N 3.16Å; N55-I57 PolarHBondContact O-N 2.67Å
56N33.6Very low40Very low145 Ų145130.7 Ų130.778%0.77575%0.747SS**  trans-57.5104.3169.7-84.8-20000108.9T58N56-T58 PolarHBondContact O-N 3.03Å
57I38.7Very low41.1Very low159 Ų159133.4 Ų133.482%0.81574%0.741SS**  trans-7997.8166.3-60.5172.3000106.5N55N55-I57 PolarHBondContact O-N 2.67Å
58T38Very low42.1Very low114 Ų114133 Ų13370%0.69973%0.725SS**  trans-127.6104.915924.40000106.8N56N56-T58 PolarHBondContact O-N 3.03Å
59N38.6Very low43.2Very low144 Ų144136 Ų13677%0.7772%0.719SS**  trans152.699149.4-77.3-33.3000109.9
60D40.4Very low44.1Very low136 Ų136131.3 Ų131.373%0.72771%0.71SS**  38.8116129.3-60.1-20.1000120.3
61N42.2Very low44.7Very low131 Ų131132.8 Ų132.870%0.70171%0.706SS**  trans72.5125.9132.2-64.2-23.1000121.3S63N61-S63 PolarHBondContact O-N 3.13Å
62D52.9Low45.5Very low145 Ų145132.8 Ų132.878%0.77570%0.695SS**SBendtrans73.214.3146.4-56.7-19.2000121.3
63S52.5Low46.6Very low89 Ų89136.6 Ų136.662%0.62270%0.701SS**SBendtrans-104.8-1.9166.653.20000115.1N61 T65N61-S63 PolarHBondContact O-N 3.13Å; S63-T65 VanDerWaalsContact C-N 3.35Å; S63-T65 PolarHBondContact O-N 3.35Å
64Q50.3Low47.1Very low160 Ų160130.2 Ų130.275%0.74869%0.69SS**G310 helixtrans-82.2-5.6179.3-73.4-169.8500114.9I66 F67Q64-I66 PolarHBondContact O-N 3.32Å; Q64-F67 PolarHBondContact O-N 3.36Å
65T51.4Low47.7Very low85 Ų85131.6 Ų131.652%0.52169%0.688SS.*G310 helixtrans-65.2-20176.252.40000113.1S63 F67S63-T65 VanDerWaalsContact C-N 3.35Å; S63-T65 PolarHBondContact O-N 3.35Å; T65-F67 VanDerWaalsContact C-N 3.3Å; T65-F67 PolarHBondContact O-N 2.66Å
66I55.1Low48.1Very low129 Ų129130.7 Ų130.766%0.66268%0.683SS**G310 helixtrans-68.1-31.3179.4-58.3176.5000111.3Q64Q64-I66 PolarHBondContact O-N 3.32Å
67F55.1Low48.2Very low156 Ų156129.6 Ų129.668%0.68468%0.682SS**THydrogen-bonded Turntrans-95.5-9.5-175.7-61.6-72.6000114.3Q64 T65 F69 D70Q64-F67 PolarHBondContact O-N 3.36Å; T65-F67 VanDerWaalsContact C-N 3.3Å; T65-F67 PolarHBondContact O-N 2.66Å; F67-F69 VanDerWaalsContact C-N 3.25Å; F67-F69 PolarHBondContact O-N 2.86Å; F67-D70 PolarHBondContact O-N 3.46Å
68Q51.5Low48.1Very low118 Ų118128.2 Ų128.255%0.55169%0.685SS**Hα-helixtrans-75-15.2-177-153.916627.900113.3D70Q68-D70 VanDerWaalsContact C-N 3.32Å; Q68-D70 PolarHBondContact O-N 2.83Å
69F52.3Low47.9Very low132 Ų132131.3 Ų131.358%0.57969%0.691SS**Hα-helixtrans-69.3-27.4175.2-77.3-77.6000113.2F67 E71 M72 F73F67-F69 VanDerWaalsContact C-N 3.25Å; F67-F69 PolarHBondContact O-N 2.86Å; F69-E71 VanDerWaalsContact C-N 3.35Å; F69-M72 HydrophobicContact CD1-CE 3.88Å; F69-M72 HydrophobicContact CE1-CE 4.13Å; F69-M72 HydrophobicContact CG-CE 4.45Å; F69-F73 VanDerWaalsContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CD2 3.11Å
70D54.8Low47.7Very low144 Ų144131.4 Ų131.477%0.7769%0.692SS**Hα-helixtrans-75.6-24.9-179.7-82.2-3.1000112.6F67 Q68F67-D70 PolarHBondContact O-N 3.46Å; Q68-D70 VanDerWaalsContact C-N 3.32Å; Q68-D70 PolarHBondContact O-N 2.83Å
71E52.8Low48Very low132 Ų132131.3 Ų131.362%0.61770%0.696SS**Hα-helixtrans-90.9-26.4-175.3-150.1168.4-161.600113.1F69 F73 G74F69-E71 VanDerWaalsContact C-N 3.35Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.17Å; E71-G74 PolarHBondContact O-N 3.16Å; E71-G74 VanDerWaalsContact O-N 3.13Å
72M55.4Low47.8Very low118 Ų118131.9 Ų131.958%0.58170%0.699SS**Hα-helixtrans-67.9-25.4178.7-74.1-170.6-70.800113.7F69 G74F69-M72 HydrophobicContact CD1-CE 3.88Å; F69-M72 HydrophobicContact CE1-CE 4.13Å; F69-M72 HydrophobicContact CG-CE 4.45Å; M72-G74 VanDerWaalsContact C-N 3.31Å
73F57Low47Very low172 Ų172134.1 Ų134.175%0.75471%0.705SS**THydrogen-bonded Turntrans-85.5-2.5174.9-66.5-77.3000113.6F69 E71 N76F69-F73 VanDerWaalsContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CD2 3.11Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.17Å; F73-N76 PolarHBondContact O-OD1 3.24Å
74G49.6Very low46.1Very low61 Ų61134.8 Ų134.863%0.62971%0.708SS**THydrogen-bonded Turntrans-97.9-14.6-18000000114.7E71 M72 N76E71-G74 PolarHBondContact O-N 3.16Å; E71-G74 VanDerWaalsContact O-N 3.13Å; M72-G74 VanDerWaalsContact C-N 3.31Å; G74-N76 VanDerWaalsContact C-N 3.3Å; G74-N76 PolarHBondContact O-N 2.95Å
75Q44.5Very low45.6Very low152 Ų152138.5 Ų138.571%0.7172%0.716SS**  trans-95.849.5-176.1-63.1-171.510.200112.4T77Q75-T77 VanDerWaalsContact C-N 3.3Å; Q75-T77 PolarHBondContact O-N 3.09Å; Q75-T77 VanDerWaalsContact O-N 3.14Å
76N42.9Very low44.9Very low123 Ų123139.8 Ų139.866%0.65873%0.728SS**  trans-82.488.1163.2-53.938.5000106.2F73 G74 C78F73-N76 PolarHBondContact O-OD1 3.24Å; G74-N76 VanDerWaalsContact C-N 3.3Å; G74-N76 PolarHBondContact O-N 2.95Å; N76-C78 PolarHBondContact O-N 3.16Å; N76-C78 VanDerWaalsContact O-N 3.09Å
77T37Very low44.1Very low122 Ų122138.6 Ų138.675%0.74873%0.731SS**  trans-14.8102.3160.445.20000114.7Q75Q75-T77 VanDerWaalsContact C-N 3.3Å; Q75-T77 PolarHBondContact O-N 3.09Å; Q75-T77 VanDerWaalsContact O-N 3.14Å
78C36.5Very low43.5Very low129 Ų129135.9 Ų135.987%0.87273%0.732SS**  trans-112.485.4154.3-72.80000107.1N76 D80N76-C78 PolarHBondContact O-N 3.16Å; N76-C78 VanDerWaalsContact O-N 3.09Å; C78-D80 PolarHBondContact O-N 3.48Å
79Q34.3Very low43.3Very low179 Ų179138.2 Ų138.284%0.83675%0.747SS**  trans-68.3102.4156.4-69.6176.7-5.800106.6
80D33.8Very low43Very low147 Ų147135.8 Ų135.879%0.78675%0.746SS**  trans-160.280.4148.5-127.1-16.4000108.7C78 D82C78-D80 PolarHBondContact O-N 3.48Å; D80-D82 VanDerWaalsContact C-N 3.27Å; D80-D82 PolarHBondContact O-N 2.62Å; D80-D82 VanDerWaalsContact O-N 3.15Å
81V46.7Very low42.8Very low133 Ų133137 Ų13781%0.80675%0.753SS**  trans-70.192.7157.9-115.80000104.6
82D37.3Very low42.8Very low143 Ų143133.9 Ų133.977%0.76575%0.746SS**  trans169.558.8152.2-81.4-20.8000112.1D80D80-D82 VanDerWaalsContact C-N 3.27Å; D80-D82 PolarHBondContact O-N 2.62Å; D80-D82 VanDerWaalsContact O-N 3.15Å
83Q36.6Very low42.9Very low192 Ų192132.1 Ų132.190%0.89774%0.743SS**  trans-147.463.1158.9-117.4153.173.900111.9
84C33.7Very low42.8Very low104 Ų104129 Ų12970%0.70374%0.74SS**  trans-64.5131.3155-81.10000109.9
85W38.6Very low43.3Very low237 Ų237134.7 Ų134.790%0.89876%0.755SS**  trans84.268.2154.3-43.1-23.4000117.8
86S37.5Very low44Very low112 Ų112130.8 Ų130.878%0.78376%0.756SS**  trans-137.565134.351.10000109.5S88S86-S88 PolarHBondContact O-N 2.88Å
87S37.8Very low44.7Very low104 Ų104135.1 Ų135.173%0.72776%0.763SS**  trans-68.969.9165.956.40000109.3L89S87-L89 PolarHBondContact O-N 3.25Å
88S43.5Very low45.5Very low99 Ų99134.9 Ų134.969%0.69276%0.764SS**  trans-55.7123.5141.656.50000105S86 S90S86-S88 PolarHBondContact O-N 2.88Å; S88-S90 PolarHBondContact O-N 3.43Å
89L45.9Very low46.5Very low167 Ų167137.4 Ų137.487%0.87476%0.755SS**  trans-60.487.5171-8087.4000106.3S87 D91S87-L89 PolarHBondContact O-N 3.25Å; L89-D91 PolarHBondContact O-N 3.31Å
90S46.5Very low47.9Very low81 Ų81140.1 Ų140.157%0.56676%0.758SS**  trans-63124.8166.561.30000105.4S88 S92S88-S90 PolarHBondContact O-N 3.43Å; S90-S92 PolarHBondContact O-N 3.26Å; S90-S92 PolarHBondContact O-OG 3.03Å; S90-S92 VanDerWaalsContact O-OG 3.13Å; S90-S92 PolarHBondContact OG-OG 2.78Å
91D50.7Low49.4Very low169 Ų169137.2 Ų137.290%0.90475%0.754SS**  trans-60.756.4166.6-83.5-40.8000110.2L89 P93L89-D91 PolarHBondContact O-N 3.31Å; D91-P93 WeakPolarHBondContact O-CD 3.25Å
92S53.7Low49.8Very low68 Ų68137.6 Ų137.648%0.47675%0.751SS.*  trans-82.8114.9175.946.90000106S90S90-S92 PolarHBondContact O-N 3.26Å; S90-S92 PolarHBondContact O-OG 3.03Å; S90-S92 VanDerWaalsContact O-OG 3.13Å; S90-S92 PolarHBondContact OG-OG 2.78Å
93P56Low50.8Low81 Ų81136.4 Ų136.453%0.52675%0.751SS.*  trans-60.9150.3179.924.6-32.6000109.5D91 L95D91-P93 WeakPolarHBondContact O-CD 3.25Å; P93-L95 PolarHBondContact O-N 3.34Å
94P55.8Low51.7Low105 Ų105136.2 Ų136.268%0.68275%0.748SS**  trans-50.8127.5-169.617-31000111.9G96 R97P94-G96 PolarHBondContact O-N 3.42Å; P94-R97 PolarHBondContact O-N 3.28Å
95L60.1Low52.5Low181 Ų181136.1 Ų136.195%0.94875%0.745SS**THydrogen-bonded Turntrans-51.5101.1170.7-66.9162.7000108.2P93P93-L95 PolarHBondContact O-N 3.34Å
96G59.2Low53.2Low71 Ų71131.1 Ų131.173%0.73274%0.736SS**THydrogen-bonded Turntrans150.1-21.8-178.700000114.4P94 P98P94-G96 PolarHBondContact O-N 3.42Å; G96-P98 WeakPolarHBondContact O-CD 3.31Å
97R57Low53.5Low213 Ų213131.9 Ų131.980%0.80474%0.736SS**SBendtrans-81.9119.9155.8-74.6-172.8179.2-164.90.2106.7P94 R99P94-R97 PolarHBondContact O-N 3.28Å; R97-R99 PolarHBondContact O-N 3.42Å
98P54.5Low54Low117 Ų117129 Ų12976%0.7672%0.722SS**  trans-48.2119.5161-19.129.5000105G96 R100G96-P98 WeakPolarHBondContact O-CD 3.31Å; P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 3.07Å
99R58.1Low54.4Low182 Ų182132.3 Ų132.369%0.68772%0.719SS**  trans-51.6113.8167.8-79.5-174.5170.997.4-1.8103.1R97 A101R97-R99 PolarHBondContact O-N 3.42Å; R99-A101 PolarHBondContact O-N 3.2Å
100R63.9Low54.7Low237 Ų237130.4 Ų130.489%0.89470%0.701SS**  trans-56.799.8163.2-80-176.9171.4-174-3.1101.9P98 N102P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 3.07Å; R100-N102 PolarHBondContact O-N 2.93Å
101A65.1Low55.2Low85 Ų85132.7 Ų132.770%0.70270%0.703SS**  trans-50.1120.2163.900000102.6R99R99-A101 PolarHBondContact O-N 3.2Å
102N55.5Low55.5Low142 Ų142128.3 Ų128.376%0.75968%0.682SS**  trans-46124.3173.9-76-35000105R100 K104R100-N102 PolarHBondContact O-N 2.93Å; N102-K104 PolarHBondContact O-N 3.05Å
103P57.7Low55.7Low117 Ų117130.7 Ų130.776%0.7669%0.686SS**  trans-50.3114.5-178.719.5-30.3000105P105P103-P105 VanDerWaalsContact O-CD 3.3Å; P103-P105 WeakPolarHBondContact O-CD 3.19Å
104K54.1Low56Low189 Ų189128.2 Ų128.282%0.82267%0.667SS**  trans-54.2120.7177.5-82.9-177.9177.9177.10103.6N102 L106N102-K104 PolarHBondContact O-N 3.05Å; K104-L106 PolarHBondContact O-N 2.99Å
105P50.7Low56.4Low101 Ų101127.9 Ų127.966%0.65667%0.665SS**  trans-51126.9171.419.6-28.3000105.2P103 T107P103-P105 VanDerWaalsContact O-CD 3.3Å; P103-P105 WeakPolarHBondContact O-CD 3.19Å; P105-T107 HydrophobicContact CB-CG2 4.35Å; P105-T107 HydrophobicContact CG-CG2 4.32Å; P105-T107 PolarHBondContact O-N 2.73Å
106L54.1Low56.5Low133 Ų133120.1 Ų120.170%0.69663%0.628SS**  trans-6579.2-180-74.7158.8000107.2K104 G108 Y110K104-L106 PolarHBondContact O-N 2.99Å; L106-G108 PolarHBondContact O-N 3.17Å; L106-Y110 HydrophobicContact CB-CE2 3.95Å; L106-Y110 HydrophobicContact CD2-CE2 3.58Å; L106-Y110 WeakPolarHBondContact CD2-OH 3.38Å; L106-Y110 HydrophobicContact CG-CE2 4.3Å
107T42.9Very low56.9Low127 Ų127118 Ų11878%0.77960%0.6SS**  trans-83.691.217751.40000106.8P105P105-T107 HydrophobicContact CB-CG2 4.35Å; P105-T107 HydrophobicContact CG-CG2 4.32Å; P105-T107 PolarHBondContact O-N 2.73Å
108G49.5Very low57.5Low43 Ų43113.7 Ų113.744%0.44359%0.587SS.*SBendtrans169.9165.8179.600000112.2L106 R296L106-G108 PolarHBondContact O-N 3.17Å; G108-R296 PolarHBondContact O-NH2 2.7Å
109R51.7Low58.2Low169 Ų169111.6 Ų111.664%0.63857%0.572SS**  trans-97.593.6174.4-70173.676.7-178.1-1.8110.5E111 R296R109-E111 PolarHBondContact O-N 3.41Å; R109-R296 VanDerWaalsContact CA-NE 3.28Å; R109-R296 PolarHBondContact NE-O 3.42Å; R109-R296 PolarHBondContact NH2-O 3.39Å
110Y52.7Low58.9Low127 Ų127109.4 Ų109.450%0.49857%0.57SS.*  trans-72.3110.5164.3-58.5-89.9000111.6L106 R296L106-Y110 HydrophobicContact CB-CE2 3.95Å; L106-Y110 HydrophobicContact CD2-CE2 3.58Å; L106-Y110 WeakPolarHBondContact CD2-OH 3.38Å; L106-Y110 HydrophobicContact CG-CE2 4.3Å; Y110-R296 VanDerWaalsContact CB-NH1 3.34Å; Y110-R296 WeakPolarHBondContact O-CD 2.91Å; Y110-R296 PolarHBondContact O-NE 2.89Å; Y110-R296 VanDerWaalsContact O-NE 3.17Å; Y110-R296 PolarHBondContact O-NH1 2.85Å
111E56.1Low59.4Low129 Ų12999.2 Ų99.260%0.60354%0.539SS*.  trans-85.7122.6165-172.2167.5138.400108.1R109 H295R109-E111 PolarHBondContact O-N 3.41Å; E111-H295 IonicContact OE1-CE1 2.95Å; E111-H295 PolarHBondContact OE1-CE1 3.44Å; E111-H295 IonicContact OE1-ND1 3.09Å; E111-H295 PolarHBondContact OE1-ND1 3.49Å; E111-H295 VanDerWaalsContact OE1-ND1 3.09Å; E111-H295 IonicContact OE2-CE1 3.68Å; E111-H295 IonicContact OE2-ND1 3.03Å; E111-H295 PolarHBondContact OE2-ND1 3.09Å
112V57.7Low59.7Low77 Ų77102.8 Ų102.847%0.46754%0.539SS..  trans-125.2113.4174.1-167.10000107.3F114V112-F114 HydrophobicContact CB-CE1 4.26Å; V112-F114 HydrophobicContact CB-CE2 3.85Å; V112-F114 HydrophobicContact CB-CZ 3.57Å; V112-F114 HydrophobicContact CG1-CD1 4.15Å; V112-F114 HydrophobicContact CG1-CE1 3.35Å; V112-F114 HydrophobicContact CG1-CE2 3.83Å; V112-F114 HydrophobicContact CG1-CZ 3.17Å; V112-F114 WeakPolarHBondContact O-CE2 3.44Å
113E57.7Low60.5Low119 Ų119105.3 Ų105.356%0.55654%0.538SS*.  trans-89.5125.7174179.5165.8-139.100108.8S293E113-S293 WeakPolarHBondContact CG-OG 3.01Å; E113-S293 WeakPolarHBondContact OE1-CB 3.42Å; E113-S293 PolarHBondContact OE1-OG 3.24Å
114F62.7Low61.4Low29 Ų29103.3 Ų103.313%0.12754%0.538CS..  trans-105.8134.1177.3-57.3-76.3000109V112 G116 I131 P132 V134V112-F114 HydrophobicContact CB-CE1 4.26Å; V112-F114 HydrophobicContact CB-CE2 3.85Å; V112-F114 HydrophobicContact CB-CZ 3.57Å; V112-F114 HydrophobicContact CG1-CD1 4.15Å; V112-F114 HydrophobicContact CG1-CE1 3.35Å; V112-F114 HydrophobicContact CG1-CE2 3.83Å; V112-F114 HydrophobicContact CG1-CZ 3.17Å; V112-F114 WeakPolarHBondContact O-CE2 3.44Å; F114-G116 PolarHBondContact O-N 2.82Å; F114-G116 VanDerWaalsContact O-N 3.08Å; F114-I131 HydrophobicContact CB-CG2 4.18Å; F114-I131 HydrophobicContact CD1-CG2 3.35Å; F114-I131 HydrophobicContact CD2-CG2 3.3Å; F114-I131 HydrophobicContact CE1-CG2 3.4Å; F114-I131 VanDerWaalsContact CE1-CG2 3.4Å; F114-I131 HydrophobicContact CE2-CG2 3.36Å; F114-I131 HydrophobicContact CG-CG2 3.29Å; F114-I131 HydrophobicContact CZ-CG2 3.4Å; F114-P132 WeakPolarHBondContact CD1-O 3.48Å; F114-P132 WeakPolarHBondContact CE1-O 2.93Å; F114-V134 HydrophobicContact CE1-CG2 3.71Å; F114-V134 HydrophobicContact CE2-CG2 4.03Å; F114-V134 HydrophobicContact CZ-CG2 3.21Å
115P62.7Low62.5Low98 Ų9898.3 Ų98.364%0.63654%0.54SS*.SBendtrans-62.7-19.8178.625-33.4000112.4V291P115-V291 WeakPolarHBondContact O-CA 3.21Å
116G63.6Low63.7Low17 Ų17100 Ų10018%0.17554%0.539CS..  trans-168.2150.9173.300000111.1F114F114-G116 PolarHBondContact O-N 2.82Å; F114-G116 VanDerWaalsContact O-N 3.08Å
117I66.3Low64.5Low27 Ų2796.7 Ų96.714%0.13852%0.524CS..  trans-107.3125170.9-58.4-179000107F129 I131 V147 I292I117-F129 HydrophobicContact CG2-CB 3.65Å; I117-F129 HydrophobicContact CG2-CD1 3.23Å; I117-F129 HydrophobicContact CG2-CE1 3.99Å; I117-F129 HydrophobicContact CG2-CG 3.65Å; I117-I131 HydrophobicContact CG2-CG1 4.18Å; I117-V147 HydrophobicContact CD1-CG2 4.21Å; I117-I292 HydrophobicContact CB-CD1 4.5Å; I117-I292 HydrophobicContact CD1-CG2 3.67Å; I117-I292 HydrophobicContact CG1-CB 4.38Å; I117-I292 HydrophobicContact CG1-CG2 3.93Å
118F69.9Low66.1Low122 Ų12295.6 Ų95.654%0.53551%0.509SS..EExtended strand (participates in β ladder)trans-96.6129.1174.7-63.7-82.1000109.5E120 F129 N130F118-E120 PolarHBondContact O-N 3Å; F118-F129 CarbonylContact O-C 3.49Å; F118-F129 VanDerWaalsContact O-CA 3.29Å; F118-F129 WeakPolarHBondContact O-CA 3.33Å; F118-N130 PolarHBondContact N-O 3.49Å; F118-N130 PolarHBondContact O-N 3.03Å
119V70Confident67.3Low73 Ų7397.7 Ų97.744%0.44251%0.506SS..EExtended strand (participates in β ladder)trans-75.5115.4169.4178.10000107.9F122 V127 K128 F129V119-F122 HydrophobicContact CG1-CD2 4.27Å; V119-F122 HydrophobicContact CG1-CE2 3.69Å; V119-F122 HydrophobicContact CG1-CZ 3.87Å; V119-V127 HydrophobicContact CB-CG1 4.44Å; V119-V127 HydrophobicContact CG1-CG1 3.65Å; V119-V127 HydrophobicContact CG2-CG1 4Å; V119-K128 CarbonylContact C-O 3.53Å; V119-K128 WeakPolarHBondContact CA-O 3.24Å; V119-F129 HydrophobicContact CG2-CD1 3.95Å; V119-F129 HydrophobicContact CG2-CE1 3.73Å
120E72.7Confident68.4Low136 Ų13694.2 Ų94.264%0.63650%0.5SS*.EExtended strand (participates in β ladder)trans-78-32.2177.7-172.3-171.4-178.700111.2F118 K128F118-E120 PolarHBondContact O-N 3Å; E120-K128 HydrophobicContact CB-CB 4Å; E120-K128 PolarHBondContact N-O 2.63Å
121G74.1Confident69.3Low24 Ų2488.7 Ų88.725%0.24748%0.479CS..EExtended strand (participates in β ladder)trans170.1169.4175.100000114.3K128G121-K128 PolarHBondContact O-N 3.38Å
122F70.5Confident70Confident160 Ų16085.5 Ų85.570%0.70247%0.469SS*.EExtended strand (participates in β ladder)trans-111.9118.8174.9-61.8-92.3000108.8V119 H126 V127V119-F122 HydrophobicContact CG1-CD2 4.27Å; V119-F122 HydrophobicContact CG1-CE2 3.69Å; V119-F122 HydrophobicContact CG1-CZ 3.87Å; F122-H126 WeakPolarHBondContact CA-O 3.24Å; F122-V127 HydrophobicContact CD1-CB 4.38Å; F122-V127 HydrophobicContact CD1-CG1 4.33Å; F122-V127 HydrophobicContact CD1-CG2 3.75Å; F122-V127 HydrophobicContact CE1-CB 4.21Å; F122-V127 HydrophobicContact CE1-CG1 3.87Å; F122-V127 HydrophobicContact CE1-CG2 3.51Å; F122-V127 HydrophobicContact CZ-CG1 4.26Å
123R73Confident70.8Confident195 Ų19586 Ų8674%0.73649%0.489SS*.EExtended strand (participates in β ladder)trans-141.9130.9174.6-166.7178.5-179.4-158.1-0.3110.3G125 H126R123-G125 PolarHBondContact O-N 3.32Å; R123-H126 PolarHBondContact N-O 3.01Å; R123-H126 WeakPolarHBondContact O-CB 3.14Å; R123-H126 PolarHBondContact O-N 3.47Å
124G77Confident71.6Confident74 Ų7482.3 Ų82.376%0.76348%0.475SS*.THydrogen-bonded Turntrans60.130.217500000114.4H126G124-H126 VanDerWaalsContact C-N 3.3Å; G124-H126 PolarHBondContact O-CD2 3.32Å; G124-H126 VanDerWaalsContact O-CD2 3.3Å; G124-H126 PolarHBondContact O-N 3.22Å
125G77.1Confident72.2Confident85 Ų8587.7 Ų87.788%0.87651%0.505SS*.THydrogen-bonded Turntrans81.82.3-175.600000114.9R123R123-G125 PolarHBondContact O-N 3.32Å
126H75.3Confident72.8Confident137 Ų13792.8 Ų92.863%0.63452%0.52SS*.EExtended strand (participates in β ladder)trans-103.3139.6177-59.1-80.2000111.6F122 R123 G124F122-H126 WeakPolarHBondContact CA-O 3.24Å; R123-H126 PolarHBondContact N-O 3.01Å; R123-H126 WeakPolarHBondContact O-CB 3.14Å; R123-H126 PolarHBondContact O-N 3.47Å; G124-H126 VanDerWaalsContact C-N 3.3Å; G124-H126 PolarHBondContact O-CD2 3.32Å; G124-H126 VanDerWaalsContact O-CD2 3.3Å; G124-H126 PolarHBondContact O-N 3.22Å
127V70.5Confident73.5Confident63 Ų6395.6 Ų95.638%0.38255%0.549SS..EExtended strand (participates in β ladder)trans-93.4124169.6-168.30000108.2V119 F122 F129V119-V127 HydrophobicContact CB-CG1 4.44Å; V119-V127 HydrophobicContact CG1-CG1 3.65Å; V119-V127 HydrophobicContact CG2-CG1 4Å; F122-V127 HydrophobicContact CD1-CB 4.38Å; F122-V127 HydrophobicContact CD1-CG1 4.33Å; F122-V127 HydrophobicContact CD1-CG2 3.75Å; F122-V127 HydrophobicContact CE1-CB 4.21Å; F122-V127 HydrophobicContact CE1-CG1 3.87Å; F122-V127 HydrophobicContact CE1-CG2 3.51Å; F122-V127 HydrophobicContact CZ-CG1 4.26Å; V127-F129 HydrophobicContact CB-CE2 4.19Å; V127-F129 HydrophobicContact CB-CZ 4.07Å; V127-F129 HydrophobicContact CG1-CD1 4.3Å; V127-F129 HydrophobicContact CG1-CE1 3.75Å; V127-F129 HydrophobicContact CG1-CE2 4.1Å; V127-F129 HydrophobicContact CG1-CZ 3.63Å
128K77.6Confident74Confident104 Ų10497.4 Ų97.445%0.45256%0.564SS.*EExtended strand (participates in β ladder)trans-94.4134.8172.7-67.3-174.7175.2-1710109.6V119 E120 G121V119-K128 CarbonylContact C-O 3.53Å; V119-K128 WeakPolarHBondContact CA-O 3.24Å; E120-K128 HydrophobicContact CB-CB 4Å; E120-K128 PolarHBondContact N-O 2.63Å; G121-K128 PolarHBondContact O-N 3.38Å
129F74.6Confident74.1Confident87 Ų8795.8 Ų95.838%0.38256%0.56SS.*EExtended strand (participates in β ladder)trans-116131.1176.5-60.2-71.9000110.1I117 F118 V119 V127 I131I117-F129 HydrophobicContact CG2-CB 3.65Å; I117-F129 HydrophobicContact CG2-CD1 3.23Å; I117-F129 HydrophobicContact CG2-CE1 3.99Å; I117-F129 HydrophobicContact CG2-CG 3.65Å; F118-F129 CarbonylContact O-C 3.49Å; F118-F129 VanDerWaalsContact O-CA 3.29Å; F118-F129 WeakPolarHBondContact O-CA 3.33Å; V119-F129 HydrophobicContact CG2-CD1 3.95Å; V119-F129 HydrophobicContact CG2-CE1 3.73Å; V127-F129 HydrophobicContact CB-CE2 4.19Å; V127-F129 HydrophobicContact CB-CZ 4.07Å; V127-F129 HydrophobicContact CG1-CD1 4.3Å; V127-F129 HydrophobicContact CG1-CE1 3.75Å; V127-F129 HydrophobicContact CG1-CE2 4.1Å; V127-F129 HydrophobicContact CG1-CZ 3.63Å; F129-I131 HydrophobicContact CB-CD1 4.46Å; F129-I131 HydrophobicContact CB-CG1 4.08Å
130N74.6Confident74.6Confident95 Ų9599.2 Ų99.251%0.50857%0.569SS.*EExtended strand (participates in β ladder)trans-93.2112.1161.9-172.92.4000107.9F118F118-N130 PolarHBondContact N-O 3.49Å; F118-N130 PolarHBondContact O-N 3.03Å
131I72.2Confident74.5Confident12 Ų1299.4 Ų99.46%0.06258%0.582CS.*  trans-108.3112.3-179.3-56.3177.5000107.8F114 I117 F129 G133 V134 M145F114-I131 HydrophobicContact CB-CG2 4.18Å; F114-I131 HydrophobicContact CD1-CG2 3.35Å; F114-I131 HydrophobicContact CD2-CG2 3.3Å; F114-I131 HydrophobicContact CE1-CG2 3.4Å; F114-I131 VanDerWaalsContact CE1-CG2 3.4Å; F114-I131 HydrophobicContact CE2-CG2 3.36Å; F114-I131 HydrophobicContact CG-CG2 3.29Å; F114-I131 HydrophobicContact CZ-CG2 3.4Å; I117-I131 HydrophobicContact CG2-CG1 4.18Å; F129-I131 HydrophobicContact CB-CD1 4.46Å; F129-I131 HydrophobicContact CB-CG1 4.08Å; I131-G133 PolarHBondContact O-N 3.41Å; I131-V134 HydrophobicContact CB-CB 4.03Å; I131-V134 HydrophobicContact CB-CG2 3.83Å; I131-V134 HydrophobicContact CG2-CB 4.25Å; I131-V134 HydrophobicContact CG2-CG2 3.51Å; I131-V134 PolarHBondContact O-N 3.03Å; I131-V134 VanDerWaalsContact O-N 3.07Å; I131-M145 HydrophobicContact CD1-CE 3.51Å; I131-M145 HydrophobicContact CD1-SD 4.26Å
132P70.7Confident74.5Confident62 Ų62103.9 Ų103.940%0.40361%0.605SS.*THydrogen-bonded Turntrans-54.5128.9179-25.934.4000111.7F114 V134F114-P132 WeakPolarHBondContact CD1-O 3.48Å; F114-P132 WeakPolarHBondContact CE1-O 2.93Å; P132-V134 VanDerWaalsContact C-N 3.34Å
133G74.2Confident74.7Confident86 Ų8699.2 Ų99.289%0.88759%0.587SS**THydrogen-bonded Turntrans85.9-2.9179.900000115.3I131I131-G133 PolarHBondContact O-N 3.41Å
134V73.9Confident74.7Confident43 Ų4392.5 Ų92.526%0.26157%0.57SS.*PPolyproline II helixtrans-101118.2172.7-177.50000109.5F114 I131 P132 S138 L139F114-V134 HydrophobicContact CE1-CG2 3.71Å; F114-V134 HydrophobicContact CE2-CG2 4.03Å; F114-V134 HydrophobicContact CZ-CG2 3.21Å; I131-V134 HydrophobicContact CB-CB 4.03Å; I131-V134 HydrophobicContact CB-CG2 3.83Å; I131-V134 HydrophobicContact CG2-CB 4.25Å; I131-V134 HydrophobicContact CG2-CG2 3.51Å; I131-V134 PolarHBondContact O-N 3.03Å; I131-V134 VanDerWaalsContact O-N 3.07Å; P132-V134 VanDerWaalsContact C-N 3.34Å; V134-S138 WeakPolarHBondContact CG1-OG 2.86Å; V134-L139 HydrophobicContact CG1-CD1 4.15Å; V134-L139 HydrophobicContact CG1-CD2 4.46Å; V134-L139 HydrophobicContact CG1-CG 4.01Å
135L74.9Confident74.2Confident142 Ų14293.2 Ų93.274%0.74356%0.555SS**PPolyproline II helixtrans-69.8143.8176.5-65.8175.1000110.8G137 S138L135-G137 PolarHBondContact O-N 2.95Å; L135-S138 VanDerWaalsContact O-CB 3.24Å; L135-S138 WeakPolarHBondContact O-CB 3.05Å; L135-S138 PolarHBondContact O-N 2.99Å; L135-S138 PolarHBondContact O-OG 3.07Å
136Q76.5Confident73.8Confident205 Ų20593.1 Ų93.196%0.95853%0.533SS*.THydrogen-bonded Turntrans-56.7130.5174.4-170.6178.312.100110.4S138Q136-S138 PolarHBondContact O-N 3.09Å
137G77Confident73.3Confident75 Ų7589.7 Ų89.777%0.77352%0.522SS*.THydrogen-bonded Turntrans74.93.8-178.700000115.3L135 L139L135-G137 PolarHBondContact O-N 2.95Å; G137-L139 VanDerWaalsContact C-N 3.27Å
138S77.5Confident73.2Confident65 Ų6591.1 Ų91.146%0.45552%0.523SS..  trans-70.8-25.2173.862.40000113.2V134 L135 Q136V134-S138 WeakPolarHBondContact CG1-OG 2.86Å; L135-S138 VanDerWaalsContact O-CB 3.24Å; L135-S138 WeakPolarHBondContact O-CB 3.05Å; L135-S138 PolarHBondContact O-N 2.99Å; L135-S138 PolarHBondContact O-OG 3.07Å; Q136-S138 PolarHBondContact O-N 3.09Å
139L72.6Confident72.6Confident89 Ų8991.8 Ų91.847%0.46653%0.53SS..SBendtrans-89.2128175.7-59.7178.3000110.1V134 G137 D143 M145V134-L139 HydrophobicContact CG1-CD1 4.15Å; V134-L139 HydrophobicContact CG1-CD2 4.46Å; V134-L139 HydrophobicContact CG1-CG 4.01Å; G137-L139 VanDerWaalsContact C-N 3.27Å; L139-D143 WeakPolarHBondContact CA-OD2 3.41Å; L139-M145 HydrophobicContact CD1-CE 3.95Å
140K79.2Confident72.3Confident144 Ų14492.3 Ų92.363%0.62654%0.537SS*.  trans-80.6152.1169.8-63.5-179-179.9179.40109.6T142 D143K140-T142 PolarHBondContact O-N 3.44Å; K140-D143 PolarHBondContact N-OD2 2.86Å; K140-D143 VanDerWaalsContact O-CB 3.31Å; K140-D143 WeakPolarHBondContact O-CB 3.48Å; K140-D143 PolarHBondContact O-N 3.4Å
141P71.5Confident72.1Confident140 Ų14093.4 Ų93.491%0.90955%0.547SS*.THydrogen-bonded Turntrans-57.1-23.3172.9-25.734.9000114.2D143P141-D143 VanDerWaalsContact C-N 3.31Å
142T74.8Confident71.9Confident118 Ų11897.1 Ų97.172%0.72457%0.572SS**THydrogen-bonded Turntrans-80.8-9.817753.50000113.6K140K140-T142 PolarHBondContact O-N 3.44Å
143D73.6Confident71.5Confident63 Ų6396.5 Ų96.534%0.33757%0.569SS.*  trans-75.3136.7-177.9-63.7-17.9000110L139 K140 P141L139-D143 WeakPolarHBondContact CA-OD2 3.41Å; K140-D143 PolarHBondContact N-OD2 2.86Å; K140-D143 VanDerWaalsContact O-CB 3.31Å; K140-D143 WeakPolarHBondContact O-CB 3.48Å; K140-D143 PolarHBondContact O-N 3.4Å; P141-D143 VanDerWaalsContact C-N 3.31Å
144S72.7Confident71.1Confident53 Ų5397.4 Ų97.437%0.37156%0.559SS.*  trans-90.8136.1176.252.20000111.3K297S144-K297 PolarHBondContact OG-N 3.29Å; S144-K297 PolarHBondContact OG-O 3.06Å
145M68Low70.4Confident89 Ų89102.6 Ų102.644%0.43858%0.581SS.*  trans-120128.4173.1-174.7-175.2-63.400108.8I131 L139 V147I131-M145 HydrophobicContact CD1-CE 3.51Å; I131-M145 HydrophobicContact CD1-SD 4.26Å; L139-M145 HydrophobicContact CD1-CE 3.95Å; M145-V147 HydrophobicContact CG-CG2 4.27Å; M145-V147 HydrophobicContact SD-CG2 4.26Å
146I66.9Low69.4Low83 Ų83103.4 Ų103.443%0.42658%0.58SS.*  trans-104.9141.4167.9-65.4170.3000107.3G294 H295I146-G294 WeakPolarHBondContact O-CA 3.36Å; I146-H295 WeakPolarHBondContact CB-O 3.22Å; I146-H295 HydrophobicContact CD1-CB 4.31Å; I146-H295 VanDerWaalsContact CD1-O 3.24Å; I146-H295 WeakPolarHBondContact CD1-O 3.2Å; I146-H295 WeakPolarHBondContact CG1-O 3.29Å; I146-H295 PolarHBondContact N-O 3.49Å
147V66.6Low68.4Low66 Ų66101.7 Ų101.740%0.457%0.57SS.*  trans-122.5112.8179.1179.10000107.1I117 M145 I149 I292I117-V147 HydrophobicContact CD1-CG2 4.21Å; M145-V147 HydrophobicContact CG-CG2 4.27Å; M145-V147 HydrophobicContact SD-CG2 4.26Å; V147-I149 HydrophobicContact CG1-CG1 4.21Å; V147-I292 HydrophobicContact CB-CG2 4.39Å; V147-I292 HydrophobicContact CG1-CG2 3.44Å; V147-I292 VanDerWaalsContact CG1-CG2 3.44Å
148K67.6Low66.6Low93 Ų93105.4 Ų105.440%0.40457%0.567SS.*  trans-94123172.6-67.4169.5174.3174.20109.2I292 S293 H295K148-I292 WeakPolarHBondContact O-CA 3.31Å; K148-I292 WeakPolarHBondContact O-CG2 3.49Å; K148-S293 WeakPolarHBondContact CB-O 2.72Å; K148-S293 WeakPolarHBondContact CD-O 3.42Å; K148-S293 WeakPolarHBondContact CG-O 2.8Å; K148-S293 PolarHBondContact N-O 3.46Å; K148-H295 PolarHBondContact NZ-CD2 3.44Å; K148-H295 PolarHBondContact NZ-NE2 3.3Å
149I65.3Low64.8Low117 Ų117109.6 Ų109.660%0.658%0.583SS**  trans-107.6115.6173.5-57.7171.4000107.1V147 V151V147-I149 HydrophobicContact CG1-CG1 4.21Å; I149-V151 HydrophobicContact CG2-CG2 4.22Å; I149-V151 PolarHBondContact O-N 3.07Å
150N67.9Low63.2Low99 Ų99110.4 Ų110.453%0.52960%0.597SS.*  trans-77.3100.9171.1-66.3-27000108.2P290 V291N150-P290 HydrophobicContact CB-CB 3.91Å; N150-P290 VanDerWaalsContact O-CB 3.24Å; N150-P290 WeakPolarHBondContact O-CB 3.49Å; N150-V291 PolarHBondContact ND2-O 3.15Å
151V69.6Low61.2Low117 Ų117112.4 Ų112.471%0.70961%0.608SS**PPolyproline II helixtrans-82129.6170.4-173.50000107.6I149 S153I149-V151 HydrophobicContact CG2-CG2 4.22Å; I149-V151 PolarHBondContact O-N 3.07Å; V151-S153 PolarHBondContact O-N 3.28Å
152P68.5Low59.7Low91 Ų91111.6 Ų111.659%0.59160%0.6SS**PPolyproline II helixtrans-58.5133.317422.6-31000110.1
153S63.4Low57.7Low48 Ų48116.2 Ų116.234%0.33661%0.606SS.*PPolyproline II helixtrans-57.1136.3174.4168.60000110.1V151 E155 H156V151-S153 PolarHBondContact O-N 3.28Å; S153-E155 PolarHBondContact O-N 2.8Å; S153-E155 WeakPolarHBondContact OG-CG 3.36Å; S153-E155 PolarHBondContact OG-N 3.32Å; S153-H156 PolarHBondContact O-N 3.39Å
154P64.4Low55.9Low105 Ų105120.6 Ų120.668%0.68263%0.629SS**G310 helixtrans-57-18.9176.8-22.831.9000114.3H156 F157P154-H156 PolarHBondContact O-N 3.41Å; P154-F157 PolarHBondContact O-N 2.78Å
155E60.6Low53.9Low153 Ų153126.7 Ų126.772%0.71565%0.652SS**G310 helixtrans-61-17-179.4-65.1170.9178.300113.1S153 H158S153-E155 PolarHBondContact O-N 2.8Å; S153-E155 WeakPolarHBondContact OG-CG 3.36Å; S153-E155 PolarHBondContact OG-N 3.32Å; E155-H158 PolarHBondContact O-CD2 3.09Å
156H54.2Low52.5Low159 Ų159126.5 Ų126.574%0.73666%0.659SS**G310 helixtrans-86.30.7174.1-66.4-59.7000114.7S153 P154 H158S153-H156 PolarHBondContact O-N 3.39Å; P154-H156 PolarHBondContact O-N 3.41Å; H156-H158 VanDerWaalsContact C-N 3.33Å; H156-H158 PolarHBondContact O-N 3.26Å
157F53.7Low50.9Low168 Ų168128.4 Ų128.474%0.73768%0.68SS**  trans-96.350.4169.9-63.7-80.2000111.5P154P154-F157 PolarHBondContact O-N 2.78Å
158H40.3Very low49.3Very low153 Ų153132.4 Ų132.471%0.70869%0.692SS**  trans-89.2121.8166-95.7-89.8000109.3E155 H156E155-H158 PolarHBondContact O-CD2 3.09Å; H156-H158 VanDerWaalsContact C-N 3.33Å; H156-H158 PolarHBondContact O-N 3.26Å
159L40.2Very low47.7Very low153 Ų153128 Ų12880%0.80167%0.674SS**  trans8299.6159.6-48169.9000116.1
160S38.2Very low46.2Very low107 Ų107126.8 Ų126.875%0.74867%0.668SS**  162.4113.3108.7-740000107.3
161E37.9Very low44.5Very low185 Ų185125 Ų12586%0.86466%0.664SS**  trans160.7102.2145.2-88.3166.1-164.300107.8
162V40.3Very low43.1Very low123 Ų123123.5 Ų123.575%0.74566%0.656SS**  107.6106.771.4156.90000107.9
163Y32.4Very low41.3Very low215 Ų215128.7 Ų128.784%0.84367%0.673SS**  trans37.9116.7143.5-77.5-94000120.2Q165Y163-Q165 PolarHBondContact O-N 3.13Å
164D35.4Very low39.9Very low156 Ų156132.2 Ų132.283%0.83469%0.692SS**  trans-27.6122.6145.7-75.8-53.5000114.1
165Q31.7Very low38.3Very low181 Ų181137.2 Ų137.285%0.84671%0.706SS**  trans-155.8100.7144.9-117167.566.100112.7Y163Y163-Q165 PolarHBondContact O-N 3.13Å
166S36.7Very low36.9Very low84 Ų84132.5 Ų132.559%0.58770%0.699SS**  trans56.5109.6136.163.10000120.2F168S166-F168 PolarHBondContact O-N 2.97Å
167S34.3Very low35.9Very low123 Ų123132 Ų13286%0.8671%0.707SS**  trans-38.6113.6146.6-62.40000113
168F32.5Very low34.9Very low150 Ų150129.5 Ų129.566%0.65871%0.71SS**BIsolated β-bridgetrans-108.8138147.8-92.9-92.6000107S166 T183S166-F168 PolarHBondContact O-N 2.97Å; F168-T183 VanDerWaalsContact C-OG1 3.23Å; F168-T183 CarbonylContact O-C 3.43Å; F168-T183 WeakPolarHBondContact O-CA 3.42Å; F168-T183 WeakPolarHBondContact O-CB 3.5Å; F168-T183 PolarHBondContact O-N 2.85Å; F168-T183 PolarHBondContact O-OG1 2.83Å
169G34.4Very low34.4Very low2 Ų2131.4 Ų131.42%0.02172%0.72CS.*  trans157.672.414700000123R181 E182 T183G169-R181 CarbonylContact C-O 2.69Å; G169-R181 WeakPolarHBondContact CA-O 3.46Å; G169-R181 PolarHBondContact N-O 3Å; G169-R181 VanDerWaalsContact N-O 3.15Å; G169-R181 CarbonylContact O-C 2.76Å; G169-R181 WeakPolarHBondContact O-CA 3.17Å; G169-R181 WeakPolarHBondContact O-CB 3.46Å; G169-E182 CarbonylContact O-C 2.87Å; G169-E182 PolarHBondContact O-N 3.35Å; G169-T183 VanDerWaalsContact CA-N 3.31Å; G169-T183 WeakPolarHBondContact CA-OG1 3.2Å; G169-T183 PolarHBondContact O-N 3.21Å
170N33.7Very low33.9Very low90 Ų90128.3 Ų128.348%0.48170%0.704SS.*  76.568.2125.8-55.2-21.5000122.6N180 R181 T183N170-N180 WeakPolarHBondContact CA-OD1 3.13Å; N170-N180 PolarHBondContact N-OD1 2.92Å; N170-R181 VanDerWaalsContact C-CD 3.4Å; N170-R181 PolarHBondContact N-O 3.02Å; N170-R181 WeakPolarHBondContact O-CD 3.42Å; N170-R181 PolarHBondContact O-NH1 3.03Å; N170-T183 HydrophobicContact CB-CG2 4.38Å
171S32.2Very low33.6Very low62 Ų62129.1 Ų129.143%0.43469%0.69SS.*  trans-114.3138.2166.1-150.30000112.1N180 R181S171-N180 PolarHBondContact N-OD1 3.33Å; S171-R181 VanDerWaalsContact CA-CD 3.49Å; S171-R181 WeakPolarHBondContact OG-CG 3.08Å
172P41.3Very low33.3Very low85 Ų85128.6 Ų128.655%0.55269%0.688SS**  trans-86.9147.8-155.134.6-30.5000112.3T174P172-T174 PolarHBondContact O-N 2.75Å; P172-T174 VanDerWaalsContact O-N 3.09Å
173Q28.8Very low33.2Very low201 Ų201125.4 Ų125.494%0.93967%0.669SS**  trans6.488.2156.1-71.3-178.6-33.100115.6
174T35.3Very low33.5Very low121 Ų121120.9 Ų120.974%0.74267%0.668SS**  trans-125.2128.6143.8-41.40000105.1P172 G176P172-T174 PolarHBondContact O-N 2.75Å; P172-T174 VanDerWaalsContact O-N 3.09Å; T174-G176 PolarHBondContact O-N 3.24Å
175E31.5Very low33.6Very low210 Ų210119 Ų11998%0.98166%0.663SS**SBendtrans-59.191.4170.8-70.3176.7154.600108.1
176G29.6Very low34Very low54 Ų54115.9 Ų115.956%0.55766%0.656SS**SBendtrans-176.392.2-168.600000105T174 S178T174-G176 PolarHBondContact O-N 3.24Å; G176-S178 PolarHBondContact O-N 2.99Å
177V33.2Very low34Very low149 Ų149117.1 Ų117.190%0.90366%0.664SS**SBendtrans-4695.2-179177.40000110.2
178S34Very low34.2Very low116 Ų116116.6 Ų116.681%0.81166%0.656SS**  trans177.6121.4157.4-75.50000109.6G176G176-S178 PolarHBondContact O-N 2.99Å
179Q29.5Very low34.6Very low193 Ų193112.8 Ų112.890%0.90265%0.648SS**  trans-77.8138.6-168.1-64164.1-20.600113
180N29.7Very low35.1Very low87 Ų87123.6 Ų123.647%0.46569%0.688SS.*  trans61.9124.2147.9-88.3-8.7000122.5N170 S171N170-N180 WeakPolarHBondContact CA-OD1 3.13Å; N170-N180 PolarHBondContact N-OD1 2.92Å; S171-N180 PolarHBondContact N-OD1 3.33Å
181R30.9Very low35.7Very low125 Ų125128.3 Ų128.347%0.47271%0.705SS.*  trans-45.4166.8155-99.3154.8174.9160.5-4.5109.5G169 N170 S171G169-R181 CarbonylContact C-O 2.69Å; G169-R181 WeakPolarHBondContact CA-O 3.46Å; G169-R181 PolarHBondContact N-O 3Å; G169-R181 VanDerWaalsContact N-O 3.15Å; G169-R181 CarbonylContact O-C 2.76Å; G169-R181 WeakPolarHBondContact O-CA 3.17Å; G169-R181 WeakPolarHBondContact O-CB 3.46Å; N170-R181 VanDerWaalsContact C-CD 3.4Å; N170-R181 PolarHBondContact N-O 3.02Å; N170-R181 WeakPolarHBondContact O-CD 3.42Å; N170-R181 PolarHBondContact O-NH1 3.03Å; S171-R181 VanDerWaalsContact CA-CD 3.49Å; S171-R181 WeakPolarHBondContact OG-CG 3.08Å
182E32.9Very low36Very low174 Ų174129 Ų12981%0.81372%0.715SS**  51.166.269.7-43175.116000117.8G169G169-E182 CarbonylContact O-C 2.87Å; G169-E182 PolarHBondContact O-N 3.35Å
183T37.5Very low35.9Very low55 Ų55130.8 Ų130.834%0.33772%0.724SS.*BIsolated β-bridgetrans-125.590.2145.557.50000108.9F168 G169 N170 T185F168-T183 VanDerWaalsContact C-OG1 3.23Å; F168-T183 CarbonylContact O-C 3.43Å; F168-T183 WeakPolarHBondContact O-CA 3.42Å; F168-T183 WeakPolarHBondContact O-CB 3.5Å; F168-T183 PolarHBondContact O-N 2.85Å; F168-T183 PolarHBondContact O-OG1 2.83Å; G169-T183 VanDerWaalsContact CA-N 3.31Å; G169-T183 WeakPolarHBondContact CA-OG1 3.2Å; G169-T183 PolarHBondContact O-N 3.21Å; N170-T183 HydrophobicContact CB-CG2 4.38Å; T183-T185 PolarHBondContact O-N 3.35Å; T183-T185 VanDerWaalsContact O-N 3.09Å
184S38.8Very low36.5Very low120 Ų120127 Ų12784%0.83972%0.72SS**  trans-73.484.4150.4-174.40000106.7V186S184-V186 PolarHBondContact O-N 2.78Å; S184-V186 VanDerWaalsContact O-N 3.16Å
185T37.1Very low37Very low118 Ų118125.3 Ų125.372%0.72471%0.712SS**  trans-72.510516440.50000107.4T183 S187T183-T185 PolarHBondContact O-N 3.35Å; T183-T185 VanDerWaalsContact O-N 3.09Å; T185-S187 PolarHBondContact O-N 3.26Å
186V40.2Very low37.4Very low114 Ų114124.2 Ų124.269%0.69171%0.705SS**  trans-35.7100.5165.9-176.40000110.4S184 T188S184-V186 PolarHBondContact O-N 2.78Å; S184-V186 VanDerWaalsContact O-N 3.16Å; V186-T188 PolarHBondContact O-N 3.31Å; V186-T188 PolarHBondContact O-OG1 3.37Å
187S36.6Very low37.9Very low110 Ų110130 Ų13077%0.76972%0.717SS**  trans-64.396.8158-179.10000106.1T185 S189T185-S187 PolarHBondContact O-N 3.26Å; S187-S189 PolarHBondContact O-N 3.08Å
188T39.4Very low38.1Very low112 Ų112130.7 Ų130.769%0.68771%0.71SS**  trans-75.672.7176.8-500000107.5V186 R190V186-T188 PolarHBondContact O-N 3.31Å; V186-T188 PolarHBondContact O-OG1 3.37Å; T188-R190 PolarHBondContact O-N 2.86Å
189S39.1Very low38.1Very low71 Ų71131.7 Ų131.750%0.49771%0.707SS.*  trans-74.3114.6163.6-178.90000107.5S187 F191 A192S187-S189 PolarHBondContact O-N 3.08Å; S189-F191 PolarHBondContact O-N 3.13Å; S189-A192 PolarHBondContact O-N 3.13Å
190R45.4Very low38.2Very low228 Ų228127.3 Ų127.386%0.8669%0.693SS**THydrogen-bonded Turntrans-63.51.7-174.3-61.8-173-85.1-140.3-1.8114.8T188T188-R190 PolarHBondContact O-N 2.86Å
191F47.7Very low38.5Very low189 Ų189131.9 Ų131.983%0.82971%0.712SS**THydrogen-bonded Turntrans-119.31.8-178.4-64.4-69.6000114.6S189 T193S189-F191 PolarHBondContact O-N 3.13Å; F191-T193 PolarHBondContact O-N 3.48Å
192A37.8Very low38.5Very low78 Ų78134.3 Ų134.365%0.64573%0.728SS**  trans-98.884.717500000110.1S189 S194S189-A192 PolarHBondContact O-N 3.13Å; A192-S194 PolarHBondContact O-N 3.24Å; A192-S194 VanDerWaalsContact O-N 3.15Å
193T39.4Very low38.3Very low121 Ų121134.1 Ų134.174%0.74273%0.729SS**  trans-65.9107.7161.247.80000108.2F191 C195F191-T193 PolarHBondContact O-N 3.48Å; T193-C195 PolarHBondContact O-N 2.85Å; T193-C195 VanDerWaalsContact O-N 3.07Å; T193-C195 PolarHBondContact O-SG 3.25Å; T193-C195 VanDerWaalsContact O-SG 3.35Å
194S41.6Very low38.1Very low121 Ų121140.2 Ų140.285%0.84676%0.756SS**  trans-74.885.2169.658.20000109.2A192A192-S194 PolarHBondContact O-N 3.24Å; A192-S194 VanDerWaalsContact O-N 3.15Å
195C45.6Very low37.8Very low87 Ų87140.8 Ų140.859%0.58876%0.76SS**  trans-92.78.5179.1-190000114.2T193T193-C195 PolarHBondContact O-N 2.85Å; T193-C195 VanDerWaalsContact O-N 3.07Å; T193-C195 PolarHBondContact O-SG 3.25Å; T193-C195 VanDerWaalsContact O-SG 3.35Å
196F40Very low37.4Very low187 Ų187137.8 Ų137.882%0.8275%0.753SS**  trans-132.167.1-175.4-67.7-76.8000111.8Q198F196-Q198 PolarHBondContact O-N 3.27Å
197E39.5Very low37Very low176 Ų176141.3 Ų141.382%0.82276%0.761SS**  trans-81.182.3154-136-177.7-173.500107.2N199E197-N199 PolarHBondContact O-N 2.88Å
198Q36.3Very low37Very low162 Ų162146.3 Ų146.376%0.75777%0.765SS**  trans-80.775.1175.4-157174.35.100108.2F196 T200F196-Q198 PolarHBondContact O-N 3.27Å; Q198-T200 PolarHBondContact O-N 2.9Å
199N35.1Very low36.9Very low138 Ų138146.6 Ų146.674%0.73877%0.771SS**  trans-73.881.9171.6-115.4-39000108.9E197 H201E197-N199 PolarHBondContact O-N 2.88Å; N199-H201 PolarHBondContact O-N 3.17Å; N199-H201 VanDerWaalsContact O-N 3.16Å
200T31.4Very low36.8Very low101 Ų101149.9 Ų149.962%0.6279%0.789SS**  trans-70.697.5159.437.30000107.5Q198Q198-T200 PolarHBondContact O-N 2.9Å
201H36.7Very low36.2Very low183 Ų183145 Ų14585%0.84779%0.785SS**  trans-166113.7133.8-83.4-55.4000108.2N199N199-H201 PolarHBondContact O-N 3.17Å; N199-H201 VanDerWaalsContact O-N 3.16Å
202Q30Very low35.9Very low176 Ų176143.8 Ų143.882%0.82278%0.783SS**  trans-48.1137.8167.3-63.7164.87.100110.2
203M29.4Very low35.8Very low170 Ų170145.3 Ų145.384%0.83779%0.787SS**  167.1147.4113.2-83.4-168.1-163.400110.2
204M33.8Very low35.4Very low182 Ų182150 Ų15090%0.89779%0.793SS**  trans88.984.6173-58.1176.170.600117.5
205S30.8Very low35.1Very low132 Ų132150.8 Ų150.892%0.92379%0.792SS**  37.8120.6117.5-162.80000118.7
206G30.2Very low34.5Very low55 Ų55150.5 Ų150.557%0.56779%0.791SS**  trans147.6103.9155.300000114.7Y208G206-Y208 PolarHBondContact O-N 3.39Å
207H31.8Very low34.1Very low189 Ų189148 Ų14888%0.87579%0.786SS**  trans-50.3119.9170.4-60.9-88.9000113.3
208Y36Very low33.9Very low214 Ų214147.4 Ų147.484%0.83979%0.787SS**  trans-144111.8155.2-68.8-74.5000110.5G206 T210G206-Y208 PolarHBondContact O-N 3.39Å; Y208-T210 PolarHBondContact O-N 3.35Å
209S38.3Very low33.6Very low118 Ų118146.9 Ų146.983%0.82579%0.789SS**  trans-59.5112.6166.5-58.70000109.9T211S209-T211 PolarHBondContact O-N 3.08Å
210T35.8Very low33.5Very low141 Ų141145.7 Ų145.787%0.86579%0.791SS**  trans-84.488.8173.731.90000110.2Y208Y208-T210 PolarHBondContact O-N 3.35Å
211T32.6Very low33.3Very low126 Ų126147 Ų14777%0.77380%0.795SS**PPolyproline II helixtrans-68.5128.9162.5-16.90000108.8S209S209-T211 PolarHBondContact O-N 3.08Å
212M42.9Very low33.2Very low162 Ų162146.8 Ų146.880%0.79880%0.799SS**PPolyproline II helixtrans-60.4138.1177.1-68-71.1-76.600110.9Y214M212-Y214 PolarHBondContact O-N 3.4Å
213P34.7Very low33.2Very low111 Ų111145.6 Ų145.672%0.72179%0.793SS**PPolyproline II helixtrans-72.4118.2179.128.2-31000110.1T215P213-T215 PolarHBondContact O-N 3.46Å
214Y31.4Very low33.1Very low220 Ų220142.1 Ų142.186%0.86379%0.785SS**  trans-63.6115.2162-83-98000108.5M212M212-Y214 PolarHBondContact O-N 3.4Å
215T35.3Very low33Very low137 Ų137141.1 Ų141.184%0.8478%0.783SS**  trans-100.289158.657.20000107.5P213P213-T215 PolarHBondContact O-N 3.46Å
216S32.3Very low32.8Very low81 Ų81141.9 Ų141.957%0.56678%0.777SS**  trans-75.7153.4154.950.10000109.4
217D30.9Very low32.9Very low133 Ų133145 Ų14571%0.71179%0.788SS**  trans84102.3160.1-42.9-45.3000117.3
218I36Very low32.7Very low164 Ų164142.9 Ų142.984%0.84178%0.783SS**  -149.2111.4111.2-58.3-165.2000109.1
219L30.9Very low33.1Very low152 Ų152138 Ų13880%0.79678%0.777SS**  trans-63.9132.4160.6-75.8119.4000110.7
220S31.4Very low32.7Very low112 Ų112137.2 Ų137.278%0.78377%0.771SS**  trans-141.798.6147.549.90000110.6
221N28.2Very low32.5Very low130 Ų130136.8 Ų136.870%0.69576%0.764SS**  trans-2113.4151.1-64.4-32.5000117.1
222L34.9Very low32.4Very low178 Ų178136 Ų13693%0.93276%0.764SS**  trans-114.1120.9138.3-159.969.2000108.2
223H28.9Very low31.8Very low150 Ų150138.3 Ų138.369%0.69477%0.765SS**  trans-69.8150.6-170-79.370.4000113.3
224S28.1Very low31.6Very low97 Ų97140.9 Ų140.968%0.67877%0.767SS**  trans59.7103.4141.356.60000118.9
225N31.3Very low31.8Very low162 Ų162138.5 Ų138.587%0.86677%0.769SS**  -163.4108.6100.6-89.1-32.1000109.5
226N27.9Very low31.5Very low148 Ų148138.6 Ų138.679%0.79176%0.764SS**  trans-109.2103.9179.9-164.127.5000106.8N228N226-N228 PolarHBondContact O-N 2.99Å
227P31.5Very low31.3Very low121 Ų121140.1 Ų140.179%0.78677%0.774SS**  trans-79.7115.51628.18.3000108.2
228N28.1Very low31.5Very low144 Ų144139.7 Ų139.777%0.7778%0.777SS**  trans-63.5160.2174.7-138.59.8000111.2N226N226-N228 PolarHBondContact O-N 2.99Å
229P43.6Very low31.4Very low111 Ų111138.7 Ų138.772%0.72177%0.773SS**  trans-99142.2-163.937.8-32000113.1
230S30.8Very low31.7Very low101 Ų101137.7 Ų137.771%0.70677%0.774SS**  trans-164.4106157.946.50000107.3
231D30.3Very low31.9Very low133 Ų133139.7 Ų139.771%0.71178%0.776SS**  trans17091.6131.7-77.1-17.1000109.7Y233D231-Y233 PolarHBondContact O-N 2.85Å
232S30.9Very low32.5Very low110 Ų110141.7 Ų141.777%0.76978%0.778SS**  trans-60.2113.1165.341.50000111.4
233Y31.5Very low32.8Very low209 Ų209136.8 Ų136.882%0.8276%0.759SS**  trans-97100.5155.2-68.7-80.7000108.7D231 L235D231-Y233 PolarHBondContact O-N 2.85Å; Y233-L235 PolarHBondContact O-N 3.34Å
234Q28.6Very low33.2Very low166 Ų166135.5 Ų135.578%0.77676%0.757SS**  trans-67.1113.7163.8-70.5-179-10.300108.5
235L36.7Very low33.8Very low170 Ų170134.4 Ų134.489%0.8975%0.754SS**  trans-110.5111.2157.3-74.8174.8000108Y233Y233-L235 PolarHBondContact O-N 3.34Å
236N28.4Very low34Very low139 Ų139132.9 Ų132.974%0.74374%0.741SS**  trans-71.2154.3176.1-83.5-23.7000112.2
237S29.1Very low34.5Very low112 Ų112133 Ų13378%0.78374%0.741SS**  trans76.3132.4159.8-59.60000116.1
238T34.4Very low35.2Very low125 Ų125135 Ų13577%0.76774%0.744SS**  cis-157.3146.132.1-26.70000109.3T240T238-T240 PolarHBondContact O-N 3.16Å; T238-T240 VanDerWaalsContact O-N 3.16Å
239D33.9Very low35.3Very low142 Ų142138.9 Ų138.976%0.75975%0.748SS**  trans-56.8108.7178.8-67.6-69.6000113.3
240T37.9Very low34.8Very low132 Ų132140 Ų14081%0.8176%0.757SS**  trans-128.9116160.328.60000110T238T238-T240 PolarHBondContact O-N 3.16Å; T238-T240 VanDerWaalsContact O-N 3.16Å
241N35.5Very low34.9Very low153 Ų153138.9 Ų138.982%0.81876%0.761SS**  trans26.491.7167.2-96.5-28.5000117.8S243N241-S243 PolarHBondContact O-N 3.31Å
242K40.2Very low35.1Very low172 Ų172138.7 Ų138.775%0.74877%0.765SS**THydrogen-bonded Turntrans-73.747.1174.3-71.8177.9173.6160.60114.3H246K242-H246 PolarHBondContact O-CE1 3.47Å; K242-H246 PolarHBondContact O-NE2 3.36Å
243S42.4Very low35.3Very low75 Ų75139.3 Ų139.352%0.52477%0.765SS.*THydrogen-bonded Turntrans-115.3-13.2172.657.80000116N241 H246N241-S243 PolarHBondContact O-N 3.31Å; S243-H246 PolarHBondContact O-CD2 2.82Å; S243-H246 PolarHBondContact O-NE2 3.16Å
244D36.4Very low35.4Very low124 Ų124135.3 Ų135.366%0.66376%0.762SS**SBendtrans-121.2-4.5179.8-75-39.8000115.1H246D244-H246 PolarHBondContact O-N 2.89Å
245A39.6Very low35.4Very low74 Ų74135.9 Ų135.961%0.61277%0.765SS**THydrogen-bonded Turntrans-75.4-7.7-179.300000114.2
246H35.8Very low35.1Very low129 Ų129133.9 Ų133.960%0.59776%0.764SS**THydrogen-bonded Turntrans-80.1-22.9-177.9-22.1-65.6000113.2K242 S243 D244 L248K242-H246 PolarHBondContact O-CE1 3.47Å; K242-H246 PolarHBondContact O-NE2 3.36Å; S243-H246 PolarHBondContact O-CD2 2.82Å; S243-H246 PolarHBondContact O-NE2 3.16Å; D244-H246 PolarHBondContact O-N 2.89Å; H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 2.81Å
247L39.6Very low35.2Very low152 Ų152132.3 Ų132.380%0.79676%0.763SS**THydrogen-bonded Turntrans-81.3-9.7-177.8-67.2179.4000113.4
248L45.4Very low35.3Very low161 Ų161133.5 Ų133.584%0.84377%0.766SS**THydrogen-bonded Turntrans-108.123.5-177.1-63.2175.5000113.4H246H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 2.81Å
249R31Very low35.3Very low227 Ų227135.4 Ų135.486%0.85777%0.77SS**  trans-124.773.1176.7-166.4163.7172.9156.1-3.7112.3
250C32.1Very low35.1Very low134 Ų134133.3 Ų133.391%0.90577%0.766SS**  trans-157.3105.5146.9-138.40000109.5
251G34.1Very low34.6Very low77 Ų77132 Ų13279%0.79476%0.763SS**  trans165.366.1-178.300000110.1T253G251-T253 PolarHBondContact O-N 3Å
252T34.5Very low34.3Very low130 Ų130131.9 Ų131.980%0.79876%0.762SS**  trans-63.7121.2170.444.10000109.6
253T33.9Very low34.2Very low123 Ų123129.3 Ų129.376%0.75576%0.763SS**  trans53.1113.9144.4610000115.9G251G251-T253 PolarHBondContact O-N 3Å
254T32.9Very low33.4Very low125 Ų125131.5 Ų131.577%0.76778%0.777SS**SBend-168.7149.866.1-47.60000107.4
255E28.9Very low33Very low177 Ų177131.4 Ų131.483%0.82779%0.786SS**  trans85.345.2173.6-44.2-174.6-154.300117.5S257E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 3.36Å
256C30.3Very low32.5Very low129 Ų129133.5 Ų133.587%0.87280%0.796SS**  trans-81.486.7150.7-66.50000108.5T258C256-T258 PolarHBondContact O-N 3.34Å
257S31.9Very low32.2Very low105 Ų105131.8 Ų131.873%0.73480%0.798SS**  trans-58.2105.1161.5-67.40000108E255 I259E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 3.36Å; S257-I259 PolarHBondContact O-N 3.09Å
258T30.3Very low31.7Very low137 Ų137134.3 Ų134.384%0.8480%0.797SS**  trans-54.299.5166.533.90000108.6C256 S260C256-T258 PolarHBondContact O-N 3.34Å; T258-S260 VanDerWaalsContact C-N 3.32Å; T258-S260 PolarHBondContact O-N 3.45Å
259I35.6Very low31.2Very low166 Ų166135.8 Ų135.885%0.85180%0.797SS**  trans-69.3100.5164-58.3174.1000105.2S257 S261S257-I259 PolarHBondContact O-N 3.09Å; I259-S261 PolarHBondContact O-N 3.08Å
260S28.2Very low31.3Very low97 Ų97130.2 Ų130.268%0.67879%0.79SS**  trans-54.8124.2173.160.40000109.4T258 N262T258-S260 VanDerWaalsContact C-N 3.32Å; T258-S260 PolarHBondContact O-N 3.45Å; S260-N262 PolarHBondContact O-N 3.32Å
261S28.7Very low31.1Very low105 Ų105128.2 Ų128.273%0.73478%0.778SS**  trans-65.799.5171.751.40000110.3I259 P263I259-S261 PolarHBondContact O-N 3.08Å; S261-P263 WeakPolarHBondContact O-CD 3.24Å
262N27.4Very low31.4Very low151 Ų151131 Ų13181%0.80778%0.78SS**  trans-95.7102151.4-92.58.1000107.6S260 C264S260-N262 PolarHBondContact O-N 3.32Å; N262-C264 PolarHBondContact O-N 2.8Å
263P38.7Very low31.3Very low117 Ų117134.8 Ų134.876%0.7678%0.781SS**  trans-85.158.1-174.636-35.4000111.1S261S261-P263 WeakPolarHBondContact O-CD 3.24Å
264C26.4Very low31.3Very low121 Ų121137.1 Ų137.182%0.81878%0.783SS**  trans-153.572.7172.8-89.60000111.1N262N262-C264 PolarHBondContact O-N 2.8Å
265S28.5Very low31.1Very low122 Ų122141.8 Ų141.885%0.85379%0.787SS**  trans-155.381.8151.9-81.60000109
266S29.1Very low31.4Very low118 Ų118140.5 Ų140.583%0.82578%0.784SS**  trans-61.3140.3156.1-176.90000109.1
267S28.7Very low31.5Very low93 Ų93139.6 Ų139.665%0.6578%0.779SS**  trans80.589.5175.283.30000117.3
268R29.7Very low31.9Very low206 Ų206140.2 Ų140.278%0.77778%0.778SS**  -156.691.9124.9-109.1175.7-124.6-157.71108
269F33.6Very low32Very low191 Ų191140.5 Ų140.584%0.83878%0.775SS**  trans-44.4130.5153.5-69.9-90.3000108S271F269-S271 PolarHBondContact O-N 2.97Å
270P33.4Very low32.2Very low110 Ų110136.6 Ų136.671%0.71476%0.762SS**  trans-58.5116.1165.723.1-28.8000106.8V272P270-V272 PolarHBondContact O-N 2.99Å
271S28.2Very low32.5Very low92 Ų92135.4 Ų135.464%0.64377%0.765SS**  trans-55.1130.7173.353.60000108.5F269 Y273F269-S271 PolarHBondContact O-N 2.97Å; S271-Y273 PolarHBondContact O-N 2.71Å
272V39.5Very low32.8Very low137 Ų137135.8 Ų135.883%0.8376%0.758SS**THydrogen-bonded Turntrans-66.627.7-173.7-163.90000113.6P270P270-V272 PolarHBondContact O-N 2.99Å
273Y33.3Very low32.9Very low208 Ų208134.1 Ų134.182%0.81676%0.756SS**THydrogen-bonded Turntrans-137.222.7-179.4-75-75.2000114S271 R275S271-Y273 PolarHBondContact O-N 2.71Å; Y273-R275 PolarHBondContact O-N 2.82Å
274E33.6Very low33Very low173 Ų173133.9 Ų133.981%0.80876%0.757SS**  trans-73.591.8163.1-156.3162.5-151.500107.9I276E274-I276 PolarHBondContact O-N 3.35Å
275R29.7Very low33.4Very low223 Ų223134.9 Ų134.984%0.84275%0.754SS**  trans-42.3105.4172.3-69-170.4-92.9-176.6-6.2108.2Y273 S277Y273-R275 PolarHBondContact O-N 2.82Å; R275-S277 PolarHBondContact O-N 3.07Å
276I35.4Very low33.6Very low150 Ų150139.4 Ų139.477%0.76975%0.754SS**  trans-58.397.7157.740.1167.3000105.3E274 T278E274-I276 PolarHBondContact O-N 3.35Å; I276-T278 VanDerWaalsContact C-N 3.27Å; I276-T278 PolarHBondContact O-N 2.92Å
277S31.5Very low33.8Very low109 Ų109141.7 Ų141.776%0.76276%0.756SS**  trans-55.5100.9167.4-710000106.1R275 D279R275-S277 PolarHBondContact O-N 3.07Å; S277-D279 PolarHBondContact O-N 3.49Å
278T40.5Very low33.7Very low118 Ų118145.9 Ų145.972%0.72477%0.768SS**  trans-73.439.1168.854.40000109.9I276 S280I276-T278 VanDerWaalsContact C-N 3.27Å; I276-T278 PolarHBondContact O-N 2.92Å; T278-S280 PolarHBondContact O-N 3.02Å
279D33.1Very low33.9Very low143 Ų143144.8 Ų144.877%0.76576%0.763SS**  trans-75.863.6167.8-166.710.8000107.8S277 G281S277-D279 PolarHBondContact O-N 3.49Å; D279-G281 PolarHBondContact O-N 3.22Å
280S39.8Very low33.9Very low85 Ų85139 Ų13959%0.59475%0.745SS**  trans-6595.1157.452.20000105.3T278 L282T278-S280 PolarHBondContact O-N 3.02Å; S280-L282 PolarHBondContact O-N 2.96Å
281G33.6Very low33.9Very low72 Ų72136.7 Ų136.774%0.74273%0.729SS**  trans-6448.4170.400000112.8D279D279-G281 PolarHBondContact O-N 3.22Å
282L34.3Very low34.2Very low112 Ų112133.9 Ų133.959%0.58671%0.706SS**  trans-104.5130.3172.4-65.9179.8000108.2S280 S284S280-L282 PolarHBondContact O-N 2.96Å; L282-S284 PolarHBondContact O-N 3.29Å
283P30.7Very low33.9Very low116 Ų116128 Ų12875%0.75367%0.671SS**  trans-57.9127.7-175.322.1-31.8000110.4N285P283-N285 PolarHBondContact O-N 3.06Å
284S41Very low33.9Very low112 Ų112118.8 Ų118.878%0.78364%0.64SS**SBendtrans-68.771.2178.758.90000110.7L282L282-S284 PolarHBondContact O-N 3.29Å
285N34Very low33.8Very low142 Ų142113.1 Ų113.176%0.75961%0.613SS**  trans-16348.8170.3-90.3-36.7000112.1P283P283-N285 PolarHBondContact O-N 3.06Å
286Y32.7Very low33.9Very low218 Ų218105.8 Ų105.886%0.85559%0.586SS**  trans-140.6105.3157.5-85.2-77.6000111M288Y286-M288 PolarHBondContact O-N 3.24Å
287L32.8Very low33.7Very low166 Ų166106 Ų10687%0.86958%0.581SS**  trans-13.1119.1154.8-70.3144.1000113.7
288M28.3Very low34Very low180 Ų180105.7 Ų105.789%0.88757%0.569SS**  trans13.5106.3161.5-65.8-70.595.600116.3Y286Y286-M288 PolarHBondContact O-N 3.24Å
289R33.5Very low33.9Very low183 Ų183105.5 Ų105.569%0.69157%0.568SS**PPolyproline II helixtrans-64142.7174.6-75.7-176.5177.7-161.8-0.4111.6V291R289-V291 PolarHBondContact O-N 2.81Å
290P33Very low34.3Very low71 Ų71106.4 Ų106.446%0.46157%0.568SS.*PPolyproline II helixtrans-64.3125.5178.623.2-30.9000111.7N150N150-P290 HydrophobicContact CB-CB 3.91Å; N150-P290 VanDerWaalsContact O-CB 3.24Å; N150-P290 WeakPolarHBondContact O-CB 3.49Å
291V34.4Very low34.3Very low60 Ų60110.5 Ų110.536%0.36458%0.577SS.*PPolyproline II helixtrans-74.6127.6176.9171.80000110P115 N150 R289P115-V291 WeakPolarHBondContact O-CA 3.21Å; N150-V291 PolarHBondContact ND2-O 3.15Å; R289-V291 PolarHBondContact O-N 2.81Å
292I33.5Very low34.7Very low34 Ų34113.3 Ų113.317%0.17458%0.575CS.*  trans-98.2102.5-179.8-63.7175.5000110I117 V147 K148I117-I292 HydrophobicContact CB-CD1 4.5Å; I117-I292 HydrophobicContact CD1-CG2 3.67Å; I117-I292 HydrophobicContact CG1-CB 4.38Å; I117-I292 HydrophobicContact CG1-CG2 3.93Å; V147-I292 HydrophobicContact CB-CG2 4.39Å; V147-I292 HydrophobicContact CG1-CG2 3.44Å; V147-I292 VanDerWaalsContact CG1-CG2 3.44Å; K148-I292 WeakPolarHBondContact O-CA 3.31Å; K148-I292 WeakPolarHBondContact O-CG2 3.49Å
293S33.4Very low34.7Very low12 Ų12115 Ų1158%0.08459%0.585CS.*  trans-100.8143.3-178.3-172.30000111.9E113 K148E113-S293 WeakPolarHBondContact CG-OG 3.01Å; E113-S293 WeakPolarHBondContact OE1-CB 3.42Å; E113-S293 PolarHBondContact OE1-OG 3.24Å; K148-S293 WeakPolarHBondContact CB-O 2.72Å; K148-S293 WeakPolarHBondContact CD-O 3.42Å; K148-S293 WeakPolarHBondContact CG-O 2.8Å; K148-S293 PolarHBondContact N-O 3.46Å
294G32Very low35.1Very low16 Ų16114.3 Ų114.317%0.16558%0.583CS.*  trans-140.3144.3-173.900000113.5I146I146-G294 WeakPolarHBondContact O-CA 3.36Å
295H32Very low34.9Very low53 Ų53115.7 Ų115.725%0.24558%0.582CS.*  trans-128.5160.9176.4-51.2-84.9000111.4E111 I146 K148E111-H295 IonicContact OE1-CE1 2.95Å; E111-H295 PolarHBondContact OE1-CE1 3.44Å; E111-H295 IonicContact OE1-ND1 3.09Å; E111-H295 PolarHBondContact OE1-ND1 3.49Å; E111-H295 VanDerWaalsContact OE1-ND1 3.09Å; E111-H295 IonicContact OE2-CE1 3.68Å; E111-H295 IonicContact OE2-ND1 3.03Å; E111-H295 PolarHBondContact OE2-ND1 3.09Å; I146-H295 WeakPolarHBondContact CB-O 3.22Å; I146-H295 HydrophobicContact CD1-CB 4.31Å; I146-H295 VanDerWaalsContact CD1-O 3.24Å; I146-H295 WeakPolarHBondContact CD1-O 3.2Å; I146-H295 WeakPolarHBondContact CG1-O 3.29Å; I146-H295 PolarHBondContact N-O 3.49Å; K148-H295 PolarHBondContact NZ-CD2 3.44Å; K148-H295 PolarHBondContact NZ-NE2 3.3Å
296R33.2Very low34.9Very low70 Ų70116.7 Ų116.726%0.26459%0.587SS.*  trans-116.3144.2-179.370.3-160.5-154.2169.723.9111.7G108 R109 Y110G108-R296 PolarHBondContact O-NH2 2.7Å; R109-R296 VanDerWaalsContact CA-NE 3.28Å; R109-R296 PolarHBondContact NE-O 3.42Å; R109-R296 PolarHBondContact NH2-O 3.39Å; Y110-R296 VanDerWaalsContact CB-NH1 3.34Å; Y110-R296 WeakPolarHBondContact O-CD 2.91Å; Y110-R296 PolarHBondContact O-NE 2.89Å; Y110-R296 VanDerWaalsContact O-NE 3.17Å; Y110-R296 PolarHBondContact O-NH1 2.85Å
297K30.8Very low35.1Very low154 Ų154118.2 Ų118.267%0.6759%0.591SS**  trans-130.1123168.6-172.1-176.9178.6-1720108.3S144S144-K297 PolarHBondContact OG-N 3.29Å; S144-K297 PolarHBondContact OG-O 3.06Å
298I37.9Very low35.2Very low102 Ų102115.7 Ų115.752%0.52359%0.587SS.*  trans-116.8133167.5-61.5171.9000105.7
299V38.6Very low35.1Very low114 Ų114110.3 Ų110.369%0.69158%0.579SS**  trans-78.8127.7179.6174.50000108.1E301V299-E301 PolarHBondContact O-N 3.09Å
300E41.3Very low35.1Very low162 Ų162111.3 Ų111.376%0.75759%0.588SS**  trans-76.7107.1170.8-66.1177.1175.100107.2D302E300-D302 PolarHBondContact O-N 3.16Å
301E40.2Very low35Very low172 Ų172115.1 Ų115.180%0.80461%0.605SS**  trans-78.396.9159.5-77.9-176.517500106.8V299 N303V299-E301 PolarHBondContact O-N 3.09Å; E301-N303 PolarHBondContact O-N 2.94Å
302D41.5Very low35.1Very low130 Ų130119.6 Ų119.670%0.69563%0.625SS**  trans-63.486.3168-78.7-32.8000109.2E300 S304E300-D302 PolarHBondContact O-N 3.16Å; D302-S304 PolarHBondContact O-N 2.9Å
303N34.2Very low34.9Very low147 Ų147121 Ų12179%0.78665%0.648SS**  trans-7076.8162-94.8-22.8000108.8E301E301-N303 PolarHBondContact O-N 2.94Å
304S39.7Very low34.8Very low103 Ų103128.8 Ų128.872%0.7269%0.688SS**  trans-106.969168.256.20000109.6D302D302-S304 PolarHBondContact O-N 2.9Å
305N36.5Very low34.6Very low140 Ų140131.3 Ų131.375%0.74971%0.714SS**  trans-89.9141.9161.4-79.9-23.2000109.4
306D34.1Very low34.5Very low163 Ų163138.3 Ų138.387%0.87275%0.748SS**  trans93.266.8168.3-52.3-23.6000116.9
307R36.3Very low34.5Very low250 Ų250146.2 Ų146.294%0.94378%0.777SS**  trans-94110.9151.2-114.7179.6-178.7179.80.6110.2
308S34.4Very low34.5Very low113 Ų113146 Ų14679%0.7978%0.784SS**  trans-51.1147.7160.652.30000112.7
309G27.4Very low34.3Very low68 Ų68146.6 Ų146.670%0.70179%0.794SS**  trans-63161.3-173.500000116.8
310F33Very low34.2Very low204 Ų204147 Ų14790%0.89580%0.796SS**  trans-153.1117.1141.6-122.3-88.7000107.8I312F310-I312 HydrophobicContact CD1-CD1 4.34Å; F310-I312 HydrophobicContact CE1-CD1 4.43Å
311D30.4Very low33.7Very low151 Ų151146.1 Ų146.181%0.80780%0.797SS**  trans-77.1131.3165.8-177.213.7000108
312I36Very low33.4Very low153 Ų153147.4 Ų147.479%0.78580%0.8SS**  trans-176.7118.1154.4-87.1146.2000107.1F310F310-I312 HydrophobicContact CD1-CD1 4.34Å; F310-I312 HydrophobicContact CE1-CD1 4.43Å
313G29.5Very low33Very low64 Ų64144.2 Ų144.266%0.6680%0.798SS**  106.298.7120.600000117.5
314D31Very low33.1Very low175 Ų175144.5 Ų144.594%0.93680%0.799SS**  trans-43.3136.9163.9-60.8-58.5000114.9
315G29Very low32.6Very low69 Ų69142.3 Ų142.371%0.71179%0.793SS**  trans168.676.2172.600000113.5R317G315-R317 PolarHBondContact O-N 2.86Å
316E30.1Very low32.5Very low201 Ų201142.6 Ų142.694%0.93980%0.795SS**  trans-10.590.9165.3-59.5-175.8162.600116.7
317R33.1Very low32.6Very low236 Ų236143.1 Ų143.189%0.89179%0.792SS**  trans-134.9107.5146.1-72.3-169179.5-152.3-0.4107.2G315G315-R317 PolarHBondContact O-N 2.86Å
318N30.3Very low32.6Very low150 Ų150139.4 Ų139.480%0.80279%0.785SS**  trans-39.1143.7165.7-105.5-37.4000110.2V320N318-V320 PolarHBondContact O-N 3.18Å
319P33Very low32.7Very low114 Ų114141.9 Ų141.974%0.7479%0.788SS**  trans-54.8110.8-175.323.8-32.8000108.2N321P319-N321 PolarHBondContact O-N 3.44Å
320V36.8Very low33.1Very low122 Ų122143.3 Ų143.374%0.73979%0.788SS**  trans-63.293.4156.2-178.80000103N318 F322N318-V320 PolarHBondContact O-N 3.18Å; V320-F322 PolarHBondContact O-N 3.25Å
321N32Very low33.8Very low144 Ų144144.5 Ų144.577%0.7779%0.787SS**  trans-30.5107.9154.4-166.70.1000105.6P319 G323P319-N321 PolarHBondContact O-N 3.44Å; N321-G323 PolarHBondContact O-N 3.04Å
322F34Very low34.3Very low199 Ų199145.6 Ų145.687%0.87378%0.784SS**  trans-63.187.4170.3-92.4-83.9000105.5V320 N324V320-F322 PolarHBondContact O-N 3.25Å; F322-N324 PolarHBondContact O-N 3.27Å
323G32.2Very low34.4Very low63 Ų63141 Ų14165%0.64978%0.775SS**  trans-60.388.1156.300000106.5N321N321-G323 PolarHBondContact O-N 3.04Å
324N36.1Very low34.6Very low152 Ų152147.1 Ų147.181%0.81379%0.787SS**  trans-150.129.2152.2-114.68.7000110.6F322F322-N324 PolarHBondContact O-N 3.27Å
325G30.2Very low35.2Very low58 Ų58148.4 Ų148.460%0.59878%0.784SS**SBendtrans-120.7134.3169.900000109.5
326N33.7Very low35.6Very low145 Ų145148 Ų14878%0.77578%0.78SS**  trans74.376.2178.7-56.3-16.3000115.8Q328N326-Q328 HydrophobicContact CB-CG 4.48Å; N326-Q328 PolarHBondContact O-N 3.15Å
327H37.2Very low36.2Very low174 Ų174148.8 Ų148.881%0.80680%0.799SS**  trans-56.286142.4-63-69.1000108.9L329H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.34Å
328Q34.7Very low36.3Very low172 Ų172144.5 Ų144.580%0.80479%0.794SS**  trans-67.697.3161.9-70.2-173.31200106.6N326 S330N326-Q328 HydrophobicContact CB-CG 4.48Å; N326-Q328 PolarHBondContact O-N 3.15Å; Q328-S330 PolarHBondContact O-N 3.25Å
329L37.7Very low36.7Very low165 Ų165144.2 Ų144.286%0.86479%0.794SS**  trans-65.389.2165.3-69.7170000107.4H327 R331H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.34Å; L329-R331 PolarHBondContact O-N 2.56Å
330S35Very low36.9Very low99 Ų99145.8 Ų145.869%0.69280%0.797SS**  trans-61.4101.9162.2-168.90000107.5Q328 F332Q328-S330 PolarHBondContact O-N 3.25Å; S330-F332 VanDerWaalsContact C-N 3.28Å; S330-F332 PolarHBondContact OG-O 3.46Å; S330-F332 VanDerWaalsContact OG-O 3.07Å
331R47.5Very low36.9Very low229 Ų229147.2 Ų147.286%0.86480%0.8SS**  trans-86.2-4.5169-151.6-178.6-175.8-165.20.9112.1L329L329-R331 PolarHBondContact O-N 2.56Å
332F42.4Very low37.2Very low173 Ų173147.4 Ų147.476%0.75980%0.802SS**SBendtrans-112.594.6173.2-64.8-72.2000108.4S330 Q334S330-F332 VanDerWaalsContact C-N 3.28Å; S330-F332 PolarHBondContact OG-O 3.46Å; S330-F332 VanDerWaalsContact OG-O 3.07Å; F332-Q334 PolarHBondContact O-N 3.09Å
333G36.2Very low37.4Very low58 Ų58144 Ų14460%0.59880%0.798SS**  trans-46.2134.7157.300000109.2F335G333-F335 PolarHBondContact O-N 2.78Å; G333-F335 VanDerWaalsContact O-N 3.09Å
334Q35.3Very low37.7Very low192 Ų192149.8 Ų149.890%0.89781%0.808SS**  trans-50.4110.2172.6-163.6173.117.300109.1F332 G336F332-Q334 PolarHBondContact O-N 3.09Å; Q334-G336 PolarHBondContact O-N 2.81Å
335F42.4Very low37.9Very low201 Ų201149.6 Ų149.688%0.88281%0.808SS**  trans-77.6102.4158.4-73.6-77.6000106.3G333G333-F335 PolarHBondContact O-N 2.78Å; G333-F335 VanDerWaalsContact O-N 3.09Å
336G37.8Very low38.5Very low60 Ų60157.3 Ų157.362%0.61983%0.825SS**  trans-59.314915700000109.6Q334Q334-G336 PolarHBondContact O-N 2.81Å
337T42.6Very low39Very low219 Ų219158.4 Ų158.4100%1.34483%0.83SS**  trans-210175.5540000117.5

Retrieved 337 of 337 residues in 373.6 ms (Link to these results)