Q9AQV3_ORYSJ Loading...

OSJNBa0004B13.17 protein

AlphaFold DB , UniProt , Accession Q9AQV3, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene OSJNBa0004B13.17, Length 367 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
1M41.8Very low29.4Very low243 Ų243171.2 Ų171.2100%1.19781%0.808SS**  0118.50-79170.2175.900107.4
2R25.7Very low29.2Very low243 Ų243176.3 Ų176.392%0.91781%0.814SS**  trans-71.8134.6172.7-76.8-178.4175.8176.7-1.8108.1I4R2-I4 PolarHBondContact O-N 3.14Å
3P31Very low29.3Very low106 Ų106172.2 Ų172.269%0.68881%0.812SS**  trans-64.8133.8175.925.1-30.8000109.8F5P3-F5 PolarHBondContact O-N 3.37Å; P3-F5 VanDerWaalsContact O-N 3.17Å
4I30.2Very low29.2Very low153 Ų153177 Ų17779%0.78582%0.819SS**  trans-69106.9175-63.6170.3000106.6R2 F6R2-I4 PolarHBondContact O-N 3.14Å; I4-F6 PolarHBondContact O-N 3.15Å
5F25.3Very low29.1Very low189 Ų189171.3 Ų171.383%0.82982%0.815SS**  trans-73.8115.1170.4-103.5-98.8000108.1P3P3-F5 PolarHBondContact O-N 3.37Å; P3-F5 VanDerWaalsContact O-N 3.17Å
6F29.3Very low29Very low158 Ų158168.6 Ų168.669%0.69382%0.816SS**  trans-69.9131.5163.4-86-89.1000109I4 H8I4-F6 PolarHBondContact O-N 3.15Å; F6-H8 PolarHBondContact O-N 2.85Å
7P27.8Very low29.1Very low105 Ų105164.5 Ų164.568%0.68282%0.816SS**  trans-70.1121.5177.2-9.124.3000110.2E9P7-E9 PolarHBondContact O-N 3.32Å
8H26.3Very low28.9Very low164 Ų164161 Ų16176%0.75982%0.817SS**  trans-7639.3-180-124.9-78.2000112.9F6 F11F6-H8 PolarHBondContact O-N 2.85Å; H8-F11 AromaticContact ND1-CD2 3.86Å
9E28.2Very low28.9Very low163 Ų163160.4 Ų160.476%0.76282%0.822SS**THydrogen-bonded Turntrans-87.3-2.2-171.1-73.5-159.2150.500115.8P7 F11P7-E9 PolarHBondContact O-N 3.32Å; E9-F11 PolarHBondContact O-N 2.74Å
10F28.8Very low28.7Very low200 Ų200156.9 Ų156.988%0.87782%0.818SS**THydrogen-bonded Turntrans-76.63.2174.5-85.3-79.6000115.2
11F29.2Very low28.3Very low159 Ų159160.3 Ų160.370%0.69782%0.82SS**  trans-119.368.3178.2-64.9-80.3000111.9H8 E9 P13H8-F11 AromaticContact ND1-CD2 3.86Å; E9-F11 PolarHBondContact O-N 2.74Å; F11-P13 WeakPolarHBondContact O-CD 3.46Å
12R26.8Very low27.7Very low233 Ų233156.4 Ų156.488%0.87980%0.804SS**  trans-93.1110.5153.5-81.1-165.2179.6-170.53.2109.1R14R12-R14 PolarHBondContact O-N 3.43Å
13P30.1Very low27.6Very low122 Ų122152 Ų15279%0.79280%0.799SS**PPolyproline II helixtrans-67.1124.3169-9.324.9000108.5F11 A15F11-P13 WeakPolarHBondContact O-CD 3.46Å; P13-A15 PolarHBondContact O-N 2.97Å
14R28.5Very low27.5Very low240 Ų240156.2 Ų156.291%0.90681%0.809SS**PPolyproline II helixtrans-59.1128.9170.4-153.6173.8179.2176.3-0.3108.2R12R12-R14 PolarHBondContact O-N 3.43Å
15A27.6Very low27.6Very low92 Ų92153.6 Ų153.676%0.7681%0.811SS**PPolyproline II helixtrans-52125.6-177.800000111.4P13P13-A15 PolarHBondContact O-N 2.97Å
16P28.1Very low27.8Very low128 Ų128154.4 Ų154.483%0.83182%0.817SS**PPolyproline II helixtrans-80.1128.4-179.528.9-29.7000110.6
17A30.6Very low27.9Very low99 Ų99149.8 Ų149.882%0.81881%0.814SS**PPolyproline II helixtrans-60.4139.4168.100000110.3V19A17-V19 PolarHBondContact O-N 2.84Å
18A24.6Very low28.1Very low101 Ų101151.6 Ų151.684%0.83582%0.823SS**PPolyproline II helixtrans-58.1122.8-175.900000113.4
19V28.4Very low28.4Very low150 Ų150153 Ų15391%0.90983%0.827SS**  trans-143.4143.8145.7-174.90000107.9A17A17-V19 PolarHBondContact O-N 2.84Å
20A25.9Very low28.5Very low89 Ų89150.6 Ų150.674%0.73683%0.825SS**  trans-67.1148.3-157.500000116.9
21R21.1Very low28.7Very low229 Ų229149.2 Ų149.286%0.86483%0.825SS**  trans9.8121.3143.3-63.5178.3177.6174.4-2.1117.1
22D27.3Very low28.8Very low162 Ų162147 Ų14787%0.86682%0.82SS**  -150.2138.4109.8-87.2-29.2000109.4
23D24.1Very low29.1Very low151 Ų151137.4 Ų137.481%0.80779%0.791SS**  trans-68.9133.9-179-65.3-58.2000111.1
24E30.2Very low29.4Very low193 Ų193136.1 Ų136.190%0.90278%0.783SS**  trans176.5128.5136.8-99.1174.8-170.300112.9
25A31.1Very low30Very low99 Ų99126.8 Ų126.882%0.81875%0.749SS**  trans56.6104.4156.400000119.8G27A25-G27 VanDerWaalsContact C-N 3.34Å; A25-G27 PolarHBondContact O-N 3.31Å
26E30.5Very low30.3Very low206 Ų206127 Ų12796%0.96373%0.734SS**  trans-64.579.4171.8-151.4170.2-154.600111.8
27G31.5Very low30.7Very low61 Ų61126.3 Ų126.363%0.62972%0.723SS**  trans-78.6111.1164.700000109.9A25 K29A25-G27 VanDerWaalsContact C-N 3.34Å; A25-G27 PolarHBondContact O-N 3.31Å; G27-K29 PolarHBondContact O-N 2.78Å
28T30.6Very low31Very low142 Ų142126.3 Ų126.387%0.87171%0.705SS**  trans-47.2109.4168.53.30000109.8
29K33.4Very low31.3Very low195 Ų195129 Ų12985%0.84870%0.7SS**  trans-60127.2172.9-74.6-178.9177.7178.70108.3G27G27-K29 PolarHBondContact O-N 2.78Å
30P29.9Very low31.3Very low111 Ų111129 Ų12972%0.72169%0.689SS**  trans-65.1144.1-179.124.3-30.4000110.7L32P30-L32 PolarHBondContact O-N 2.96Å; P30-L32 VanDerWaalsContact O-N 3.09Å
31I34.2Very low31.3Very low171 Ų171133.7 Ų133.788%0.87770%0.696SS**  trans-63.7107.4169.7-61.4170.7000106.2A33I31-A33 PolarHBondContact O-N 3.34Å
32L31.5Very low31.8Very low112 Ų112126.2 Ų126.259%0.58668%0.684SS**  trans-57.3132.6176.9-73.9158.1000109.3P30 E36P30-L32 PolarHBondContact O-N 2.96Å; P30-L32 VanDerWaalsContact O-N 3.09Å; L32-E36 VanDerWaalsContact CA-OE2 3.3Å; L32-E36 WeakPolarHBondContact CA-OE2 3.03Å; L32-E36 HydrophobicContact CD2-CB 4Å; L32-E36 HydrophobicContact CD2-CG 4.45Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.18Å
33A32.9Very low31.8Very low33 Ų33124 Ų12427%0.27368%0.678SS.*  trans-72.2149.6177.200000109.6I31 H35 E36I31-A33 PolarHBondContact O-N 3.34Å; A33-H35 WeakPolarHBondContact CB-CE1 3.39Å; A33-H35 PolarHBondContact O-N 3.06Å; A33-E36 PolarHBondContact N-OE2 2.93Å; A33-E36 PolarHBondContact O-N 3.29Å
34P36.3Very low32Very low95 Ų95121.4 Ų121.462%0.61768%0.678SS**G310 helixtrans-52.4-23.4-173.8-29.434.8000115.2L37 F38P34-L37 WeakPolarHBondContact O-CB 3.36Å; P34-F38 WeakPolarHBondContact O-CD2 3.49Å; P34-F38 WeakPolarHBondContact O-CE2 3.32Å
35H39.5Very low32.2Very low44 Ų44116.9 Ų116.920%0.20467%0.673CS.*G310 helixtrans-80.7-21.8179.962.5-93.1000115.5A33 L37 F38 L289A33-H35 WeakPolarHBondContact CB-CE1 3.39Å; A33-H35 PolarHBondContact O-N 3.06Å; H35-L37 PolarHBondContact O-N 3.09Å; H35-F38 PolarHBondContact O-N 3.2Å; H35-L289 HydrophobicContact CB-CD1 3.21Å; H35-L289 HydrophobicContact CB-CG 4.34Å
36E33.9Very low32.1Very low96 Ų96116.3 Ų116.345%0.44967%0.668SS.*G310 helixtrans-72.5-13.2174.9-63.4176.2126.800111.6L32 A33L32-E36 VanDerWaalsContact CA-OE2 3.3Å; L32-E36 WeakPolarHBondContact CA-OE2 3.03Å; L32-E36 HydrophobicContact CD2-CB 4Å; L32-E36 HydrophobicContact CD2-CG 4.45Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.18Å; A33-E36 PolarHBondContact N-OE2 2.93Å; A33-E36 PolarHBondContact O-N 3.29Å
37L38.4Very low32.1Very low114 Ų114110.5 Ų110.560%0.59766%0.656SS**G310 helixtrans-77.5-16.9171.9-62.7169.4000113.4P34 H35P34-L37 WeakPolarHBondContact O-CB 3.36Å; H35-L37 PolarHBondContact O-N 3.09Å
38F36.5Very low32.3Very low98 Ų98110.8 Ų110.843%0.4365%0.652SS.*G310 helixtrans-95.23.7-174.5-57.5-58.5000114.2P34 H35 H40 Y83P34-F38 WeakPolarHBondContact O-CD2 3.49Å; P34-F38 WeakPolarHBondContact O-CE2 3.32Å; H35-F38 PolarHBondContact O-N 3.2Å; F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 3.27Å; F38-H40 VanDerWaalsContact O-N 3.16Å; F38-Y83 WeakPolarHBondContact CD1-OH 3.2Å; F38-Y83 VanDerWaalsContact CE1-OH 3.23Å; F38-Y83 WeakPolarHBondContact CE1-OH 3.33Å
39H29.7Very low32.1Very low158 Ų158109.9 Ų109.973%0.73165%0.647SS**  trans-87.663.6173.7-71.6-68.3000111.6
40H29.4Very low32Very low149 Ų149107 Ų10769%0.6965%0.646SS**  trans-109.4117.2159.8-76.4-67.8000108.9F38 A42F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 3.27Å; F38-H40 VanDerWaalsContact O-N 3.16Å; H40-A42 PolarHBondContact O-N 2.81Å
41E26.1Very low32.2Very low188 Ų188106.4 Ų106.488%0.87964%0.639SS**PPolyproline II helixtrans-55.9128.6158.8-75.9-177.4154.900107.5P43E41-P43 WeakPolarHBondContact O-CD 3.29Å; E41-P43 VanDerWaalsContact O-N 3.13Å
42A30.6Very low31.9Very low73 Ų73108.9 Ų108.960%0.60364%0.637SS**PPolyproline II helixtrans-53.6121.7173.500000107.9H40 A44H40-A42 PolarHBondContact O-N 2.81Å; A42-A44 PolarHBondContact O-N 3.38Å
43P27.2Very low32Very low114 Ų114110.6 Ų110.674%0.7465%0.647SS**PPolyproline II helixtrans-58.3131.9178.921.1-29.2000108.2E41 A45E41-P43 WeakPolarHBondContact O-CD 3.29Å; E41-P43 VanDerWaalsContact O-N 3.13Å; P43-A45 PolarHBondContact O-N 3.12Å
44A28.4Very low32.3Very low97 Ų97117.1 Ų117.180%0.80267%0.672SS**  trans-45.9118.417500000108A42 A46A42-A44 PolarHBondContact O-N 3.38Å; A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.9Å
45A34.4Very low32.7Very low98 Ų98122.4 Ų122.481%0.8169%0.689SS**  trans-29.292.4-171.300000110.8P43 A47P43-A45 PolarHBondContact O-N 3.12Å; A45-A47 PolarHBondContact O-N 3.48Å
46A29.8Very low33.5Very low87 Ų87121.9 Ų121.972%0.71969%0.69SS**  trans-63.1105.2170.200000102.3A44 A48A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.9Å; A46-A48 PolarHBondContact O-N 3.19Å
47A30.5Very low35.1Very low85 Ų85123.1 Ų123.170%0.70270%0.7SS**  trans-35.8111.5-173.900000107.3A45 T49A45-A47 PolarHBondContact O-N 3.48Å; A47-T49 PolarHBondContact O-N 2.94Å
48A34.6Very low36.6Very low67 Ų67120 Ų12055%0.55468%0.682SS**  trans-50.299.7-175.700000106.2A46 V50A46-A48 PolarHBondContact O-N 3.19Å; A48-V50 VanDerWaalsContact C-N 3.31Å; A48-V50 PolarHBondContact O-N 2.82Å
49T27.3Very low38.4Very low123 Ų123119 Ų11976%0.75568%0.679SS**  trans-62.7110174.60.60000101.5A47 V51A47-T49 PolarHBondContact O-N 2.94Å; T49-V51 WeakPolarHBondContact O-CG2 3.33Å; T49-V51 PolarHBondContact O-N 2.68Å
50V32Very low40.7Very low135 Ų135115 Ų11582%0.81867%0.667SS**  trans-57.892.6167.5178.20000104A48 R52A48-V50 VanDerWaalsContact C-N 3.31Å; A48-V50 PolarHBondContact O-N 2.82Å; V50-R52 PolarHBondContact O-N 3.39Å
51V32.6Very low42.9Very low97 Ų97109.4 Ų109.459%0.58864%0.642SS**  trans-60.4108.3177.9176.30000103.9T49T49-V51 WeakPolarHBondContact O-CG2 3.33Å; T49-V51 PolarHBondContact O-N 2.68Å
52R27.5Very low45.4Very low223 Ų223101.2 Ų101.284%0.84261%0.605SS**  trans-59.8140.7174.4-73.6178.7160.7132.5-3.1108V50 E54V50-R52 PolarHBondContact O-N 3.39Å; R52-E54 PolarHBondContact O-N 2.8Å
53D35.2Very low47.6Very low148 Ų148100 Ų10079%0.79160%0.599SS**  trans-54.290.4-179.7-59.8-50.5000111.3
54E38.3Very low49.3Very low170 Ų170100.4 Ų100.479%0.79459%0.594SS**  trans-90.7132.3147.1-69.8-176.2163.700105.5R52 S56R52-E54 PolarHBondContact O-N 2.8Å; E54-S56 PolarHBondContact O-N 2.83Å
55E44.4Very low51Low206 Ų206101.9 Ų101.996%0.96359%0.592SS**  trans-40.1100.3-178.6-78.8173.4145.900110.6
56S55.7Low52.5Low34 Ų3499.6 Ų99.624%0.23858%0.578CS.*  trans-92.6125.217656.30000108.7E54 E58 R140 N141E54-S56 PolarHBondContact O-N 2.83Å; S56-E58 PolarHBondContact O-N 2.71Å; S56-R140 PolarHBondContact OG-NE 3.47Å; S56-N141 WeakPolarHBondContact CB-OD1 3.5Å
57D68.1Low54.8Low122 Ų12297.4 Ų97.465%0.65255%0.554SS**  trans-63.7115170.1-68.8-40.5000108.9N141D57-N141 PolarHBondContact O-N 3.43Å
58E69.3Low57.1Low49 Ų4998.1 Ų98.123%0.22954%0.543CS..EExtended strand (participates in β ladder)trans-112.7117.8176.2-68.6-174.4175.200110.2S56 E68 M69 R139 R140S56-E58 PolarHBondContact O-N 2.71Å; E58-E68 VanDerWaalsContact OE2-CA 3.32Å; E58-E68 WeakPolarHBondContact OE2-CA 3.37Å; E58-M69 WeakPolarHBondContact OE1-CB 3.36Å; E58-M69 WeakPolarHBondContact OE1-CG 3.3Å; E58-M69 PolarHBondContact OE2-N 3.18Å; E58-R139 WeakPolarHBondContact CA-O 3.32Å; E58-R140 HydrophobicContact CG-CB 4.5Å; E58-R140 HydrophobicContact CG-CG 4.38Å
59E76.1Confident59.3Low75 Ų7596.7 Ų96.735%0.3553%0.525SS..EExtended strand (participates in β ladder)trans-105.9120.5178.2-169.9-176.1162.300110.1R112 F138 R139E59-R112 IonicContact OE1-NH1 2.64Å; E59-R112 PolarHBondContact OE1-NH1 2.71Å; E59-R112 IonicContact OE2-CZ 3.96Å; E59-R112 IonicContact OE2-NH1 3.34Å; E59-R112 PolarHBondContact OE2-NH1 3.02Å; E59-R112 VanDerWaalsContact OE2-NH1 3.12Å; E59-R112 IonicContact OE2-NH2 2.76Å; E59-R112 PolarHBondContact OE2-NH2 2.92Å; E59-F138 CarbonylContact O-C 3.53Å; E59-F138 VanDerWaalsContact O-CA 3.24Å; E59-F138 WeakPolarHBondContact O-CA 3.23Å; E59-F138 WeakPolarHBondContact O-CB 3.48Å; E59-R139 PolarHBondContact N-O 3.32Å; E59-R139 PolarHBondContact O-N 2.83Å; E59-R139 IonicContact OE1-NH2 3.8Å; E59-R139 PolarHBondContact OE1-NH2 2.77Å; E59-R139 IonicContact OE2-CZ 2.82Å; E59-R139 IonicContact OE2-NE 3.66Å; E59-R139 IonicContact OE2-NH2 3.82Å; E59-R139 PolarHBondContact OE2-NH2 3.2Å
60P76.4Confident62Low76 Ų7693.4 Ų93.449%0.49451%0.507SS..EExtended strand (participates in β ladder)trans-71134.8178.428.9-33.7000111.4
61I77.5Confident64.7Low30 Ų3087.5 Ų87.515%0.15447%0.471CS..EExtended strand (participates in β ladder)trans-110.7-42.6177.5-53.3164.1000110.9D115 A119 M137 R139I61-D115 HydrophobicContact CD1-CB 4.03Å; I61-A119 HydrophobicContact CG2-CB 3.54Å; I61-M137 WeakPolarHBondContact CA-O 3.43Å; I61-M137 HydrophobicContact CB-CE 3.84Å; I61-M137 HydrophobicContact CD1-CE 4.11Å; I61-M137 HydrophobicContact CD1-CG 4.4Å; I61-M137 HydrophobicContact CG2-CE 3.51Å; I61-M137 PolarHBondContact N-O 2.88Å; I61-R139 HydrophobicContact CD1-CB 3.91Å; I61-R139 HydrophobicContact CG1-CB 4.47Å
62V78.3Confident67.4Low17 Ų1783.4 Ų83.410%0.10345%0.445CS..EExtended strand (participates in β ladder)trans-137.8145.2177.1178.10000109.2A119 R123 A136 M137V62-A119 HydrophobicContact CG2-CB 3.51Å; V62-R123 HydrophobicContact CG1-CG 4.39Å; V62-R123 HydrophobicContact CG2-CG 4.31Å; V62-A136 CarbonylContact O-C 3.6Å; V62-A136 WeakPolarHBondContact O-CA 3.31Å; V62-M137 HydrophobicContact CB-CB 3.99Å; V62-M137 HydrophobicContact CG2-CB 4.43Å; V62-M137 HydrophobicContact CG2-CE 4.02Å; V62-M137 PolarHBondContact N-O 2.65Å; V62-M137 PolarHBondContact O-N 2.88Å
63G75.1Confident70.5Confident46 Ų4676.8 Ų76.847%0.47442%0.424SS..EExtended strand (participates in β ladder)trans98.5-158.7168.700000115.2V65 H135G63-V65 PolarHBondContact O-N 2.83Å; G63-H135 WeakPolarHBondContact CA-O 3.19Å
64I64.7Low73.2Confident124 Ų12473.2 Ų73.264%0.63641%0.408SS*.  trans-71.4120.6-171.9-57.4173.9000110G66 L67I64-G66 PolarHBondContact O-N 3.38Å; I64-L67 PolarHBondContact O-N 3.28Å
65V62.3Low75.8Confident128 Ų12868.2 Ų68.278%0.77639%0.386SS*.THydrogen-bonded Turntrans-61.3130.1173.8-177.80000109.9G63G63-V65 PolarHBondContact O-N 2.83Å
66G67.8Low78.1Confident49 Ų4959.9 Ų59.951%0.50536%0.355SS..THydrogen-bonded Turntrans90.911.2177.400000115.5I64I64-G66 PolarHBondContact O-N 3.38Å
67L77.2Confident79.9Confident42 Ų4264.2 Ų64.222%0.2237%0.371CS..  trans-86.8120.4165.2-167.976.6000108.8I64 F72 L91 A136 V148I64-L67 PolarHBondContact O-N 3.28Å; L67-F72 HydrophobicContact CD1-CE2 4.16Å; L67-F72 HydrophobicContact CD1-CZ 4.05Å; L67-F72 HydrophobicContact CD2-CE2 3.94Å; L67-F72 HydrophobicContact CD2-CZ 3.72Å; L67-F72 HydrophobicContact CG-CE2 3.82Å; L67-F72 HydrophobicContact CG-CZ 3.97Å; L67-L91 HydrophobicContact CD1-CD1 3.95Å; L67-A136 HydrophobicContact CD2-CB 3.59Å; L67-V148 HydrophobicContact CD2-CG2 4.46Å
68E79.7Confident81Confident99 Ų9961 Ų6146%0.46335%0.354SS..  trans-117.2162.3-176.6-66.7174-172.600111.3E58 S70 D71 F72E58-E68 VanDerWaalsContact OE2-CA 3.32Å; E58-E68 WeakPolarHBondContact OE2-CA 3.37Å; E68-S70 WeakPolarHBondContact CB-OG 3.13Å; E68-S70 PolarHBondContact O-N 3.1Å; E68-S70 PolarHBondContact OE2-OG 3.4Å; E68-S70 VanDerWaalsContact OE2-OG 3.12Å; E68-D71 PolarHBondContact N-OD2 2.94Å; E68-D71 VanDerWaalsContact O-CB 3.32Å; E68-D71 WeakPolarHBondContact O-CB 3.37Å; E68-D71 PolarHBondContact O-N 2.76Å; E68-D71 VanDerWaalsContact O-N 3.09Å; E68-F72 VanDerWaalsContact O-CD2 3.29Å; E68-F72 WeakPolarHBondContact O-CD2 3.04Å
69M80Confident81.9Confident38 Ų3860.1 Ų60.119%0.18736%0.358CS..G310 helixtrans-57.7-35.3172-76.4-69.9-67.200112.9E58 D71 F72 L102 F138 V146E58-M69 WeakPolarHBondContact OE1-CB 3.36Å; E58-M69 WeakPolarHBondContact OE1-CG 3.3Å; E58-M69 PolarHBondContact OE2-N 3.18Å; M69-D71 PolarHBondContact O-N 3.43Å; M69-F72 PolarHBondContact O-N 2.82Å; M69-L102 HydrophobicContact CE-CD2 3.59Å; M69-L102 HydrophobicContact SD-CD1 3.89Å; M69-L102 HydrophobicContact SD-CD2 3.94Å; M69-L102 HydrophobicContact SD-CG 4.47Å; M69-F138 HydrophobicContact CG-CD2 4.37Å; M69-F138 HydrophobicContact CG-CE2 3.28Å; M69-F138 HydrophobicContact CG-CZ 3.62Å; M69-F138 HydrophobicContact SD-CE2 3.5Å; M69-F138 VanDerWaalsContact SD-CE2 3.5Å; M69-F138 HydrophobicContact SD-CZ 3.37Å; M69-F138 WeakPolarHBondContact SD-CZ 3.47Å; M69-V146 HydrophobicContact SD-CG1 3.69Å
70S84.7Confident82.4Confident54 Ų5458.8 Ų58.838%0.37836%0.364SS..G310 helixtrans-58-29.2178.8690000111.8E68 F72 R92E68-S70 WeakPolarHBondContact CB-OG 3.13Å; E68-S70 PolarHBondContact O-N 3.1Å; E68-S70 PolarHBondContact OE2-OG 3.4Å; E68-S70 VanDerWaalsContact OE2-OG 3.12Å; S70-F72 PolarHBondContact O-N 2.94Å; S70-R92 WeakPolarHBondContact O-CD 3.48Å; S70-R92 PolarHBondContact O-NE 2.92Å
71D87.9Confident82.7Confident11 Ų1157.5 Ų57.56%0.05936%0.364CS..G310 helixtrans-69.8-16.1176.5-69.7-49.2000113E68 M69 L91 R92 R93E68-D71 PolarHBondContact N-OD2 2.94Å; E68-D71 VanDerWaalsContact O-CB 3.32Å; E68-D71 WeakPolarHBondContact O-CB 3.37Å; E68-D71 PolarHBondContact O-N 2.76Å; E68-D71 VanDerWaalsContact O-N 3.09Å; M69-D71 PolarHBondContact O-N 3.43Å; D71-L91 HydrophobicContact CB-CD1 3.82Å; D71-L91 CarbonylContact O-C 3.45Å; D71-R92 WeakPolarHBondContact O-CB 3.43Å; D71-R92 WeakPolarHBondContact O-CG 3.44Å; D71-R92 PolarHBondContact O-N 2.8Å; D71-R93 IonicContact OD1-CZ 3.18Å; D71-R93 IonicContact OD1-NE 2.85Å; D71-R93 PolarHBondContact OD1-NE 3.26Å; D71-R93 IonicContact OD1-NH2 2.74Å; D71-R93 PolarHBondContact OD1-NH2 2.84Å; D71-R93 IonicContact OD2-NH2 3.56Å
72F89.9Confident82.8Confident10 Ų1059.5 Ų59.54%0.04438%0.375CS..EExtended strand (participates in β ladder)trans-100.7136.9-179.8-64-82.6000112.1L67 E68 M69 S70 A89 R90 L91 R92 F100 V148L67-F72 HydrophobicContact CD1-CE2 4.16Å; L67-F72 HydrophobicContact CD1-CZ 4.05Å; L67-F72 HydrophobicContact CD2-CE2 3.94Å; L67-F72 HydrophobicContact CD2-CZ 3.72Å; L67-F72 HydrophobicContact CG-CE2 3.82Å; L67-F72 HydrophobicContact CG-CZ 3.97Å; E68-F72 VanDerWaalsContact O-CD2 3.29Å; E68-F72 WeakPolarHBondContact O-CD2 3.04Å; M69-F72 PolarHBondContact O-N 2.82Å; S70-F72 PolarHBondContact O-N 2.94Å; F72-A89 HydrophobicContact CB-CB 4.22Å; F72-A89 HydrophobicContact CD1-CB 4.11Å; F72-R90 WeakPolarHBondContact CA-O 3.34Å; F72-L91 HydrophobicContact CD1-CD1 4.42Å; F72-L91 HydrophobicContact CE1-CD1 4.08Å; F72-L91 HydrophobicContact CZ-CD1 4.24Å; F72-R92 PolarHBondContact O-NE 2.85Å; F72-F100 HydrophobicContact CD1-CD2 4.41Å; F72-F100 HydrophobicContact CE1-CB 4.33Å; F72-F100 AromaticContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CE2 4.32Å; F72-F100 HydrophobicContact CE1-CG 4.13Å; F72-V148 HydrophobicContact CE1-CG1 3.93Å; F72-V148 HydrophobicContact CE1-CG2 4.49Å; F72-V148 HydrophobicContact CE2-CG2 3.83Å; F72-V148 HydrophobicContact CZ-CB 4.34Å; F72-V148 HydrophobicContact CZ-CG1 3.7Å; F72-V148 HydrophobicContact CZ-CG2 3.7Å
73Q92Very high83Confident84 Ų8463.1 Ų63.139%0.39339%0.387SS..EExtended strand (participates in β ladder)trans-102.8114.6163.9-177.6-177.323.700108.2I75 A89 R90 R92Q73-I75 HydrophobicContact CG-CG2 4.15Å; Q73-I75 PolarHBondContact O-N 2.89Å; Q73-A89 CarbonylContact O-C 3.52Å; Q73-A89 WeakPolarHBondContact O-CA 3.45Å; Q73-R90 PolarHBondContact N-O 2.81Å; Q73-R90 PolarHBondContact O-N 2.87Å; Q73-R92 HydrophobicContact CB-CG 4.17Å
74V92Very high83.7Confident74 Ų7461.7 Ų61.745%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-65.9126169.2175.10000108.8Y87 L102V74-Y87 HydrophobicContact CG1-CD1 3.89Å; V74-Y87 HydrophobicContact CG1-CG 4.01Å; V74-L102 HydrophobicContact CG2-CD2 4.39Å
75I92.5Very high85Confident65 Ų6556.1 Ų56.133%0.33334%0.34SS..EExtended strand (participates in β ladder)trans-117.9-9.2-17756.9166.6000113.3Q73 K88 R90Q73-I75 HydrophobicContact CG-CG2 4.15Å; Q73-I75 PolarHBondContact O-N 2.89Å; I75-K88 HydrophobicContact CD1-CD 3.96Å; I75-K88 HydrophobicContact CD1-CG 3.83Å; I75-K88 HydrophobicContact CG1-CB 3.99Å; I75-K88 HydrophobicContact CG1-CD 4.23Å; I75-K88 HydrophobicContact CG1-CG 3.85Å; I75-K88 WeakPolarHBondContact CG1-O 3.22Å; I75-K88 PolarHBondContact N-O 3.04Å; I75-R90 HydrophobicContact CD1-CB 4.44Å; I75-R90 HydrophobicContact CG2-CB 4.31Å
76G92.4Very high86.5Confident30 Ų3052 Ų5231%0.30932%0.316SS..EExtended strand (participates in β ladder)trans177170.4174.700000112.2Y87 K88G76-Y87 CarbonylContact O-C 3.42Å; G76-Y87 WeakPolarHBondContact O-CA 3.26Å; G76-K88 PolarHBondContact N-O 3.35Å; G76-K88 PolarHBondContact O-N 2.64Å
77E93.3Very high87.8Confident125 Ų12551.9 Ų51.958%0.58430%0.3SS*.EExtended strand (participates in β ladder)trans-96.9132.6171.2-171.1-178.8135.700109.5V85 Y87E77-V85 HydrophobicContact CG-CG2 4Å; E77-Y87 HydrophobicContact CB-CD1 4.23Å; E77-Y87 HydrophobicContact CB-CE1 4.33Å; E77-Y87 HydrophobicContact CG-CD1 4.38Å; E77-Y87 HydrophobicContact CG-CE1 4.29Å
78L92Very high88.7Confident56 Ų5651.9 Ų51.929%0.29330%0.298SS..EExtended strand (participates in β ladder)trans-93.1-30.9175.5-65.2173000111.6V86 K88 A101L78-V86 HydrophobicContact CB-CB 4.44Å; L78-V86 HydrophobicContact CB-CG1 4.32Å; L78-V86 HydrophobicContact CD1-CG1 4.11Å; L78-V86 PolarHBondContact N-O 3.36Å; L78-K88 HydrophobicContact CD1-CB 4.13Å; L78-K88 HydrophobicContact CD2-CB 3.86Å; L78-K88 HydrophobicContact CD2-CD 4.26Å; L78-K88 HydrophobicContact CD2-CG 4.24Å; L78-K88 HydrophobicContact CG-CB 3.85Å; L78-A101 HydrophobicContact CD1-CB 3.96Å
79G88.5Confident89.3Confident30 Ų3047.1 Ų47.131%0.30928%0.276SS..EExtended strand (participates in β ladder)trans161.1171.6173.600000112.7V86G79-V86 PolarHBondContact N-O 2.85Å; G79-V86 PolarHBondContact O-N 2.79Å
80G85.9Confident89.9Confident47 Ų4749.6 Ų49.649%0.48528%0.284SS..EExtended strand (participates in β ladder)trans-132.4142.5178.400000112.2N84G80-N84 WeakPolarHBondContact CA-O 3.29Å
81G82.1Confident90.1Very high48 Ų4848.4 Ų48.450%0.49527%0.273SS..  trans-104.3-158170.400000111.7N84 Y106G81-N84 PolarHBondContact N-O 2.63Å; G81-Y106 WeakPolarHBondContact O-CE2 3.32Å
82L79.6Confident90.1Very high72 Ų7254.8 Ų54.838%0.37730%0.296SS..SBendtrans-71.8-37.2176.7-176.359.7000112.5Y107L82-Y107 PolarHBondContact O-OH 3.02Å
83Y83.4Confident89.8Confident93 Ų9362.9 Ų62.937%0.36533%0.326SS..SBendtrans-109.5-25.1-169-58.8-63.9000113.8F38 P105 Y106 Y107 L109F38-Y83 WeakPolarHBondContact CD1-OH 3.2Å; F38-Y83 VanDerWaalsContact CE1-OH 3.23Å; F38-Y83 WeakPolarHBondContact CE1-OH 3.33Å; Y83-P105 WeakPolarHBondContact O-CA 3.39Å; Y83-Y106 VanDerWaalsContact C-CD2 3.47Å; Y83-Y106 PolarHBondContact O-N 2.75Å; Y83-Y107 AromaticContact CD1-CE2 3.8Å; Y83-Y107 HydrophobicContact CD1-CE2 3.8Å; Y83-Y107 AromaticContact CD1-CZ 3.82Å; Y83-Y107 WeakPolarHBondContact CD1-OH 3.44Å; Y83-Y107 HydrophobicContact CE1-CE2 4.46Å; Y83-L109 HydrophobicContact CD1-CD2 3.87Å; Y83-L109 HydrophobicContact CG-CD2 4.17Å
84N89.2Confident89Confident17 Ų1761.6 Ų61.69%0.09133%0.326CS..EExtended strand (participates in β ladder)trans-137.9154.5-168.8-63.9-80.8000111.6G80 G81 K103 T104 P105 Y106 L109G80-N84 WeakPolarHBondContact CA-O 3.29Å; G81-N84 PolarHBondContact N-O 2.63Å; N84-K103 HydrophobicContact CB-CG 4.01Å; N84-K103 VanDerWaalsContact CG-CE 3.46Å; N84-K103 VanDerWaalsContact ND2-CE 3.29Å; N84-K103 WeakPolarHBondContact ND2-CE 3.45Å; N84-T104 CarbonylContact C-O 3.57Å; N84-T104 VanDerWaalsContact CA-O 3.29Å; N84-T104 WeakPolarHBondContact CA-O 3.42Å; N84-P105 VanDerWaalsContact OD1-CA 3.25Å; N84-P105 WeakPolarHBondContact OD1-CA 3.45Å; N84-Y106 WeakPolarHBondContact O-CE2 3.3Å; N84-L109 WeakPolarHBondContact OD1-CD1 3.28Å
85V92.5Very high87.6Confident6 Ų661.7 Ų61.74%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-113.1143.2163.557.60000109.1E77 Y87 T104 Y106E77-V85 HydrophobicContact CG-CG2 4Å; V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE2 3.38Å; V85-Y87 HydrophobicContact CG2-CD1 4.35Å; V85-Y87 HydrophobicContact CG2-CD2 4.44Å; V85-Y87 HydrophobicContact CG2-CE1 3.77Å; V85-Y87 HydrophobicContact CG2-CE2 3.9Å; V85-T104 WeakPolarHBondContact CG1-O 3.46Å; V85-T104 PolarHBondContact N-O 2.89Å; V85-T104 PolarHBondContact O-N 2.75Å; V85-T104 VanDerWaalsContact O-O 3.13Å; V85-Y106 HydrophobicContact CB-CE1 3.82Å; V85-Y106 HydrophobicContact CG1-CD1 4.48Å; V85-Y106 HydrophobicContact CG1-CE1 4.08Å
86V94.9Very high86.2Confident43 Ų4368 Ų6826%0.26136%0.356SS..EExtended strand (participates in β ladder)trans-115121.2177.6-171.50000108.9L78 G79 A101 L102 K103L78-V86 HydrophobicContact CB-CB 4.44Å; L78-V86 HydrophobicContact CB-CG1 4.32Å; L78-V86 HydrophobicContact CD1-CG1 4.11Å; L78-V86 PolarHBondContact N-O 3.36Å; G79-V86 PolarHBondContact N-O 2.85Å; G79-V86 PolarHBondContact O-N 2.79Å; V86-A101 HydrophobicContact CG1-CB 3.98Å; V86-L102 WeakPolarHBondContact CA-O 3.21Å; V86-K103 HydrophobicContact CG2-CB 4.42Å; V86-K103 HydrophobicContact CG2-CG 4.35Å
87Y94.7Very high85.1Confident46 Ų4668.8 Ų68.818%0.1836%0.364CS..EExtended strand (participates in β ladder)trans-103.4144.9177.9-63.7-69.4000111.7V74 G76 E77 V85 A101 L102V74-Y87 HydrophobicContact CG1-CD1 3.89Å; V74-Y87 HydrophobicContact CG1-CG 4.01Å; G76-Y87 CarbonylContact O-C 3.42Å; G76-Y87 WeakPolarHBondContact O-CA 3.26Å; E77-Y87 HydrophobicContact CB-CD1 4.23Å; E77-Y87 HydrophobicContact CB-CE1 4.33Å; E77-Y87 HydrophobicContact CG-CD1 4.38Å; E77-Y87 HydrophobicContact CG-CE1 4.29Å; V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE2 3.38Å; V85-Y87 HydrophobicContact CG2-CD1 4.35Å; V85-Y87 HydrophobicContact CG2-CD2 4.44Å; V85-Y87 HydrophobicContact CG2-CE1 3.77Å; V85-Y87 HydrophobicContact CG2-CE2 3.9Å; Y87-A101 CarbonylContact O-C 3.53Å; Y87-A101 WeakPolarHBondContact O-CA 3.49Å; Y87-L102 PolarHBondContact N-O 2.84Å; Y87-L102 PolarHBondContact O-N 3.17Å
88K94.6Very high84.6Confident41 Ų4163.9 Ų63.918%0.17835%0.348CS..EExtended strand (participates in β ladder)trans-77.2120.7162.3-162.9178.4-175.4170.60106.8I75 G76 L78 V99 D366I75-K88 HydrophobicContact CD1-CD 3.96Å; I75-K88 HydrophobicContact CD1-CG 3.83Å; I75-K88 HydrophobicContact CG1-CB 3.99Å; I75-K88 HydrophobicContact CG1-CD 4.23Å; I75-K88 HydrophobicContact CG1-CG 3.85Å; I75-K88 WeakPolarHBondContact CG1-O 3.22Å; I75-K88 PolarHBondContact N-O 3.04Å; G76-K88 PolarHBondContact N-O 3.35Å; G76-K88 PolarHBondContact O-N 2.64Å; L78-K88 HydrophobicContact CD1-CB 4.13Å; L78-K88 HydrophobicContact CD2-CB 3.86Å; L78-K88 HydrophobicContact CD2-CD 4.26Å; L78-K88 HydrophobicContact CD2-CG 4.24Å; L78-K88 HydrophobicContact CG-CB 3.85Å; K88-V99 HydrophobicContact CD-CG1 4.38Å; K88-V99 HydrophobicContact CG-CG1 3.72Å; K88-D366 IonicContact NZ-OD1 2.71Å; K88-D366 PolarHBondContact NZ-OD1 2.8Å
89A93.3Very high84.6Confident0 Ų064 Ų640%035%0.35CS..EExtended strand (participates in β ladder)trans-127.4149.5-177.400000111F72 Q73 V99 F100 L102F72-A89 HydrophobicContact CB-CB 4.22Å; F72-A89 HydrophobicContact CD1-CB 4.11Å; Q73-A89 CarbonylContact O-C 3.52Å; Q73-A89 WeakPolarHBondContact O-CA 3.45Å; A89-V99 CarbonylContact O-C 3.55Å; A89-V99 VanDerWaalsContact O-CA 3.31Å; A89-V99 WeakPolarHBondContact O-CA 3.24Å; A89-F100 PolarHBondContact N-O 2.7Å; A89-F100 PolarHBondContact O-N 2.87Å; A89-L102 HydrophobicContact CB-CB 4.14Å
90R91.6Very high84.9Confident90 Ų9064.2 Ų64.234%0.3434%0.343SS..EExtended strand (participates in β ladder)trans-119.3135.7176.7-167-168.8-34.1-165.56.2109.9F72 Q73 I75 R92 G98F72-R90 WeakPolarHBondContact CA-O 3.34Å; Q73-R90 PolarHBondContact N-O 2.81Å; Q73-R90 PolarHBondContact O-N 2.87Å; I75-R90 HydrophobicContact CD1-CB 4.44Å; I75-R90 HydrophobicContact CG2-CB 4.31Å; R90-R92 PolarHBondContact O-N 2.85Å; R90-G98 WeakPolarHBondContact CA-O 3.36Å
91L89.5Confident85.3Confident29 Ų2962.6 Ų62.615%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-69.1121.6172.8-166.272.2000110.3L67 D71 F72 R93 C94 G98 F100L67-L91 HydrophobicContact CD1-CD1 3.95Å; D71-L91 HydrophobicContact CB-CD1 3.82Å; D71-L91 CarbonylContact O-C 3.45Å; F72-L91 HydrophobicContact CD1-CD1 4.42Å; F72-L91 HydrophobicContact CE1-CD1 4.08Å; F72-L91 HydrophobicContact CZ-CD1 4.24Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.03Å; L91-C94 HydrophobicContact CD2-CB 4.25Å; L91-C94 CarbonylContact O-C 3.39Å; L91-C94 PolarHBondContact O-N 2.88Å; L91-C94 VanDerWaalsContact O-N 3.14Å; L91-G98 PolarHBondContact N-O 2.82Å; L91-F100 HydrophobicContact CB-CE2 4.09Å
92R87.7Confident85.9Confident145 Ų14560.4 Ų60.455%0.54730%0.301SS..THydrogen-bonded Turntrans-60.7-37.1-177.9-68.8178.6-174.2-87.60.9112.6S70 D71 F72 Q73 R90 C94S70-R92 WeakPolarHBondContact O-CD 3.48Å; S70-R92 PolarHBondContact O-NE 2.92Å; D71-R92 WeakPolarHBondContact O-CB 3.43Å; D71-R92 WeakPolarHBondContact O-CG 3.44Å; D71-R92 PolarHBondContact O-N 2.8Å; F72-R92 PolarHBondContact O-NE 2.85Å; Q73-R92 HydrophobicContact CB-CG 4.17Å; R90-R92 PolarHBondContact O-N 2.85Å; R92-C94 PolarHBondContact O-N 3.38Å
93R83.8Confident86.6Confident179 Ų17958 Ų5868%0.67529%0.288SS*.THydrogen-bonded Turntrans-72.2-15.7-179.1-55.9-175.4-164-168.26113.2D71 L91D71-R93 IonicContact OD1-CZ 3.18Å; D71-R93 IonicContact OD1-NE 2.85Å; D71-R93 PolarHBondContact OD1-NE 3.26Å; D71-R93 IonicContact OD1-NH2 2.74Å; D71-R93 PolarHBondContact OD1-NH2 2.84Å; D71-R93 IonicContact OD2-NH2 3.56Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.03Å
94C76.3Confident86.9Confident58 Ų5854.7 Ų54.739%0.39228%0.278SS..  trans-127.676.2179.1-61.50000111L91 R92 H96 G97L91-C94 HydrophobicContact CD2-CB 4.25Å; L91-C94 CarbonylContact O-C 3.39Å; L91-C94 PolarHBondContact O-N 2.88Å; L91-C94 VanDerWaalsContact O-N 3.14Å; R92-C94 PolarHBondContact O-N 3.38Å; C94-H96 PolarHBondContact O-N 3.12Å; C94-H96 VanDerWaalsContact O-N 3.15Å; C94-G97 WeakPolarHBondContact CB-O 3.43Å; C94-G97 CarbonylContact O-C 3.52Å; C94-G97 PolarHBondContact O-N 3.41Å
95P61.6Low86.9Confident76 Ų7654.4 Ų54.449%0.49428%0.277SS..THydrogen-bonded Turntrans-61.5-28.7-173.2-2231.9000114.5
96H63.7Low86.4Confident196 Ų19659.6 Ų59.691%0.90730%0.296SS*.THydrogen-bonded Turntrans-98.32.2-173.3-58.9-61.1000114.2C94C94-H96 PolarHBondContact O-N 3.12Å; C94-H96 VanDerWaalsContact O-N 3.15Å
97G68.5Low85.7Confident47 Ų4762.5 Ų62.549%0.48530%0.303SS..SBendtrans-177.6129.717900000110.9C94C94-G97 WeakPolarHBondContact CB-O 3.43Å; C94-G97 CarbonylContact O-C 3.52Å; C94-G97 PolarHBondContact O-N 3.41Å
98G83.2Confident84.7Confident23 Ų2364.5 Ų64.524%0.23732%0.317CS..  trans131.157.2-177.400000112.1R90 L91 F100R90-G98 WeakPolarHBondContact CA-O 3.36Å; L91-G98 PolarHBondContact N-O 2.82Å; G98-F100 VanDerWaalsContact C-CE2 3.44Å; G98-F100 VanDerWaalsContact O-CD2 3.23Å; G98-F100 WeakPolarHBondContact O-CD2 3.36Å; G98-F100 VanDerWaalsContact O-CE2 3.3Å; G98-F100 WeakPolarHBondContact O-CE2 3.15Å
99V91.9Very high83.3Confident57 Ų5765.7 Ų65.735%0.34533%0.325SS..EExtended strand (participates in β ladder)trans-91.2132.4168.4-178.60000108.3K88 A89 H151K88-V99 HydrophobicContact CD-CG1 4.38Å; K88-V99 HydrophobicContact CG-CG1 3.72Å; A89-V99 CarbonylContact O-C 3.55Å; A89-V99 VanDerWaalsContact O-CA 3.31Å; A89-V99 WeakPolarHBondContact O-CA 3.24Å; V99-H151 HydrophobicContact CG1-CB 4.1Å; V99-H151 WeakPolarHBondContact O-CB 3.49Å
100F94.1Very high82Confident36 Ų3666.7 Ų66.716%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-131.3159.9-176-61.6-85.4000110.1F72 A89 L91 G98 H135 V148 F149F72-F100 HydrophobicContact CD1-CD2 4.41Å; F72-F100 HydrophobicContact CE1-CB 4.33Å; F72-F100 AromaticContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CE2 4.32Å; F72-F100 HydrophobicContact CE1-CG 4.13Å; A89-F100 PolarHBondContact N-O 2.7Å; A89-F100 PolarHBondContact O-N 2.87Å; L91-F100 HydrophobicContact CB-CE2 4.09Å; G98-F100 VanDerWaalsContact C-CE2 3.44Å; G98-F100 VanDerWaalsContact O-CD2 3.23Å; G98-F100 WeakPolarHBondContact O-CD2 3.36Å; G98-F100 VanDerWaalsContact O-CE2 3.3Å; G98-F100 WeakPolarHBondContact O-CE2 3.15Å; F100-H135 AromaticContact CD1-CD2 3.7Å; F100-H135 AromaticContact CE1-CD2 3.65Å; F100-H135 AromaticContact CE1-NE2 3.72Å; F100-V148 HydrophobicContact CB-CG1 3.82Å; F100-V148 HydrophobicContact CD1-CG1 3.84Å; F100-V148 HydrophobicContact CG-CG1 3.9Å; F100-F149 WeakPolarHBondContact CA-O 3.36Å; F100-F149 WeakPolarHBondContact CB-O 3.36Å
101A95.6Very high81.3Confident12 Ų1264.1 Ų64.110%0.09934%0.337CS..EExtended strand (participates in β ladder)trans-98.8122.2167.100000109L78 V86 Y87 F149L78-A101 HydrophobicContact CD1-CB 3.96Å; V86-A101 HydrophobicContact CG1-CB 3.98Å; Y87-A101 CarbonylContact O-C 3.53Å; Y87-A101 WeakPolarHBondContact O-CA 3.49Å; A101-F149 HydrophobicContact CB-CB 4.36Å; A101-F149 PolarHBondContact N-O 3.09Å; A101-F149 PolarHBondContact O-N 3.42Å
102L94.1Very high81Confident2 Ų268.7 Ų68.71%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-106104.4-178-177.472.6000109.2M69 V74 V86 Y87 A89 V146 V148M69-L102 HydrophobicContact CE-CD2 3.59Å; M69-L102 HydrophobicContact SD-CD1 3.89Å; M69-L102 HydrophobicContact SD-CD2 3.94Å; M69-L102 HydrophobicContact SD-CG 4.47Å; V74-L102 HydrophobicContact CG2-CD2 4.39Å; V86-L102 WeakPolarHBondContact CA-O 3.21Å; Y87-L102 PolarHBondContact N-O 2.84Å; Y87-L102 PolarHBondContact O-N 3.17Å; A89-L102 HydrophobicContact CB-CB 4.14Å; L102-V146 HydrophobicContact CD1-CG1 3.48Å; L102-V146 VanDerWaalsContact CD1-CG1 3.48Å; L102-V146 HydrophobicContact CG-CG1 4.08Å; L102-V148 HydrophobicContact CD1-CG2 3.92Å
103K93.8Very high80.8Confident22 Ų2268.5 Ų68.510%0.09636%0.358CS..EExtended strand (participates in β ladder)trans-85.4117.6176.4-175.4173.8175.6178.40108.8N84 V86 V146 A147 F149 D215 D217N84-K103 HydrophobicContact CB-CG 4.01Å; N84-K103 VanDerWaalsContact CG-CE 3.46Å; N84-K103 VanDerWaalsContact ND2-CE 3.29Å; N84-K103 WeakPolarHBondContact ND2-CE 3.45Å; V86-K103 HydrophobicContact CG2-CB 4.42Å; V86-K103 HydrophobicContact CG2-CG 4.35Å; K103-V146 WeakPolarHBondContact O-CA 3.27Å; K103-A147 PolarHBondContact N-O 3.18Å; K103-A147 PolarHBondContact O-N 3.3Å; K103-F149 HydrophobicContact CB-CD2 4.28Å; K103-F149 HydrophobicContact CB-CE2 3.98Å; K103-F149 HydrophobicContact CD-CE2 4.3Å; K103-D215 IonicContact NZ-OD1 3.48Å; K103-D215 PolarHBondContact NZ-OD1 3.38Å; K103-D215 IonicContact NZ-OD2 3.6Å; K103-D215 PolarHBondContact NZ-OD2 2.82Å; K103-D217 WeakPolarHBondContact CE-OD2 3.34Å; K103-D217 IonicContact NZ-OD1 3.88Å; K103-D217 IonicContact NZ-OD2 2.85Å; K103-D217 PolarHBondContact NZ-OD2 3.49Å
104T90.6Very high80.9Confident24 Ų2464.5 Ų64.515%0.14735%0.347CS..EExtended strand (participates in β ladder)trans-125.4133.2-176.8-51.40000109.5N84 V85 V146N84-T104 CarbonylContact C-O 3.57Å; N84-T104 VanDerWaalsContact CA-O 3.29Å; N84-T104 WeakPolarHBondContact CA-O 3.42Å; V85-T104 WeakPolarHBondContact CG1-O 3.46Å; V85-T104 PolarHBondContact N-O 2.89Å; V85-T104 PolarHBondContact O-N 2.75Å; V85-T104 VanDerWaalsContact O-O 3.13Å; T104-V146 HydrophobicContact CG2-CG2 4.19Å
105P87.8Confident81.4Confident11 Ų1161.9 Ų61.97%0.07133%0.329CS..EExtended strand (participates in β ladder)trans-77.8148.1179.232.1-35.9000111.4Y83 N84 Y107 L109 L144 R145Y83-P105 WeakPolarHBondContact O-CA 3.39Å; N84-P105 VanDerWaalsContact OD1-CA 3.25Å; N84-P105 WeakPolarHBondContact OD1-CA 3.45Å; P105-Y107 WeakPolarHBondContact CB-O 3.3Å; P105-L109 HydrophobicContact CB-CD1 3.55Å; P105-L109 HydrophobicContact CB-CG 3.68Å; P105-L144 HydrophobicContact CG-CB 4.06Å; P105-L144 HydrophobicContact CG-CD2 3.98Å; P105-R145 WeakPolarHBondContact CD-O 3.41Å
106Y83.4Confident82.8Confident115 Ų11562.7 Ų62.745%0.45133%0.326SS..SBendtrans-73.7-32.1173.6-69.7-61.3000112.8G81 Y83 N84 V85G81-Y106 WeakPolarHBondContact O-CE2 3.32Å; Y83-Y106 VanDerWaalsContact C-CD2 3.47Å; Y83-Y106 PolarHBondContact O-N 2.75Å; N84-Y106 WeakPolarHBondContact O-CE2 3.3Å; V85-Y106 HydrophobicContact CB-CE1 3.82Å; V85-Y106 HydrophobicContact CG1-CD1 4.48Å; V85-Y106 HydrophobicContact CG1-CE1 4.08Å
107Y79.6Confident84.1Confident103 Ų10355.9 Ų55.940%0.40430%0.304SS..SBendtrans-144.2166.6-175.334.9-91.5000108.5L82 Y83 P105 L109L82-Y107 PolarHBondContact O-OH 3.02Å; Y83-Y107 AromaticContact CD1-CE2 3.8Å; Y83-Y107 HydrophobicContact CD1-CE2 3.8Å; Y83-Y107 AromaticContact CD1-CZ 3.82Å; Y83-Y107 WeakPolarHBondContact CD1-OH 3.44Å; Y83-Y107 HydrophobicContact CE1-CE2 4.46Å; P105-Y107 WeakPolarHBondContact CB-O 3.3Å; Y107-L109 HydrophobicContact CD2-CD2 3.52Å; Y107-L109 HydrophobicContact CE2-CD2 3.38Å; Y107-L109 WeakPolarHBondContact O-CG 3.09Å; Y107-L109 PolarHBondContact O-N 3.26Å
108D73Confident85.2Confident89 Ų8954.2 Ų54.248%0.47628%0.284SS..  trans-55.7113171.7-167.8-17.1000110G110 S143 L144D108-G110 PolarHBondContact OD1-N 3.25Å; D108-G110 VanDerWaalsContact OD1-O 3.08Å; D108-S143 WeakPolarHBondContact OD1-CB 3.36Å; D108-S143 WeakPolarHBondContact OD2-CB 3.39Å; D108-S143 PolarHBondContact OD2-OG 3.27Å; D108-L144 HydrophobicContact CB-CD2 4.49Å
109L66.2Low85.7Confident65 Ų6553.1 Ų53.134%0.3427%0.272SS..  trans-93.7-6.6-174.6-67.5-176.1000113.1Y83 N84 P105 Y107Y83-L109 HydrophobicContact CD1-CD2 3.87Å; Y83-L109 HydrophobicContact CG-CD2 4.17Å; N84-L109 WeakPolarHBondContact OD1-CD1 3.28Å; P105-L109 HydrophobicContact CB-CD1 3.55Å; P105-L109 HydrophobicContact CB-CG 3.68Å; Y107-L109 HydrophobicContact CD2-CD2 3.52Å; Y107-L109 HydrophobicContact CE2-CD2 3.38Å; Y107-L109 WeakPolarHBondContact O-CG 3.09Å; Y107-L109 PolarHBondContact O-N 3.26Å
110G65.7Low85.8Confident21 Ų2151.1 Ų51.122%0.21626%0.262CS..  trans163174.8-175.300000114.3D108D108-G110 PolarHBondContact OD1-N 3.25Å; D108-G110 VanDerWaalsContact OD1-O 3.08Å
111G77.7Confident85.9Confident36 Ų3649.5 Ų49.537%0.37126%0.255SS..  trans-88.5179.8178.500000112.9E113 E114 D115G111-E113 PolarHBondContact O-N 2.8Å; G111-E114 VanDerWaalsContact CA-OE2 3.27Å; G111-E114 WeakPolarHBondContact CA-OE2 3.43Å; G111-E114 PolarHBondContact N-OE2 3.15Å; G111-E114 PolarHBondContact O-N 3.17Å; G111-E114 VanDerWaalsContact O-OE2 3.14Å; G111-D115 PolarHBondContact O-N 3.02Å
112R81.7Confident86Confident125 Ų12549.5 Ų49.547%0.47225%0.254SS..Hα-helixtrans-55.5-25.5177-60.2-167.1161.9-129-6.2113.1E59 E116 E142E59-R112 IonicContact OE1-NH1 2.64Å; E59-R112 PolarHBondContact OE1-NH1 2.71Å; E59-R112 IonicContact OE2-CZ 3.96Å; E59-R112 IonicContact OE2-NH1 3.34Å; E59-R112 PolarHBondContact OE2-NH1 3.02Å; E59-R112 VanDerWaalsContact OE2-NH1 3.12Å; E59-R112 IonicContact OE2-NH2 2.76Å; E59-R112 PolarHBondContact OE2-NH2 2.92Å; R112-E116 WeakPolarHBondContact O-CB 3.41Å; R112-E116 PolarHBondContact O-N 2.9Å; R112-E116 VanDerWaalsContact O-N 3.12Å; R112-E142 IonicContact CZ-OE2 3.69Å; R112-E142 IonicContact NE-OE2 3.15Å; R112-E142 IonicContact NH2-OE1 3.58Å; R112-E142 IonicContact NH2-OE2 3.36Å; R112-E142 PolarHBondContact NH2-OE2 2.83Å
113E84.7Confident86Confident142 Ų14255.5 Ų55.566%0.66428%0.276SS*.Hα-helixtrans-74.5-44.3-179.2-172175.1179.200112.3G111 D115 E116 A117G111-E113 PolarHBondContact O-N 2.8Å; E113-D115 VanDerWaalsContact C-N 3.33Å; E113-E116 PolarHBondContact O-N 2.95Å; E113-A117 WeakPolarHBondContact O-CB 3.34Å; E113-A117 PolarHBondContact O-N 3.03Å
114E85.4Confident86.2Confident95 Ų9559.5 Ų59.544%0.44429%0.291SS..Hα-helixtrans-64.5-39.8175.9-66.979.4-173.600111.4G111 A117 V118 R145G111-E114 VanDerWaalsContact CA-OE2 3.27Å; G111-E114 WeakPolarHBondContact CA-OE2 3.43Å; G111-E114 PolarHBondContact N-OE2 3.15Å; G111-E114 PolarHBondContact O-N 3.17Å; G111-E114 VanDerWaalsContact O-OE2 3.14Å; E114-A117 PolarHBondContact O-N 3.49Å; E114-V118 PolarHBondContact O-N 2.92Å; E114-V118 VanDerWaalsContact O-N 3.08Å; E114-R145 VanDerWaalsContact C-NH2 3.32Å; E114-R145 PolarHBondContact O-NH2 2.88Å
115D87.6Confident86.5Confident3 Ų358.6 Ų58.62%0.01629%0.285CS..Hα-helixtrans-59.2-47.9174.2-73.1-3000111.5I61 G111 E113 A117 V118 A119 M137 R139 R145I61-D115 HydrophobicContact CD1-CB 4.03Å; G111-D115 PolarHBondContact O-N 3.02Å; E113-D115 VanDerWaalsContact C-N 3.33Å; D115-A117 VanDerWaalsContact C-N 3.34Å; D115-A117 PolarHBondContact O-N 3.26Å; D115-V118 PolarHBondContact O-N 2.75Å; D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 2.7Å; D115-M137 WeakPolarHBondContact O-CE 3.42Å; D115-R139 IonicContact OD2-NH1 3.61Å; D115-R145 IonicContact OD1-CZ 3.41Å; D115-R145 IonicContact OD1-NE 2.79Å; D115-R145 PolarHBondContact OD1-NE 3.41Å; D115-R145 IonicContact OD1-NH2 3.72Å; D115-R145 PolarHBondContact OD1-NH2 3.12Å
116E89.8Confident86.9Confident93 Ų9363.1 Ų63.144%0.43531%0.305SS..Hα-helixtrans-68.2-34.6-179.7-173.656.4-14500111.8R112 E113 A119 A120 R123R112-E116 WeakPolarHBondContact O-CB 3.41Å; R112-E116 PolarHBondContact O-N 2.9Å; R112-E116 VanDerWaalsContact O-N 3.12Å; E113-E116 PolarHBondContact O-N 2.95Å; E116-A119 WeakPolarHBondContact O-CB 3.33Å; E116-A119 PolarHBondContact O-N 3.28Å; E116-A120 VanDerWaalsContact O-CB 3.3Å; E116-A120 WeakPolarHBondContact O-CB 3.47Å; E116-A120 PolarHBondContact O-N 3.42Å; E116-R123 IonicContact OE1-CZ 3.71Å; E116-R123 IonicContact OE1-NH2 3.12Å; E116-R123 PolarHBondContact OE1-NH2 3.08Å
117A90.7Very high87.5Confident53 Ų5361.1 Ų61.144%0.43832%0.319SS..Hα-helixtrans-62.7-46.6174.800000111.4E113 E114 D115 A120 V121E113-A117 WeakPolarHBondContact O-CB 3.34Å; E113-A117 PolarHBondContact O-N 3.03Å; E114-A117 PolarHBondContact O-N 3.49Å; D115-A117 VanDerWaalsContact C-N 3.34Å; D115-A117 PolarHBondContact O-N 3.26Å; A117-A120 PolarHBondContact O-N 2.83Å; A117-V121 PolarHBondContact O-N 3.36Å; A117-V121 VanDerWaalsContact O-N 3.17Å
118V92.7Very high88.3Confident11 Ų1157.5 Ų57.57%0.06731%0.307CS..Hα-helixtrans-67.5-40.5175.8172.90000110.9E114 D115 A120 V121 L122 M137E114-V118 PolarHBondContact O-N 2.92Å; E114-V118 VanDerWaalsContact O-N 3.08Å; D115-V118 PolarHBondContact O-N 2.75Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 3.22Å; V118-V121 WeakPolarHBondContact O-CB 2.93Å; V118-V121 PolarHBondContact O-N 3.03Å; V118-V121 VanDerWaalsContact O-N 3.09Å; V118-L122 HydrophobicContact CG1-CD1 3.95Å; V118-L122 HydrophobicContact CG1-CG 4.21Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 2.86Å; V118-M137 HydrophobicContact CG1-SD 4.47Å
119A93Very high89.5Confident0 Ų059.6 Ų59.60%031%0.313CS..Hα-helixtrans-55.5-44.6173.300000112.2I61 V62 D115 E116 V121 L122 R123 M137I61-A119 HydrophobicContact CG2-CB 3.54Å; V62-A119 HydrophobicContact CG2-CB 3.51Å; D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 2.7Å; E116-A119 WeakPolarHBondContact O-CB 3.33Å; E116-A119 PolarHBondContact O-N 3.28Å; A119-V121 VanDerWaalsContact C-N 3.29Å; A119-V121 PolarHBondContact O-N 3.23Å; A119-L122 PolarHBondContact O-N 2.68Å; A119-R123 WeakPolarHBondContact O-CB 3.43Å; A119-R123 WeakPolarHBondContact O-CG 3.41Å; A119-R123 PolarHBondContact O-N 3.32Å; A119-R123 PolarHBondContact O-NE 3.38Å; A119-M137 HydrophobicContact CB-CE 3.5Å; A119-M137 VanDerWaalsContact CB-CE 3.5Å
120A94.7Very high91Very high16 Ų1657.6 Ų57.613%0.13230%0.303CS..Hα-helixtrans-66.3-30.417900000112.7E116 A117 V118 R124 I221E116-A120 VanDerWaalsContact O-CB 3.3Å; E116-A120 WeakPolarHBondContact O-CB 3.47Å; E116-A120 PolarHBondContact O-N 3.42Å; A117-A120 PolarHBondContact O-N 2.83Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 3.22Å; A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 2.74Å; A120-R124 PolarHBondContact O-NH1 3.41Å; A120-I221 HydrophobicContact CB-CD1 3.85Å
121V96.7Very high92.6Very high2 Ų257 Ų571%0.01230%0.295CS..Hα-helixtrans-70.3-52.3170.3173.80000110A117 V118 A119 R123 R124 V125 V193 F216 A219 I221A117-V121 PolarHBondContact O-N 3.36Å; A117-V121 VanDerWaalsContact O-N 3.17Å; V118-V121 WeakPolarHBondContact O-CB 2.93Å; V118-V121 PolarHBondContact O-N 3.03Å; V118-V121 VanDerWaalsContact O-N 3.09Å; A119-V121 VanDerWaalsContact C-N 3.29Å; A119-V121 PolarHBondContact O-N 3.23Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 2.88Å; V121-R124 WeakPolarHBondContact O-CA 3.25Å; V121-R124 WeakPolarHBondContact O-CB 3.29Å; V121-R124 PolarHBondContact O-N 2.68Å; V121-V125 HydrophobicContact CG1-CG1 4.27Å; V121-V125 WeakPolarHBondContact O-CG1 3.48Å; V121-V125 PolarHBondContact O-N 3.23Å; V121-V193 HydrophobicContact CG1-CG1 3.83Å; V121-F216 HydrophobicContact CG1-CB 3.97Å; V121-F216 HydrophobicContact CG1-CD1 3.75Å; V121-F216 HydrophobicContact CG1-CG 4.17Å; V121-A219 HydrophobicContact CG1-CB 3.91Å; V121-A219 HydrophobicContact CG2-CB 4.47Å; V121-I221 HydrophobicContact CG2-CD1 3.75Å; V121-I221 HydrophobicContact CG2-CG1 3.91Å
122L96.4Very high93.6Very high12 Ų1255.6 Ų55.66%0.06328%0.279CS..Hα-helixtrans-57-43.9-178-69.5175.5000112V118 A119 R124 V125 E126 C134 M137 F149 F216V118-L122 HydrophobicContact CG1-CD1 3.95Å; V118-L122 HydrophobicContact CG1-CG 4.21Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 2.86Å; A119-L122 PolarHBondContact O-N 2.68Å; L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 2.81Å; L122-V125 WeakPolarHBondContact O-CG2 3.37Å; L122-V125 PolarHBondContact O-N 2.7Å; L122-E126 PolarHBondContact O-N 2.97Å; L122-E126 VanDerWaalsContact O-N 3.09Å; L122-C134 HydrophobicContact CD1-CB 4.16Å; L122-C134 HydrophobicContact CD2-CB 4.07Å; L122-M137 HydrophobicContact CD1-SD 3.99Å; L122-F149 HydrophobicContact CD2-CE1 4.45Å; L122-F216 HydrophobicContact CD2-CB 4.27Å; L122-F216 HydrophobicContact CD2-CD2 4.27Å; L122-F216 HydrophobicContact CD2-CG 4.47Å
123R95.7Very high94.3Very high127 Ų12755.8 Ų55.848%0.47928%0.279SS..Hα-helixtrans-60.3-37.7173.5-74.4-176.1-75.9128.6-10.5112.7V62 E116 A119 V121V62-R123 HydrophobicContact CG1-CG 4.39Å; V62-R123 HydrophobicContact CG2-CG 4.31Å; E116-R123 IonicContact OE1-CZ 3.71Å; E116-R123 IonicContact OE1-NH2 3.12Å; E116-R123 PolarHBondContact OE1-NH2 3.08Å; A119-R123 WeakPolarHBondContact O-CB 3.43Å; A119-R123 WeakPolarHBondContact O-CG 3.41Å; A119-R123 PolarHBondContact O-N 3.32Å; A119-R123 PolarHBondContact O-NE 3.38Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 2.88Å
124R96.4Very high94.8Very high107 Ų10749.7 Ų49.740%0.40425%0.252SS..Hα-helixtrans-71.2-32.6177.1-84.3-176.3176.290.4-5.7112.6A120 V121 L122 R191 V193 I221A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 2.74Å; A120-R124 PolarHBondContact O-NH1 3.41Å; V121-R124 WeakPolarHBondContact O-CA 3.25Å; V121-R124 WeakPolarHBondContact O-CB 3.29Å; V121-R124 PolarHBondContact O-N 2.68Å; L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 2.81Å; R124-R191 WeakPolarHBondContact O-CD 3.4Å; R124-R191 PolarHBondContact O-NH1 2.89Å; R124-V193 HydrophobicContact CB-CG2 3.95Å; R124-I221 VanDerWaalsContact CZ-CG2 3.49Å
125V97.4Very high95.1Very high5 Ų547.6 Ų47.63%0.0324%0.242CC..Hα-helixtrans-94.5-3.4-174.6-53.30000113.3V121 L122 G127 L128 V131 L188 V193 F216V121-V125 HydrophobicContact CG1-CG1 4.27Å; V121-V125 WeakPolarHBondContact O-CG1 3.48Å; V121-V125 PolarHBondContact O-N 3.23Å; L122-V125 WeakPolarHBondContact O-CG2 3.37Å; L122-V125 PolarHBondContact O-N 2.7Å; V125-G127 PolarHBondContact O-N 2.81Å; V125-L128 HydrophobicContact CB-CD1 4.02Å; V125-L128 HydrophobicContact CG1-CD1 4.43Å; V125-L128 WeakPolarHBondContact O-CB 3.29Å; V125-L128 WeakPolarHBondContact O-CG 3.43Å; V125-L128 PolarHBondContact O-N 3.25Å; V125-V131 HydrophobicContact CB-CG1 4.42Å; V125-V131 HydrophobicContact CG2-CG1 4.17Å; V125-L188 HydrophobicContact CB-CD2 3.83Å; V125-L188 HydrophobicContact CG1-CD2 3.25Å; V125-V193 HydrophobicContact CG1-CB 4.19Å; V125-V193 HydrophobicContact CG1-CG1 4.02Å; V125-V193 HydrophobicContact CG1-CG2 3.99Å; V125-F216 HydrophobicContact CG1-CE1 4.15Å; V125-F216 HydrophobicContact CG2-CE1 4.39Å; V125-F216 HydrophobicContact CG2-CZ 4.33Å
126E95.7Very high95.2Very high106 Ų10647.6 Ų47.650%0.49524%0.243SC..THydrogen-bonded Turntrans-54.4133.6-179.4-172.1177.3-166.900112.6L122 L128 R133 R191L122-E126 PolarHBondContact O-N 2.97Å; L122-E126 VanDerWaalsContact O-N 3.09Å; E126-L128 PolarHBondContact O-N 3.03Å; E126-R133 IonicContact OE1-NH2 3.85Å; E126-R191 PolarHBondContact O-NH1 3.4Å; E126-R191 PolarHBondContact O-NH2 3.02Å
127G96Very high95.3Very high72 Ų7243.2 Ų43.274%0.74222%0.223SC*.THydrogen-bonded Turntrans74.26.8177.900000115V125V125-G127 PolarHBondContact O-N 2.81Å
128L98.2Very high95.1Very high27 Ų2741 Ų4114%0.14120%0.203CC..  trans-68.5137.1167.7-72.8177.8000110.8V125 E126 V131 L188 R191V125-L128 HydrophobicContact CB-CD1 4.02Å; V125-L128 HydrophobicContact CG1-CD1 4.43Å; V125-L128 WeakPolarHBondContact O-CB 3.29Å; V125-L128 WeakPolarHBondContact O-CG 3.43Å; V125-L128 PolarHBondContact O-N 3.25Å; E126-L128 PolarHBondContact O-N 3.03Å; L128-V131 HydrophobicContact CB-CB 4.06Å; L128-V131 HydrophobicContact CB-CG2 3.79Å; L128-V131 HydrophobicContact CD1-CG2 4.31Å; L128-L188 HydrophobicContact CD1-CD2 3.8Å; L128-L188 HydrophobicContact CD1-CG 4.43Å; L128-R191 VanDerWaalsContact CD2-CZ 3.44Å
129E96.7Very high94.7Very high133 Ų13341.2 Ų41.262%0.62120%0.203SC*.THydrogen-bonded Turntrans-63.3149.4167.9-164.1-177-174.400109.9V131E129-V131 PolarHBondContact O-N 3.23Å; E129-V131 VanDerWaalsContact O-N 3.13Å
130H98.6Very high93.9Very high24 Ų2443.4 Ų43.411%0.11121%0.211CC..THydrogen-bonded Turntrans59.619.8-179.8-56.4-65.8000115A180 A184 I211 K212 I213H130-A180 HydrophobicContact CB-CB 4.5Å; H130-A180 WeakPolarHBondContact CB-O 3.35Å; H130-A180 WeakPolarHBondContact ND1-CB 3.38Å; H130-A184 HydrophobicContact CB-CB 3.81Å; H130-A184 WeakPolarHBondContact O-CB 3.45Å; H130-I211 PolarHBondContact ND1-O 3.4Å; H130-K212 CarbonylContact O-C 3.19Å; H130-K212 VanDerWaalsContact O-CA 3.25Å; H130-K212 WeakPolarHBondContact O-CA 3.17Å; H130-I213 PolarHBondContact O-N 2.88Å
131V98.6Very high93Very high8 Ų846.9 Ų46.95%0.04823%0.227CC..BIsolated β-bridgetrans-120.2130.8171.8175.40000108.9V125 L128 E129 R133 A184 L188 F216V125-V131 HydrophobicContact CB-CG1 4.42Å; V125-V131 HydrophobicContact CG2-CG1 4.17Å; L128-V131 HydrophobicContact CB-CB 4.06Å; L128-V131 HydrophobicContact CB-CG2 3.79Å; L128-V131 HydrophobicContact CD1-CG2 4.31Å; E129-V131 PolarHBondContact O-N 3.23Å; E129-V131 VanDerWaalsContact O-N 3.13Å; V131-R133 PolarHBondContact O-N 3.33Å; V131-A184 HydrophobicContact CG2-CB 4.1Å; V131-L188 HydrophobicContact CG2-CD2 4.26Å; V131-F216 HydrophobicContact CG1-CE2 3.67Å; V131-F216 HydrophobicContact CG1-CZ 3.62Å; V131-F216 HydrophobicContact CG2-CZ 4.44Å
132V98.2Very high91.6Very high7 Ų752 Ų524%0.04225%0.251CS..PPolyproline II helixtrans-64.1122.4177.5175.10000109.5C134 F149 E150 M152 L204 K212 I213 C214V132-C134 PolarHBondContact O-N 3.48Å; V132-F149 HydrophobicContact CG1-CB 4Å; V132-F149 HydrophobicContact CG1-CD1 4.01Å; V132-F149 HydrophobicContact CG1-CG 4.39Å; V132-E150 VanDerWaalsContact CA-OE1 3.32Å; V132-E150 WeakPolarHBondContact CA-OE1 3.42Å; V132-E150 HydrophobicContact CG1-CG 3.71Å; V132-M152 HydrophobicContact CG2-CG 4.12Å; V132-L204 HydrophobicContact CG2-CD1 4.13Å; V132-K212 HydrophobicContact CG2-CB 3.54Å; V132-K212 HydrophobicContact CG2-CD 4.35Å; V132-I213 PolarHBondContact N-O 3.4Å; V132-C214 HydrophobicContact CB-CB 3.92Å; V132-C214 HydrophobicContact CG1-CB 4.46Å; V132-C214 HydrophobicContact CG2-CB 3.7Å
133R96.3Very high90.3Very high128 Ų12852.9 Ų52.948%0.48326%0.258SS..PPolyproline II helixtrans-69.4122.6179.8-174.8175.2-173.1175.34.6110.8E126 V131 F149 E150E126-R133 IonicContact OE1-NH2 3.85Å; V131-R133 PolarHBondContact O-N 3.33Å; R133-F149 CarbonylContact O-C 3.59Å; R133-F149 VanDerWaalsContact O-CA 3.28Å; R133-F149 WeakPolarHBondContact O-CA 3.38Å; R133-E150 HydrophobicContact CB-CB 4.38Å; R133-E150 HydrophobicContact CB-CG 4.15Å; R133-E150 PolarHBondContact N-OE1 2.92Å; R133-E150 PolarHBondContact O-N 2.89Å
134C95.1Very high89.2Confident14 Ų1448.9 Ų48.910%0.09525%0.246CC..EExtended strand (participates in β ladder)trans-81.6120159.7-175.10000108.7L122 V132 A136 V148 F149L122-C134 HydrophobicContact CD1-CB 4.16Å; L122-C134 HydrophobicContact CD2-CB 4.07Å; V132-C134 PolarHBondContact O-N 3.48Å; C134-A136 PolarHBondContact SG-O 3.45Å; C134-A136 VanDerWaalsContact SG-O 3.35Å; C134-V148 CarbonylContact C-O 3.59Å; C134-F149 HydrophobicContact CB-CD1 3.85Å; C134-F149 HydrophobicContact CB-CE1 3.6Å; C134-F149 HydrophobicContact CB-CZ 4.39Å
135H92.1Very high88.7Confident51 Ų5145.6 Ų45.624%0.23623%0.234CC..EExtended strand (participates in β ladder)trans-84.6-38.5176.3-72.5-79.8000112.1G63 F100 V148 E150G63-H135 WeakPolarHBondContact CA-O 3.19Å; F100-H135 AromaticContact CD1-CD2 3.7Å; F100-H135 AromaticContact CE1-CD2 3.65Å; F100-H135 AromaticContact CE1-NE2 3.72Å; H135-V148 HydrophobicContact CB-CB 4.45Å; H135-V148 HydrophobicContact CB-CG1 4.23Å; H135-V148 PolarHBondContact N-O 2.92Å; H135-E150 PolarHBondContact CD2-N 2.83Å
136A91.3Very high88.4Confident3 Ų345.4 Ų45.43%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-156.8155179.600000111.2V62 L67 C134 A147 V148V62-A136 CarbonylContact O-C 3.6Å; V62-A136 WeakPolarHBondContact O-CA 3.31Å; L67-A136 HydrophobicContact CD2-CB 3.59Å; C134-A136 PolarHBondContact SG-O 3.45Å; C134-A136 VanDerWaalsContact SG-O 3.35Å; A136-A147 WeakPolarHBondContact O-CA 3.39Å; A136-V148 HydrophobicContact CB-CB 4.32Å; A136-V148 HydrophobicContact CB-CG2 4.34Å; A136-V148 PolarHBondContact N-O 2.93Å; A136-V148 PolarHBondContact O-N 3.24Å
137M90.9Very high88.2Confident2 Ų240.6 Ų40.61%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-142.3132.4169.5-172.6171.278.500108.2I61 V62 D115 V118 A119 L122 R145 V146 A147I61-M137 WeakPolarHBondContact CA-O 3.43Å; I61-M137 HydrophobicContact CB-CE 3.84Å; I61-M137 HydrophobicContact CD1-CE 4.11Å; I61-M137 HydrophobicContact CD1-CG 4.4Å; I61-M137 HydrophobicContact CG2-CE 3.51Å; I61-M137 PolarHBondContact N-O 2.88Å; V62-M137 HydrophobicContact CB-CB 3.99Å; V62-M137 HydrophobicContact CG2-CB 4.43Å; V62-M137 HydrophobicContact CG2-CE 4.02Å; V62-M137 PolarHBondContact N-O 2.65Å; V62-M137 PolarHBondContact O-N 2.88Å; D115-M137 WeakPolarHBondContact O-CE 3.42Å; V118-M137 HydrophobicContact CG1-SD 4.47Å; A119-M137 HydrophobicContact CB-CE 3.5Å; A119-M137 VanDerWaalsContact CB-CE 3.5Å; L122-M137 HydrophobicContact CD1-SD 3.99Å; M137-R145 HydrophobicContact CG-CG 3.73Å; M137-R145 VanDerWaalsContact SD-CD 3.56Å; M137-R145 HydrophobicContact SD-CG 3.68Å; M137-V146 WeakPolarHBondContact CA-O 2.96Å; M137-A147 HydrophobicContact CB-CB 4.38Å; M137-A147 HydrophobicContact CG-CB 4.14Å
138F86Confident88.1Confident6 Ų637.2 Ų37.23%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-140.7154.7-17945.5-92.8000110.2E59 M69 V146 V148E59-F138 CarbonylContact O-C 3.53Å; E59-F138 VanDerWaalsContact O-CA 3.24Å; E59-F138 WeakPolarHBondContact O-CA 3.23Å; E59-F138 WeakPolarHBondContact O-CB 3.48Å; M69-F138 HydrophobicContact CG-CD2 4.37Å; M69-F138 HydrophobicContact CG-CE2 3.28Å; M69-F138 HydrophobicContact CG-CZ 3.62Å; M69-F138 HydrophobicContact SD-CE2 3.5Å; M69-F138 VanDerWaalsContact SD-CE2 3.5Å; M69-F138 HydrophobicContact SD-CZ 3.37Å; M69-F138 WeakPolarHBondContact SD-CZ 3.47Å; F138-V146 HydrophobicContact CD2-CB 3.92Å; F138-V146 HydrophobicContact CE2-CB 3.36Å; F138-V146 HydrophobicContact CE2-CG1 3.57Å; F138-V146 HydrophobicContact CE2-CG2 4.15Å; F138-V146 HydrophobicContact CZ-CB 3.84Å; F138-V146 HydrophobicContact CZ-CG1 3.55Å; F138-V146 PolarHBondContact N-O 2.73Å; F138-V146 PolarHBondContact O-N 3.16Å; F138-V148 HydrophobicContact CE1-CG2 3.81Å; F138-V148 HydrophobicContact CZ-CG2 4.36Å
139R84.6Confident88Confident15 Ų1537.4 Ų37.46%0.05718%0.176CC..EExtended strand (participates in β ladder)trans-100.7125.8175.7175.6165.353.1-126.1-5.6108.9E58 E59 I61 D115 E142E58-R139 WeakPolarHBondContact CA-O 3.32Å; E59-R139 PolarHBondContact N-O 3.32Å; E59-R139 PolarHBondContact O-N 2.83Å; E59-R139 IonicContact OE1-NH2 3.8Å; E59-R139 PolarHBondContact OE1-NH2 2.77Å; E59-R139 IonicContact OE2-CZ 2.82Å; E59-R139 IonicContact OE2-NE 3.66Å; E59-R139 IonicContact OE2-NH2 3.82Å; E59-R139 PolarHBondContact OE2-NH2 3.2Å; I61-R139 HydrophobicContact CD1-CB 3.91Å; I61-R139 HydrophobicContact CG1-CB 4.47Å; D115-R139 IonicContact OD2-NH1 3.61Å; R139-E142 WeakPolarHBondContact CD-O 3.39Å
140R76.2Confident87.9Confident47 Ų4733 Ų3318%0.17716%0.155CC..EExtended strand (participates in β ladder)trans-107137.7177.4-174.8-179.3-176.5-156.10.8110.1S56 E58 E142 S143 L144S56-R140 PolarHBondContact OG-NE 3.47Å; E58-R140 HydrophobicContact CG-CB 4.5Å; E58-R140 HydrophobicContact CG-CG 4.38Å; R140-E142 PolarHBondContact O-N 2.92Å; R140-S143 PolarHBondContact O-N 3.15Å; R140-L144 HydrophobicContact CB-CB 4.31Å; R140-L144 PolarHBondContact N-O 3.01Å; R140-L144 PolarHBondContact O-N 3.44Å
141N75.3Confident87.7Confident88 Ų8833.6 Ų33.647%0.47116%0.158SC..THydrogen-bonded Turntrans52.541.7177.7-57.5-23.8000112.6S56 D57 S143S56-N141 WeakPolarHBondContact CB-OD1 3.5Å; D57-N141 PolarHBondContact O-N 3.43Å; N141-S143 PolarHBondContact O-N 3.39Å
142E68.1Low87.6Confident110 Ų11033.8 Ų33.851%0.51416%0.158SC..THydrogen-bonded Turntrans63.4-0.8179.8-64.7-64.1147.900117.4R112 R139 R140R112-E142 IonicContact CZ-OE2 3.69Å; R112-E142 IonicContact NE-OE2 3.15Å; R112-E142 IonicContact NH2-OE1 3.58Å; R112-E142 IonicContact NH2-OE2 3.36Å; R112-E142 PolarHBondContact NH2-OE2 2.83Å; R139-E142 WeakPolarHBondContact CD-O 3.39Å; R140-E142 PolarHBondContact O-N 2.92Å
143S68.1Low87.4Confident30 Ų3035.2 Ų35.221%0.2117%0.166CC..THydrogen-bonded Turntrans-153.3-16.1179.471.50000118.2D108 R140 N141 R145D108-S143 WeakPolarHBondContact OD1-CB 3.36Å; D108-S143 WeakPolarHBondContact OD2-CB 3.39Å; D108-S143 PolarHBondContact OD2-OG 3.27Å; R140-S143 PolarHBondContact O-N 3.15Å; N141-S143 PolarHBondContact O-N 3.39Å; S143-R145 PolarHBondContact O-N 3.43Å
144L73.9Confident87.4Confident43 Ų4329.3 Ų29.323%0.22514%0.144CC..EExtended strand (participates in β ladder)trans-87.6101.3-179.2-59.1177.8000110.5P105 D108 R140 V146P105-L144 HydrophobicContact CG-CB 4.06Å; P105-L144 HydrophobicContact CG-CD2 3.98Å; D108-L144 HydrophobicContact CB-CD2 4.49Å; R140-L144 HydrophobicContact CB-CB 4.31Å; R140-L144 PolarHBondContact N-O 3.01Å; R140-L144 PolarHBondContact O-N 3.44Å; L144-V146 PolarHBondContact O-N 2.73Å
145R86.4Confident87.4Confident38 Ų3829.3 Ų29.314%0.14315%0.147CC..EExtended strand (participates in β ladder)trans-69.1112170.8-177.5-159.3-47.9176.37.9110.7P105 E114 D115 M137 S143 D217P105-R145 WeakPolarHBondContact CD-O 3.41Å; E114-R145 VanDerWaalsContact C-NH2 3.32Å; E114-R145 PolarHBondContact O-NH2 2.88Å; D115-R145 IonicContact OD1-CZ 3.41Å; D115-R145 IonicContact OD1-NE 2.79Å; D115-R145 PolarHBondContact OD1-NE 3.41Å; D115-R145 IonicContact OD1-NH2 3.72Å; D115-R145 PolarHBondContact OD1-NH2 3.12Å; M137-R145 HydrophobicContact CG-CG 3.73Å; M137-R145 VanDerWaalsContact SD-CD 3.56Å; M137-R145 HydrophobicContact SD-CG 3.68Å; S143-R145 PolarHBondContact O-N 3.43Å; R145-D217 IonicContact NH1-OD1 2.87Å
146V89.5Confident87.6Confident1 Ų128 Ų281%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-109.6139171.7-179.70000109.1M69 L102 K103 T104 M137 F138 L144M69-V146 HydrophobicContact SD-CG1 3.69Å; L102-V146 HydrophobicContact CD1-CG1 3.48Å; L102-V146 VanDerWaalsContact CD1-CG1 3.48Å; L102-V146 HydrophobicContact CG-CG1 4.08Å; K103-V146 WeakPolarHBondContact O-CA 3.27Å; T104-V146 HydrophobicContact CG2-CG2 4.19Å; M137-V146 WeakPolarHBondContact CA-O 2.96Å; F138-V146 HydrophobicContact CD2-CB 3.92Å; F138-V146 HydrophobicContact CE2-CB 3.36Å; F138-V146 HydrophobicContact CE2-CG1 3.57Å; F138-V146 HydrophobicContact CE2-CG2 4.15Å; F138-V146 HydrophobicContact CZ-CB 3.84Å; F138-V146 HydrophobicContact CZ-CG1 3.55Å; F138-V146 PolarHBondContact N-O 2.73Å; F138-V146 PolarHBondContact O-N 3.16Å; L144-V146 PolarHBondContact O-N 2.73Å
147A92.6Very high87.9Confident6 Ų627.9 Ų27.95%0.0514%0.143CC..EExtended strand (participates in β ladder)trans-132.3138.5-176.800000112.2K103 A136 M137 F149K103-A147 PolarHBondContact N-O 3.18Å; K103-A147 PolarHBondContact O-N 3.3Å; A136-A147 WeakPolarHBondContact O-CA 3.39Å; M137-A147 HydrophobicContact CB-CB 4.38Å; M137-A147 HydrophobicContact CG-CB 4.14Å; A147-F149 HydrophobicContact CB-CD2 4.18Å; A147-F149 HydrophobicContact CB-CE2 3.39Å; A147-F149 HydrophobicContact CB-CZ 3.88Å
148V93.8Very high88.1Confident1 Ų129 Ų291%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-105.4120.2-179.7-175.30000108.5L67 F72 F100 L102 C134 H135 A136 F138L67-V148 HydrophobicContact CD2-CG2 4.46Å; F72-V148 HydrophobicContact CE1-CG1 3.93Å; F72-V148 HydrophobicContact CE1-CG2 4.49Å; F72-V148 HydrophobicContact CE2-CG2 3.83Å; F72-V148 HydrophobicContact CZ-CB 4.34Å; F72-V148 HydrophobicContact CZ-CG1 3.7Å; F72-V148 HydrophobicContact CZ-CG2 3.7Å; F100-V148 HydrophobicContact CB-CG1 3.82Å; F100-V148 HydrophobicContact CD1-CG1 3.84Å; F100-V148 HydrophobicContact CG-CG1 3.9Å; L102-V148 HydrophobicContact CD1-CG2 3.92Å; C134-V148 CarbonylContact C-O 3.59Å; H135-V148 HydrophobicContact CB-CB 4.45Å; H135-V148 HydrophobicContact CB-CG1 4.23Å; H135-V148 PolarHBondContact N-O 2.92Å; A136-V148 HydrophobicContact CB-CB 4.32Å; A136-V148 HydrophobicContact CB-CG2 4.34Å; A136-V148 PolarHBondContact N-O 2.93Å; A136-V148 PolarHBondContact O-N 3.24Å; F138-V148 HydrophobicContact CE1-CG2 3.81Å; F138-V148 HydrophobicContact CZ-CG2 4.36Å
149F95.5Very high88.5Confident30 Ų3031.9 Ų31.913%0.13216%0.159CC..EExtended strand (participates in β ladder)trans-118.2158.3179.9-64.9-88.2000111.7F100 A101 K103 L122 V132 R133 C134 A147F100-F149 WeakPolarHBondContact CA-O 3.36Å; F100-F149 WeakPolarHBondContact CB-O 3.36Å; A101-F149 HydrophobicContact CB-CB 4.36Å; A101-F149 PolarHBondContact N-O 3.09Å; A101-F149 PolarHBondContact O-N 3.42Å; K103-F149 HydrophobicContact CB-CD2 4.28Å; K103-F149 HydrophobicContact CB-CE2 3.98Å; K103-F149 HydrophobicContact CD-CE2 4.3Å; L122-F149 HydrophobicContact CD2-CE1 4.45Å; V132-F149 HydrophobicContact CG1-CB 4Å; V132-F149 HydrophobicContact CG1-CD1 4.01Å; V132-F149 HydrophobicContact CG1-CG 4.39Å; R133-F149 CarbonylContact O-C 3.59Å; R133-F149 VanDerWaalsContact O-CA 3.28Å; R133-F149 WeakPolarHBondContact O-CA 3.38Å; C134-F149 HydrophobicContact CB-CD1 3.85Å; C134-F149 HydrophobicContact CB-CE1 3.6Å; C134-F149 HydrophobicContact CB-CZ 4.39Å; A147-F149 HydrophobicContact CB-CD2 4.18Å; A147-F149 HydrophobicContact CB-CE2 3.39Å; A147-F149 HydrophobicContact CB-CZ 3.88Å
150E95Very high89Confident40 Ų4031.2 Ų31.219%0.18716%0.157CC..EExtended strand (participates in β ladder)trans-57144.2165.867.3177.4135.100110.3V132 R133 H135 M152 K212V132-E150 VanDerWaalsContact CA-OE1 3.32Å; V132-E150 WeakPolarHBondContact CA-OE1 3.42Å; V132-E150 HydrophobicContact CG1-CG 3.71Å; R133-E150 HydrophobicContact CB-CB 4.38Å; R133-E150 HydrophobicContact CB-CG 4.15Å; R133-E150 PolarHBondContact N-OE1 2.92Å; R133-E150 PolarHBondContact O-N 2.89Å; H135-E150 PolarHBondContact CD2-N 2.83Å; E150-M152 HydrophobicContact CG-SD 4.28Å; E150-K212 VanDerWaalsContact OE1-CD 3.3Å; E150-K212 WeakPolarHBondContact OE1-CD 3.19Å; E150-K212 IonicContact OE1-NZ 3.74Å; E150-K212 PolarHBondContact OE1-NZ 2.89Å; E150-K212 IonicContact OE2-NZ 2.63Å; E150-K212 PolarHBondContact OE2-NZ 2.94Å
151H95.2Very high89.9Confident37 Ų3729.1 Ų29.117%0.17115%0.15CC..  trans-90.5116.4-178.6177.9-106.3000111.3V99V99-H151 HydrophobicContact CG1-CB 4.1Å; V99-H151 WeakPolarHBondContact O-CB 3.49Å
152M96.3Very high90.7Very high12 Ų1228.6 Ų28.66%0.05915%0.153CC..  trans-96.795.6175.6-59-60.1-64.600109.6V132 E150 G154 G155 L204 A205 D206 K212V132-M152 HydrophobicContact CG2-CG 4.12Å; E150-M152 HydrophobicContact CG-SD 4.28Å; M152-G154 VanDerWaalsContact C-N 3.25Å; M152-G154 PolarHBondContact O-N 3.39Å; M152-G155 PolarHBondContact O-N 3.17Å; M152-G155 VanDerWaalsContact O-N 3.08Å; M152-L204 HydrophobicContact CB-CB 3.66Å; M152-L204 HydrophobicContact CB-CD1 3.96Å; M152-L204 HydrophobicContact CB-CG 4.45Å; M152-L204 HydrophobicContact CG-CB 3.77Å; M152-L204 HydrophobicContact CG-CD1 3.91Å; M152-A205 CarbonylContact C-O 3.53Å; M152-A205 WeakPolarHBondContact CB-O 3.39Å; M152-D206 HydrophobicContact CE-CB 3.94Å; M152-K212 HydrophobicContact CE-CB 4.21Å; M152-K212 HydrophobicContact CE-CD 3.97Å; M152-K212 HydrophobicContact CE-CG 3.85Å; M152-K212 HydrophobicContact SD-CD 3.86Å; M152-K212 HydrophobicContact SD-CG 4.36Å
153N94.3Very high92Very high38 Ų3828.1 Ų28.120%0.20315%0.146CC..THydrogen-bonded Turntrans-71.3-10-169.267.1-26.1000115.5G155 D206 A207 M362 D366N153-G155 VanDerWaalsContact C-N 3.29Å; N153-D206 VanDerWaalsContact OD1-CA 3.29Å; N153-D206 WeakPolarHBondContact OD1-CA 3.36Å; N153-D206 WeakPolarHBondContact OD1-CB 3.22Å; N153-A207 PolarHBondContact OD1-N 3Å; N153-M362 HydrophobicContact CB-CE 4.37Å; N153-D366 PolarHBondContact ND2-O 2.85Å
154G95.7Very high93.2Very high3 Ų329.2 Ų29.23%0.03115%0.146CC..THydrogen-bonded Turntrans-78-14.517000000113.3M152 A205M152-G154 VanDerWaalsContact C-N 3.25Å; M152-G154 PolarHBondContact O-N 3.39Å; G154-A205 CarbonylContact C-O 3.53Å; G154-A205 WeakPolarHBondContact CA-O 3.1Å; G154-A205 PolarHBondContact N-O 3.11Å
155G95.2Very high94Very high15 Ų1530.4 Ų30.416%0.15517%0.168CC..EExtended strand (participates in β ladder)trans70.6-166.1-176.100000113.1M152 N153 L204 A205M152-G155 PolarHBondContact O-N 3.17Å; M152-G155 VanDerWaalsContact O-N 3.08Å; N153-G155 VanDerWaalsContact C-N 3.29Å; G155-L204 CarbonylContact O-C 3.57Å; G155-L204 WeakPolarHBondContact O-CA 3.42Å; G155-A205 PolarHBondContact N-O 3.23Å; G155-A205 PolarHBondContact O-N 2.71Å
156S96.4Very high93.8Very high23 Ų2330.5 Ų30.516%0.16118%0.181CC..EExtended strand (participates in β ladder)trans-78.8154.2-179.866.60000112.8D158 R159 A160 I203S156-D158 PolarHBondContact O-N 3.38Å; S156-R159 WeakPolarHBondContact O-CB 3.36Å; S156-R159 PolarHBondContact O-N 2.93Å; S156-R159 VanDerWaalsContact O-N 3.13Å; S156-R159 WeakPolarHBondContact OG-CB 3.42Å; S156-R159 PolarHBondContact OG-N 2.99Å; S156-A160 PolarHBondContact O-N 2.9Å; S156-I203 CarbonylContact C-O 3.59Å; S156-I203 VanDerWaalsContact CA-O 3.31Å; S156-I203 WeakPolarHBondContact CA-O 3.21Å
157L97.2Very high93.9Very high0 Ų038.7 Ų38.70%021%0.212CC..Hα-helixtrans-66.3-26.6173.3-65.6-173.2000112.5A160 L161 V177 P200 I203 I211 L273 I358L157-A160 PolarHBondContact O-N 3.37Å; L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.36Å; L157-L161 PolarHBondContact O-N 3.21Å; L157-V177 HydrophobicContact CD1-CB 4.35Å; L157-V177 HydrophobicContact CD1-CG1 3.56Å; L157-V177 HydrophobicContact CD1-CG2 3.76Å; L157-P200 PolarHBondContact N-O 3.32Å; L157-I203 HydrophobicContact CD1-CB 3.96Å; L157-I203 HydrophobicContact CD1-CD1 4.5Å; L157-I203 HydrophobicContact CD1-CG2 3.44Å; L157-I203 VanDerWaalsContact CD1-CG2 3.44Å; L157-I203 HydrophobicContact CG-CB 4.14Å; L157-I203 HydrophobicContact CG-CG2 3.84Å; L157-I203 PolarHBondContact N-O 2.97Å; L157-I211 HydrophobicContact CD2-CD1 4.24Å; L157-L273 HydrophobicContact CB-CD2 3.87Å; L157-L273 HydrophobicContact CD1-CD1 3.77Å; L157-I358 HydrophobicContact CD2-CD1 3.84Å
158D95Very high94.1Very high27 Ų2739.1 Ų39.114%0.14422%0.217CC..Hα-helixtrans-60.7-44.6169-177.978.8000111.8S156 L161 S162 P200 F201S156-D158 PolarHBondContact O-N 3.38Å; D158-L161 PolarHBondContact O-N 3.16Å; D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.37Å; D158-S162 PolarHBondContact O-OG 3.41Å; D158-P200 HydrophobicContact CB-CB 3.94Å; D158-P200 PolarHBondContact N-O 3.23Å; D158-F201 HydrophobicContact CB-CD1 3.8Å; D158-F201 HydrophobicContact CB-CD2 4.39Å; D158-F201 HydrophobicContact CB-CE1 3.96Å; D158-F201 HydrophobicContact CB-CG 4.02Å; D158-F201 HydrophobicContact CB-CZ 4.32Å; D158-F201 VanDerWaalsContact CG-CZ 3.45Å; D158-F201 VanDerWaalsContact OD1-CZ 3.22Å; D158-F201 WeakPolarHBondContact OD1-CZ 3.25Å; D158-F201 WeakPolarHBondContact OD2-CE1 3.43Å
159R93.9Very high94.3Very high65 Ų6539.3 Ų39.325%0.24522%0.218CC..Hα-helixtrans-62.6-46.1175.1-175.2-172.9-164.5-170.811.3111.1S156 L161 S162 R163 D363S156-R159 WeakPolarHBondContact O-CB 3.36Å; S156-R159 PolarHBondContact O-N 2.93Å; S156-R159 VanDerWaalsContact O-N 3.13Å; S156-R159 WeakPolarHBondContact OG-CB 3.42Å; S156-R159 PolarHBondContact OG-N 2.99Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 2.91Å; R159-S162 PolarHBondContact O-N 2.88Å; R159-R163 WeakPolarHBondContact O-CG 3.48Å; R159-R163 PolarHBondContact O-N 3.28Å; R159-D363 IonicContact CZ-OD2 2.71Å; R159-D363 IonicContact NH1-OD2 3.97Å; R159-D363 PolarHBondContact NH1-OD2 3.35Å; R159-D363 IonicContact NH2-OD1 3.23Å; R159-D363 IonicContact NH2-OD2 2.62Å; R159-D363 PolarHBondContact NH2-OD2 2.06Å
160A95Very high94.4Very high1 Ų140 Ų401%0.00823%0.226CC..Hα-helixtrans-59-45.3177.200000111.2S156 L157 R163 R164 I358 T361S156-A160 PolarHBondContact O-N 2.9Å; L157-A160 PolarHBondContact O-N 3.37Å; A160-R163 PolarHBondContact O-N 3.13Å; A160-R164 VanDerWaalsContact O-CG 3.25Å; A160-R164 WeakPolarHBondContact O-CG 3.38Å; A160-R164 PolarHBondContact O-N 3.02Å; A160-R164 VanDerWaalsContact O-N 3.16Å; A160-I358 HydrophobicContact CB-CD1 4.43Å; A160-T361 HydrophobicContact CB-CG2 4.34Å
161L95.2Very high94.5Very high4 Ų439.8 Ų39.82%0.02122%0.224CC..Hα-helixtrans-63-44177.1-17169000112.3L157 D158 R159 R163 R164 L273L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.36Å; L157-L161 PolarHBondContact O-N 3.21Å; D158-L161 PolarHBondContact O-N 3.16Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 2.91Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.31Å; L161-R164 WeakPolarHBondContact O-CB 3.42Å; L161-R164 PolarHBondContact O-N 2.98Å; L161-R164 VanDerWaalsContact O-N 3.14Å; L161-L273 HydrophobicContact CD2-CD2 4.47Å
162S93.4Very high94.7Very high77 Ų7740.1 Ų40.154%0.53823%0.23SC..Hα-helixtrans-59.3-44.1176.7-67.40000111.8D158 R159 R164 G165D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.37Å; D158-S162 PolarHBondContact O-OG 3.41Å; R159-S162 PolarHBondContact O-N 2.88Å; S162-R164 PolarHBondContact O-N 3.31Å; S162-G165 PolarHBondContact O-N 3.45Å
163R93.9Very high94.8Very high100 Ų10039.6 Ų39.638%0.37723%0.227SC..Hα-helixtrans-68-21.8177.7-73.2179175.4-150.9-12.1113.9R159 A160 L161 G165 T361 M362 D363R159-R163 WeakPolarHBondContact O-CG 3.48Å; R159-R163 PolarHBondContact O-N 3.28Å; A160-R163 PolarHBondContact O-N 3.13Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.31Å; R163-G165 PolarHBondContact O-N 3.46Å; R163-T361 HydrophobicContact CB-CG2 4.01Å; R163-T361 WeakPolarHBondContact CD-O 3.5Å; R163-T361 PolarHBondContact NH1-O 3.35Å; R163-M362 VanDerWaalsContact NH1-C 3.27Å; R163-M362 PolarHBondContact NH1-O 2.77Å; R163-D363 IonicContact CZ-OD1 3.44Å; R163-D363 IonicContact NH1-OD1 2.85Å; R163-D363 PolarHBondContact NH1-OD1 3.08Å; R163-D363 IonicContact NH2-OD1 3.58Å; R163-D363 PolarHBondContact NH2-OD1 2.89Å; R163-D363 IonicContact NH2-OD2 2.8Å
164R94.1Very high95Very high53 Ų5337.8 Ų37.820%0.222%0.217CC..THydrogen-bonded Turntrans-79.2-1.7172.2-67.5171.364.477.3-0.9113.2A160 L161 S162 R167 G168 T361A160-R164 VanDerWaalsContact O-CG 3.25Å; A160-R164 WeakPolarHBondContact O-CG 3.38Å; A160-R164 PolarHBondContact O-N 3.02Å; A160-R164 VanDerWaalsContact O-N 3.16Å; L161-R164 WeakPolarHBondContact O-CB 3.42Å; L161-R164 PolarHBondContact O-N 2.98Å; L161-R164 VanDerWaalsContact O-N 3.14Å; S162-R164 PolarHBondContact O-N 3.31Å; R164-R167 HydrophobicContact CB-CB 4.34Å; R164-R167 WeakPolarHBondContact CB-O 3.31Å; R164-R167 PolarHBondContact NE-O 3.42Å; R164-R167 WeakPolarHBondContact O-CB 3.33Å; R164-R167 PolarHBondContact O-N 3.14Å; R164-R167 PolarHBondContact O-NE 3.17Å; R164-R167 PolarHBondContact O-NH2 3.09Å; R164-G168 PolarHBondContact NE-O 3.44Å; R164-G168 PolarHBondContact NH2-O 2.68Å; R164-T361 HydrophobicContact CG-CG2 3.86Å
165G90.5Very high95.1Very high67 Ų6737.8 Ų37.869%0.69122%0.218SC*.THydrogen-bonded Turntrans68.138177.700000112.7S162 R163 R167S162-G165 PolarHBondContact O-N 3.45Å; R163-G165 PolarHBondContact O-N 3.46Å; G165-R167 PolarHBondContact O-N 3.43Å
166G82.3Confident95.3Very high40 Ų4037.5 Ų37.541%0.41221%0.212SC..THydrogen-bonded Turntrans76.55.8-178.200000114.4G168 G276G166-G168 PolarHBondContact O-N 3.48Å; G166-G276 WeakPolarHBondContact O-CA 3.43Å
167R92Very high95.4Very high173 Ų17336.4 Ų36.465%0.65321%0.205SC*.  trans-76.1115.1166.9-66.9-176.5-66.8-119.6-0.7109.1R164 G165R164-R167 HydrophobicContact CB-CB 4.34Å; R164-R167 WeakPolarHBondContact CB-O 3.31Å; R164-R167 PolarHBondContact NE-O 3.42Å; R164-R167 WeakPolarHBondContact O-CB 3.33Å; R164-R167 PolarHBondContact O-N 3.14Å; R164-R167 PolarHBondContact O-NE 3.17Å; R164-R167 PolarHBondContact O-NH2 3.09Å; G165-R167 PolarHBondContact O-N 3.43Å
168G96.1Very high95.5Very high15 Ų1536.4 Ų36.416%0.15521%0.205CC..PPolyproline II helixtrans-53.4168.1174.500000114.6R164 G166 L273 Y274R164-G168 PolarHBondContact NE-O 3.44Å; R164-G168 PolarHBondContact NH2-O 2.68Å; G166-G168 PolarHBondContact O-N 3.48Å; G168-L273 CarbonylContact C-O 3.5Å; G168-L273 WeakPolarHBondContact CA-O 3.18Å; G168-Y274 WeakPolarHBondContact CA-O 3.37Å
169L97.8Very high95.7Very high5 Ų535.6 Ų35.63%0.02620%0.201CC..PPolyproline II helixtrans-78.4142.3176.4-57.5-166.8000110.2L174 L273 V357L169-L174 HydrophobicContact CB-CD2 3.81Å; L169-L174 HydrophobicContact CB-CG 3.88Å; L169-L174 HydrophobicContact CD1-CD2 4.31Å; L169-L174 HydrophobicContact CG-CD2 4.44Å; L169-L174 WeakPolarHBondContact O-CD1 3.38Å; L169-L273 HydrophobicContact CD1-CB 4.27Å; L169-L273 HydrophobicContact CD1-CD2 4.17Å; L169-L273 HydrophobicContact CG-CB 4.33Å; L169-L273 PolarHBondContact N-O 2.89Å; L169-V357 HydrophobicContact CD2-CG1 3.75Å
170P97.4Very high95.9Very high46 Ų4632.6 Ų32.630%0.29919%0.19SC..PPolyproline II helixtrans-66.4150.3172.931.1-36.2000110.5A173 L174 V353 V357P170-A173 HydrophobicContact CG-CB 4.04Å; P170-A173 WeakPolarHBondContact O-CB 3.3Å; P170-A173 PolarHBondContact O-N 2.87Å; P170-L174 PolarHBondContact O-N 3.4Å; P170-L174 VanDerWaalsContact O-N 3.08Å; P170-V353 HydrophobicContact CB-CG1 4.17Å; P170-V353 HydrophobicContact CG-CG1 3.36Å; P170-V357 HydrophobicContact CG-CG2 4.16Å
171E98.4Very high96.1Very high35 Ų3532.5 Ų32.516%0.16419%0.19CC..Hα-helixtrans-56.4-40.4-175-65.5-164-177.700115.4A173 L174 A175 A311 S312 L315 F341E171-A173 PolarHBondContact O-N 3.19Å; E171-L174 WeakPolarHBondContact O-CB 3.45Å; E171-L174 PolarHBondContact O-N 2.85Å; E171-L174 VanDerWaalsContact O-N 3.08Å; E171-A175 WeakPolarHBondContact O-CB 3.38Å; E171-A175 PolarHBondContact O-N 3.38Å; E171-A311 VanDerWaalsContact OE1-CA 3.26Å; E171-A311 WeakPolarHBondContact OE1-CA 3.48Å; E171-S312 VanDerWaalsContact CD-OG 3.32Å; E171-S312 PolarHBondContact OE1-N 3.36Å; E171-S312 PolarHBondContact OE1-OG 2.86Å; E171-S312 WeakPolarHBondContact OE2-CB 3.31Å; E171-S312 PolarHBondContact OE2-OG 3.33Å; E171-L315 HydrophobicContact CG-CD2 4.09Å; E171-L315 WeakPolarHBondContact OE1-CD2 3.4Å; E171-F341 HydrophobicContact CB-CE2 4.3Å
172P98.4Very high96.3Very high44 Ų4432.3 Ų32.329%0.28619%0.189SC..Hα-helixtrans-57.1-39.2175.9-26.935.7000112.7E176 E349 S350 V353P172-E176 PolarHBondContact O-N 3.31Å; P172-E349 HydrophobicContact CB-CG 4.46Å; P172-S350 WeakPolarHBondContact CA-OG 3.38Å; P172-S350 WeakPolarHBondContact O-CA 3.14Å; P172-S350 WeakPolarHBondContact O-CB 3.48Å; P172-S350 PolarHBondContact O-OG 2.88Å; P172-V353 HydrophobicContact CB-CB 4.17Å; P172-V353 HydrophobicContact CB-CG1 4.4Å; P172-V353 HydrophobicContact CB-CG2 4.2Å
173A98.5Very high96.5Very high0 Ų029.5 Ų29.50%017%0.17CC..Hα-helixtrans-69.9-40.8175.700000111.9P170 E171 A175 E176 V177 V353 L354P170-A173 HydrophobicContact CG-CB 4.04Å; P170-A173 WeakPolarHBondContact O-CB 3.3Å; P170-A173 PolarHBondContact O-N 2.87Å; E171-A173 PolarHBondContact O-N 3.19Å; A173-A175 VanDerWaalsContact C-N 3.33Å; A173-A175 PolarHBondContact O-N 3.08Å; A173-E176 PolarHBondContact O-N 3.5Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.79Å; A173-V353 HydrophobicContact CB-CG1 4.2Å; A173-L354 HydrophobicContact CB-CB 4Å; A173-L354 HydrophobicContact CB-CD1 4.05Å
174L98.6Very high96.7Very high0 Ų024.8 Ų24.80%015%0.152CC..Hα-helixtrans-61.8-40175.8-70.1170.8000112.4L169 P170 E171 E176 V177 A178 L273 Y274 F341L169-L174 HydrophobicContact CB-CD2 3.81Å; L169-L174 HydrophobicContact CB-CG 3.88Å; L169-L174 HydrophobicContact CD1-CD2 4.31Å; L169-L174 HydrophobicContact CG-CD2 4.44Å; L169-L174 WeakPolarHBondContact O-CD1 3.38Å; P170-L174 PolarHBondContact O-N 3.4Å; P170-L174 VanDerWaalsContact O-N 3.08Å; E171-L174 WeakPolarHBondContact O-CB 3.45Å; E171-L174 PolarHBondContact O-N 2.85Å; E171-L174 VanDerWaalsContact O-N 3.08Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 2.92Å; L174-V177 PolarHBondContact O-N 2.99Å; L174-A178 VanDerWaalsContact O-CB 3.29Å; L174-A178 WeakPolarHBondContact O-CB 3.08Å; L174-A178 PolarHBondContact O-N 3.35Å; L174-L273 HydrophobicContact CD2-CB 3.43Å; L174-L273 VanDerWaalsContact CD2-CB 3.43Å; L174-L273 HydrophobicContact CD2-CD1 4.42Å; L174-Y274 HydrophobicContact CD1-CD2 3.78Å; L174-Y274 HydrophobicContact CD1-CG 4.17Å; L174-F341 HydrophobicContact CB-CE1 4.43Å; L174-F341 HydrophobicContact CB-CZ 3.85Å
175A98.7Very high97Very high4 Ų422.2 Ų22.23%0.03314%0.143CC..Hα-helixtrans-62.5-40.5177.500000111.5E171 A173 A179 F341 R345E171-A175 WeakPolarHBondContact O-CB 3.38Å; E171-A175 PolarHBondContact O-N 3.38Å; A173-A175 VanDerWaalsContact C-N 3.33Å; A173-A175 PolarHBondContact O-N 3.08Å; A175-A179 VanDerWaalsContact O-CB 3.3Å; A175-A179 WeakPolarHBondContact O-CB 3.27Å; A175-A179 PolarHBondContact O-N 3.23Å; A175-F341 HydrophobicContact CB-CE1 4.13Å; A175-F341 HydrophobicContact CB-CE2 4.29Å; A175-F341 HydrophobicContact CB-CZ 3.99Å; A175-F341 WeakPolarHBondContact CB-O 3.27Å; A175-R345 HydrophobicContact CB-CB 3.99Å; A175-R345 HydrophobicContact CB-CG 4.45Å
176E98.5Very high97.4Very high9 Ų925.8 Ų25.84%0.04214%0.135CC..Hα-helixtrans-68.7-42.2174.9-168.263.2-171.300112.2P172 A173 L174 A178 A179 A180 R345 R351 L354P172-E176 PolarHBondContact O-N 3.31Å; A173-E176 PolarHBondContact O-N 3.5Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 2.92Å; E176-A178 PolarHBondContact O-N 3.39Å; E176-A179 PolarHBondContact O-N 3.34Å; E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.12Å; E176-R345 IonicContact OE1-NH2 2.89Å; E176-R345 IonicContact OE2-CZ 2.74Å; E176-R345 VanDerWaalsContact OE2-CZ 3.23Å; E176-R345 IonicContact OE2-NE 3.8Å; E176-R345 PolarHBondContact OE2-NE 3.45Å; E176-R345 IonicContact OE2-NH2 3.33Å; E176-R345 PolarHBondContact OE2-NH2 2.64Å; E176-R351 HydrophobicContact CG-CG 3.97Å; E176-R351 WeakPolarHBondContact OE1-CG 3.34Å; E176-R351 IonicContact OE1-CZ 2.7Å; E176-R351 IonicContact OE1-NE 2.68Å; E176-R351 PolarHBondContact OE1-NE 3.47Å; E176-R351 IonicContact OE1-NH2 2.83Å; E176-R351 PolarHBondContact OE1-NH2 3.46Å; E176-L354 HydrophobicContact CB-CD2 3.93Å; E176-L354 HydrophobicContact CG-CD2 3.73Å
177V98.8Very high98.1Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-60.2-46.9175170.40000110.7L157 A173 L174 A180 C181 I211 L273 L354L157-V177 HydrophobicContact CD1-CB 4.35Å; L157-V177 HydrophobicContact CD1-CG1 3.56Å; L157-V177 HydrophobicContact CD1-CG2 3.76Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.79Å; L174-V177 PolarHBondContact O-N 2.99Å; V177-A180 PolarHBondContact O-N 2.8Å; V177-C181 WeakPolarHBondContact O-CB 3.34Å; V177-C181 PolarHBondContact O-N 3.33Å; V177-C181 PolarHBondContact O-SG 3.06Å; V177-I211 HydrophobicContact CG2-CD1 4.14Å; V177-I211 HydrophobicContact CG2-CG1 4.11Å; V177-L273 HydrophobicContact CG1-CD1 4.15Å; V177-L354 HydrophobicContact CG2-CD1 3.95Å; V177-L354 HydrophobicContact CG2-CD2 4.29Å
178A98.9Very high98.4Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-61.6-44.2177.800000111.3L174 E176 C181 L182 V270 F318 F341 V342L174-A178 VanDerWaalsContact O-CB 3.29Å; L174-A178 WeakPolarHBondContact O-CB 3.08Å; L174-A178 PolarHBondContact O-N 3.35Å; E176-A178 PolarHBondContact O-N 3.39Å; A178-C181 PolarHBondContact O-N 2.82Å; A178-L182 WeakPolarHBondContact O-CB 3.38Å; A178-L182 WeakPolarHBondContact O-CD1 3.33Å; A178-L182 WeakPolarHBondContact O-CG 3.26Å; A178-L182 PolarHBondContact O-N 3.29Å; A178-V270 HydrophobicContact CB-CG2 4.2Å; A178-F318 HydrophobicContact CB-CE1 4.22Å; A178-F318 HydrophobicContact CB-CZ 3.95Å; A178-F341 HydrophobicContact CB-CE1 4.27Å; A178-V342 HydrophobicContact CB-CG2 4.1Å
179A98.8Very high98.5Very high9 Ų916.2 Ų16.27%0.0749%0.086CC..Hα-helixtrans-59.4-47.8177.100000112.4A175 E176 L182 A183 V342A175-A179 VanDerWaalsContact O-CB 3.3Å; A175-A179 WeakPolarHBondContact O-CB 3.27Å; A175-A179 PolarHBondContact O-N 3.23Å; E176-A179 PolarHBondContact O-N 3.34Å; A179-L182 PolarHBondContact O-N 3.05Å; A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 3.01Å; A179-V342 HydrophobicContact CB-CG1 3.81Å
180A98.8Very high98.4Very high2 Ų220.4 Ų20.42%0.01712%0.116CC..Hα-helixtrans-62.6-45.4177.900000111.9H130 E176 V177 L182 A183 A184 I211H130-A180 HydrophobicContact CB-CB 4.5Å; H130-A180 WeakPolarHBondContact CB-O 3.35Å; H130-A180 WeakPolarHBondContact ND1-CB 3.38Å; E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.12Å; V177-A180 PolarHBondContact O-N 2.8Å; A180-L182 PolarHBondContact O-N 2.74Å; A180-A183 PolarHBondContact O-N 3.35Å; A180-A184 PolarHBondContact O-N 3.22Å; A180-I211 HydrophobicContact CB-CB 3.62Å; A180-I211 HydrophobicContact CB-CG2 3.8Å
181C98.9Very high98.4Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-63.1-42.2177.6-66.90000111.7V177 A178 A184 L185 I213 L266V177-C181 WeakPolarHBondContact O-CB 3.34Å; V177-C181 PolarHBondContact O-N 3.33Å; V177-C181 PolarHBondContact O-SG 3.06Å; A178-C181 PolarHBondContact O-N 2.82Å; C181-A184 WeakPolarHBondContact O-CB 3.32Å; C181-A184 PolarHBondContact O-N 2.8Å; C181-L185 WeakPolarHBondContact O-CB 3.49Å; C181-L185 VanDerWaalsContact O-CG 3.28Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 2.71Å; C181-I213 HydrophobicContact CB-CD1 4.3Å; C181-L266 HydrophobicContact CB-CD1 3.66Å; C181-L266 HydrophobicContact CB-CD2 4.47Å
182L98.9Very high98.2Very high0 Ų021.8 Ų21.80%012%0.118CC..Hα-helixtrans-65.1-39176.4-72.8167.2000112.3A178 A179 A180 L185 R186 L266 F318 V333 L336 L337 V342A178-L182 WeakPolarHBondContact O-CB 3.38Å; A178-L182 WeakPolarHBondContact O-CD1 3.33Å; A178-L182 WeakPolarHBondContact O-CG 3.26Å; A178-L182 PolarHBondContact O-N 3.29Å; A179-L182 PolarHBondContact O-N 3.05Å; A180-L182 PolarHBondContact O-N 2.74Å; L182-L185 PolarHBondContact O-N 2.99Å; L182-R186 WeakPolarHBondContact O-CB 3.49Å; L182-R186 PolarHBondContact O-N 3.31Å; L182-L266 HydrophobicContact CD2-CD2 3.58Å; L182-L266 HydrophobicContact CG-CD2 3.79Å; L182-F318 HydrophobicContact CD1-CE2 3.92Å; L182-F318 HydrophobicContact CD1-CZ 4.05Å; L182-V333 HydrophobicContact CB-CG1 4.37Å; L182-V333 HydrophobicContact CD2-CB 4.47Å; L182-V333 HydrophobicContact CD2-CG1 4.02Å; L182-V333 VanDerWaalsContact O-CG1 3.27Å; L182-V333 WeakPolarHBondContact O-CG1 3.47Å; L182-L336 HydrophobicContact CD1-CB 3.84Å; L182-L336 HydrophobicContact CD2-CB 3.61Å; L182-L336 HydrophobicContact CD2-CD1 3.93Å; L182-L336 HydrophobicContact CD2-CG 4.44Å; L182-L336 HydrophobicContact CG-CB 4.4Å; L182-L337 HydrophobicContact CB-CD2 3.57Å; L182-L337 HydrophobicContact CB-CG 3.92Å; L182-L337 HydrophobicContact CD1-CD2 4.36Å; L182-V342 HydrophobicContact CD1-CG1 4.36Å; L182-V342 HydrophobicContact CD1-CG2 3.89Å
183A98.7Very high98.2Very high18 Ų1819.7 Ų19.715%0.14911%0.105CC..Hα-helixtrans-62.7-44.1174.500000111.5A179 A180 R186 G187A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 3.01Å; A180-A183 PolarHBondContact O-N 3.35Å; A183-R186 PolarHBondContact O-N 3.02Å; A183-G187 PolarHBondContact O-N 3.28Å; A183-G187 VanDerWaalsContact O-N 3.13Å
184A98.8Very high98.1Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-59.9-52.8172.700000111.6H130 V131 A180 C181 R186 G187 L188 I213H130-A184 HydrophobicContact CB-CB 3.81Å; H130-A184 WeakPolarHBondContact O-CB 3.45Å; V131-A184 HydrophobicContact CG2-CB 4.1Å; A180-A184 PolarHBondContact O-N 3.22Å; C181-A184 WeakPolarHBondContact O-CB 3.32Å; C181-A184 PolarHBondContact O-N 2.8Å; A184-R186 VanDerWaalsContact C-N 3.31Å; A184-R186 PolarHBondContact O-N 3.44Å; A184-G187 CarbonylContact O-C 3.44Å; A184-G187 WeakPolarHBondContact O-CA 3.25Å; A184-G187 PolarHBondContact O-N 2.85Å; A184-L188 WeakPolarHBondContact O-CG 2.83Å; A184-L188 PolarHBondContact O-N 2.82Å; A184-I213 HydrophobicContact CB-CD1 3.61Å; A184-I213 HydrophobicContact CB-CG1 4.14Å
185L98.8Very high98Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-58.3-40.4179.8-72.2179.5000112.1C181 L182 G187 L188 H189 L198 D262 L266 V333C181-L185 WeakPolarHBondContact O-CB 3.49Å; C181-L185 VanDerWaalsContact O-CG 3.28Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 2.71Å; L182-L185 PolarHBondContact O-N 2.99Å; L185-G187 VanDerWaalsContact C-N 3.3Å; L185-G187 PolarHBondContact O-N 2.76Å; L185-L188 HydrophobicContact CD2-CD1 4.23Å; L185-L188 PolarHBondContact O-N 3.1Å; L185-H189 VanDerWaalsContact O-CB 3.24Å; L185-H189 WeakPolarHBondContact O-CB 3.5Å; L185-H189 PolarHBondContact O-CD2 2.62Å; L185-H189 PolarHBondContact O-N 3.34Å; L185-L198 HydrophobicContact CD1-CD2 4.11Å; L185-L198 HydrophobicContact CD2-CD2 4.35Å; L185-L198 HydrophobicContact CG-CD2 4.45Å; L185-D262 HydrophobicContact CD1-CB 4.2Å; L185-D262 HydrophobicContact CD2-CB 3.72Å; L185-L266 HydrophobicContact CD1-CD2 4.14Å; L185-V333 HydrophobicContact CB-CG1 4.33Å; L185-V333 HydrophobicContact CB-CG2 3.97Å; L185-V333 HydrophobicContact CD1-CG2 4.42Å
186R98.6Very high97.8Very high142 Ų14219.6 Ų19.654%0.53610%0.103SC..Hα-helixtrans-57.9-46.1173.3179.7178.462.3180-0110.7L182 A183 A184 S190 V333 L337L182-R186 WeakPolarHBondContact O-CB 3.49Å; L182-R186 PolarHBondContact O-N 3.31Å; A183-R186 PolarHBondContact O-N 3.02Å; A184-R186 VanDerWaalsContact C-N 3.31Å; A184-R186 PolarHBondContact O-N 3.44Å; R186-S190 VanDerWaalsContact O-CB 3.3Å; R186-S190 WeakPolarHBondContact O-CB 3.45Å; R186-S190 PolarHBondContact O-N 3.29Å; R186-S190 PolarHBondContact O-OG 3.33Å; R186-V333 HydrophobicContact CB-CG1 3.84Å; R186-L337 HydrophobicContact CB-CD1 4.31Å
187G98.5Very high97.6Very high10 Ų1020.7 Ų20.710%0.10311%0.109CC..Hα-helixtrans-57.9-53.2174.800000112.3A183 A184 L185 H189 S190 R191A183-G187 PolarHBondContact O-N 3.28Å; A183-G187 VanDerWaalsContact O-N 3.13Å; A184-G187 CarbonylContact O-C 3.44Å; A184-G187 WeakPolarHBondContact O-CA 3.25Å; A184-G187 PolarHBondContact O-N 2.85Å; L185-G187 VanDerWaalsContact C-N 3.3Å; L185-G187 PolarHBondContact O-N 2.76Å; G187-H189 PolarHBondContact O-N 2.97Å; G187-S190 PolarHBondContact O-N 2.95Å; G187-S190 PolarHBondContact O-OG 3.5Å; G187-R191 WeakPolarHBondContact O-CG 3.23Å; G187-R191 PolarHBondContact O-N 2.96Å
188L98.5Very high97.5Very high0 Ų020.7 Ų20.70%011%0.109CC..Hα-helixtrans-56.7-52.8178.4-63-179.6000111.5V125 L128 V131 A184 L185 S190 R191 G192 V193 H195 F216V125-L188 HydrophobicContact CB-CD2 3.83Å; V125-L188 HydrophobicContact CG1-CD2 3.25Å; L128-L188 HydrophobicContact CD1-CD2 3.8Å; L128-L188 HydrophobicContact CD1-CG 4.43Å; V131-L188 HydrophobicContact CG2-CD2 4.26Å; A184-L188 WeakPolarHBondContact O-CG 2.83Å; A184-L188 PolarHBondContact O-N 2.82Å; L185-L188 HydrophobicContact CD2-CD1 4.23Å; L185-L188 PolarHBondContact O-N 3.1Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 2.83Å; L188-R191 CarbonylContact O-C 3.47Å; L188-R191 WeakPolarHBondContact O-CA 3.43Å; L188-R191 PolarHBondContact O-N 3.34Å; L188-G192 PolarHBondContact O-N 3.49Å; L188-V193 CarbonylContact C-O 3.56Å; L188-V193 HydrophobicContact CB-CB 4.33Å; L188-V193 HydrophobicContact CD2-CG1 4.3Å; L188-V193 PolarHBondContact O-N 3.41Å; L188-H195 HydrophobicContact CD1-CB 4.24Å; L188-F216 HydrophobicContact CD1-CE1 3.87Å; L188-F216 HydrophobicContact CD1-CZ 4.26Å; L188-F216 HydrophobicContact CD2-CE1 3.57Å; L188-F216 HydrophobicContact CD2-CZ 3.94Å; L188-F216 HydrophobicContact CG-CE1 4.39Å
189H97.3Very high97.4Very high16 Ų1620.8 Ų20.87%0.07411%0.109CC..Hα-helixtrans-64-34.5-175.5-68.8-175.2000112.2L185 G187 R191 G192 V193 R259 D262L185-H189 VanDerWaalsContact O-CB 3.24Å; L185-H189 WeakPolarHBondContact O-CB 3.5Å; L185-H189 PolarHBondContact O-CD2 2.62Å; L185-H189 PolarHBondContact O-N 3.34Å; G187-H189 PolarHBondContact O-N 2.97Å; H189-R191 VanDerWaalsContact C-N 3.27Å; H189-R191 PolarHBondContact O-N 2.84Å; H189-G192 PolarHBondContact O-N 3.13Å; H189-V193 PolarHBondContact CD2-O 2.97Å; H189-V193 PolarHBondContact N-O 2.87Å; H189-R259 HydrophobicContact CB-CG 4.16Å; H189-R259 VanDerWaalsContact CE1-CB 3.5Å; H189-R259 WeakPolarHBondContact CE1-CB 3.46Å; H189-R259 PolarHBondContact CE1-O 3.32Å; H189-R259 PolarHBondContact O-NH2 3.47Å; H189-R259 VanDerWaalsContact O-NH2 3.12Å; H189-D262 IonicContact CD2-OD2 3.51Å; H189-D262 IonicContact CE1-OD2 2.84Å; H189-D262 IonicContact NE2-OD2 2.72Å; H189-D262 PolarHBondContact NE2-OD2 3.23Å
190S96.3Very high97.3Very high93 Ų9320.3 Ų20.365%0.6511%0.105SC*.Hα-helixtrans-66.2-28.9174.677.30000112.9R186 G187 L188 G192R186-S190 VanDerWaalsContact O-CB 3.3Å; R186-S190 WeakPolarHBondContact O-CB 3.45Å; R186-S190 PolarHBondContact O-N 3.29Å; R186-S190 PolarHBondContact O-OG 3.33Å; G187-S190 PolarHBondContact O-N 2.95Å; G187-S190 PolarHBondContact O-OG 3.5Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 2.83Å; S190-G192 VanDerWaalsContact C-N 3.33Å
191R96.2Very high97.1Very high96 Ų9624.3 Ų24.336%0.36212%0.122SC..THydrogen-bonded Turntrans-94.912.2176.3-58.5-170-173.6-178.32.2112.9R124 E126 L128 G187 L188 H189 V193R124-R191 WeakPolarHBondContact O-CD 3.4Å; R124-R191 PolarHBondContact O-NH1 2.89Å; E126-R191 PolarHBondContact O-NH1 3.4Å; E126-R191 PolarHBondContact O-NH2 3.02Å; L128-R191 VanDerWaalsContact CD2-CZ 3.44Å; G187-R191 WeakPolarHBondContact O-CG 3.23Å; G187-R191 PolarHBondContact O-N 2.96Å; L188-R191 CarbonylContact O-C 3.47Å; L188-R191 WeakPolarHBondContact O-CA 3.43Å; L188-R191 PolarHBondContact O-N 3.34Å; H189-R191 VanDerWaalsContact C-N 3.27Å; H189-R191 PolarHBondContact O-N 2.84Å; R191-V193 VanDerWaalsContact C-N 3.28Å; R191-V193 PolarHBondContact O-N 3Å
192G95.1Very high97Very high15 Ų1525.4 Ų25.416%0.15513%0.127CC..THydrogen-bonded Turntrans70.421.7178.300000113.8L188 H189 S190 I221 I222L188-G192 PolarHBondContact O-N 3.49Å; H189-G192 PolarHBondContact O-N 3.13Å; S190-G192 VanDerWaalsContact C-N 3.33Å; G192-I221 CarbonylContact O-C 3.59Å; G192-I221 WeakPolarHBondContact O-CA 3.27Å; G192-I222 PolarHBondContact O-N 3.22Å
193V97.3Very high97Very high0 Ų025.4 Ų25.40%013%0.127CC..EExtended strand (participates in β ladder)trans-104.6139.7177.5178.20000109.6V121 R124 V125 L188 H189 R191 A219 K220 I221V121-V193 HydrophobicContact CG1-CG1 3.83Å; R124-V193 HydrophobicContact CB-CG2 3.95Å; V125-V193 HydrophobicContact CG1-CB 4.19Å; V125-V193 HydrophobicContact CG1-CG1 4.02Å; V125-V193 HydrophobicContact CG1-CG2 3.99Å; L188-V193 CarbonylContact C-O 3.56Å; L188-V193 HydrophobicContact CB-CB 4.33Å; L188-V193 HydrophobicContact CD2-CG1 4.3Å; L188-V193 PolarHBondContact O-N 3.41Å; H189-V193 PolarHBondContact CD2-O 2.97Å; H189-V193 PolarHBondContact N-O 2.87Å; R191-V193 VanDerWaalsContact C-N 3.28Å; R191-V193 PolarHBondContact O-N 3Å; V193-A219 HydrophobicContact CG1-CB 4.41Å; V193-K220 WeakPolarHBondContact CA-O 3.44Å; V193-I221 HydrophobicContact CG2-CG1 4.37Å
194V96.4Very high97Very high0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-119.4142167.2-71.80000109.2L196 A219 K220 I222 A258 R259 D262V194-L196 HydrophobicContact CB-CD2 4.21Å; V194-L196 HydrophobicContact CB-CG 4.26Å; V194-L196 HydrophobicContact CG2-CD1 4.07Å; V194-L196 HydrophobicContact CG2-CD2 4.03Å; V194-L196 HydrophobicContact CG2-CG 3.88Å; V194-A219 CarbonylContact O-C 3.46Å; V194-A219 VanDerWaalsContact O-CA 3.23Å; V194-A219 WeakPolarHBondContact O-CA 3.34Å; V194-A219 VanDerWaalsContact O-CB 3.31Å; V194-A219 WeakPolarHBondContact O-CB 3.27Å; V194-K220 HydrophobicContact CG2-CB 4.11Å; V194-K220 WeakPolarHBondContact CG2-O 3.3Å; V194-K220 PolarHBondContact N-O 3.15Å; V194-K220 PolarHBondContact O-N 2.83Å; V194-I222 HydrophobicContact CG1-CD1 3.68Å; V194-I222 HydrophobicContact CG1-CG1 4.26Å; V194-I222 HydrophobicContact CG2-CG1 4.42Å; V194-A258 HydrophobicContact CG1-CB 3.95Å; V194-A258 HydrophobicContact CG2-CB 4.24Å; V194-R259 HydrophobicContact CG1-CG 3.92Å; V194-D262 WeakPolarHBondContact CA-OD2 3.42Å
195H97Very high97Very high0 Ų026.1 Ų26.10%013%0.129CC..  trans-81.8-44.6-172.7-168.3-78.3000112.3L188 H197 L198 I213 C214 D215 F216 A219 D262L188-H195 HydrophobicContact CD1-CB 4.24Å; H195-H197 PolarHBondContact ND1-N 2.87Å; H195-H197 PolarHBondContact O-N 2.87Å; H195-L198 PolarHBondContact ND1-N 3.35Å; H195-L198 VanDerWaalsContact ND1-N 3.17Å; H195-I213 VanDerWaalsContact CD2-CG2 3.43Å; H195-I213 WeakPolarHBondContact CD2-CG2 3.31Å; H195-I213 WeakPolarHBondContact NE2-CG2 3.47Å; H195-C214 PolarHBondContact CE1-O 3.4Å; H195-C214 PolarHBondContact NE2-O 3.01Å; H195-D215 PolarHBondContact CE1-O 3.39Å; H195-D215 PolarHBondContact NE2-O 2.89Å; H195-D215 VanDerWaalsContact NE2-O 3.1Å; H195-F216 AromaticContact CD2-CE1 3.69Å; H195-F216 AromaticContact CD2-CZ 3.97Å; H195-A219 WeakPolarHBondContact O-CA 3.42Å; H195-D262 PolarHBondContact N-OD1 3.4Å; H195-D262 PolarHBondContact N-OD2 3.41Å
196L94.7Very high96.9Very high2 Ų227.5 Ų27.51%0.0114%0.136CC..SBendtrans61.6-11.3179.4-54.2179.9000116.5V194 K220 R246 A261 D262V194-L196 HydrophobicContact CB-CD2 4.21Å; V194-L196 HydrophobicContact CB-CG 4.26Å; V194-L196 HydrophobicContact CG2-CD1 4.07Å; V194-L196 HydrophobicContact CG2-CD2 4.03Å; V194-L196 HydrophobicContact CG2-CG 3.88Å; L196-K220 HydrophobicContact CD1-CB 4.31Å; L196-K220 HydrophobicContact CD1-CG 3.75Å; L196-R246 PolarHBondContact O-NH1 3.39Å; L196-A261 HydrophobicContact CD2-CB 4.26Å; L196-D262 PolarHBondContact N-OD1 2.72Å
197H94.6Very high96.7Very high32 Ų3221.9 Ų21.915%0.14812%0.12CC..  trans-127.833.4177.4-157.4172.3000114.5H195 N199 H202 D218 G237 S238H195-H197 PolarHBondContact ND1-N 2.87Å; H195-H197 PolarHBondContact O-N 2.87Å; H197-N199 PolarHBondContact CD2-ND2 3.02Å; H197-N199 PolarHBondContact NE2-ND2 3.17Å; H197-N199 PolarHBondContact O-N 3.34Å; H197-H202 AromaticContact CD2-CE1 3.75Å; H197-H202 AromaticContact CD2-ND1 3.8Å; H197-H202 AromaticContact CE1-CE1 3.51Å; H197-H202 AromaticContact CG-CE1 3.57Å; H197-H202 AromaticContact CG-ND1 3.65Å; H197-H202 AromaticContact ND1-CE1 3.4Å; H197-H202 PolarHBondContact ND1-CE1 3.3Å; H197-H202 AromaticContact ND1-ND1 3.96Å; H197-H202 AromaticContact NE2-CE1 3.7Å; H197-H202 PolarHBondContact O-ND1 2.81Å; H197-D218 HydrophobicContact CB-CB 4.03Å; H197-D218 IonicContact CE1-OD2 3.58Å; H197-D218 IonicContact CG-OD2 3.4Å; H197-D218 IonicContact ND1-OD2 3.65Å; H197-D218 PolarHBondContact ND1-OD2 3.3Å; H197-D218 VanDerWaalsContact ND1-OD2 3.11Å; H197-G237 VanDerWaalsContact CD2-CA 3.45Å; H197-G237 WeakPolarHBondContact CD2-CA 3.35Å; H197-S238 PolarHBondContact CD2-N 3.31Å; H197-S238 PolarHBondContact NE2-N 3.16Å; H197-S238 PolarHBondContact NE2-OG 3.36Å
198L97.2Very high96.5Very high0 Ų026.5 Ų26.50%014%0.142CC..  trans-73.5122.5179.4-176.961.6000111L185 H195 I203 I213 S265 L266L185-L198 HydrophobicContact CD1-CD2 4.11Å; L185-L198 HydrophobicContact CD2-CD2 4.35Å; L185-L198 HydrophobicContact CG-CD2 4.45Å; H195-L198 PolarHBondContact ND1-N 3.35Å; H195-L198 VanDerWaalsContact ND1-N 3.17Å; L198-I203 HydrophobicContact CD1-CD1 4.06Å; L198-I203 HydrophobicContact CD1-CG1 3.82Å; L198-I213 HydrophobicContact CD1-CD1 3.67Å; L198-I213 HydrophobicContact CD1-CG1 3.82Å; L198-I213 HydrophobicContact CD1-CG2 3.92Å; L198-I213 HydrophobicContact CD2-CD1 4.25Å; L198-S265 WeakPolarHBondContact O-CB 3.34Å; L198-L266 HydrophobicContact CD2-CB 3.99Å; L198-L266 HydrophobicContact CD2-CD1 4.27Å
199N96.3Very high96.4Very high1 Ų126.9 Ų26.91%0.00515%0.147CC..SBendtrans-161174176.965.746.4000110.4H197 F201 H202 I203 Y241 T269H197-N199 PolarHBondContact CD2-ND2 3.02Å; H197-N199 PolarHBondContact NE2-ND2 3.17Å; H197-N199 PolarHBondContact O-N 3.34Å; N199-F201 PolarHBondContact O-N 3.1Å; N199-F201 VanDerWaalsContact O-N 3.15Å; N199-F201 WeakPolarHBondContact OD1-CA 3.44Å; N199-F201 WeakPolarHBondContact OD1-CB 3.49Å; N199-F201 WeakPolarHBondContact OD1-CD2 3.23Å; N199-F201 PolarHBondContact OD1-N 3.5Å; N199-H202 PolarHBondContact O-N 3.11Å; N199-H202 PolarHBondContact OD1-N 3.4Å; N199-I203 PolarHBondContact O-N 2.88Å; N199-Y241 HydrophobicContact CB-CD1 3.72Å; N199-Y241 HydrophobicContact CB-CD2 3.99Å; N199-Y241 HydrophobicContact CB-CE1 3.66Å; N199-Y241 HydrophobicContact CB-CE2 3.91Å; N199-Y241 HydrophobicContact CB-CG 3.88Å; N199-T269 WeakPolarHBondContact CA-OG1 3.33Å
200P96.6Very high96.4Very high0 Ų029.4 Ų29.40%016%0.161CC..G310 helixtrans-57.6-24.2179.1-29.837.8000116.7L157 D158 H202 T269 L273L157-P200 PolarHBondContact N-O 3.32Å; D158-P200 HydrophobicContact CB-CB 3.94Å; D158-P200 PolarHBondContact N-O 3.23Å; P200-H202 VanDerWaalsContact C-N 3.26Å; P200-T269 HydrophobicContact CG-CG2 3.99Å; P200-L273 HydrophobicContact CB-CD2 4.09Å; P200-L273 HydrophobicContact CG-CD2 4.08Å; P200-L273 HydrophobicContact CG-CG 4.14Å
201F95.2Very high96.5Very high85 Ų8525.1 Ų25.137%0.37313%0.13SC..G310 helixtrans-70.8-28.3175.7-58.7-92.8000111.4D158 N199D158-F201 HydrophobicContact CB-CD1 3.8Å; D158-F201 HydrophobicContact CB-CD2 4.39Å; D158-F201 HydrophobicContact CB-CE1 3.96Å; D158-F201 HydrophobicContact CB-CG 4.02Å; D158-F201 HydrophobicContact CB-CZ 4.32Å; D158-F201 VanDerWaalsContact CG-CZ 3.45Å; D158-F201 VanDerWaalsContact OD1-CZ 3.22Å; D158-F201 WeakPolarHBondContact OD1-CZ 3.25Å; D158-F201 WeakPolarHBondContact OD2-CE1 3.43Å; N199-F201 PolarHBondContact O-N 3.1Å; N199-F201 VanDerWaalsContact O-N 3.15Å; N199-F201 WeakPolarHBondContact OD1-CA 3.44Å; N199-F201 WeakPolarHBondContact OD1-CB 3.49Å; N199-F201 WeakPolarHBondContact OD1-CD2 3.23Å; N199-F201 PolarHBondContact OD1-N 3.5Å
202H97.1Very high96.6Very high24 Ų2422.8 Ų22.811%0.11112%0.123CC..G310 helixtrans-105.215.7-174.7-61.4159.3000113.8H197 N199 P200 I213 C214 D215H197-H202 AromaticContact CD2-CE1 3.75Å; H197-H202 AromaticContact CD2-ND1 3.8Å; H197-H202 AromaticContact CE1-CE1 3.51Å; H197-H202 AromaticContact CG-CE1 3.57Å; H197-H202 AromaticContact CG-ND1 3.65Å; H197-H202 AromaticContact ND1-CE1 3.4Å; H197-H202 PolarHBondContact ND1-CE1 3.3Å; H197-H202 AromaticContact ND1-ND1 3.96Å; H197-H202 AromaticContact NE2-CE1 3.7Å; H197-H202 PolarHBondContact O-ND1 2.81Å; N199-H202 PolarHBondContact O-N 3.11Å; N199-H202 PolarHBondContact OD1-N 3.4Å; P200-H202 VanDerWaalsContact C-N 3.26Å; H202-I213 WeakPolarHBondContact O-CA 3.37Å; H202-C214 VanDerWaalsContact CA-SG 3.58Å; H202-C214 WeakPolarHBondContact CB-O 3.07Å; H202-C214 PolarHBondContact O-N 3.45Å; H202-D215 IonicContact NE2-OD2 2.68Å
203I98.5Very high96.8Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-117.1114.3170.7-59.7167.4000107.1S156 L157 L198 N199 I211 T269S156-I203 CarbonylContact C-O 3.59Å; S156-I203 VanDerWaalsContact CA-O 3.31Å; S156-I203 WeakPolarHBondContact CA-O 3.21Å; L157-I203 HydrophobicContact CD1-CB 3.96Å; L157-I203 HydrophobicContact CD1-CD1 4.5Å; L157-I203 HydrophobicContact CD1-CG2 3.44Å; L157-I203 VanDerWaalsContact CD1-CG2 3.44Å; L157-I203 HydrophobicContact CG-CB 4.14Å; L157-I203 HydrophobicContact CG-CG2 3.84Å; L157-I203 PolarHBondContact N-O 2.97Å; L198-I203 HydrophobicContact CD1-CD1 4.06Å; L198-I203 HydrophobicContact CD1-CG1 3.82Å; N199-I203 PolarHBondContact O-N 2.88Å; I203-I211 HydrophobicContact CG2-CG2 3.42Å; I203-I211 VanDerWaalsContact CG2-CG2 3.42Å; I203-T269 HydrophobicContact CD1-CG2 3.54Å
204L98.3Very high96.8Very high33 Ų3323 Ų2317%0.17312%0.121CC..EExtended strand (participates in β ladder)trans-104.6150.6-178.4-54-172.7000111.1V132 M152 G155 I211 K212 C214V132-L204 HydrophobicContact CG2-CD1 4.13Å; M152-L204 HydrophobicContact CB-CB 3.66Å; M152-L204 HydrophobicContact CB-CD1 3.96Å; M152-L204 HydrophobicContact CB-CG 4.45Å; M152-L204 HydrophobicContact CG-CB 3.77Å; M152-L204 HydrophobicContact CG-CD1 3.91Å; G155-L204 CarbonylContact O-C 3.57Å; G155-L204 WeakPolarHBondContact O-CA 3.42Å; L204-I211 WeakPolarHBondContact O-CA 3.45Å; L204-K212 PolarHBondContact N-O 3.13Å; L204-K212 PolarHBondContact O-N 3.48Å; L204-C214 HydrophobicContact CD1-CB 4.1Å; L204-C214 HydrophobicContact CG-CB 4.27Å
205A98.1Very high96.7Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-120.8156.8174.300000111.6M152 G154 G155 N210 I211 I358M152-A205 CarbonylContact C-O 3.53Å; M152-A205 WeakPolarHBondContact CB-O 3.39Å; G154-A205 CarbonylContact C-O 3.53Å; G154-A205 WeakPolarHBondContact CA-O 3.1Å; G154-A205 PolarHBondContact N-O 3.11Å; G155-A205 PolarHBondContact N-O 3.23Å; G155-A205 PolarHBondContact O-N 2.71Å; A205-N210 VanDerWaalsContact CA-O 3.27Å; A205-N210 WeakPolarHBondContact CA-O 3.5Å; A205-I211 HydrophobicContact CB-CD1 3.76Å; A205-I358 HydrophobicContact CB-CD1 3.5Å; A205-I358 HydrophobicContact CB-CG1 3.75Å; A205-I358 HydrophobicContact CB-CG2 3.99Å
206D96.2Very high96.6Very high28 Ų2824.9 Ų24.915%0.1513%0.131CC..  trans-111.8173.2163.367.920.7000111.5M152 N153 D208 G209 N210 I358M152-D206 HydrophobicContact CE-CB 3.94Å; N153-D206 VanDerWaalsContact OD1-CA 3.29Å; N153-D206 WeakPolarHBondContact OD1-CA 3.36Å; N153-D206 WeakPolarHBondContact OD1-CB 3.22Å; D206-D208 PolarHBondContact O-N 3.22Å; D206-D208 VanDerWaalsContact O-N 3.12Å; D206-D208 WeakPolarHBondContact OD1-CA 3.23Å; D206-D208 PolarHBondContact OD1-N 3.16Å; D206-G209 PolarHBondContact O-N 2.91Å; D206-G209 PolarHBondContact OD1-N 2.95Å; D206-G209 VanDerWaalsContact OD1-N 3.15Å; D206-N210 PolarHBondContact N-O 2.75Å; D206-N210 VanDerWaalsContact N-O 3.16Å; D206-N210 WeakPolarHBondContact OD1-CB 3.35Å; D206-N210 PolarHBondContact OD1-N 3.22Å; D206-N210 PolarHBondContact OD1-ND2 2.79Å; D206-N210 WeakPolarHBondContact OD2-CB 3.44Å; D206-N210 PolarHBondContact OD2-ND2 3.3Å; D206-I358 WeakPolarHBondContact O-CG2 3.43Å
207A94.5Very high96.4Very high25 Ų2527.3 Ų27.321%0.20715%0.145CC..THydrogen-bonded Turntrans-61.9-16.6-179.500000114.3N153 G209 K355 M362N153-A207 PolarHBondContact OD1-N 3Å; A207-G209 VanDerWaalsContact C-N 3.33Å; A207-K355 WeakPolarHBondContact O-CE 2.9Å; A207-M362 HydrophobicContact CB-CE 3.84Å; A207-M362 HydrophobicContact CB-SD 3.78Å
208D95.4Very high96.3Very high106 Ų10627.4 Ų27.457%0.56715%0.146SC*.THydrogen-bonded Turntrans-90.3-1.5175.5-73.4-44.1000113.1D206 K355D206-D208 PolarHBondContact O-N 3.22Å; D206-D208 VanDerWaalsContact O-N 3.12Å; D206-D208 WeakPolarHBondContact OD1-CA 3.23Å; D206-D208 PolarHBondContact OD1-N 3.16Å; D208-K355 IonicContact OD1-NZ 3.11Å; D208-K355 PolarHBondContact OD1-NZ 2.81Å
209G95.2Very high96.2Very high9 Ų927.7 Ų27.79%0.09315%0.148CC..  trans81.215.2-179.100000113.1D206 A207 L354D206-G209 PolarHBondContact O-N 2.91Å; D206-G209 PolarHBondContact OD1-N 2.95Å; D206-G209 VanDerWaalsContact OD1-N 3.15Å; A207-G209 VanDerWaalsContact C-N 3.33Å; G209-L354 WeakPolarHBondContact O-CD2 3.21Å
210N98.1Very high96.1Very high69 Ų6930.3 Ų30.337%0.36916%0.16SC..  trans-72.6134.4172.8-56-61.1000109.6A205 D206A205-N210 VanDerWaalsContact CA-O 3.27Å; A205-N210 WeakPolarHBondContact CA-O 3.5Å; D206-N210 PolarHBondContact N-O 2.75Å; D206-N210 VanDerWaalsContact N-O 3.16Å; D206-N210 WeakPolarHBondContact OD1-CB 3.35Å; D206-N210 PolarHBondContact OD1-N 3.22Å; D206-N210 PolarHBondContact OD1-ND2 2.79Å; D206-N210 WeakPolarHBondContact OD2-CB 3.44Å; D206-N210 PolarHBondContact OD2-ND2 3.3Å
211I98.7Very high96.1Very high3 Ų332.4 Ų32.42%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-107.6134-179.4-62.5-59.9000110.1H130 L157 V177 A180 I203 L204 A205 L354H130-I211 PolarHBondContact ND1-O 3.4Å; L157-I211 HydrophobicContact CD2-CD1 4.24Å; V177-I211 HydrophobicContact CG2-CD1 4.14Å; V177-I211 HydrophobicContact CG2-CG1 4.11Å; A180-I211 HydrophobicContact CB-CB 3.62Å; A180-I211 HydrophobicContact CB-CG2 3.8Å; I203-I211 HydrophobicContact CG2-CG2 3.42Å; I203-I211 VanDerWaalsContact CG2-CG2 3.42Å; L204-I211 WeakPolarHBondContact O-CA 3.45Å; A205-I211 HydrophobicContact CB-CD1 3.76Å; I211-L354 HydrophobicContact CD1-CD1 4.39Å; I211-L354 HydrophobicContact CD1-CD2 3.95Å; I211-L354 HydrophobicContact CG1-CD2 3.65Å
212K98.8Very high95.9Very high46 Ų4629 Ų2920%0.216%0.156CC..EExtended strand (participates in β ladder)trans-138.3141.4175.7-58.7-168.2174.6-178.50112.2H130 V132 E150 M152 L204H130-K212 CarbonylContact O-C 3.19Å; H130-K212 VanDerWaalsContact O-CA 3.25Å; H130-K212 WeakPolarHBondContact O-CA 3.17Å; V132-K212 HydrophobicContact CG2-CB 3.54Å; V132-K212 HydrophobicContact CG2-CD 4.35Å; E150-K212 VanDerWaalsContact OE1-CD 3.3Å; E150-K212 WeakPolarHBondContact OE1-CD 3.19Å; E150-K212 IonicContact OE1-NZ 3.74Å; E150-K212 PolarHBondContact OE1-NZ 2.89Å; E150-K212 IonicContact OE2-NZ 2.63Å; E150-K212 PolarHBondContact OE2-NZ 2.94Å; M152-K212 HydrophobicContact CE-CB 4.21Å; M152-K212 HydrophobicContact CE-CD 3.97Å; M152-K212 HydrophobicContact CE-CG 3.85Å; M152-K212 HydrophobicContact SD-CD 3.86Å; M152-K212 HydrophobicContact SD-CG 4.36Å; L204-K212 PolarHBondContact N-O 3.13Å; L204-K212 PolarHBondContact O-N 3.48Å
213I98.7Very high95.5Very high1 Ų130.5 Ų30.51%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-81.8138.6171-60.7177.2000109.3H130 V132 C181 A184 H195 L198 H202H130-I213 PolarHBondContact O-N 2.88Å; V132-I213 PolarHBondContact N-O 3.4Å; C181-I213 HydrophobicContact CB-CD1 4.3Å; A184-I213 HydrophobicContact CB-CD1 3.61Å; A184-I213 HydrophobicContact CB-CG1 4.14Å; H195-I213 VanDerWaalsContact CD2-CG2 3.43Å; H195-I213 WeakPolarHBondContact CD2-CG2 3.31Å; H195-I213 WeakPolarHBondContact NE2-CG2 3.47Å; L198-I213 HydrophobicContact CD1-CD1 3.67Å; L198-I213 HydrophobicContact CD1-CG1 3.82Å; L198-I213 HydrophobicContact CD1-CG2 3.92Å; L198-I213 HydrophobicContact CD2-CD1 4.25Å; H202-I213 WeakPolarHBondContact O-CA 3.37Å
214C97.1Very high94.9Very high18 Ų1836.3 Ų36.312%0.12221%0.205CC..  trans-128.2178.5175.172.60000112V132 H195 H202 L204V132-C214 HydrophobicContact CB-CB 3.92Å; V132-C214 HydrophobicContact CG1-CB 4.46Å; V132-C214 HydrophobicContact CG2-CB 3.7Å; H195-C214 PolarHBondContact CE1-O 3.4Å; H195-C214 PolarHBondContact NE2-O 3.01Å; H202-C214 VanDerWaalsContact CA-SG 3.58Å; H202-C214 WeakPolarHBondContact CB-O 3.07Å; H202-C214 PolarHBondContact O-N 3.45Å; L204-C214 HydrophobicContact CD1-CB 4.1Å; L204-C214 HydrophobicContact CG-CB 4.27Å
215D94Very high94.2Very high35 Ų3537.2 Ų37.219%0.18722%0.223CC..  trans64.789.4175.6-148.7-29.2000115.6K103 H195 H202 D217K103-D215 IonicContact NZ-OD1 3.48Å; K103-D215 PolarHBondContact NZ-OD1 3.38Å; K103-D215 IonicContact NZ-OD2 3.6Å; K103-D215 PolarHBondContact NZ-OD2 2.82Å; H195-D215 PolarHBondContact CE1-O 3.39Å; H195-D215 PolarHBondContact NE2-O 2.89Å; H195-D215 VanDerWaalsContact NE2-O 3.1Å; H202-D215 IonicContact NE2-OD2 2.68Å; D215-D217 PolarHBondContact OD1-N 2.94Å
216F94.8Very high93.4Very high5 Ų543.8 Ų43.82%0.02227%0.265CS..  trans-102.218.8-178.4-71.2-94000113V121 L122 V125 V131 L188 H195 D218 A219V121-F216 HydrophobicContact CG1-CB 3.97Å; V121-F216 HydrophobicContact CG1-CD1 3.75Å; V121-F216 HydrophobicContact CG1-CG 4.17Å; L122-F216 HydrophobicContact CD2-CB 4.27Å; L122-F216 HydrophobicContact CD2-CD2 4.27Å; L122-F216 HydrophobicContact CD2-CG 4.47Å; V125-F216 HydrophobicContact CG1-CE1 4.15Å; V125-F216 HydrophobicContact CG2-CE1 4.39Å; V125-F216 HydrophobicContact CG2-CZ 4.33Å; V131-F216 HydrophobicContact CG1-CE2 3.67Å; V131-F216 HydrophobicContact CG1-CZ 3.62Å; V131-F216 HydrophobicContact CG2-CZ 4.44Å; L188-F216 HydrophobicContact CD1-CE1 3.87Å; L188-F216 HydrophobicContact CD1-CZ 4.26Å; L188-F216 HydrophobicContact CD2-CE1 3.57Å; L188-F216 HydrophobicContact CD2-CZ 3.94Å; L188-F216 HydrophobicContact CG-CE1 4.39Å; H195-F216 AromaticContact CD2-CE1 3.69Å; H195-F216 AromaticContact CD2-CZ 3.97Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 3.34Å; F216-A219 HydrophobicContact CB-CB 3.9Å; F216-A219 HydrophobicContact CD1-CB 3.69Å; F216-A219 HydrophobicContact CG-CB 4.27Å; F216-A219 WeakPolarHBondContact O-CB 3.37Å; F216-A219 PolarHBondContact O-N 3Å; F216-A219 VanDerWaalsContact O-N 3.16Å
217D91.5Very high92.7Very high54 Ų5446 Ų4629%0.28930%0.295SS..SBendtrans-62.7-36.9-177.1-72-14.3000112K103 R145 D215K103-D217 WeakPolarHBondContact CE-OD2 3.34Å; K103-D217 IonicContact NZ-OD1 3.88Å; K103-D217 IonicContact NZ-OD2 2.85Å; K103-D217 PolarHBondContact NZ-OD2 3.49Å; R145-D217 IonicContact NH1-OD1 2.87Å; D215-D217 PolarHBondContact OD1-N 2.94Å
218D92.1Very high92.2Very high34 Ų3446.2 Ų46.218%0.18230%0.295CS..SBendtrans-91.5-5.9177.3-77-21.2000113.9H197 F216 F236 G237H197-D218 HydrophobicContact CB-CB 4.03Å; H197-D218 IonicContact CE1-OD2 3.58Å; H197-D218 IonicContact CG-OD2 3.4Å; H197-D218 IonicContact ND1-OD2 3.65Å; H197-D218 PolarHBondContact ND1-OD2 3.3Å; H197-D218 VanDerWaalsContact ND1-OD2 3.11Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 3.34Å; D218-F236 HydrophobicContact CB-CB 4.22Å; D218-F236 HydrophobicContact CB-CD1 4.37Å; D218-F236 WeakPolarHBondContact OD1-CD1 3.45Å; D218-G237 WeakPolarHBondContact OD2-CA 3.33Å; D218-G237 PolarHBondContact OD2-N 3.47Å
219A95.2Very high91.8Very high5 Ų544.3 Ų44.34%0.04129%0.287CS..  trans-66.8149.9-177.200000111.1V121 V193 V194 H195 F216V121-A219 HydrophobicContact CG1-CB 3.91Å; V121-A219 HydrophobicContact CG2-CB 4.47Å; V193-A219 HydrophobicContact CG1-CB 4.41Å; V194-A219 CarbonylContact O-C 3.46Å; V194-A219 VanDerWaalsContact O-CA 3.23Å; V194-A219 WeakPolarHBondContact O-CA 3.34Å; V194-A219 VanDerWaalsContact O-CB 3.31Å; V194-A219 WeakPolarHBondContact O-CB 3.27Å; H195-A219 WeakPolarHBondContact O-CA 3.42Å; F216-A219 HydrophobicContact CB-CB 3.9Å; F216-A219 HydrophobicContact CD1-CB 3.69Å; F216-A219 HydrophobicContact CG-CB 4.27Å; F216-A219 WeakPolarHBondContact O-CB 3.37Å; F216-A219 PolarHBondContact O-N 3Å; F216-A219 VanDerWaalsContact O-N 3.16Å
220K94.4Very high91.4Very high57 Ų5744.6 Ų44.625%0.24829%0.287CS..EExtended strand (participates in β ladder)trans-131146.7-178.4-57.1-67.1174.8-162.70112V193 V194 L196 V230V193-K220 WeakPolarHBondContact CA-O 3.44Å; V194-K220 HydrophobicContact CG2-CB 4.11Å; V194-K220 WeakPolarHBondContact CG2-O 3.3Å; V194-K220 PolarHBondContact N-O 3.15Å; V194-K220 PolarHBondContact O-N 2.83Å; L196-K220 HydrophobicContact CD1-CB 4.31Å; L196-K220 HydrophobicContact CD1-CG 3.75Å; K220-V230 HydrophobicContact CB-CG2 3.52Å; K220-V230 HydrophobicContact CG-CG2 3.86Å
221I95Very high90.7Very high43 Ų4346.4 Ų46.422%0.22129%0.29CS..EExtended strand (participates in β ladder)trans-87.5120.3168.2-65.7139.4000108A120 V121 R124 G192 V193 P223A120-I221 HydrophobicContact CB-CD1 3.85Å; V121-I221 HydrophobicContact CG2-CD1 3.75Å; V121-I221 HydrophobicContact CG2-CG1 3.91Å; R124-I221 VanDerWaalsContact CZ-CG2 3.49Å; G192-I221 CarbonylContact O-C 3.59Å; G192-I221 WeakPolarHBondContact O-CA 3.27Å; V193-I221 HydrophobicContact CG2-CG1 4.37Å; I221-P223 WeakPolarHBondContact O-CD 3.48Å
222I91.9Very high89.9Confident14 Ų1446.4 Ų46.47%0.07229%0.29CS..PPolyproline II helixtrans-70.9120.8170.3-59.7163.9000107.6G192 V194 V230 A255 A258 R259G192-I222 PolarHBondContact O-N 3.22Å; V194-I222 HydrophobicContact CG1-CD1 3.68Å; V194-I222 HydrophobicContact CG1-CG1 4.26Å; V194-I222 HydrophobicContact CG2-CG1 4.42Å; I222-V230 HydrophobicContact CG1-CG1 4.44Å; I222-A255 HydrophobicContact CD1-CB 4.18Å; I222-A255 HydrophobicContact CG2-CB 3.84Å; I222-A258 HydrophobicContact CD1-CB 4.38Å; I222-R259 HydrophobicContact CD1-CG 4.24Å
223P88.3Confident88.9Confident56 Ų5644.2 Ų44.236%0.36428%0.281SS..PPolyproline II helixtrans-60.5141.7176.1-19.831.2000110.9I221 S228I221-P223 WeakPolarHBondContact O-CD 3.48Å; P223-S228 WeakPolarHBondContact O-CB 3.2Å; P223-S228 PolarHBondContact O-OG 3.05Å
224P85.6Confident87.6Confident121 Ų12148.7 Ų48.779%0.78630%0.303SS*.SBendtrans-66.6157.5176.829.4-35.1000111S228P224-S228 PolarHBondContact O-OG 3.48Å
225G84.5Confident86.3Confident53 Ų5350 Ų5055%0.54632%0.32SS..SBendtrans104.4155.217400000115S228G225-S228 WeakPolarHBondContact O-CB 3.29Å; G225-S228 PolarHBondContact O-N 3.26Å; G225-S228 PolarHBondContact O-OG 2.99Å
226P81.1Confident85.1Confident137 Ų13750.1 Ų50.189%0.8932%0.319SS*.THydrogen-bonded Turntrans-67.4136.7178.327.9-32.9000110.8S228P226-S228 PolarHBondContact O-N 3.08Å
227G80.8Confident84.2Confident74 Ų7450.9 Ų50.976%0.76333%0.328SS*.THydrogen-bonded Turntrans79.9-2-179.600000114.9T229G227-T229 PolarHBondContact O-N 3.08Å
228S85.2Confident83.9Confident31 Ų3149.8 Ų49.822%0.21732%0.324CS..  trans-61.9133.5174-70.80000111P223 P224 G225 P226P223-S228 WeakPolarHBondContact O-CB 3.2Å; P223-S228 PolarHBondContact O-OG 3.05Å; P224-S228 PolarHBondContact O-OG 3.48Å; G225-S228 WeakPolarHBondContact O-CB 3.29Å; G225-S228 PolarHBondContact O-N 3.26Å; G225-S228 PolarHBondContact O-OG 2.99Å; P226-S228 PolarHBondContact O-N 3.08Å
229T86.6Confident83.7Confident66 Ų6649.8 Ų49.841%0.40533%0.326SS..EExtended strand (participates in β ladder)trans-125.5156.3-18059.20000111.4G227 M252 A253G227-T229 PolarHBondContact O-N 3.08Å; T229-M252 WeakPolarHBondContact CB-SD 3.28Å; T229-M252 HydrophobicContact CG2-CG 3.87Å; T229-M252 VanDerWaalsContact OG1-CG 3.23Å; T229-M252 WeakPolarHBondContact OG1-CG 3.26Å; T229-M252 PolarHBondContact OG1-SD 2.78Å; T229-A253 CarbonylContact C-O 3.54Å; T229-A253 VanDerWaalsContact CA-O 3.26Å; T229-A253 WeakPolarHBondContact CA-O 3.48Å
230V86.9Confident83.5Confident14 Ų1452.1 Ų52.19%0.08534%0.336CS..EExtended strand (participates in β ladder)trans-127.2139174.164.70000108.7K220 I222 A253 A258K220-V230 HydrophobicContact CB-CG2 3.52Å; K220-V230 HydrophobicContact CG-CG2 3.86Å; I222-V230 HydrophobicContact CG1-CG1 4.44Å; V230-A253 HydrophobicContact CG1-CB 4.48Å; V230-A253 PolarHBondContact N-O 2.91Å; V230-A253 PolarHBondContact O-N 3.27Å; V230-A258 HydrophobicContact CG1-CB 3.78Å
231Y84.3Confident83.4Confident108 Ų10850 Ų5042%0.42433%0.327SS..EExtended strand (participates in β ladder)trans-76.1124.2172.5180-112.5000109.3F236 M250 A251 M252Y231-F236 AromaticContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CZ 4.21Å; Y231-F236 HydrophobicContact CE1-CD2 4.38Å; Y231-F236 AromaticContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CZ 4.34Å; Y231-M250 WeakPolarHBondContact CD2-O 3.47Å; Y231-A251 HydrophobicContact CE2-CB 4.26Å; Y231-M252 HydrophobicContact CD2-CE 4.36Å
232S81.6Confident83.2Confident2 Ų248.2 Ų48.21%0.01432%0.318CS..  trans-135.737-17859.80000111.7R246 A251S232-R246 WeakPolarHBondContact O-CB 3.34Å; S232-R246 VanDerWaalsContact O-CG 3.24Å; S232-R246 WeakPolarHBondContact O-CG 3.48Å; S232-R246 PolarHBondContact O-NE 3.17Å; S232-A251 PolarHBondContact N-O 2.7Å; S232-A251 VanDerWaalsContact N-O 3.1Å; S232-A251 PolarHBondContact OG-O 3.42Å
233G77.1Confident83.3Confident1 Ų147.6 Ų47.61%0.0131%0.314CS..  trans-71.2-169-174.400000115.9G235 F236G233-G235 PolarHBondContact O-N 3.12Å; G233-G235 VanDerWaalsContact O-N 3.17Å; G233-F236 PolarHBondContact O-N 3.23Å
234I70.6Confident83.5Confident94 Ų9445.7 Ų45.748%0.48230%0.302SS..THydrogen-bonded Turntrans-65.2-15.3-173.563.2172.1000115F236 M242I234-F236 PolarHBondContact O-N 3.37Å; I234-M242 HydrophobicContact CB-CE 4.39Å; I234-M242 HydrophobicContact CB-SD 4.22Å; I234-M242 HydrophobicContact CG2-SD 3.78Å
235G70.6Confident83.8Confident45 Ų4541.6 Ų41.646%0.46427%0.272SS..THydrogen-bonded Turntrans-73.6-4.9177.300000114.4G233G233-G235 PolarHBondContact O-N 3.12Å; G233-G235 VanDerWaalsContact O-N 3.17Å
236F69Low84.1Confident39 Ų3939.3 Ų39.317%0.17125%0.247CC..SBendtrans-118.4143179.3-54.3-73.9000110.7D218 Y231 G233 I234 M242 R246D218-F236 HydrophobicContact CB-CB 4.22Å; D218-F236 HydrophobicContact CB-CD1 4.37Å; D218-F236 WeakPolarHBondContact OD1-CD1 3.45Å; Y231-F236 AromaticContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CZ 4.21Å; Y231-F236 HydrophobicContact CE1-CD2 4.38Å; Y231-F236 AromaticContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CZ 4.34Å; G233-F236 PolarHBondContact O-N 3.23Å; I234-F236 PolarHBondContact O-N 3.37Å; F236-M242 VanDerWaalsContact O-CE 3.24Å; F236-M242 WeakPolarHBondContact O-CE 3.3Å; F236-R246 PolarHBondContact O-NH2 3.02Å
237G76Confident84.3Confident20 Ų2033.5 Ų33.521%0.20621%0.21CC..SBendtrans79.7-170.2172.600000114.9H197 D218H197-G237 VanDerWaalsContact CD2-CA 3.45Å; H197-G237 WeakPolarHBondContact CD2-CA 3.35Å; D218-G237 WeakPolarHBondContact OD2-CA 3.33Å; D218-G237 PolarHBondContact OD2-N 3.47Å
238S86Confident84.2Confident32 Ų3232.2 Ų32.222%0.22419%0.192CC..  trans-97.2119.5175.7-63.60000109.5H197 E240 Y241H197-S238 PolarHBondContact CD2-N 3.31Å; H197-S238 PolarHBondContact NE2-N 3.16Å; H197-S238 PolarHBondContact NE2-OG 3.36Å; S238-E240 PolarHBondContact O-N 3.48Å; S238-Y241 PolarHBondContact O-N 2.84Å
239P87.8Confident83.3Confident33 Ų3336.8 Ų36.821%0.21422%0.221CC..G310 helixtrans-50.7-33.5-175.7-31.937.3000115Y241 M242 L289 L292 I296P239-Y241 PolarHBondContact O-N 3.41Å; P239-M242 VanDerWaalsContact O-CB 3.23Å; P239-M242 WeakPolarHBondContact O-CB 3.43Å; P239-M242 PolarHBondContact O-N 3.32Å; P239-M242 VanDerWaalsContact O-N 3.16Å; P239-L289 HydrophobicContact CB-CD2 3.9Å; P239-L289 HydrophobicContact CG-CD2 3.51Å; P239-L292 HydrophobicContact CB-CD2 3.47Å; P239-L292 VanDerWaalsContact CB-CD2 3.47Å; P239-I296 WeakPolarHBondContact O-CD1 3.24Å
240E89.6Confident82.4Confident55 Ų5540.5 Ų40.526%0.25724%0.235SC..G310 helixtrans-67.8-18.5-178.7-53.683.9174.100113.6S238 A280 L292S238-E240 PolarHBondContact O-N 3.48Å; E240-A280 HydrophobicContact CB-CB 4.1Å; E240-A280 WeakPolarHBondContact O-CB 3.28Å; E240-L292 HydrophobicContact CG-CD2 4.3Å
241Y93.2Very high82Confident13 Ų1340.1 Ų40.15%0.05123%0.234CC..G310 helixtrans-108.34.4179.3-56.9-96.9000111.8N199 S238 P239 S265 I268 H272N199-Y241 HydrophobicContact CB-CD1 3.72Å; N199-Y241 HydrophobicContact CB-CD2 3.99Å; N199-Y241 HydrophobicContact CB-CE1 3.66Å; N199-Y241 HydrophobicContact CB-CE2 3.91Å; N199-Y241 HydrophobicContact CB-CG 3.88Å; S238-Y241 PolarHBondContact O-N 2.84Å; P239-Y241 PolarHBondContact O-N 3.41Å; Y241-S265 WeakPolarHBondContact O-CB 3.41Å; Y241-I268 HydrophobicContact CD1-CB 3.94Å; Y241-I268 HydrophobicContact CD1-CG2 3.46Å; Y241-I268 VanDerWaalsContact CD1-CG2 3.46Å; Y241-I268 HydrophobicContact CE1-CG2 3.82Å; Y241-I268 HydrophobicContact CG-CG2 4.15Å; Y241-H272 AromaticContact CZ-ND1 3.81Å; Y241-H272 PolarHBondContact OH-CE1 3.49Å; Y241-H272 VanDerWaalsContact OH-CE1 3.28Å; Y241-H272 PolarHBondContact OH-ND1 3.35Å
242M91.5Very high81.8Confident5 Ų539.6 Ų39.63%0.02524%0.236CC..  trans-76.4139.7-174.2-166.5168.9-67.600111.1I234 F236 P239 R246 W264 I296I234-M242 HydrophobicContact CB-CE 4.39Å; I234-M242 HydrophobicContact CB-SD 4.22Å; I234-M242 HydrophobicContact CG2-SD 3.78Å; F236-M242 VanDerWaalsContact O-CE 3.24Å; F236-M242 WeakPolarHBondContact O-CE 3.3Å; P239-M242 VanDerWaalsContact O-CB 3.23Å; P239-M242 WeakPolarHBondContact O-CB 3.43Å; P239-M242 PolarHBondContact O-N 3.32Å; P239-M242 VanDerWaalsContact O-N 3.16Å; M242-R246 HydrophobicContact CG-CB 3.63Å; M242-R246 HydrophobicContact SD-CB 4.1Å; M242-W264 PolarHBondContact O-NE1 3.36Å; M242-I296 HydrophobicContact CB-CD1 4.42Å; M242-I296 WeakPolarHBondContact O-CG2 3.38Å
243S92.9Very high81.8Confident0 Ų039.6 Ų39.60%024%0.237CC..  trans-81.3152.317764.20000112.2E245 R246 A261 W264S243-E245 VanDerWaalsContact C-N 3.27Å; S243-E245 VanDerWaalsContact CB-CD 3.43Å; S243-E245 WeakPolarHBondContact CB-OE1 3.43Å; S243-E245 WeakPolarHBondContact CB-OE2 3.43Å; S243-E245 PolarHBondContact O-N 2.86Å; S243-E245 PolarHBondContact OG-OE1 3.43Å; S243-E245 PolarHBondContact OG-OE2 2.98Å; S243-R246 WeakPolarHBondContact O-CB 3.4Å; S243-R246 PolarHBondContact O-N 3.32Å; S243-R246 WeakPolarHBondContact OG-CD 3.42Å; S243-R246 WeakPolarHBondContact OG-CG 3.44Å; S243-A261 WeakPolarHBondContact OG-CB 3.24Å; S243-W264 VanDerWaalsContact CA-CD1 3.49Å
244P92.4Very high82.2Confident17 Ų1740.7 Ų40.711%0.1125%0.248CC..G310 helixtrans-54.9-39.5-177.1-25.833.5000114R246 C247 W264 I296 K325P244-R246 PolarHBondContact O-N 2.84Å; P244-C247 WeakPolarHBondContact O-CB 3.14Å; P244-C247 PolarHBondContact O-N 2.95Å; P244-W264 HydrophobicContact CG-CE3 4.32Å; P244-W264 HydrophobicContact CG-CH2 3.62Å; P244-W264 HydrophobicContact CG-CZ2 4.05Å; P244-W264 HydrophobicContact CG-CZ3 3.78Å; P244-I296 HydrophobicContact CB-CG2 4.33Å; P244-I296 HydrophobicContact CG-CG2 4Å; P244-K325 HydrophobicContact CG-CG 4.13Å
245E91.2Very high83Confident35 Ų3537.7 Ų37.716%0.16424%0.237CC..G310 helixtrans-66.4-22.5179.565.4-85.5-171.700113.9S243 A248 V257 V327 R330S243-E245 VanDerWaalsContact C-N 3.27Å; S243-E245 VanDerWaalsContact CB-CD 3.43Å; S243-E245 WeakPolarHBondContact CB-OE1 3.43Å; S243-E245 WeakPolarHBondContact CB-OE2 3.43Å; S243-E245 PolarHBondContact O-N 2.86Å; S243-E245 PolarHBondContact OG-OE1 3.43Å; S243-E245 PolarHBondContact OG-OE2 2.98Å; E245-A248 WeakPolarHBondContact O-CB 3.37Å; E245-V257 HydrophobicContact CB-CG1 4.18Å; E245-V257 HydrophobicContact CG-CG1 3.7Å; E245-V327 HydrophobicContact CB-CG2 4.42Å; E245-V327 HydrophobicContact CG-CG2 4.16Å; E245-R330 IonicContact OE1-CZ 3.72Å; E245-R330 IonicContact OE1-NH1 2.99Å; E245-R330 PolarHBondContact OE1-NH1 2.94Å; E245-R330 IonicContact OE1-NH2 3.59Å; E245-R330 IonicContact OE2-CZ 2.64Å; E245-R330 IonicContact OE2-NH1 2.79Å; E245-R330 PolarHBondContact OE2-NH1 3.02Å; E245-R330 IonicContact OE2-NH2 3.67Å; E245-R330 PolarHBondContact OE2-NH2 3.33Å
246R90.8Very high83.9Confident4 Ų442.5 Ų42.52%0.01524%0.241CC..G310 helixtrans-82.8-18.6177.1-68.4-178.759.1-163.6-2.1112.8L196 S232 F236 M242 S243 P244 A248 A261L196-R246 PolarHBondContact O-NH1 3.39Å; S232-R246 WeakPolarHBondContact O-CB 3.34Å; S232-R246 VanDerWaalsContact O-CG 3.24Å; S232-R246 WeakPolarHBondContact O-CG 3.48Å; S232-R246 PolarHBondContact O-NE 3.17Å; F236-R246 PolarHBondContact O-NH2 3.02Å; M242-R246 HydrophobicContact CG-CB 3.63Å; M242-R246 HydrophobicContact SD-CB 4.1Å; S243-R246 WeakPolarHBondContact O-CB 3.4Å; S243-R246 PolarHBondContact O-N 3.32Å; S243-R246 WeakPolarHBondContact OG-CD 3.42Å; S243-R246 WeakPolarHBondContact OG-CG 3.44Å; P244-R246 PolarHBondContact O-N 2.84Å; R246-A248 VanDerWaalsContact C-N 3.25Å; R246-A261 HydrophobicContact CG-CB 4.2Å
247C85.3Confident85Confident16 Ų1642.9 Ų42.911%0.10825%0.246CC..G310 helixtrans-76.5-10.8172.4-63.60000113.1P244 S293 S297P244-C247 WeakPolarHBondContact O-CB 3.14Å; P244-C247 PolarHBondContact O-N 2.95Å; C247-S293 WeakPolarHBondContact CB-OG 3.48Å; C247-S297 WeakPolarHBondContact CB-OG 3.36Å
248A80.6Confident85.8Confident46 Ų4641.9 Ų41.938%0.3824%0.237SC..SBendtrans-70.9147.7-179.800000112.5E245 R246 M250 A251E245-A248 WeakPolarHBondContact O-CB 3.37Å; R246-A248 VanDerWaalsContact C-N 3.25Å; A248-M250 VanDerWaalsContact C-N 3.3Å; A248-M250 PolarHBondContact O-N 3.5Å; A248-M250 VanDerWaalsContact O-N 3.1Å; A248-A251 WeakPolarHBondContact O-CB 3.35Å; A248-A251 PolarHBondContact O-N 3.28Å
249P64.9Low86.2Confident127 Ų12744.6 Ų44.683%0.82524%0.242SC*.THydrogen-bonded Turntrans-55.1-36.1-171.8-2834000115.9
250M67.7Low86.6Confident144 Ų14443.5 Ų43.571%0.70924%0.236SC*.THydrogen-bonded Turntrans-93.8-24.1178.6-106.660.271.500113.3Y231 A248 M252Y231-M250 WeakPolarHBondContact CD2-O 3.47Å; A248-M250 VanDerWaalsContact C-N 3.3Å; A248-M250 PolarHBondContact O-N 3.5Å; A248-M250 VanDerWaalsContact O-N 3.1Å; M250-M252 PolarHBondContact O-N 2.91Å
251A78.8Confident86.9Confident7 Ų741 Ų416%0.05822%0.224CC..  trans33.637.8-176.800000115.1Y231 S232 A248 A253Y231-A251 HydrophobicContact CE2-CB 4.26Å; S232-A251 PolarHBondContact N-O 2.7Å; S232-A251 VanDerWaalsContact N-O 3.1Å; S232-A251 PolarHBondContact OG-O 3.42Å; A248-A251 WeakPolarHBondContact O-CB 3.35Å; A248-A251 PolarHBondContact O-N 3.28Å; A251-A253 PolarHBondContact O-N 3.43Å
252M80.4Confident87.1Confident97 Ų9740.3 Ų40.348%0.47822%0.221SC..EExtended strand (participates in β ladder)trans-91.9106.4-174.8-169.856.567.400107.5T229 Y231 M250T229-M252 WeakPolarHBondContact CB-SD 3.28Å; T229-M252 HydrophobicContact CG2-CG 3.87Å; T229-M252 VanDerWaalsContact OG1-CG 3.23Å; T229-M252 WeakPolarHBondContact OG1-CG 3.26Å; T229-M252 PolarHBondContact OG1-SD 2.78Å; Y231-M252 HydrophobicContact CD2-CE 4.36Å; M250-M252 PolarHBondContact O-N 2.91Å
253A81.1Confident87.5Confident2 Ų240.2 Ų40.22%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-105.7125.6-168.300000110.3T229 V230 A251 V257 A258T229-A253 CarbonylContact C-O 3.54Å; T229-A253 VanDerWaalsContact CA-O 3.26Å; T229-A253 WeakPolarHBondContact CA-O 3.48Å; V230-A253 HydrophobicContact CG1-CB 4.48Å; V230-A253 PolarHBondContact N-O 2.91Å; V230-A253 PolarHBondContact O-N 3.27Å; A251-A253 PolarHBondContact O-N 3.43Å; A253-V257 HydrophobicContact CB-CB 3.83Å; A253-V257 HydrophobicContact CB-CG1 3.67Å; A253-A258 HydrophobicContact CB-CB 3.97Å
254G85.9Confident87.7Confident24 Ų2440.4 Ų40.425%0.24722%0.222CC..EExtended strand (participates in β ladder)trans-66.9167.3161.500000110.9R256 V257 A258G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 2.77Å; G254-R256 VanDerWaalsContact O-N 3.09Å; G254-V257 PolarHBondContact O-N 3.35Å; G254-A258 PolarHBondContact O-N 2.85Å
255A87.4Confident87.9Confident31 Ų3139.7 Ų39.726%0.25622%0.217SC..Hα-helixtrans-49.1-43.1-175.300000114.5I222 R259I222-A255 HydrophobicContact CD1-CB 4.18Å; I222-A255 HydrophobicContact CG2-CB 3.84Å; A255-R259 WeakPolarHBondContact O-CB 3.46Å; A255-R259 WeakPolarHBondContact O-CD 3.49Å; A255-R259 WeakPolarHBondContact O-CG 3.37Å; A255-R259 PolarHBondContact O-N 2.68Å; A255-R259 VanDerWaalsContact O-N 3.15Å
256R89.5Confident88.3Confident146 Ų14638.1 Ų38.155%0.55121%0.21SC*.Hα-helixtrans-64.4-43.6178.2-179.4175.9177124.92.2112.2G254 A260 V327 C328G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 2.77Å; G254-R256 VanDerWaalsContact O-N 3.09Å; R256-A260 WeakPolarHBondContact O-CB 3.23Å; R256-A260 PolarHBondContact O-N 3.21Å; R256-V327 HydrophobicContact CG-CG1 4.34Å; R256-C328 PolarHBondContact NH2-O 2.95Å
257V91.8Very high88.7Confident46 Ų4637.9 Ų37.928%0.27921%0.209SC..Hα-helixtrans-67-45-177.91800000110.1E245 A253 G254 R259 A260 A261 V327E245-V257 HydrophobicContact CB-CG1 4.18Å; E245-V257 HydrophobicContact CG-CG1 3.7Å; A253-V257 HydrophobicContact CB-CB 3.83Å; A253-V257 HydrophobicContact CB-CG1 3.67Å; G254-V257 PolarHBondContact O-N 3.35Å; V257-R259 PolarHBondContact O-N 2.9Å; V257-A260 PolarHBondContact O-N 3.3Å; V257-A261 PolarHBondContact O-N 2.77Å; V257-A261 VanDerWaalsContact O-N 3.16Å; V257-V327 HydrophobicContact CG1-CG2 4.45Å; V257-V327 HydrophobicContact CG2-CG1 4.25Å
258A92.5Very high89.3Confident0 Ų037.2 Ų37.20%020%0.204CC..Hα-helixtrans-63.1-42.6179.300000112.1V194 I222 V230 A253 G254 A261V194-A258 HydrophobicContact CG1-CB 3.95Å; V194-A258 HydrophobicContact CG2-CB 4.24Å; I222-A258 HydrophobicContact CD1-CB 4.38Å; V230-A258 HydrophobicContact CG1-CB 3.78Å; A253-A258 HydrophobicContact CB-CB 3.97Å; G254-A258 PolarHBondContact O-N 2.85Å; A258-A261 WeakPolarHBondContact O-CB 3.07Å; A258-A261 PolarHBondContact O-N 3Å
259R95.5Very high90.1Very high89 Ų8935 Ų3534%0.33619%0.186SC..Hα-helixtrans-66.6-35.4176-69.7174.8-176.4141.3-4.5113H189 V194 I222 A255 V257 A261 D262 V263H189-R259 HydrophobicContact CB-CG 4.16Å; H189-R259 VanDerWaalsContact CE1-CB 3.5Å; H189-R259 WeakPolarHBondContact CE1-CB 3.46Å; H189-R259 PolarHBondContact CE1-O 3.32Å; H189-R259 PolarHBondContact O-NH2 3.47Å; H189-R259 VanDerWaalsContact O-NH2 3.12Å; V194-R259 HydrophobicContact CG1-CG 3.92Å; I222-R259 HydrophobicContact CD1-CG 4.24Å; A255-R259 WeakPolarHBondContact O-CB 3.46Å; A255-R259 WeakPolarHBondContact O-CD 3.49Å; A255-R259 WeakPolarHBondContact O-CG 3.37Å; A255-R259 PolarHBondContact O-N 2.68Å; A255-R259 VanDerWaalsContact O-N 3.15Å; V257-R259 PolarHBondContact O-N 2.9Å; R259-A261 PolarHBondContact O-N 3.5Å; R259-D262 PolarHBondContact O-N 3.23Å; R259-V263 PolarHBondContact O-N 2.83Å
260A96.3Very high91.7Very high10 Ų1029 Ų298%0.08315%0.147CC..Hα-helixtrans-66.9-27.8176.600000112.1R256 V257 V263 W264 V327 R330R256-A260 WeakPolarHBondContact O-CB 3.23Å; R256-A260 PolarHBondContact O-N 3.21Å; V257-A260 PolarHBondContact O-N 3.3Å; A260-V263 WeakPolarHBondContact O-CB 3.41Å; A260-V263 PolarHBondContact O-N 3.28Å; A260-W264 PolarHBondContact O-N 3.36Å; A260-V327 HydrophobicContact CB-CB 4.5Å; A260-V327 HydrophobicContact CB-CG1 3.74Å; A260-V327 HydrophobicContact CB-CG2 4.33Å; A260-R330 WeakPolarHBondContact O-CD 3.45Å; A260-R330 PolarHBondContact O-NH1 2.98Å
261A95.6Very high93.1Very high1 Ų122.2 Ų22.21%0.00811%0.113CC..Hα-helixtrans-64.6-38.517500000112.5L196 S243 R246 V257 A258 R259 V263 W264 S265L196-A261 HydrophobicContact CD2-CB 4.26Å; S243-A261 WeakPolarHBondContact OG-CB 3.24Å; R246-A261 HydrophobicContact CG-CB 4.2Å; V257-A261 PolarHBondContact O-N 2.77Å; V257-A261 VanDerWaalsContact O-N 3.16Å; A258-A261 WeakPolarHBondContact O-CB 3.07Å; A258-A261 PolarHBondContact O-N 3Å; R259-A261 PolarHBondContact O-N 3.5Å; A261-V263 VanDerWaalsContact C-N 3.28Å; A261-V263 PolarHBondContact O-N 2.8Å; A261-W264 PolarHBondContact O-N 3.19Å; A261-S265 PolarHBondContact O-N 3.44Å; A261-S265 VanDerWaalsContact O-N 3.08Å; A261-S265 PolarHBondContact O-OG 2.76Å
262D97.8Very high94Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-64.1-34.3173.5-71.9-21.4000112.2L185 H189 V194 H195 L196 R259 S265 L266L185-D262 HydrophobicContact CD1-CB 4.2Å; L185-D262 HydrophobicContact CD2-CB 3.72Å; H189-D262 IonicContact CD2-OD2 3.51Å; H189-D262 IonicContact CE1-OD2 2.84Å; H189-D262 IonicContact NE2-OD2 2.72Å; H189-D262 PolarHBondContact NE2-OD2 3.23Å; V194-D262 WeakPolarHBondContact CA-OD2 3.42Å; H195-D262 PolarHBondContact N-OD1 3.4Å; H195-D262 PolarHBondContact N-OD2 3.41Å; L196-D262 PolarHBondContact N-OD1 2.72Å; R259-D262 PolarHBondContact O-N 3.23Å; D262-S265 WeakPolarHBondContact CA-OG 3.36Å; D262-S265 PolarHBondContact O-OG 2.86Å; D262-L266 WeakPolarHBondContact O-CB 3.49Å; D262-L266 PolarHBondContact O-N 3.3Å
263V98.6Very high94.8Very high2 Ų217.6 Ų17.61%0.0129%0.09CC..Hα-helixtrans-67.1-41.6175.5171.40000111.2R259 A260 A261 L266 G267 C322 R330 A331 V333 L336R259-V263 PolarHBondContact O-N 2.83Å; A260-V263 WeakPolarHBondContact O-CB 3.41Å; A260-V263 PolarHBondContact O-N 3.28Å; A261-V263 VanDerWaalsContact C-N 3.28Å; A261-V263 PolarHBondContact O-N 2.8Å; V263-L266 PolarHBondContact O-N 3.31Å; V263-G267 PolarHBondContact O-N 3.38Å; V263-C322 HydrophobicContact CG1-CB 4.08Å; V263-R330 HydrophobicContact CG1-CG 4.06Å; V263-A331 WeakPolarHBondContact CG1-O 3.21Å; V263-V333 HydrophobicContact CG2-CG2 3.9Å; V263-L336 HydrophobicContact CB-CD1 4.47Å; V263-L336 HydrophobicContact CG1-CD1 3.49Å; V263-L336 VanDerWaalsContact CG1-CD1 3.49Å; V263-L336 HydrophobicContact CG2-CD1 4.26Å
264W97.8Very high95.6Very high5 Ų518 Ų182%0.0199%0.09CC..Hα-helixtrans-61.1-49176.3175.2-80.3000111.4M242 S243 P244 A260 A261 L266 G267 I268 I296 P301 L323 K325M242-W264 PolarHBondContact O-NE1 3.36Å; S243-W264 VanDerWaalsContact CA-CD1 3.49Å; P244-W264 HydrophobicContact CG-CE3 4.32Å; P244-W264 HydrophobicContact CG-CH2 3.62Å; P244-W264 HydrophobicContact CG-CZ2 4.05Å; P244-W264 HydrophobicContact CG-CZ3 3.78Å; A260-W264 PolarHBondContact O-N 3.36Å; A261-W264 PolarHBondContact O-N 3.19Å; W264-L266 VanDerWaalsContact C-N 3.28Å; W264-L266 PolarHBondContact O-N 3.35Å; W264-G267 WeakPolarHBondContact O-CA 3.3Å; W264-G267 PolarHBondContact O-N 3.47Å; W264-I268 PolarHBondContact O-N 3.34Å; W264-I296 HydrophobicContact CZ2-CG2 4.34Å; W264-P301 HydrophobicContact CH2-CB 4.33Å; W264-L323 HydrophobicContact CD2-CD2 3.85Å; W264-L323 HydrophobicContact CE3-CD2 4.03Å; W264-L323 HydrophobicContact CG-CD2 4.2Å; W264-L323 HydrophobicContact CZ3-CB 4.46Å; W264-L323 HydrophobicContact CZ3-CD2 4.46Å; W264-L323 WeakPolarHBondContact O-CD2 3.16Å; W264-K325 HydrophobicContact CH2-CG 4.49Å; W264-K325 HydrophobicContact CZ3-CG 4.41Å
265S97.4Very high96.1Very high2 Ų217.9 Ų17.91%0.0148%0.084CC..Hα-helixtrans-64.4-34.3-179.659.80000112L198 Y241 A261 D262 I268 T269L198-S265 WeakPolarHBondContact O-CB 3.34Å; Y241-S265 WeakPolarHBondContact O-CB 3.41Å; A261-S265 PolarHBondContact O-N 3.44Å; A261-S265 VanDerWaalsContact O-N 3.08Å; A261-S265 PolarHBondContact O-OG 2.76Å; D262-S265 WeakPolarHBondContact CA-OG 3.36Å; D262-S265 PolarHBondContact O-OG 2.86Å; S265-I268 PolarHBondContact O-N 2.91Å; S265-T269 VanDerWaalsContact O-CB 3.26Å; S265-T269 WeakPolarHBondContact O-CB 3.47Å; S265-T269 PolarHBondContact O-N 2.94Å; S265-T269 PolarHBondContact O-OG1 3.03Å
266L98.7Very high96.4Very high1 Ų117 Ų171%0.0058%0.077CC..Hα-helixtrans-60.6-44.2168178.661.1000112C181 L182 L185 L198 D262 V263 W264 I268 T269 V270 F318C181-L266 HydrophobicContact CB-CD1 3.66Å; C181-L266 HydrophobicContact CB-CD2 4.47Å; L182-L266 HydrophobicContact CD2-CD2 3.58Å; L182-L266 HydrophobicContact CG-CD2 3.79Å; L185-L266 HydrophobicContact CD1-CD2 4.14Å; L198-L266 HydrophobicContact CD2-CB 3.99Å; L198-L266 HydrophobicContact CD2-CD1 4.27Å; D262-L266 WeakPolarHBondContact O-CB 3.49Å; D262-L266 PolarHBondContact O-N 3.3Å; V263-L266 PolarHBondContact O-N 3.31Å; W264-L266 VanDerWaalsContact C-N 3.28Å; W264-L266 PolarHBondContact O-N 3.35Å; L266-I268 PolarHBondContact O-N 2.83Å; L266-T269 WeakPolarHBondContact O-CB 3.26Å; L266-T269 PolarHBondContact O-N 3.05Å; L266-T269 VanDerWaalsContact O-N 3.16Å; L266-V270 HydrophobicContact CD1-CG2 4.05Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 WeakPolarHBondContact O-CG2 3.46Å; L266-V270 PolarHBondContact O-N 2.86Å; L266-F318 HydrophobicContact CD2-CZ 4.42Å
267G98.5Very high96.5Very high0 Ų016.1 Ų16.10%08%0.075CC..Hα-helixtrans-58.9-47.1176.700000112.9V263 W264 T269 V270 L271V263-G267 PolarHBondContact O-N 3.38Å; W264-G267 WeakPolarHBondContact O-CA 3.3Å; W264-G267 PolarHBondContact O-N 3.47Å; G267-T269 VanDerWaalsContact C-N 3.29Å; G267-T269 PolarHBondContact O-N 3.32Å; G267-V270 PolarHBondContact O-N 3.2Å; G267-L271 WeakPolarHBondContact O-CB 3.28Å; G267-L271 PolarHBondContact O-N 3.17Å
268I97.7Very high96.5Very high2 Ų214.2 Ų14.21%0.016%0.064CC..Hα-helixtrans-62.8-39.5175-59.4-61.2000110.6Y241 W264 S265 L266 L271 H272 P279 P302 L323Y241-I268 HydrophobicContact CD1-CB 3.94Å; Y241-I268 HydrophobicContact CD1-CG2 3.46Å; Y241-I268 VanDerWaalsContact CD1-CG2 3.46Å; Y241-I268 HydrophobicContact CE1-CG2 3.82Å; Y241-I268 HydrophobicContact CG-CG2 4.15Å; W264-I268 PolarHBondContact O-N 3.34Å; S265-I268 PolarHBondContact O-N 2.91Å; L266-I268 PolarHBondContact O-N 2.83Å; I268-L271 PolarHBondContact O-N 3.44Å; I268-H272 VanDerWaalsContact O-CB 3.23Å; I268-H272 WeakPolarHBondContact O-CB 3.25Å; I268-H272 PolarHBondContact O-N 2.55Å; I268-P279 HydrophobicContact CG2-CG 4.43Å; I268-P302 HydrophobicContact CD1-CB 4.18Å; I268-P302 HydrophobicContact CD1-CG 3.8Å; I268-L323 HydrophobicContact CD1-CD1 3.88Å; I268-L323 HydrophobicContact CD1-CD2 3.66Å; I268-L323 HydrophobicContact CD1-CG 4.46Å; I268-L323 HydrophobicContact CG1-CD2 3.88Å
269T98.3Very high96.1Very high0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-62.7-49.1178.9-64.20000112.2N199 P200 I203 S265 L266 G267 L271 H272 L273N199-T269 WeakPolarHBondContact CA-OG1 3.33Å; P200-T269 HydrophobicContact CG-CG2 3.99Å; I203-T269 HydrophobicContact CD1-CG2 3.54Å; S265-T269 VanDerWaalsContact O-CB 3.26Å; S265-T269 WeakPolarHBondContact O-CB 3.47Å; S265-T269 PolarHBondContact O-N 2.94Å; S265-T269 PolarHBondContact O-OG1 3.03Å; L266-T269 WeakPolarHBondContact O-CB 3.26Å; L266-T269 PolarHBondContact O-N 3.05Å; L266-T269 VanDerWaalsContact O-N 3.16Å; G267-T269 VanDerWaalsContact C-N 3.29Å; G267-T269 PolarHBondContact O-N 3.32Å; T269-L271 VanDerWaalsContact C-N 3.35Å; T269-L271 PolarHBondContact O-N 3.46Å; T269-H272 PolarHBondContact O-N 2.84Å; T269-L273 HydrophobicContact CG2-CD1 3.96Å; T269-L273 WeakPolarHBondContact O-CB 3.49Å; T269-L273 VanDerWaalsContact O-CG 3.28Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 3.33Å
270V98.5Very high95Very high1 Ų113 Ų131%0.0067%0.069CC..Hα-helixtrans-63-43.9177.7170.60000110.5A178 L266 G267 H272 L273 Y274 L315 F318 V319A178-V270 HydrophobicContact CB-CG2 4.2Å; L266-V270 HydrophobicContact CD1-CG2 4.05Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 WeakPolarHBondContact O-CG2 3.46Å; L266-V270 PolarHBondContact O-N 2.86Å; G267-V270 PolarHBondContact O-N 3.2Å; V270-H272 PolarHBondContact O-N 3.45Å; V270-L273 PolarHBondContact O-N 2.97Å; V270-Y274 WeakPolarHBondContact O-CB 3.38Å; V270-Y274 PolarHBondContact O-N 2.67Å; V270-L315 HydrophobicContact CG1-CD1 3.87Å; V270-F318 HydrophobicContact CB-CE1 4.5Å; V270-F318 HydrophobicContact CG1-CD1 4.37Å; V270-F318 HydrophobicContact CG1-CE1 4.46Å; V270-F318 HydrophobicContact CG2-CE1 4.06Å; V270-V319 HydrophobicContact CG1-CG2 4.29Å
271L97.9Very high93.7Very high0 Ų020.3 Ų20.30%09%0.094CC..Hα-helixtrans-64.3-38.7177.8-177.357.7000112.4G267 I268 T269 Y274 Q275 P279 P302 V304 V319 L323G267-L271 WeakPolarHBondContact O-CB 3.28Å; G267-L271 PolarHBondContact O-N 3.17Å; I268-L271 PolarHBondContact O-N 3.44Å; T269-L271 VanDerWaalsContact C-N 3.35Å; T269-L271 PolarHBondContact O-N 3.46Å; L271-Y274 PolarHBondContact O-N 3.3Å; L271-Q275 HydrophobicContact CD1-CG 4.14Å; L271-Q275 VanDerWaalsContact CD1-NE2 3.26Å; L271-Q275 VanDerWaalsContact CG-NE2 3.31Å; L271-Q275 WeakPolarHBondContact O-CB 3.43Å; L271-Q275 WeakPolarHBondContact O-CG 3.34Å; L271-Q275 PolarHBondContact O-N 3.39Å; L271-P279 HydrophobicContact CD2-CB 4.28Å; L271-P279 HydrophobicContact CD2-CG 3.89Å; L271-P279 HydrophobicContact CG-CG 4.19Å; L271-P302 HydrophobicContact CD2-CB 3.67Å; L271-V304 HydrophobicContact CD1-CG2 3.75Å; L271-V319 HydrophobicContact CB-CG1 4.28Å; L271-V319 HydrophobicContact CB-CG2 4.46Å; L271-V319 HydrophobicContact CD1-CG1 4.44Å; L271-V319 HydrophobicContact CD2-CG1 4.15Å; L271-L323 HydrophobicContact CD2-CD1 4.15Å
272H97.1Very high91.9Very high8 Ų821.9 Ų21.94%0.03711%0.105CC..Hα-helixtrans-63.4-51.6173.8178.8-177000110.7Y241 I268 T269 V270 Y274 Q275 G276 Y277 C278Y241-H272 AromaticContact CZ-ND1 3.81Å; Y241-H272 PolarHBondContact OH-CE1 3.49Å; Y241-H272 VanDerWaalsContact OH-CE1 3.28Å; Y241-H272 PolarHBondContact OH-ND1 3.35Å; I268-H272 VanDerWaalsContact O-CB 3.23Å; I268-H272 WeakPolarHBondContact O-CB 3.25Å; I268-H272 PolarHBondContact O-N 2.55Å; T269-H272 PolarHBondContact O-N 2.84Å; V270-H272 PolarHBondContact O-N 3.45Å; H272-Y274 PolarHBondContact O-N 3.15Å; H272-Q275 PolarHBondContact O-N 3.39Å; H272-G276 WeakPolarHBondContact O-CA 3.42Å; H272-G276 PolarHBondContact O-N 3.46Å; H272-Y277 WeakPolarHBondContact CA-O 3.37Å; H272-Y277 PolarHBondContact CD2-O 2.79Å; H272-C278 PolarHBondContact CD2-N 3.47Å; H272-C278 PolarHBondContact NE2-N 2.74Å
273L97.9Very high89.8Confident0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-61.3-33.9179.7-68.8170.7000112L157 L161 G168 L169 L174 V177 P200 T269 V270L157-L273 HydrophobicContact CB-CD2 3.87Å; L157-L273 HydrophobicContact CD1-CD1 3.77Å; L161-L273 HydrophobicContact CD2-CD2 4.47Å; G168-L273 CarbonylContact C-O 3.5Å; G168-L273 WeakPolarHBondContact CA-O 3.18Å; L169-L273 HydrophobicContact CD1-CB 4.27Å; L169-L273 HydrophobicContact CD1-CD2 4.17Å; L169-L273 HydrophobicContact CG-CB 4.33Å; L169-L273 PolarHBondContact N-O 2.89Å; L174-L273 HydrophobicContact CD2-CB 3.43Å; L174-L273 VanDerWaalsContact CD2-CB 3.43Å; L174-L273 HydrophobicContact CD2-CD1 4.42Å; V177-L273 HydrophobicContact CG1-CD1 4.15Å; P200-L273 HydrophobicContact CB-CD2 4.09Å; P200-L273 HydrophobicContact CG-CD2 4.08Å; P200-L273 HydrophobicContact CG-CG 4.14Å; T269-L273 HydrophobicContact CG2-CD1 3.96Å; T269-L273 WeakPolarHBondContact O-CB 3.49Å; T269-L273 VanDerWaalsContact O-CG 3.28Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 3.33Å; V270-L273 PolarHBondContact O-N 2.97Å
274Y97.8Very high87.7Confident9 Ų931.9 Ų31.94%0.03516%0.163CC..Hα-helixtrans-69.5-48.4175173.5-105.8000113.6G168 L174 V270 L271 H272 G276 V304 D308 R310 A311 L315G168-Y274 WeakPolarHBondContact CA-O 3.37Å; L174-Y274 HydrophobicContact CD1-CD2 3.78Å; L174-Y274 HydrophobicContact CD1-CG 4.17Å; V270-Y274 WeakPolarHBondContact O-CB 3.38Å; V270-Y274 PolarHBondContact O-N 2.67Å; L271-Y274 PolarHBondContact O-N 3.3Å; H272-Y274 PolarHBondContact O-N 3.15Å; Y274-G276 VanDerWaalsContact C-N 3.34Å; Y274-V304 HydrophobicContact CD1-CG2 4.38Å; Y274-V304 HydrophobicContact CE1-CG1 3.92Å; Y274-V304 HydrophobicContact CE1-CG2 4.42Å; Y274-D308 VanDerWaalsContact CE1-OD2 3.25Å; Y274-D308 WeakPolarHBondContact CE1-OD2 3.5Å; Y274-D308 PolarHBondContact OH-OD1 3.45Å; Y274-D308 PolarHBondContact OH-OD2 3.34Å; Y274-R310 PolarHBondContact OH-NH2 3.49Å; Y274-A311 HydrophobicContact CE1-CB 4.24Å; Y274-A311 HydrophobicContact CE2-CB 4.44Å; Y274-A311 WeakPolarHBondContact OH-CB 3.46Å; Y274-A311 PolarHBondContact OH-N 3.44Å; Y274-L315 HydrophobicContact CD1-CD2 4.07Å; Y274-L315 HydrophobicContact CD2-CD2 3.36Å; Y274-L315 HydrophobicContact CE1-CD2 4.3Å; Y274-L315 HydrophobicContact CE2-CD2 3.58Å; Y274-L315 HydrophobicContact CG-CD2 3.64Å
275Q95.3Very high85.6Confident22 Ų2236.8 Ų36.810%0.10320%0.197CC..Hα-helixtrans-77.6-23.9-177.3-70.4-174.192.800112.5L271 H272 Y277L271-Q275 HydrophobicContact CD1-CG 4.14Å; L271-Q275 VanDerWaalsContact CD1-NE2 3.26Å; L271-Q275 VanDerWaalsContact CG-NE2 3.31Å; L271-Q275 WeakPolarHBondContact O-CB 3.43Å; L271-Q275 WeakPolarHBondContact O-CG 3.34Å; L271-Q275 PolarHBondContact O-N 3.39Å; H272-Q275 PolarHBondContact O-N 3.39Å; Q275-Y277 VanDerWaalsContact C-N 3.27Å; Q275-Y277 HydrophobicContact CB-CD1 4.07Å; Q275-Y277 HydrophobicContact CB-CE1 3.83Å; Q275-Y277 HydrophobicContact CB-CE2 4.32Å; Q275-Y277 HydrophobicContact CB-CG 4.45Å; Q275-Y277 WeakPolarHBondContact O-CD1 3.41Å; Q275-Y277 VanDerWaalsContact OE1-CZ 3.32Å; Q275-Y277 PolarHBondContact OE1-OH 3.43Å
276G94.9Very high83.6Confident12 Ų1242.1 Ų42.112%0.12422%0.221CC..SBendtrans82.32.6-172.500000114.4G166 H272 Y274G166-G276 WeakPolarHBondContact O-CA 3.43Å; H272-G276 WeakPolarHBondContact O-CA 3.42Å; H272-G276 PolarHBondContact O-N 3.46Å; Y274-G276 VanDerWaalsContact C-N 3.34Å
277Y91.9Very high82Confident129 Ų12950.5 Ų50.551%0.50625%0.252SS..SBendtrans-145.6152.117359.9-93.5000110.8H272 Q275H272-Y277 WeakPolarHBondContact CA-O 3.37Å; H272-Y277 PolarHBondContact CD2-O 2.79Å; Q275-Y277 VanDerWaalsContact C-N 3.27Å; Q275-Y277 HydrophobicContact CB-CD1 4.07Å; Q275-Y277 HydrophobicContact CB-CE1 3.83Å; Q275-Y277 HydrophobicContact CB-CE2 4.32Å; Q275-Y277 HydrophobicContact CB-CG 4.45Å; Q275-Y277 WeakPolarHBondContact O-CD1 3.41Å; Q275-Y277 VanDerWaalsContact OE1-CZ 3.32Å; Q275-Y277 PolarHBondContact OE1-OH 3.43Å
278C90.7Very high81.1Confident6 Ų654.1 Ų54.14%0.04127%0.274CS..  trans-73.5123.7178.3-179.80000109.8H272 A280 R281H272-C278 PolarHBondContact CD2-N 3.47Å; H272-C278 PolarHBondContact NE2-N 2.74Å; C278-A280 PolarHBondContact O-N 3.4Å; C278-R281 HydrophobicContact CB-CB 4.45Å; C278-R281 HydrophobicContact CB-CG 3.9Å; C278-R281 PolarHBondContact O-N 3.01Å
279P84.1Confident80.3Confident42 Ų4256.9 Ų56.927%0.27329%0.289SS..THydrogen-bonded Turntrans-65.1-28.4-176.326.6-35.5000112.8I268 L271 P302I268-P279 HydrophobicContact CG2-CG 4.43Å; L271-P279 HydrophobicContact CD2-CB 4.28Å; L271-P279 HydrophobicContact CD2-CG 3.89Å; L271-P279 HydrophobicContact CG-CG 4.19Å; P279-P302 HydrophobicContact CB-CB 4.03Å; P279-P302 HydrophobicContact CG-CB 4Å; P279-P302 HydrophobicContact CG-CG 4.47Å
280A73.6Confident79.6Confident21 Ų2163.5 Ų63.517%0.17432%0.32CS..THydrogen-bonded Turntrans-937-177.300000114E240 C278 P282E240-A280 HydrophobicContact CB-CB 4.1Å; E240-A280 WeakPolarHBondContact O-CB 3.28Å; C278-A280 PolarHBondContact O-N 3.4Å; A280-P282 WeakPolarHBondContact O-CD 3.46Å; A280-P282 VanDerWaalsContact O-N 3.15Å
281R67.7Low78.9Confident163 Ų16369.2 Ų69.262%0.61534%0.341SS*.  trans-66.9110.8174.7-95.1179.6-180-139.12.1109.4C278C278-R281 HydrophobicContact CB-CB 4.45Å; C278-R281 HydrophobicContact CB-CG 3.9Å; C278-R281 PolarHBondContact O-N 3.01Å
282P57.1Low78.3Confident35 Ų3570 Ų7023%0.22735%0.345CS..  trans-65144.8177.2-5.519.2000109.4A280 K286 L292A280-P282 WeakPolarHBondContact O-CD 3.46Å; A280-P282 VanDerWaalsContact O-N 3.15Å; P282-K286 HydrophobicContact CB-CB 3.88Å; P282-K286 VanDerWaalsContact CB-O 3.31Å; P282-K286 WeakPolarHBondContact CB-O 3.48Å; P282-L292 HydrophobicContact CG-CD1 4.48Å
283L54.8Low77.7Confident117 Ų11771 Ų7161%0.61335%0.354SS*.  trans-50.9149.2161.8-70.4170.5000109.1S285 K286L283-S285 PolarHBondContact O-N 3.38Å; L283-K286 PolarHBondContact O-N 3.08Å
284P55Low77.2Confident95 Ų9576.9 Ų76.962%0.61738%0.377SS*.G310 helixtrans-48.7-31.3-177.5-2934.4000114.8K286P284-K286 VanDerWaalsContact C-N 3.32Å; P284-K286 PolarHBondContact O-N 2.96Å
285S52.7Low76.8Confident107 Ų10780.8 Ų80.875%0.74840%0.395SS*.G310 helixtrans-75.4-8.6177.456.60000115.8L283L283-S285 PolarHBondContact O-N 3.38Å
286K55.4Low76.5Confident115 Ų11580.7 Ų80.750%0.540%0.395SS..G310 helixtrans-119.821.2-174.2-65.6-173.5176.5-178.80113.5P282 L283 P284 T288P282-K286 HydrophobicContact CB-CB 3.88Å; P282-K286 VanDerWaalsContact CB-O 3.31Å; P282-K286 WeakPolarHBondContact CB-O 3.48Å; L283-K286 PolarHBondContact O-N 3.08Å; P284-K286 VanDerWaalsContact C-N 3.32Å; P284-K286 PolarHBondContact O-N 2.96Å; K286-T288 VanDerWaalsContact C-N 3.35Å; K286-T288 PolarHBondContact O-N 3.45Å
287R65.4Low76.2Confident176 Ų17681.8 Ų81.866%0.66440%0.401SS*.  trans-77.10.7-167.7-75.5-171.7179.5173.53.7117.2L289R287-L289 PolarHBondContact O-N 3.24Å
288T80.2Confident76.1Confident77 Ų7781.6 Ų81.647%0.47240%0.404SS..  trans-68.5133.1-179.5-43.20000110.7K286 E290 R291 L292K286-T288 VanDerWaalsContact C-N 3.35Å; K286-T288 PolarHBondContact O-N 3.45Å; T288-E290 HydrophobicContact CG2-CB 4.07Å; T288-E290 HydrophobicContact CG2-CG 4.19Å; T288-E290 PolarHBondContact O-N 2.96Å; T288-R291 PolarHBondContact O-N 3.47Å; T288-L292 PolarHBondContact O-N 3.44Å
289L79.7Confident76.1Confident60 Ų6082 Ų8231%0.31441%0.409SS..Hα-helixtrans-55.3-35.4176.2-68.5-175.1000112.7H35 P239 R287 R291 L292 S293H35-L289 HydrophobicContact CB-CD1 3.21Å; H35-L289 HydrophobicContact CB-CG 4.34Å; P239-L289 HydrophobicContact CB-CD2 3.9Å; P239-L289 HydrophobicContact CG-CD2 3.51Å; R287-L289 PolarHBondContact O-N 3.24Å; L289-R291 VanDerWaalsContact C-N 3.32Å; L289-R291 PolarHBondContact O-N 2.86Å; L289-L292 PolarHBondContact O-N 3.16Å; L289-S293 WeakPolarHBondContact O-CB 3.48Å; L289-S293 PolarHBondContact O-N 3.48Å
290E83Confident76.4Confident139 Ų13988.3 Ų88.365%0.6544%0.435SS*.Hα-helixtrans-59.3-42.7174.6-62-179.116400112.1T288 Y294T288-E290 HydrophobicContact CG2-CB 4.07Å; T288-E290 HydrophobicContact CG2-CG 4.19Å; T288-E290 PolarHBondContact O-N 2.96Å; E290-Y294 VanDerWaalsContact O-CB 3.32Å; E290-Y294 WeakPolarHBondContact O-CB 3.08Å; E290-Y294 PolarHBondContact O-N 2.98Å
291R84.1Confident77.3Confident121 Ų12189.2 Ų89.246%0.45744%0.439SS..Hα-helixtrans-71.5-41.5-179.9-17862.7-167-166.48.2111.4T288 L289 Y294 E295T288-R291 PolarHBondContact O-N 3.47Å; L289-R291 VanDerWaalsContact C-N 3.32Å; L289-R291 PolarHBondContact O-N 2.86Å; R291-Y294 WeakPolarHBondContact O-CB 3.41Å; R291-Y294 PolarHBondContact O-N 3.03Å; R291-E295 IonicContact NH2-OE2 3.54Å; R291-E295 WeakPolarHBondContact O-CB 3.35Å; R291-E295 PolarHBondContact O-N 2.82Å
292L85.3Confident78.6Confident16 Ų1683.1 Ų83.18%0.08442%0.421CS..Hα-helixtrans-63.3-46.4175.6179.858.6000111P239 E240 P282 T288 L289 Y294 E295 I296P239-L292 HydrophobicContact CB-CD2 3.47Å; P239-L292 VanDerWaalsContact CB-CD2 3.47Å; E240-L292 HydrophobicContact CG-CD2 4.3Å; P282-L292 HydrophobicContact CG-CD1 4.48Å; T288-L292 PolarHBondContact O-N 3.44Å; L289-L292 PolarHBondContact O-N 3.16Å; L292-Y294 VanDerWaalsContact C-N 3.3Å; L292-Y294 PolarHBondContact O-N 2.91Å; L292-E295 PolarHBondContact O-N 3.5Å; L292-E295 VanDerWaalsContact O-N 3.16Å; L292-I296 HydrophobicContact CD1-CD1 3.95Å; L292-I296 HydrophobicContact CD1-CG1 4.2Å; L292-I296 HydrophobicContact CG-CD1 3.84Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.24Å; L292-I296 PolarHBondContact O-N 3Å
293S85Confident80.4Confident30 Ų3085.1 Ų85.121%0.2144%0.435CS..Hα-helixtrans-57.2-42.8173.8176.40000111.9C247 L289 S297C247-S293 WeakPolarHBondContact CB-OG 3.48Å; L289-S293 WeakPolarHBondContact O-CB 3.48Å; L289-S293 PolarHBondContact O-N 3.48Å; S293-S297 VanDerWaalsContact O-CB 3.24Å; S293-S297 WeakPolarHBondContact O-CB 3.41Å; S293-S297 PolarHBondContact O-N 2.8Å; S293-S297 PolarHBondContact O-OG 3.33Å
294Y87.6Confident82.4Confident123 Ų12379.7 Ų79.748%0.48241%0.407SS..Hα-helixtrans-62.2-45.4175-177.3-89.2000112.1E290 R291 L292 S297 H298E290-Y294 VanDerWaalsContact O-CB 3.32Å; E290-Y294 WeakPolarHBondContact O-CB 3.08Å; E290-Y294 PolarHBondContact O-N 2.98Å; R291-Y294 WeakPolarHBondContact O-CB 3.41Å; R291-Y294 PolarHBondContact O-N 3.03Å; L292-Y294 VanDerWaalsContact C-N 3.3Å; L292-Y294 PolarHBondContact O-N 2.91Å; Y294-S297 PolarHBondContact O-N 3.41Å; Y294-H298 AromaticContact CD2-CE1 3.85Å; Y294-H298 AromaticContact CD2-ND1 3.42Å; Y294-H298 WeakPolarHBondContact CD2-ND1 3.23Å; Y294-H298 HydrophobicContact CE1-CB 4.19Å; Y294-H298 HydrophobicContact CE2-CB 4.49Å; Y294-H298 AromaticContact CE2-CE1 3.92Å; Y294-H298 AromaticContact CE2-CG 4Å; Y294-H298 AromaticContact CE2-ND1 3.53Å; Y294-H298 AromaticContact CG-ND1 3.86Å; Y294-H298 WeakPolarHBondContact O-CB 3.38Å; Y294-H298 PolarHBondContact O-N 3.28Å; Y294-H298 PolarHBondContact O-ND1 3Å; Y294-H298 VanDerWaalsContact O-ND1 3.08Å
295E88.7Confident84.2Confident91 Ų9177.2 Ų77.243%0.42539%0.391SS..Hα-helixtrans-64.2-46.6179-165.568.7-145.700111.4R291 L292 S297 H298 G299R291-E295 IonicContact NH2-OE2 3.54Å; R291-E295 WeakPolarHBondContact O-CB 3.35Å; R291-E295 PolarHBondContact O-N 2.82Å; L292-E295 PolarHBondContact O-N 3.5Å; L292-E295 VanDerWaalsContact O-N 3.16Å; E295-S297 VanDerWaalsContact C-N 3.27Å; E295-S297 PolarHBondContact O-N 3.28Å; E295-H298 PolarHBondContact O-N 3.28Å; E295-G299 VanDerWaalsContact O-CA 3.27Å; E295-G299 WeakPolarHBondContact O-CA 3.42Å; E295-G299 PolarHBondContact O-N 3.45Å
296I89.9Confident86.1Confident20 Ų2078.8 Ų78.810%0.10339%0.391CS..Hα-helixtrans-59.2-42.8176.1-66.9167.1000110.3P239 M242 P244 W264 L292 K325P239-I296 WeakPolarHBondContact O-CD1 3.24Å; M242-I296 HydrophobicContact CB-CD1 4.42Å; M242-I296 WeakPolarHBondContact O-CG2 3.38Å; P244-I296 HydrophobicContact CB-CG2 4.33Å; P244-I296 HydrophobicContact CG-CG2 4Å; W264-I296 HydrophobicContact CZ2-CG2 4.34Å; L292-I296 HydrophobicContact CD1-CD1 3.95Å; L292-I296 HydrophobicContact CD1-CG1 4.2Å; L292-I296 HydrophobicContact CG-CD1 3.84Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.24Å; L292-I296 PolarHBondContact O-N 3Å; I296-K325 WeakPolarHBondContact O-CE 3.43Å
297S89.1Confident87.9Confident35 Ų3580.8 Ų80.825%0.24540%0.402CS..Hα-helixtrans-73.1-40.3-178-58.40000112.8C247 S293 Y294 E295 K325C247-S297 WeakPolarHBondContact CB-OG 3.36Å; S293-S297 VanDerWaalsContact O-CB 3.24Å; S293-S297 WeakPolarHBondContact O-CB 3.41Å; S293-S297 PolarHBondContact O-N 2.8Å; S293-S297 PolarHBondContact O-OG 3.33Å; Y294-S297 PolarHBondContact O-N 3.41Å; E295-S297 VanDerWaalsContact C-N 3.27Å; E295-S297 PolarHBondContact O-N 3.28Å; S297-K325 VanDerWaalsContact C-NZ 3.3Å; S297-K325 PolarHBondContact O-NZ 3.27Å
298H89.3Confident89.3Confident124 Ų12473.5 Ų73.557%0.57438%0.377SS*.Hα-helixtrans-118.7-25.1-167.1-55.393.6000115.4Y294 E295 K325Y294-H298 AromaticContact CD2-CE1 3.85Å; Y294-H298 AromaticContact CD2-ND1 3.42Å; Y294-H298 WeakPolarHBondContact CD2-ND1 3.23Å; Y294-H298 HydrophobicContact CE1-CB 4.19Å; Y294-H298 HydrophobicContact CE2-CB 4.49Å; Y294-H298 AromaticContact CE2-CE1 3.92Å; Y294-H298 AromaticContact CE2-CG 4Å; Y294-H298 AromaticContact CE2-ND1 3.53Å; Y294-H298 AromaticContact CG-ND1 3.86Å; Y294-H298 WeakPolarHBondContact O-CB 3.38Å; Y294-H298 PolarHBondContact O-N 3.28Å; Y294-H298 PolarHBondContact O-ND1 3Å; Y294-H298 VanDerWaalsContact O-ND1 3.08Å; E295-H298 PolarHBondContact O-N 3.28Å; H298-K325 PolarHBondContact O-NZ 3.24Å
299G89.9Confident89.9Confident14 Ų1476.3 Ų76.314%0.14439%0.394CS..SBendtrans-77.7167.2178.700000113.8E295 K325E295-G299 VanDerWaalsContact O-CA 3.27Å; E295-G299 WeakPolarHBondContact O-CA 3.42Å; E295-G299 PolarHBondContact O-N 3.45Å; G299-K325 WeakPolarHBondContact O-CE 3.42Å; G299-K325 PolarHBondContact O-NZ 3.35Å
300E91.4Very high90.6Very high176 Ų17681.5 Ų81.582%0.82241%0.409SS*.PPolyproline II helixtrans-61.1140.4178.4-72.7-63.6133.400111.4
301P92.9Very high91.3Very high40 Ų4075.4 Ų75.426%0.2638%0.382SS..PPolyproline II helixtrans-61.2140.5175.326.9-32.6000109.9W264 S303 L323W264-P301 HydrophobicContact CH2-CB 4.33Å; P301-S303 PolarHBondContact O-N 3.1Å; P301-L323 HydrophobicContact CB-CB 4.38Å; P301-L323 WeakPolarHBondContact CB-O 3.46Å
302P94Very high91.9Very high34 Ų3471 Ų7122%0.22137%0.37CS..PPolyproline II helixtrans-55.5139.5175.6-2736.2000111.6I268 L271 P279 L323I268-P302 HydrophobicContact CD1-CB 4.18Å; I268-P302 HydrophobicContact CD1-CG 3.8Å; L271-P302 HydrophobicContact CD2-CB 3.67Å; P279-P302 HydrophobicContact CB-CB 4.03Å; P279-P302 HydrophobicContact CG-CB 4Å; P279-P302 HydrophobicContact CG-CG 4.47Å; P302-L323 HydrophobicContact CB-CD1 4.15Å; P302-L323 WeakPolarHBondContact O-CD1 3.43Å
303S95.7Very high92.5Very high77 Ų7776.2 Ų76.254%0.53840%0.397SS..  trans-140.2170.617764.60000109.9P301P301-S303 PolarHBondContact O-N 3.1Å
304V95.5Very high93.2Very high4 Ų478.5 Ų78.52%0.02440%0.404CS..  trans-70127.3167-1800000108L271 Y274 D306 D308 A311 R316L271-V304 HydrophobicContact CD1-CG2 3.75Å; Y274-V304 HydrophobicContact CD1-CG2 4.38Å; Y274-V304 HydrophobicContact CE1-CG1 3.92Å; Y274-V304 HydrophobicContact CE1-CG2 4.42Å; V304-D306 PolarHBondContact O-N 2.9Å; V304-D308 HydrophobicContact CG1-CB 4.16Å; V304-A311 HydrophobicContact CG1-CB 3.56Å; V304-R316 HydrophobicContact CB-CG 4.16Å; V304-R316 HydrophobicContact CG2-CG 4.36Å; V304-R316 PolarHBondContact O-NH1 3.11Å; V304-R316 VanDerWaalsContact O-NH1 3.15Å
305P93.3Very high93.7Very high43 Ų4372.7 Ų72.728%0.27938%0.381SS..  trans-53.1138.3177.9-25.934.2000112E307 D308 R316P305-E307 WeakPolarHBondContact CB-OE2 3.43Å; P305-E307 PolarHBondContact O-N 2.81Å; P305-D308 WeakPolarHBondContact O-CB 3.19Å; P305-D308 PolarHBondContact O-N 3.16Å; P305-R316 PolarHBondContact O-NH1 3.14Å; P305-R316 PolarHBondContact O-NH2 3.12Å
306D93Very high94.1Very high139 Ų13970.9 Ų70.974%0.74337%0.371SS*.THydrogen-bonded Turntrans-63.3-26.8-177-71.6-26.2000112.4V304 D308 R316V304-D306 PolarHBondContact O-N 2.9Å; D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 3.23Å; D306-R316 IonicContact OD1-NH1 3.01Å
307E93.4Very high94.5Very high158 Ų15871.2 Ų71.274%0.73838%0.379SS*.THydrogen-bonded Turntrans-75.8-15.3177.9-47.383.4-178.900113.1P305 T309P305-E307 WeakPolarHBondContact CB-OE2 3.43Å; P305-E307 PolarHBondContact O-N 2.81Å; E307-T309 PolarHBondContact O-N 3.06Å
308D94.2Very high95Very high23 Ų2369.5 Ų69.512%0.12337%0.367CS..  trans-79.485.8-179.7-166.7-0.8000111.6Y274 V304 P305 D306 R310 A311 R316Y274-D308 VanDerWaalsContact CE1-OD2 3.25Å; Y274-D308 WeakPolarHBondContact CE1-OD2 3.5Å; Y274-D308 PolarHBondContact OH-OD1 3.45Å; Y274-D308 PolarHBondContact OH-OD2 3.34Å; V304-D308 HydrophobicContact CG1-CB 4.16Å; P305-D308 WeakPolarHBondContact O-CB 3.19Å; P305-D308 PolarHBondContact O-N 3.16Å; D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 3.23Å; D308-R310 PolarHBondContact O-N 3.17Å; D308-R310 VanDerWaalsContact O-N 3.16Å; D308-R310 WeakPolarHBondContact OD1-CB 3.13Å; D308-R310 IonicContact OD1-CZ 3.33Å; D308-R310 PolarHBondContact OD1-N 2.8Å; D308-R310 IonicContact OD1-NE 3.72Å; D308-R310 PolarHBondContact OD1-NE 2.92Å; D308-R310 IonicContact OD1-NH2 2.68Å; D308-R310 PolarHBondContact OD1-NH2 3.42Å; D308-R310 IonicContact OD2-CZ 2.7Å; D308-R310 IonicContact OD2-NE 3.09Å; D308-R310 IonicContact OD2-NH2 3.87Å; D308-R310 PolarHBondContact OD2-NH2 3.28Å; D308-A311 PolarHBondContact O-N 3.42Å; D308-R316 PolarHBondContact O-NH2 2.98Å
309T92.8Very high95.4Very high135 Ų13563.7 Ų63.783%0.82834%0.341SS*.THydrogen-bonded Turntrans-69.5-5.6-179.557.90000114.3E307 A311E307-T309 PolarHBondContact O-N 3.06Å; T309-A311 VanDerWaalsContact C-N 3.34Å
310R94.7Very high95.8Very high169 Ų16966.2 Ų66.264%0.63836%0.356SS*.THydrogen-bonded Turntrans-78-23.2176.5-57173-60.6131.54.2112.4Y274 D308Y274-R310 PolarHBondContact OH-NH2 3.49Å; D308-R310 PolarHBondContact O-N 3.17Å; D308-R310 VanDerWaalsContact O-N 3.16Å; D308-R310 WeakPolarHBondContact OD1-CB 3.13Å; D308-R310 IonicContact OD1-CZ 3.33Å; D308-R310 PolarHBondContact OD1-N 2.8Å; D308-R310 IonicContact OD1-NE 3.72Å; D308-R310 PolarHBondContact OD1-NE 2.92Å; D308-R310 IonicContact OD1-NH2 2.68Å; D308-R310 PolarHBondContact OD1-NH2 3.42Å; D308-R310 IonicContact OD2-CZ 2.7Å; D308-R310 IonicContact OD2-NE 3.09Å; D308-R310 IonicContact OD2-NH2 3.87Å; D308-R310 PolarHBondContact OD2-NH2 3.28Å
311A97.1Very high96.2Very high11 Ų1159 Ų599%0.09133%0.326CS..SBendtrans-78.8127.5-178.500000111.4E171 Y274 V304 D308 T309 L315 R316E171-A311 VanDerWaalsContact OE1-CA 3.26Å; E171-A311 WeakPolarHBondContact OE1-CA 3.48Å; Y274-A311 HydrophobicContact CE1-CB 4.24Å; Y274-A311 HydrophobicContact CE2-CB 4.44Å; Y274-A311 WeakPolarHBondContact OH-CB 3.46Å; Y274-A311 PolarHBondContact OH-N 3.44Å; V304-A311 HydrophobicContact CG1-CB 3.56Å; D308-A311 PolarHBondContact O-N 3.42Å; T309-A311 VanDerWaalsContact C-N 3.34Å; A311-L315 HydrophobicContact CB-CD2 4.18Å; A311-R316 HydrophobicContact CB-CG 4.22Å
312S97.8Very high96.4Very high29 Ų2957 Ų5720%0.20331%0.314CS..  trans-66.4160.6173.268.30000112.3E171 E314 L315 R316E171-S312 VanDerWaalsContact CD-OG 3.32Å; E171-S312 PolarHBondContact OE1-N 3.36Å; E171-S312 PolarHBondContact OE1-OG 2.86Å; E171-S312 WeakPolarHBondContact OE2-CB 3.31Å; E171-S312 PolarHBondContact OE2-OG 3.33Å; S312-E314 VanDerWaalsContact CB-OE2 3.31Å; S312-E314 WeakPolarHBondContact CB-OE2 3.3Å; S312-E314 PolarHBondContact O-N 2.94Å; S312-L315 PolarHBondContact O-N 2.98Å; S312-L315 WeakPolarHBondContact OG-CB 3.31Å; S312-L315 PolarHBondContact OG-N 2.88Å; S312-R316 WeakPolarHBondContact O-CG 3.39Å; S312-R316 PolarHBondContact O-N 2.82Å; S312-R316 VanDerWaalsContact O-N 3.12Å
313I97.7Very high96.6Very high125 Ų12555.6 Ų55.664%0.64130%0.304SS*.Hα-helixtrans-65.4-31174.2-171.963.2000110.6G317I313-G317 PolarHBondContact O-N 3.26Å
314E98.4Very high96.7Very high79 Ų7954.8 Ų54.837%0.36929%0.292SS..Hα-helixtrans-67-47.3177-64.673.6-160.300111.3S312 G317 F318 H339 P340 F341S312-E314 VanDerWaalsContact CB-OE2 3.31Å; S312-E314 WeakPolarHBondContact CB-OE2 3.3Å; S312-E314 PolarHBondContact O-N 2.94Å; E314-G317 PolarHBondContact O-N 3.09Å; E314-F318 WeakPolarHBondContact O-CB 3.4Å; E314-F318 PolarHBondContact O-N 2.77Å; E314-H339 PolarHBondContact O-CE1 2.84Å; E314-H339 VanDerWaalsContact O-CE1 3.24Å; E314-P340 HydrophobicContact CG-CB 4Å; E314-F341 HydrophobicContact CB-CB 3.99Å; E314-F341 HydrophobicContact CB-CD2 4.09Å
315L98.5Very high96.6Very high0 Ų057.7 Ų57.70%030%0.304CS..Hα-helixtrans-61.6-46.4175.9174.964.2000111.1E171 V270 Y274 A311 S312 G317 F318 V319 F341E171-L315 HydrophobicContact CG-CD2 4.09Å; E171-L315 WeakPolarHBondContact OE1-CD2 3.4Å; V270-L315 HydrophobicContact CG1-CD1 3.87Å; Y274-L315 HydrophobicContact CD1-CD2 4.07Å; Y274-L315 HydrophobicContact CD2-CD2 3.36Å; Y274-L315 HydrophobicContact CE1-CD2 4.3Å; Y274-L315 HydrophobicContact CE2-CD2 3.58Å; Y274-L315 HydrophobicContact CG-CD2 3.64Å; A311-L315 HydrophobicContact CB-CD2 4.18Å; S312-L315 PolarHBondContact O-N 2.98Å; S312-L315 WeakPolarHBondContact OG-CB 3.31Å; S312-L315 PolarHBondContact OG-N 2.88Å; L315-G317 VanDerWaalsContact C-N 3.33Å; L315-G317 PolarHBondContact O-N 3.4Å; L315-F318 PolarHBondContact O-N 2.92Å; L315-V319 HydrophobicContact CD1-CG2 4.07Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 3.21Å; L315-F341 HydrophobicContact CB-CD2 4.02Å; L315-F341 HydrophobicContact CB-CE2 3.78Å; L315-F341 HydrophobicContact CB-CZ 4.43Å; L315-F341 HydrophobicContact CD1-CE1 4.11Å; L315-F341 HydrophobicContact CD1-CE2 3.9Å; L315-F341 HydrophobicContact CD1-CZ 3.65Å; L315-F341 HydrophobicContact CG-CE2 4.4Å
316R98.4Very high96.6Very high53 Ų5358.5 Ų58.520%0.231%0.31CS..Hα-helixtrans-58.5-46177.3-72.5175.5177.5-85.4-3111.4V304 P305 D306 D308 A311 S312 S320V304-R316 HydrophobicContact CB-CG 4.16Å; V304-R316 HydrophobicContact CG2-CG 4.36Å; V304-R316 PolarHBondContact O-NH1 3.11Å; V304-R316 VanDerWaalsContact O-NH1 3.15Å; P305-R316 PolarHBondContact O-NH1 3.14Å; P305-R316 PolarHBondContact O-NH2 3.12Å; D306-R316 IonicContact OD1-NH1 3.01Å; D308-R316 PolarHBondContact O-NH2 2.98Å; A311-R316 HydrophobicContact CB-CG 4.22Å; S312-R316 WeakPolarHBondContact O-CG 3.39Å; S312-R316 PolarHBondContact O-N 2.82Å; S312-R316 VanDerWaalsContact O-N 3.12Å; R316-S320 VanDerWaalsContact O-CB 3.26Å; R316-S320 WeakPolarHBondContact O-CB 3.36Å; R316-S320 PolarHBondContact O-N 2.88Å
317G98.3Very high96.7Very high27 Ų2753 Ų5328%0.27828%0.282SS..Hα-helixtrans-60.4-44.3175.900000112.5I313 E314 L315 S320 A321 H339I313-G317 PolarHBondContact O-N 3.26Å; E314-G317 PolarHBondContact O-N 3.09Å; L315-G317 VanDerWaalsContact C-N 3.33Å; L315-G317 PolarHBondContact O-N 3.4Å; G317-S320 PolarHBondContact O-N 3.25Å; G317-A321 WeakPolarHBondContact O-CB 3.11Å; G317-A321 PolarHBondContact O-N 3.1Å; G317-H339 VanDerWaalsContact C-NE2 3.31Å
318F98.8Very high96.7Very high0 Ų049.5 Ų49.50%027%0.273CS..Hα-helixtrans-64.3-48.2-179.2-177.4-90.2000111.9A178 L182 L266 V270 E314 L315 S320 A321 C322 L336 H339 F341 V342A178-F318 HydrophobicContact CB-CE1 4.22Å; A178-F318 HydrophobicContact CB-CZ 3.95Å; L182-F318 HydrophobicContact CD1-CE2 3.92Å; L182-F318 HydrophobicContact CD1-CZ 4.05Å; L266-F318 HydrophobicContact CD2-CZ 4.42Å; V270-F318 HydrophobicContact CB-CE1 4.5Å; V270-F318 HydrophobicContact CG1-CD1 4.37Å; V270-F318 HydrophobicContact CG1-CE1 4.46Å; V270-F318 HydrophobicContact CG2-CE1 4.06Å; E314-F318 WeakPolarHBondContact O-CB 3.4Å; E314-F318 PolarHBondContact O-N 2.77Å; L315-F318 PolarHBondContact O-N 2.92Å; F318-S320 VanDerWaalsContact C-N 3.35Å; F318-A321 PolarHBondContact O-N 3.31Å; F318-C322 PolarHBondContact O-N 3.01Å; F318-C322 VanDerWaalsContact O-N 3.11Å; F318-C322 PolarHBondContact O-SG 3.28Å; F318-L336 HydrophobicContact CD2-CD2 4.01Å; F318-L336 HydrophobicContact CE2-CB 4.13Å; F318-L336 HydrophobicContact CE2-CD2 3.81Å; F318-L336 HydrophobicContact CE2-CG 4.45Å; F318-L336 HydrophobicContact CZ-CD2 4.36Å; F318-H339 HydrophobicContact CD2-CB 4.14Å; F318-H339 AromaticContact CD2-CG 3.94Å; F318-H339 AromaticContact CD2-ND1 3.83Å; F318-H339 PolarHBondContact N-CE1 3.47Å; F318-H339 PolarHBondContact N-NE2 2.65Å; F318-F341 HydrophobicContact CB-CB 3.79Å; F318-F341 HydrophobicContact CB-CD1 3.92Å; F318-F341 HydrophobicContact CB-CG 3.99Å; F318-F341 HydrophobicContact CD1-CD1 4.06Å; F318-F341 HydrophobicContact CD1-CE1 4.48Å; F318-F341 HydrophobicContact CD2-CB 4.17Å; F318-F341 AromaticContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CG-CB 4.2Å; F318-F341 AromaticContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CG 4.24Å; F318-V342 HydrophobicContact CD2-CG2 4.1Å; F318-V342 HydrophobicContact CE2-CG2 3.64Å; F318-V342 HydrophobicContact CZ-CG2 4.36Å
319V98.5Very high96.8Very high2 Ų252.4 Ų52.41%0.01229%0.292CS..Hα-helixtrans-62-44.9177.6171.80000110.2V270 L271 L315 A321 C322 L323V270-V319 HydrophobicContact CG1-CG2 4.29Å; L271-V319 HydrophobicContact CB-CG1 4.28Å; L271-V319 HydrophobicContact CB-CG2 4.46Å; L271-V319 HydrophobicContact CD1-CG1 4.44Å; L271-V319 HydrophobicContact CD2-CG1 4.15Å; L315-V319 HydrophobicContact CD1-CG2 4.07Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 3.21Å; V319-A321 VanDerWaalsContact C-N 3.35Å; V319-A321 PolarHBondContact O-N 3.24Å; V319-C322 PolarHBondContact O-N 3.43Å; V319-L323 HydrophobicContact CG1-CD1 3.66Å; V319-L323 HydrophobicContact CG1-CG 4.29Å; V319-L323 WeakPolarHBondContact O-CB 3.42Å; V319-L323 WeakPolarHBondContact O-CG 3.37Å; V319-L323 PolarHBondContact O-N 3.24Å
320S98.1Very high97.1Very high66 Ų6646.2 Ų46.246%0.46225%0.254SS..Hα-helixtrans-60.9-41.3177.1-177.40000112.5R316 G317 F318 C322 L323 Q324R316-S320 VanDerWaalsContact O-CB 3.26Å; R316-S320 WeakPolarHBondContact O-CB 3.36Å; R316-S320 PolarHBondContact O-N 2.88Å; G317-S320 PolarHBondContact O-N 3.25Å; F318-S320 VanDerWaalsContact C-N 3.35Å; S320-C322 VanDerWaalsContact C-N 3.3Å; S320-C322 PolarHBondContact O-N 3.37Å; S320-L323 PolarHBondContact O-N 3.12Å; S320-Q324 WeakPolarHBondContact O-CG 3.46Å; S320-Q324 PolarHBondContact O-NE2 3.16Å
321A98.5Very high97.2Very high24 Ų2438.9 Ų38.920%0.19823%0.229CC..Hα-helixtrans-64.3-34176.900000112.7G317 F318 V319 A331 L336G317-A321 WeakPolarHBondContact O-CB 3.11Å; G317-A321 PolarHBondContact O-N 3.1Å; F318-A321 PolarHBondContact O-N 3.31Å; V319-A321 VanDerWaalsContact C-N 3.35Å; V319-A321 PolarHBondContact O-N 3.24Å; A321-A331 HydrophobicContact CB-CB 3.97Å; A321-A331 PolarHBondContact O-N 3.09Å; A321-L336 HydrophobicContact CB-CD2 3.93Å
322C98.6Very high97.3Very high0 Ų040.8 Ų40.80%024%0.24CC..Hα-helixtrans-76.7-40.3175.8-63.20000112.9V263 F318 V319 S320 Q324 R330 L336V263-C322 HydrophobicContact CG1-CB 4.08Å; F318-C322 PolarHBondContact O-N 3.01Å; F318-C322 VanDerWaalsContact O-N 3.11Å; F318-C322 PolarHBondContact O-SG 3.28Å; V319-C322 PolarHBondContact O-N 3.43Å; S320-C322 VanDerWaalsContact C-N 3.3Å; S320-C322 PolarHBondContact O-N 3.37Å; C322-Q324 VanDerWaalsContact C-N 3.31Å; C322-Q324 PolarHBondContact O-N 3.34Å; C322-R330 WeakPolarHBondContact O-CD 3.46Å; C322-R330 WeakPolarHBondContact O-CG 3.38Å; C322-L336 VanDerWaalsContact SG-CD1 3.59Å
323L97.7Very high97.3Very high3 Ų340 Ų402%0.01623%0.233CC..  trans-96.240.5-169.3-59.9-176.6000113.2W264 I268 L271 P301 P302 V319 S320W264-L323 HydrophobicContact CD2-CD2 3.85Å; W264-L323 HydrophobicContact CE3-CD2 4.03Å; W264-L323 HydrophobicContact CG-CD2 4.2Å; W264-L323 HydrophobicContact CZ3-CB 4.46Å; W264-L323 HydrophobicContact CZ3-CD2 4.46Å; W264-L323 WeakPolarHBondContact O-CD2 3.16Å; I268-L323 HydrophobicContact CD1-CD1 3.88Å; I268-L323 HydrophobicContact CD1-CD2 3.66Å; I268-L323 HydrophobicContact CD1-CG 4.46Å; I268-L323 HydrophobicContact CG1-CD2 3.88Å; L271-L323 HydrophobicContact CD2-CD1 4.15Å; P301-L323 HydrophobicContact CB-CB 4.38Å; P301-L323 WeakPolarHBondContact CB-O 3.46Å; P302-L323 HydrophobicContact CB-CD1 4.15Å; P302-L323 WeakPolarHBondContact O-CD1 3.43Å; V319-L323 HydrophobicContact CG1-CD1 3.66Å; V319-L323 HydrophobicContact CG1-CG 4.29Å; V319-L323 WeakPolarHBondContact O-CB 3.42Å; V319-L323 WeakPolarHBondContact O-CG 3.37Å; V319-L323 PolarHBondContact O-N 3.24Å; S320-L323 PolarHBondContact O-N 3.12Å
324Q97.3Very high97.4Very high61 Ų6136.9 Ų36.929%0.28523%0.227SC..  trans-82.9126.9170-64.1-64.7-50.500110.6S320 C322 T329 R330S320-Q324 WeakPolarHBondContact O-CG 3.46Å; S320-Q324 PolarHBondContact O-NE2 3.16Å; C322-Q324 VanDerWaalsContact C-N 3.31Å; C322-Q324 PolarHBondContact O-N 3.34Å; Q324-T329 PolarHBondContact OE1-OG1 3.32Å; Q324-R330 HydrophobicContact CB-CB 3.85Å; Q324-R330 HydrophobicContact CB-CG 4.23Å; Q324-R330 PolarHBondContact O-NE 2.75Å; Q324-R330 PolarHBondContact O-NH2 3.27Å
325K94Very high97.4Very high64 Ų6438.6 Ų38.628%0.27824%0.235SC..SBendtrans-64.8-44176.3-74.2-167.5167.4-171.50112.9P244 W264 I296 S297 H298 G299 V327P244-K325 HydrophobicContact CG-CG 4.13Å; W264-K325 HydrophobicContact CH2-CG 4.49Å; W264-K325 HydrophobicContact CZ3-CG 4.41Å; I296-K325 WeakPolarHBondContact O-CE 3.43Å; S297-K325 VanDerWaalsContact C-NZ 3.3Å; S297-K325 PolarHBondContact O-NZ 3.27Å; H298-K325 PolarHBondContact O-NZ 3.24Å; G299-K325 WeakPolarHBondContact O-CE 3.42Å; G299-K325 PolarHBondContact O-NZ 3.35Å; K325-V327 PolarHBondContact O-N 3.41Å
326C93.2Very high97.4Very high61 Ų6138.6 Ų38.641%0.41224%0.235SC..SBendtrans-71.4120.6172.8-1660000109.5C328 T329 R330C326-C328 HydrophobicContact CB-CB 4.48Å; C326-C328 WeakPolarHBondContact CB-SG 3.35Å; C326-C328 PolarHBondContact O-N 3.44Å; C326-C328 WeakPolarHBondContact SG-CB 3.5Å; C326-C328 PolarHBondContact SG-N 2.9Å; C326-C328 VanDerWaalsContact SG-N 3.35Å; C326-C328 CovalentContact SG-SG 2.06Å; C326-C328 PolarHBondContact SG-SG 2.98Å; C326-T329 HydrophobicContact CB-CG2 4.43Å; C326-T329 PolarHBondContact O-N 3.19Å; C326-T329 PolarHBondContact O-OG1 3.11Å; C326-R330 PolarHBondContact O-N 2.99Å
327V94.3Very high97.4Very high23 Ų2337.8 Ų37.814%0.13923%0.234CC..THydrogen-bonded Turntrans-55.5-25.2169.71720000112.1E245 R256 V257 A260 K325E245-V327 HydrophobicContact CB-CG2 4.42Å; E245-V327 HydrophobicContact CG-CG2 4.16Å; R256-V327 HydrophobicContact CG-CG1 4.34Å; V257-V327 HydrophobicContact CG1-CG2 4.45Å; V257-V327 HydrophobicContact CG2-CG1 4.25Å; A260-V327 HydrophobicContact CB-CB 4.5Å; A260-V327 HydrophobicContact CB-CG1 3.74Å; A260-V327 HydrophobicContact CB-CG2 4.33Å; K325-V327 PolarHBondContact O-N 3.41Å
328C93.7Very high97.4Very high84 Ų8442.6 Ų42.657%0.56825%0.254SS*.THydrogen-bonded Turntrans-69.4-34.6177.365.90000113.6R256 C326R256-C328 PolarHBondContact NH2-O 2.95Å; C326-C328 HydrophobicContact CB-CB 4.48Å; C326-C328 WeakPolarHBondContact CB-SG 3.35Å; C326-C328 PolarHBondContact O-N 3.44Å; C326-C328 WeakPolarHBondContact SG-CB 3.5Å; C326-C328 PolarHBondContact SG-N 2.9Å; C326-C328 VanDerWaalsContact SG-N 3.35Å; C326-C328 CovalentContact SG-SG 2.06Å; C326-C328 PolarHBondContact SG-SG 2.98Å
329T96.6Very high97.4Very high84 Ų8444.2 Ų44.252%0.51526%0.261SS..THydrogen-bonded Turntrans-99-14.9-179.958.30000112.9Q324 C326 A331Q324-T329 PolarHBondContact OE1-OG1 3.32Å; C326-T329 HydrophobicContact CB-CG2 4.43Å; C326-T329 PolarHBondContact O-N 3.19Å; C326-T329 PolarHBondContact O-OG1 3.11Å; T329-A331 PolarHBondContact O-N 2.78Å
330R98.1Very high97.4Very high5 Ų546.2 Ų46.22%0.01927%0.274CS..SBendtrans-63.6129.8173.7-161.4179.1-58.1152.26.1110.7E245 A260 V263 C322 Q324 C326E245-R330 IonicContact OE1-CZ 3.72Å; E245-R330 IonicContact OE1-NH1 2.99Å; E245-R330 PolarHBondContact OE1-NH1 2.94Å; E245-R330 IonicContact OE1-NH2 3.59Å; E245-R330 IonicContact OE2-CZ 2.64Å; E245-R330 IonicContact OE2-NH1 2.79Å; E245-R330 PolarHBondContact OE2-NH1 3.02Å; E245-R330 IonicContact OE2-NH2 3.67Å; E245-R330 PolarHBondContact OE2-NH2 3.33Å; A260-R330 WeakPolarHBondContact O-CD 3.45Å; A260-R330 PolarHBondContact O-NH1 2.98Å; V263-R330 HydrophobicContact CG1-CG 4.06Å; C322-R330 WeakPolarHBondContact O-CD 3.46Å; C322-R330 WeakPolarHBondContact O-CG 3.38Å; Q324-R330 HydrophobicContact CB-CB 3.85Å; Q324-R330 HydrophobicContact CB-CG 4.23Å; Q324-R330 PolarHBondContact O-NE 2.75Å; Q324-R330 PolarHBondContact O-NH2 3.27Å; C326-R330 PolarHBondContact O-N 2.99Å
331A98.4Very high97.4Very high15 Ų1543.6 Ų43.612%0.12426%0.255CS..PPolyproline II helixtrans-62144.4178.400000111V263 A321 T329 E335 L336V263-A331 WeakPolarHBondContact CG1-O 3.21Å; A321-A331 HydrophobicContact CB-CB 3.97Å; A321-A331 PolarHBondContact O-N 3.09Å; T329-A331 PolarHBondContact O-N 2.78Å; A331-E335 HydrophobicContact CB-CB 4.27Å; A331-L336 HydrophobicContact CB-CD1 4.32Å; A331-L336 HydrophobicContact CB-CD2 3.8Å; A331-L336 HydrophobicContact CB-CG 3.75Å
332T98.3Very high97.4Very high52 Ų5242.6 Ų42.632%0.31925%0.246SC..PPolyproline II helixtrans-80.2161.6171.162.50000110.5A334 E335 L336T332-A334 PolarHBondContact O-N 3.28Å; T332-E335 WeakPolarHBondContact CB-OE2 3.26Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.44Å; T332-E335 PolarHBondContact N-OE2 3.43Å; T332-E335 PolarHBondContact O-N 2.76Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.32Å; T332-E335 WeakPolarHBondContact OG1-CG 3.06Å; T332-E335 PolarHBondContact OG1-N 3.39Å; T332-E335 PolarHBondContact OG1-OE2 3.24Å; T332-L336 WeakPolarHBondContact O-CG 3.22Å; T332-L336 PolarHBondContact O-N 3.07Å
333V98.6Very high97.4Very high11 Ų1145.3 Ų45.37%0.06727%0.269CS..Hα-helixtrans-55-36.6172.9176.70000111.6L182 L185 R186 V263 L336 L337L182-V333 HydrophobicContact CB-CG1 4.37Å; L182-V333 HydrophobicContact CD2-CB 4.47Å; L182-V333 HydrophobicContact CD2-CG1 4.02Å; L182-V333 VanDerWaalsContact O-CG1 3.27Å; L182-V333 WeakPolarHBondContact O-CG1 3.47Å; L185-V333 HydrophobicContact CB-CG1 4.33Å; L185-V333 HydrophobicContact CB-CG2 3.97Å; L185-V333 HydrophobicContact CD1-CG2 4.42Å; R186-V333 HydrophobicContact CB-CG1 3.84Å; V263-V333 HydrophobicContact CG2-CG2 3.9Å; V333-L336 PolarHBondContact O-N 2.85Å; V333-L337 HydrophobicContact CG1-CD1 4.16Å; V333-L337 HydrophobicContact CG1-CG 4.49Å; V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.45Å; V333-L337 PolarHBondContact O-N 3.28Å
334A98.2Very high97.4Very high61 Ų6152.4 Ų52.450%0.50430%0.301SS..Hα-helixtrans-66.7-40.8177.800000112.5T332 N338T332-A334 PolarHBondContact O-N 3.28Å; A334-N338 PolarHBondContact O-ND2 3.4Å
335E98.6Very high97.4Very high114 Ų11452.2 Ų52.253%0.53330%0.298SS..Hα-helixtrans-68-41.7175.2-72157.7149.900111A331 T332 L337 N338 H339A331-E335 HydrophobicContact CB-CB 4.27Å; T332-E335 WeakPolarHBondContact CB-OE2 3.26Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.44Å; T332-E335 PolarHBondContact N-OE2 3.43Å; T332-E335 PolarHBondContact O-N 2.76Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.32Å; T332-E335 WeakPolarHBondContact OG1-CG 3.06Å; T332-E335 PolarHBondContact OG1-N 3.39Å; T332-E335 PolarHBondContact OG1-OE2 3.24Å; E335-L337 PolarHBondContact O-N 3.44Å; E335-N338 CarbonylContact O-C 3.56Å; E335-N338 PolarHBondContact O-N 2.9Å; E335-H339 PolarHBondContact O-N 2.72Å; E335-H339 VanDerWaalsContact O-N 3.11Å
336L98.8Very high97.6Very high1 Ų153.9 Ų53.91%0.00531%0.31CS..Hα-helixtrans-67.2-32.4179.4-70.1171.2000113.5L182 V263 F318 A321 C322 A331 T332 V333 N338 H339L182-L336 HydrophobicContact CD1-CB 3.84Å; L182-L336 HydrophobicContact CD2-CB 3.61Å; L182-L336 HydrophobicContact CD2-CD1 3.93Å; L182-L336 HydrophobicContact CD2-CG 4.44Å; L182-L336 HydrophobicContact CG-CB 4.4Å; V263-L336 HydrophobicContact CB-CD1 4.47Å; V263-L336 HydrophobicContact CG1-CD1 3.49Å; V263-L336 VanDerWaalsContact CG1-CD1 3.49Å; V263-L336 HydrophobicContact CG2-CD1 4.26Å; F318-L336 HydrophobicContact CD2-CD2 4.01Å; F318-L336 HydrophobicContact CE2-CB 4.13Å; F318-L336 HydrophobicContact CE2-CD2 3.81Å; F318-L336 HydrophobicContact CE2-CG 4.45Å; F318-L336 HydrophobicContact CZ-CD2 4.36Å; A321-L336 HydrophobicContact CB-CD2 3.93Å; C322-L336 VanDerWaalsContact SG-CD1 3.59Å; A331-L336 HydrophobicContact CB-CD1 4.32Å; A331-L336 HydrophobicContact CB-CD2 3.8Å; A331-L336 HydrophobicContact CB-CG 3.75Å; T332-L336 WeakPolarHBondContact O-CG 3.22Å; T332-L336 PolarHBondContact O-N 3.07Å; V333-L336 PolarHBondContact O-N 2.85Å; L336-N338 PolarHBondContact O-N 2.99Å; L336-H339 VanDerWaalsContact O-CB 3.28Å; L336-H339 WeakPolarHBondContact O-CB 3.13Å; L336-H339 PolarHBondContact O-N 3.16Å; L336-H339 VanDerWaalsContact O-N 3.14Å
337L98.5Very high97.9Very high36 Ų3654.2 Ų54.219%0.18831%0.31CS..Hα-helixtrans-64.1-23.9171.7-79167.8000112.9L182 R186 V333 E335L182-L337 HydrophobicContact CB-CD2 3.57Å; L182-L337 HydrophobicContact CB-CG 3.92Å; L182-L337 HydrophobicContact CD1-CD2 4.36Å; R186-L337 HydrophobicContact CB-CD1 4.31Å; V333-L337 HydrophobicContact CG1-CD1 4.16Å; V333-L337 HydrophobicContact CG1-CG 4.49Å; V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.45Å; V333-L337 PolarHBondContact O-N 3.28Å; E335-L337 PolarHBondContact O-N 3.44Å
338N98.6Very high98Very high127 Ų12756.6 Ų56.668%0.67933%0.332SS*.THydrogen-bonded Turntrans-99.52.1175.7-66.3-70.5000112.6A334 E335 L336A334-N338 PolarHBondContact O-ND2 3.4Å; E335-N338 CarbonylContact O-C 3.56Å; E335-N338 PolarHBondContact O-N 2.9Å; L336-N338 PolarHBondContact O-N 2.99Å
339H98.7Very high98.3Very high34 Ų3455.4 Ų55.416%0.15732%0.318CS..SBendtrans-70.8138.2179.4-173.2-79000110.1E314 G317 F318 E335 L336 F341 V342 A343E314-H339 PolarHBondContact O-CE1 2.84Å; E314-H339 VanDerWaalsContact O-CE1 3.24Å; G317-H339 VanDerWaalsContact C-NE2 3.31Å; F318-H339 HydrophobicContact CD2-CB 4.14Å; F318-H339 AromaticContact CD2-CG 3.94Å; F318-H339 AromaticContact CD2-ND1 3.83Å; F318-H339 PolarHBondContact N-CE1 3.47Å; F318-H339 PolarHBondContact N-NE2 2.65Å; E335-H339 PolarHBondContact O-N 2.72Å; E335-H339 VanDerWaalsContact O-N 3.11Å; L336-H339 VanDerWaalsContact O-CB 3.28Å; L336-H339 WeakPolarHBondContact O-CB 3.13Å; L336-H339 PolarHBondContact O-N 3.16Å; L336-H339 VanDerWaalsContact O-N 3.14Å; H339-F341 VanDerWaalsContact C-N 3.29Å; H339-F341 WeakPolarHBondContact ND1-CB 3.4Å; H339-F341 PolarHBondContact ND1-N 3.07Å; H339-F341 PolarHBondContact O-N 2.87Å; H339-F341 VanDerWaalsContact O-N 3.12Å; H339-V342 PolarHBondContact O-N 3.45Å; H339-A343 PolarHBondContact O-N 3.27Å
340P98.5Very high98.3Very high45 Ų4551.6 Ų51.629%0.29230%0.295SS..Hα-helixtrans-49.6-42.9-175.6-32.436.6000114.9E314 V342 A343 E344E314-P340 HydrophobicContact CG-CB 4Å; P340-V342 PolarHBondContact O-N 2.8Å; P340-A343 PolarHBondContact O-N 2.97Å; P340-E344 HydrophobicContact CB-CG 4.45Å; P340-E344 WeakPolarHBondContact O-CB 3.23Å; P340-E344 PolarHBondContact O-N 3.18Å
341F98.7Very high98.4Very high11 Ų1157.3 Ų57.35%0.04832%0.316CS..Hα-helixtrans-50.8-32175.1-172.3-112.7000114.7E171 L174 A175 A178 E314 L315 F318 H339E171-F341 HydrophobicContact CB-CE2 4.3Å; L174-F341 HydrophobicContact CB-CE1 4.43Å; L174-F341 HydrophobicContact CB-CZ 3.85Å; A175-F341 HydrophobicContact CB-CE1 4.13Å; A175-F341 HydrophobicContact CB-CE2 4.29Å; A175-F341 HydrophobicContact CB-CZ 3.99Å; A175-F341 WeakPolarHBondContact CB-O 3.27Å; A178-F341 HydrophobicContact CB-CE1 4.27Å; E314-F341 HydrophobicContact CB-CB 3.99Å; E314-F341 HydrophobicContact CB-CD2 4.09Å; L315-F341 HydrophobicContact CB-CD2 4.02Å; L315-F341 HydrophobicContact CB-CE2 3.78Å; L315-F341 HydrophobicContact CB-CZ 4.43Å; L315-F341 HydrophobicContact CD1-CE1 4.11Å; L315-F341 HydrophobicContact CD1-CE2 3.9Å; L315-F341 HydrophobicContact CD1-CZ 3.65Å; L315-F341 HydrophobicContact CG-CE2 4.4Å; F318-F341 HydrophobicContact CB-CB 3.79Å; F318-F341 HydrophobicContact CB-CD1 3.92Å; F318-F341 HydrophobicContact CB-CG 3.99Å; F318-F341 HydrophobicContact CD1-CD1 4.06Å; F318-F341 HydrophobicContact CD1-CE1 4.48Å; F318-F341 HydrophobicContact CD2-CB 4.17Å; F318-F341 AromaticContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CG-CB 4.2Å; F318-F341 AromaticContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CG 4.24Å; H339-F341 VanDerWaalsContact C-N 3.29Å; H339-F341 WeakPolarHBondContact ND1-CB 3.4Å; H339-F341 PolarHBondContact ND1-N 3.07Å; H339-F341 PolarHBondContact O-N 2.87Å; H339-F341 VanDerWaalsContact O-N 3.12Å
342V98.6Very high98.4Very high3 Ų362.5 Ų62.52%0.01833%0.333CS..Hα-helixtrans-102.6-49.2179.9172.10000110.9A178 A179 L182 F318 H339 P340 R345A178-V342 HydrophobicContact CB-CG2 4.1Å; A179-V342 HydrophobicContact CB-CG1 3.81Å; L182-V342 HydrophobicContact CD1-CG1 4.36Å; L182-V342 HydrophobicContact CD1-CG2 3.89Å; F318-V342 HydrophobicContact CD2-CG2 4.1Å; F318-V342 HydrophobicContact CE2-CG2 3.64Å; F318-V342 HydrophobicContact CZ-CG2 4.36Å; H339-V342 PolarHBondContact O-N 3.45Å; P340-V342 PolarHBondContact O-N 2.8Å; V342-R345 WeakPolarHBondContact O-CG 3.43Å; V342-R345 PolarHBondContact O-NH1 3.2Å
343A98.3Very high98.3Very high57 Ų5760.9 Ų60.947%0.47132%0.323SS..Hα-helixtrans-74.4-31.1-170.900000113.6H339 P340H339-A343 PolarHBondContact O-N 3.27Å; P340-A343 PolarHBondContact O-N 2.97Å
344E98.1Very high98.3Very high151 Ų15160.4 Ų60.471%0.70632%0.32SS*.THydrogen-bonded Turntrans-1056.6-175.7-60.2178-159.800112.7P340P340-E344 HydrophobicContact CB-CG 4.45Å; P340-E344 WeakPolarHBondContact O-CB 3.23Å; P340-E344 PolarHBondContact O-N 3.18Å
345R97.6Very high98.3Very high57 Ų5761.3 Ų61.322%0.21531%0.313CS..SBendtrans-63.2143.6176.580.8-173.1-173.3-76.41.4110.9A175 E176 V342 V347A175-R345 HydrophobicContact CB-CB 3.99Å; A175-R345 HydrophobicContact CB-CG 4.45Å; E176-R345 IonicContact OE1-NH2 2.89Å; E176-R345 IonicContact OE2-CZ 2.74Å; E176-R345 VanDerWaalsContact OE2-CZ 3.23Å; E176-R345 IonicContact OE2-NE 3.8Å; E176-R345 PolarHBondContact OE2-NE 3.45Å; E176-R345 IonicContact OE2-NH2 3.33Å; E176-R345 PolarHBondContact OE2-NH2 2.64Å; V342-R345 WeakPolarHBondContact O-CG 3.43Å; V342-R345 PolarHBondContact O-NH1 3.2Å; R345-V347 HydrophobicContact CG-CG2 4.27Å; R345-V347 PolarHBondContact O-N 2.81Å
346D98Very high98.2Very high100 Ų10061.1 Ų61.154%0.53531%0.311SS..  trans-69.999.9164.8-178.5-24.5000108.7A348 E349 S350D346-A348 VanDerWaalsContact C-N 3.26Å; D346-A348 PolarHBondContact O-N 3.39Å; D346-A348 PolarHBondContact OD1-N 3.41Å; D346-E349 HydrophobicContact CB-CB 3.79Å; D346-E349 VanDerWaalsContact CG-CB 3.45Å; D346-E349 PolarHBondContact O-N 3.45Å; D346-E349 PolarHBondContact OD1-N 2.96Å; D346-S350 WeakPolarHBondContact O-CB 3.5Å; D346-S350 PolarHBondContact O-N 3.05Å; D346-S350 PolarHBondContact O-OG 3.1Å
347V98Very high98.2Very high68 Ų6861.4 Ų61.441%0.41231%0.314SS..Hα-helixtrans-58.4-37.7-175.9178.60000112.1R345 R351R345-V347 HydrophobicContact CG-CG2 4.27Å; R345-V347 PolarHBondContact O-N 2.81Å; V347-R351 WeakPolarHBondContact O-CB 3.42Å; V347-R351 VanDerWaalsContact O-CG 3.26Å; V347-R351 WeakPolarHBondContact O-CG 3.28Å; V347-R351 PolarHBondContact O-N 3.16Å
348A98.1Very high98.1Very high72 Ų7259.8 Ų59.860%0.59531%0.305SS*.Hα-helixtrans-71.8-44.5-17800000110.8D346 R352D346-A348 VanDerWaalsContact C-N 3.26Å; D346-A348 PolarHBondContact O-N 3.39Å; D346-A348 PolarHBondContact OD1-N 3.41Å; A348-R352 WeakPolarHBondContact O-CB 3.43Å; A348-R352 PolarHBondContact O-N 3.06Å
349E98.3Very high97.9Very high59 Ų5955.5 Ų55.528%0.27628%0.283SS..Hα-helixtrans-62.5-51.3174.6-178.263.2-15700111.4P172 D346 R351 R352 V353P172-E349 HydrophobicContact CB-CG 4.46Å; D346-E349 HydrophobicContact CB-CB 3.79Å; D346-E349 VanDerWaalsContact CG-CB 3.45Å; D346-E349 PolarHBondContact O-N 3.45Å; D346-E349 PolarHBondContact OD1-N 2.96Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 3.38Å; E349-R352 PolarHBondContact O-N 3.04Å; E349-R352 VanDerWaalsContact O-N 3.1Å; E349-R352 IonicContact OE1-CZ 2.7Å; E349-R352 IonicContact OE1-NH1 3.87Å; E349-R352 IonicContact OE1-NH2 3.17Å; E349-R352 PolarHBondContact OE1-NH2 3.3Å; E349-R352 IonicContact OE2-CZ 3.55Å; E349-R352 IonicContact OE2-NH1 2.75Å; E349-R352 PolarHBondContact OE2-NH1 3.15Å; E349-R352 IonicContact OE2-NH2 3.57Å; E349-R352 PolarHBondContact OE2-NH2 3.46Å; E349-V353 HydrophobicContact CG-CG2 4.31Å; E349-V353 WeakPolarHBondContact O-CG2 3.44Å; E349-V353 PolarHBondContact O-N 3.2Å; E349-V353 VanDerWaalsContact OE1-CG2 3.27Å; E349-V353 WeakPolarHBondContact OE1-CG2 3.38Å
350S98.3Very high97.8Very high4 Ų457.8 Ų57.83%0.02831%0.308CS..Hα-helixtrans-54.2-46.6179.3-83.20000112.4P172 D346 L354P172-S350 WeakPolarHBondContact CA-OG 3.38Å; P172-S350 WeakPolarHBondContact O-CA 3.14Å; P172-S350 WeakPolarHBondContact O-CB 3.48Å; P172-S350 PolarHBondContact O-OG 2.88Å; D346-S350 WeakPolarHBondContact O-CB 3.5Å; D346-S350 PolarHBondContact O-N 3.05Å; D346-S350 PolarHBondContact O-OG 3.1Å; S350-L354 VanDerWaalsContact O-CB 3.3Å; S350-L354 WeakPolarHBondContact O-CB 3.42Å; S350-L354 PolarHBondContact O-N 2.71Å
351R98.2Very high97.5Very high125 Ų12556.1 Ų56.147%0.47230%0.297SS..Hα-helixtrans-66.7-41.2176.1-75.3-179170.9-154.4-3.7112.7E176 V347 E349 L354 K355E176-R351 HydrophobicContact CG-CG 3.97Å; E176-R351 WeakPolarHBondContact OE1-CG 3.34Å; E176-R351 IonicContact OE1-CZ 2.7Å; E176-R351 IonicContact OE1-NE 2.68Å; E176-R351 PolarHBondContact OE1-NE 3.47Å; E176-R351 IonicContact OE1-NH2 2.83Å; E176-R351 PolarHBondContact OE1-NH2 3.46Å; V347-R351 WeakPolarHBondContact O-CB 3.42Å; V347-R351 VanDerWaalsContact O-CG 3.26Å; V347-R351 WeakPolarHBondContact O-CG 3.28Å; V347-R351 PolarHBondContact O-N 3.16Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 3.38Å; R351-L354 PolarHBondContact O-N 2.87Å; R351-K355 WeakPolarHBondContact O-CB 3.39Å; R351-K355 PolarHBondContact O-N 3.45Å
352R98.4Very high97.2Very high125 Ų12556.4 Ų56.447%0.47230%0.299SS..Hα-helixtrans-61.2-51.2177.7-168.3-173.877.7-122.8-5.2110.9A348 E349 L354 K355 E356A348-R352 WeakPolarHBondContact O-CB 3.43Å; A348-R352 PolarHBondContact O-N 3.06Å; E349-R352 PolarHBondContact O-N 3.04Å; E349-R352 VanDerWaalsContact O-N 3.1Å; E349-R352 IonicContact OE1-CZ 2.7Å; E349-R352 IonicContact OE1-NH1 3.87Å; E349-R352 IonicContact OE1-NH2 3.17Å; E349-R352 PolarHBondContact OE1-NH2 3.3Å; E349-R352 IonicContact OE2-CZ 3.55Å; E349-R352 IonicContact OE2-NH1 2.75Å; E349-R352 PolarHBondContact OE2-NH1 3.15Å; E349-R352 IonicContact OE2-NH2 3.57Å; E349-R352 PolarHBondContact OE2-NH2 3.46Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.85Å; R352-K355 PolarHBondContact O-N 3.41Å; R352-E356 IonicContact NE-OE1 3.34Å; R352-E356 PolarHBondContact NE-OE1 2.76Å; R352-E356 WeakPolarHBondContact O-CG 3.41Å; R352-E356 PolarHBondContact O-N 2.98Å
353V98.2Very high96.4Very high18 Ų1858.6 Ų58.611%0.10931%0.311CS..Hα-helixtrans-62.9-41.5-179.7176.50000111P170 P172 A173 E349 E356 V357P170-V353 HydrophobicContact CB-CG1 4.17Å; P170-V353 HydrophobicContact CG-CG1 3.36Å; P172-V353 HydrophobicContact CB-CB 4.17Å; P172-V353 HydrophobicContact CB-CG1 4.4Å; P172-V353 HydrophobicContact CB-CG2 4.2Å; A173-V353 HydrophobicContact CB-CG1 4.2Å; E349-V353 HydrophobicContact CG-CG2 4.31Å; E349-V353 WeakPolarHBondContact O-CG2 3.44Å; E349-V353 PolarHBondContact O-N 3.2Å; E349-V353 VanDerWaalsContact OE1-CG2 3.27Å; E349-V353 WeakPolarHBondContact OE1-CG2 3.38Å; V353-E356 PolarHBondContact O-N 2.98Å; V353-V357 WeakPolarHBondContact O-CG2 3.27Å; V353-V357 PolarHBondContact O-N 3.06Å
354L98.3Very high95.1Very high0 Ų065 Ų650%033%0.328CS..Hα-helixtrans-60.9-48.7174.8178.760.2000111.2A173 E176 V177 G209 I211 S350 R351 R352 E356 V357 I358A173-L354 HydrophobicContact CB-CB 4Å; A173-L354 HydrophobicContact CB-CD1 4.05Å; E176-L354 HydrophobicContact CB-CD2 3.93Å; E176-L354 HydrophobicContact CG-CD2 3.73Å; V177-L354 HydrophobicContact CG2-CD1 3.95Å; V177-L354 HydrophobicContact CG2-CD2 4.29Å; G209-L354 WeakPolarHBondContact O-CD2 3.21Å; I211-L354 HydrophobicContact CD1-CD1 4.39Å; I211-L354 HydrophobicContact CD1-CD2 3.95Å; I211-L354 HydrophobicContact CG1-CD2 3.65Å; S350-L354 VanDerWaalsContact O-CB 3.3Å; S350-L354 WeakPolarHBondContact O-CB 3.42Å; S350-L354 PolarHBondContact O-N 2.71Å; R351-L354 PolarHBondContact O-N 2.87Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.85Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 3.43Å; L354-V357 WeakPolarHBondContact O-CB 3.26Å; L354-V357 PolarHBondContact O-N 3.05Å; L354-V357 VanDerWaalsContact O-N 3.15Å; L354-I358 HydrophobicContact CD1-CD1 4.28Å; L354-I358 HydrophobicContact CD1-CG1 4.08Å; L354-I358 HydrophobicContact CG-CG1 4.39Å; L354-I358 WeakPolarHBondContact O-CG1 3.18Å; L354-I358 PolarHBondContact O-N 3.22Å
355K97.7Very high93.7Very high81 Ų8164.7 Ų64.735%0.35233%0.331SS..Hα-helixtrans-58.4-44.1177.9-179.7165.9179.5157.30111.9A207 D208 R351 R352 V357 I358 V359A207-K355 WeakPolarHBondContact O-CE 2.9Å; D208-K355 IonicContact OD1-NZ 3.11Å; D208-K355 PolarHBondContact OD1-NZ 2.81Å; R351-K355 WeakPolarHBondContact O-CB 3.39Å; R351-K355 PolarHBondContact O-N 3.45Å; R352-K355 PolarHBondContact O-N 3.41Å; K355-V357 VanDerWaalsContact C-N 3.34Å; K355-V357 PolarHBondContact O-N 3.35Å; K355-I358 PolarHBondContact O-N 3.28Å; K355-V359 HydrophobicContact CG-CG2 4.18Å; K355-V359 WeakPolarHBondContact O-CB 3.24Å; K355-V359 VanDerWaalsContact O-CG2 3.3Å; K355-V359 WeakPolarHBondContact O-CG2 3.37Å; K355-V359 PolarHBondContact O-N 3.16Å
356E97.1Very high92Very high109 Ų10962.8 Ų62.851%0.50933%0.325SS..Hα-helixtrans-58.6-44.4175.4-73.5171.5-163.600112R352 V353 L354 A360R352-E356 IonicContact NE-OE1 3.34Å; R352-E356 PolarHBondContact NE-OE1 2.76Å; R352-E356 WeakPolarHBondContact O-CG 3.41Å; R352-E356 PolarHBondContact O-N 2.98Å; V353-E356 PolarHBondContact O-N 2.98Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 3.43Å; E356-A360 WeakPolarHBondContact O-CB 3.43Å; E356-A360 PolarHBondContact O-N 2.99Å
357V96.9Very high89.6Confident8 Ų867.6 Ų67.65%0.04834%0.337CS..Hα-helixtrans-60.3-49175.7166.30000111L169 P170 V353 L354 K355 A360 T361L169-V357 HydrophobicContact CD2-CG1 3.75Å; P170-V357 HydrophobicContact CG-CG2 4.16Å; V353-V357 WeakPolarHBondContact O-CG2 3.27Å; V353-V357 PolarHBondContact O-N 3.06Å; L354-V357 WeakPolarHBondContact O-CB 3.26Å; L354-V357 PolarHBondContact O-N 3.05Å; L354-V357 VanDerWaalsContact O-N 3.15Å; K355-V357 VanDerWaalsContact C-N 3.34Å; K355-V357 PolarHBondContact O-N 3.35Å; V357-A360 PolarHBondContact O-N 3.43Å; V357-T361 WeakPolarHBondContact O-CG2 3.5Å; V357-T361 PolarHBondContact O-N 3.41Å; V357-T361 PolarHBondContact O-OG1 2.95Å
358I96.9Very high89.2Confident1 Ų167.6 Ų67.61%0.00533%0.333CS..Hα-helixtrans-63.7-53.5-177-62.9-54.1000110.3L157 A160 A205 D206 L354 K355 A360 T361 M362L157-I358 HydrophobicContact CD2-CD1 3.84Å; A160-I358 HydrophobicContact CB-CD1 4.43Å; A205-I358 HydrophobicContact CB-CD1 3.5Å; A205-I358 HydrophobicContact CB-CG1 3.75Å; A205-I358 HydrophobicContact CB-CG2 3.99Å; D206-I358 WeakPolarHBondContact O-CG2 3.43Å; L354-I358 HydrophobicContact CD1-CD1 4.28Å; L354-I358 HydrophobicContact CD1-CG1 4.08Å; L354-I358 HydrophobicContact CG-CG1 4.39Å; L354-I358 WeakPolarHBondContact O-CG1 3.18Å; L354-I358 PolarHBondContact O-N 3.22Å; K355-I358 PolarHBondContact O-N 3.28Å; I358-A360 VanDerWaalsContact C-N 3.28Å; I358-A360 PolarHBondContact O-N 2.57Å; I358-T361 CarbonylContact O-C 3.6Å; I358-T361 WeakPolarHBondContact O-CA 3.32Å; I358-T361 PolarHBondContact O-N 2.81Å; I358-T361 PolarHBondContact O-OG1 3.02Å; I358-M362 HydrophobicContact CG2-CG 4.26Å; I358-M362 HydrophobicContact CG2-SD 4.27Å; I358-M362 WeakPolarHBondContact O-CG 3.21Å; I358-M362 PolarHBondContact O-N 2.88Å
359V95.9Very high88.7Confident37 Ų3767.4 Ų67.422%0.22432%0.32CS..Hα-helixtrans-58.2-39.1-179.2172.70000111.9K355 T361 M362 Y367K355-V359 HydrophobicContact CG-CG2 4.18Å; K355-V359 WeakPolarHBondContact O-CB 3.24Å; K355-V359 VanDerWaalsContact O-CG2 3.3Å; K355-V359 WeakPolarHBondContact O-CG2 3.37Å; K355-V359 PolarHBondContact O-N 3.16Å; V359-T361 PolarHBondContact O-N 3.35Å; V359-M362 HydrophobicContact CG2-SD 4.35Å; V359-M362 PolarHBondContact O-N 2.75Å; V359-Y367 HydrophobicContact CG1-CE1 3.92Å; V359-Y367 VanDerWaalsContact CG1-OH 3.26Å; V359-Y367 WeakPolarHBondContact CG1-OH 3.42Å; V359-Y367 PolarHBondContact O-OH 3.36Å
360A95Very high88.2Confident83 Ų8367.8 Ų67.869%0.68632%0.322SS*.Hα-helixtrans-66.7-17.717600000113.8E356 V357 I358E356-A360 WeakPolarHBondContact O-CB 3.43Å; E356-A360 PolarHBondContact O-N 2.99Å; V357-A360 PolarHBondContact O-N 3.43Å; I358-A360 VanDerWaalsContact C-N 3.28Å; I358-A360 PolarHBondContact O-N 2.57Å
361T93.6Very high87.6Confident10 Ų1071.6 Ų71.66%0.06134%0.339CS..Hα-helixtrans-109.4-0.6179.963.20000113.9A160 R163 R164 V357 I358 V359A160-T361 HydrophobicContact CB-CG2 4.34Å; R163-T361 HydrophobicContact CB-CG2 4.01Å; R163-T361 WeakPolarHBondContact CD-O 3.5Å; R163-T361 PolarHBondContact NH1-O 3.35Å; R164-T361 HydrophobicContact CG-CG2 3.86Å; V357-T361 WeakPolarHBondContact O-CG2 3.5Å; V357-T361 PolarHBondContact O-N 3.41Å; V357-T361 PolarHBondContact O-OG1 2.95Å; I358-T361 CarbonylContact O-C 3.6Å; I358-T361 WeakPolarHBondContact O-CA 3.32Å; I358-T361 PolarHBondContact O-N 2.81Å; I358-T361 PolarHBondContact O-OG1 3.02Å; V359-T361 PolarHBondContact O-N 3.35Å
362M92.4Very high87Confident17 Ų1768.3 Ų68.38%0.08433%0.331CS..SBendtrans-71.6158.1175-76.3174.568.100112.4N153 R163 A207 I358 V359 D366N153-M362 HydrophobicContact CB-CE 4.37Å; R163-M362 VanDerWaalsContact NH1-C 3.27Å; R163-M362 PolarHBondContact NH1-O 2.77Å; A207-M362 HydrophobicContact CB-CE 3.84Å; A207-M362 HydrophobicContact CB-SD 3.78Å; I358-M362 HydrophobicContact CG2-CG 4.26Å; I358-M362 HydrophobicContact CG2-SD 4.27Å; I358-M362 WeakPolarHBondContact O-CG 3.21Å; I358-M362 PolarHBondContact O-N 2.88Å; V359-M362 HydrophobicContact CG2-SD 4.35Å; V359-M362 PolarHBondContact O-N 2.75Å; M362-D366 HydrophobicContact CE-CB 3.9Å; M362-D366 WeakPolarHBondContact CE-O 3.19Å
363D81.8Confident86.2Confident49 Ų4964.5 Ų64.526%0.26232%0.322SS..  trans-69.9150.1167.4-72.3-35.8000111.2R159 R163 D365 D366R159-D363 IonicContact CZ-OD2 2.71Å; R159-D363 IonicContact NH1-OD2 3.97Å; R159-D363 PolarHBondContact NH1-OD2 3.35Å; R159-D363 IonicContact NH2-OD1 3.23Å; R159-D363 IonicContact NH2-OD2 2.62Å; R159-D363 PolarHBondContact NH2-OD2 2.06Å; R163-D363 IonicContact CZ-OD1 3.44Å; R163-D363 IonicContact NH1-OD1 2.85Å; R163-D363 PolarHBondContact NH1-OD1 3.08Å; R163-D363 IonicContact NH2-OD1 3.58Å; R163-D363 PolarHBondContact NH2-OD1 2.89Å; R163-D363 IonicContact NH2-OD2 2.8Å; D363-D365 PolarHBondContact O-N 2.92Å; D363-D366 HydrophobicContact CB-CB 4.31Å; D363-D366 PolarHBondContact O-N 3.34Å; D363-D366 VanDerWaalsContact O-N 3.1Å
364K70.4Confident85.3Confident191 Ų19167.8 Ų67.883%0.8334%0.337SS*.G310 helixtrans-60.2-26175.1-68.4-173.4178.6-178.50112.5
365D67.8Low84.3Confident145 Ų14573 Ų7378%0.77536%0.363SS*.G310 helixtrans-89.5-0.3-179.3-56.6-32.3000113.4D363D363-D365 PolarHBondContact O-N 2.92Å
366D61.9Low83.2Confident16 Ų1672.3 Ų72.39%0.08636%0.364CS..G310 helixtrans-102.83.3-178.3-77.1-33.4000114.2K88 N153 M362 D363K88-D366 IonicContact NZ-OD1 2.71Å; K88-D366 PolarHBondContact NZ-OD1 2.8Å; N153-D366 PolarHBondContact ND2-O 2.85Å; M362-D366 HydrophobicContact CE-CB 3.9Å; M362-D366 WeakPolarHBondContact CE-O 3.19Å; D363-D366 HydrophobicContact CB-CB 4.31Å; D363-D366 PolarHBondContact O-N 3.34Å; D363-D366 VanDerWaalsContact O-N 3.1Å
367Y48.9Very low82Confident202 Ų20269 Ų6979%0.79235%0.35SS*.  trans-74.80166.3-73.4-91.5000110.8V359V359-Y367 HydrophobicContact CG1-CE1 3.92Å; V359-Y367 VanDerWaalsContact CG1-OH 3.26Å; V359-Y367 WeakPolarHBondContact CG1-OH 3.42Å; V359-Y367 PolarHBondContact O-OH 3.36Å

Retrieved 367 of 367 residues in 958.2 ms (Link to these results)