A0A3Q0KGS7_SCHMA Loading...

Putative wnt inhibitor frzb2

AlphaFold DB , UniProt , Accession A0A3Q0KGS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 569 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
1M68.5Low84.8Confident193 Ų193128.9 Ų128.995%0.95163%0.634SS**  0-72.60-63.8-45.4-172.500113.2R3 I4 V5M1-R3 PolarHBondContact O-N 3.18Å; M1-R3 VanDerWaalsContact O-N 3.11Å; M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 3.27Å; M1-V5 PolarHBondContact O-N 2.97Å
2T77.8Confident85.5Confident120 Ų120125.9 Ų125.974%0.73662%0.621SS**Hα-helixtrans-42-50-170.448.40000116.7I4 V5 C6T2-I4 VanDerWaalsContact C-N 3.28Å; T2-I4 PolarHBondContact O-N 3.3Å; T2-V5 PolarHBondContact O-N 3Å; T2-C6 PolarHBondContact O-N 2.68Å
3R77.7Confident86Confident225 Ų225123.3 Ų123.385%0.84961%0.609SS**Hα-helixtrans-58.8-33.9178.6-76.8-173.1172.8-178-2.2114.1M1 S7M1-R3 PolarHBondContact O-N 3.18Å; M1-R3 VanDerWaalsContact O-N 3.11Å; R3-S7 PolarHBondContact O-N 2.85Å; R3-S7 VanDerWaalsContact O-N 3.15Å
4I86Confident86.4Confident110 Ų110120.4 Ų120.456%0.56460%0.596SS**Hα-helixtrans-71.7-45.1178.7-59.8173.8000109.8M1 T2 C6 S7 I8M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 3.27Å; T2-I4 VanDerWaalsContact C-N 3.28Å; T2-I4 PolarHBondContact O-N 3.3Å; I4-C6 VanDerWaalsContact C-N 3.32Å; I4-C6 PolarHBondContact O-N 3.19Å; I4-S7 PolarHBondContact O-N 3.12Å; I4-I8 HydrophobicContact CG2-CD1 3.9Å; I4-I8 WeakPolarHBondContact O-CG1 3.16Å; I4-I8 PolarHBondContact O-N 3.23Å
5V89Confident86.7Confident77 Ų77121.2 Ų121.247%0.46760%0.595SS.*Hα-helixtrans-58.3-45.7176.5-178.70000110.7M1 T2 S7 I8 Y9M1-V5 PolarHBondContact O-N 2.97Å; T2-V5 PolarHBondContact O-N 3Å; V5-S7 VanDerWaalsContact C-N 3.35Å; V5-S7 PolarHBondContact O-N 3.01Å; V5-I8 PolarHBondContact O-N 3.44Å; V5-Y9 HydrophobicContact CG1-CD2 3.89Å; V5-Y9 HydrophobicContact CG1-CE2 4.02Å; V5-Y9 WeakPolarHBondContact O-CD2 3.15Å; V5-Y9 PolarHBondContact O-N 2.99Å
6C85.4Confident86.9Confident90 Ų90117.8 Ų117.861%0.60859%0.587SS**Hα-helixtrans-61.1-40.7177.4-166.70000112.7T2 I4 Y9 L10T2-C6 PolarHBondContact O-N 2.68Å; I4-C6 VanDerWaalsContact C-N 3.32Å; I4-C6 PolarHBondContact O-N 3.19Å; C6-Y9 PolarHBondContact O-N 2.91Å; C6-L10 PolarHBondContact O-N 3.14Å
7S86.3Confident87Confident67 Ų67116.4 Ų116.447%0.46958%0.581SS.*Hα-helixtrans-65.9-37.8176.8-169.50000112.6R3 I4 V5 W11R3-S7 PolarHBondContact O-N 2.85Å; R3-S7 VanDerWaalsContact O-N 3.15Å; I4-S7 PolarHBondContact O-N 3.12Å; V5-S7 VanDerWaalsContact C-N 3.35Å; V5-S7 PolarHBondContact O-N 3.01Å; S7-W11 PolarHBondContact O-N 3.12Å; S7-W11 VanDerWaalsContact O-N 3.12Å
8I90.4Very high87Confident94 Ų94115.7 Ų115.748%0.48258%0.578SS.*Hα-helixtrans-67.8-45.7177.2-68.6167.4000110.4I4 V5 L10 W11 I12I4-I8 HydrophobicContact CG2-CD1 3.9Å; I4-I8 WeakPolarHBondContact O-CG1 3.16Å; I4-I8 PolarHBondContact O-N 3.23Å; V5-I8 PolarHBondContact O-N 3.44Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.07Å; I8-W11 PolarHBondContact O-N 3.03Å; I8-I12 HydrophobicContact CG2-CD1 3.82Å; I8-I12 HydrophobicContact CG2-CG1 4.48Å; I8-I12 WeakPolarHBondContact O-CG1 3.28Å; I8-I12 PolarHBondContact O-N 2.94Å
9Y91Very high86.8Confident153 Ų153114.8 Ų114.860%0.658%0.575SS**Hα-helixtrans-59.7-42175.6-95.7-88.9000112.5V5 C6 W11 I12 I13V5-Y9 HydrophobicContact CG1-CD2 3.89Å; V5-Y9 HydrophobicContact CG1-CE2 4.02Å; V5-Y9 WeakPolarHBondContact O-CD2 3.15Å; V5-Y9 PolarHBondContact O-N 2.99Å; C6-Y9 PolarHBondContact O-N 2.91Å; Y9-W11 PolarHBondContact O-N 2.72Å; Y9-I12 PolarHBondContact O-N 2.83Å; Y9-I13 WeakPolarHBondContact O-CG1 3.48Å; Y9-I13 PolarHBondContact O-N 3.37Å
10L90.3Very high86.6Confident105 Ų105112.2 Ų112.255%0.5557%0.568SS.*Hα-helixtrans-62.2-43176.8-164.575.2000111.7C6 I8 I13 I14C6-L10 PolarHBondContact O-N 3.14Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.07Å; L10-I13 PolarHBondContact O-N 3.41Å; L10-I14 HydrophobicContact CG-CD1 4.09Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.21Å; L10-I14 PolarHBondContact O-N 3.41Å
11W90.5Very high86.2Confident184 Ų184110.1 Ų110.170%0.69756%0.563SS**Hα-helixtrans-62.7-41.7175.3-100.476.7000113S7 I8 Y9 I14 F15S7-W11 PolarHBondContact O-N 3.12Å; S7-W11 VanDerWaalsContact O-N 3.12Å; I8-W11 PolarHBondContact O-N 3.03Å; Y9-W11 PolarHBondContact O-N 2.72Å; W11-I14 PolarHBondContact O-N 2.66Å; W11-F15 WeakPolarHBondContact O-CB 3.19Å; W11-F15 PolarHBondContact O-N 2.93Å
12I92.7Very high86.6Confident93 Ų93108.8 Ų108.848%0.47755%0.549SS..Hα-helixtrans-61.7-47.3176.6-69.2166000110.3I8 Y9 I14 F15 S16I8-I12 HydrophobicContact CG2-CD1 3.82Å; I8-I12 HydrophobicContact CG2-CG1 4.48Å; I8-I12 WeakPolarHBondContact O-CG1 3.28Å; I8-I12 PolarHBondContact O-N 2.94Å; Y9-I12 PolarHBondContact O-N 2.83Å; I12-I14 PolarHBondContact O-N 3.34Å; I12-F15 PolarHBondContact O-N 2.85Å; I12-S16 PolarHBondContact O-N 3.33Å; I12-S16 PolarHBondContact O-OG 3.3Å
13I92.8Very high86.3Confident92 Ų92110.8 Ų110.847%0.47254%0.544SS..Hα-helixtrans-60.6-46.7178.8-68.2164.9000111Y9 L10 F15 S16 I17Y9-I13 WeakPolarHBondContact O-CG1 3.48Å; Y9-I13 PolarHBondContact O-N 3.37Å; L10-I13 PolarHBondContact O-N 3.41Å; I13-F15 VanDerWaalsContact C-N 3.34Å; I13-F15 PolarHBondContact O-N 2.85Å; I13-S16 PolarHBondContact O-N 2.95Å; I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 VanDerWaalsContact O-CG1 3.32Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 2.99Å
14I91.4Very high85.9Confident83 Ų83104.2 Ų104.243%0.42653%0.529SS..Hα-helixtrans-60.4-43.8177.2-69.2165.8000110.8L10 W11 I12 I17 I18L10-I14 HydrophobicContact CG-CD1 4.09Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.21Å; L10-I14 PolarHBondContact O-N 3.41Å; W11-I14 PolarHBondContact O-N 2.66Å; I12-I14 PolarHBondContact O-N 3.34Å; I14-I17 PolarHBondContact O-N 2.77Å; I14-I18 HydrophobicContact CG2-CD1 3.81Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.23Å
15F91.4Very high84.4Confident132 Ų132102.9 Ų102.958%0.57952%0.522SS*.Hα-helixtrans-66.2-40.1179.1-162.6-94.1000112.4W11 I12 I13 I18 L19W11-F15 WeakPolarHBondContact O-CB 3.19Å; W11-F15 PolarHBondContact O-N 2.93Å; I12-F15 PolarHBondContact O-N 2.85Å; I13-F15 VanDerWaalsContact C-N 3.34Å; I13-F15 PolarHBondContact O-N 2.85Å; F15-I18 PolarHBondContact O-N 2.93Å; F15-L19 VanDerWaalsContact O-CB 3.31Å; F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 PolarHBondContact O-N 3.3Å
16S89.3Confident82.8Confident67 Ų67101.9 Ų101.947%0.46952%0.519SS..Hα-helixtrans-64.1-37.2173.7-66.90000112.9I12 I13 S20I12-S16 PolarHBondContact O-N 3.33Å; I12-S16 PolarHBondContact O-OG 3.3Å; I13-S16 PolarHBondContact O-N 2.95Å; S16-S20 WeakPolarHBondContact O-CB 3.36Å; S16-S20 PolarHBondContact O-N 2.95Å; S16-S20 PolarHBondContact O-OG 3.47Å
17I87.8Confident81.3Confident93 Ų93100.7 Ų100.748%0.47751%0.509SS..Hα-helixtrans-66.7-48.8174.6-68.6166.1000110.1I13 I14 L19 S20 C21I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 VanDerWaalsContact O-CG1 3.32Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 2.99Å; I14-I17 PolarHBondContact O-N 2.77Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.49Å; I17-S20 PolarHBondContact O-N 2.85Å; I17-S20 PolarHBondContact O-OG 3.36Å; I17-C21 WeakPolarHBondContact O-CB 3.2Å; I17-C21 PolarHBondContact O-N 3.43Å; I17-C21 PolarHBondContact O-SG 3.26Å; I17-C21 VanDerWaalsContact O-SG 3.34Å
18I87.1Confident79.5Confident104 Ų104102.6 Ų102.653%0.53352%0.517SS..Hα-helixtrans-58.7-44.7177.5-68.3167.3000110.9I14 F15 C21 Y22I14-I18 HydrophobicContact CG2-CD1 3.81Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.23Å; F15-I18 PolarHBondContact O-N 2.93Å; I18-C21 PolarHBondContact O-N 2.86Å; I18-Y22 WeakPolarHBondContact O-CB 3.37Å; I18-Y22 PolarHBondContact O-N 2.93Å
19L84.9Confident77.3Confident100 Ų100105.4 Ų105.452%0.52452%0.523SS..Hα-helixtrans-65.5-40.8-179.7-166.869000112.2F15 I17 Y22 Y23F15-L19 VanDerWaalsContact O-CB 3.31Å; F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 PolarHBondContact O-N 3.3Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.49Å; L19-Y22 PolarHBondContact O-N 2.88Å; L19-Y23 WeakPolarHBondContact O-CB 3.31Å; L19-Y23 PolarHBondContact O-N 3.19Å
20S81.9Confident74.9Confident61 Ų61102.4 Ų102.443%0.42752%0.524SS..Hα-helixtrans-70.8-39.1176.556.60000112.6S16 I17 Y22 Y23 V24S16-S20 WeakPolarHBondContact O-CB 3.36Å; S16-S20 PolarHBondContact O-N 2.95Å; S16-S20 PolarHBondContact O-OG 3.47Å; I17-S20 PolarHBondContact O-N 2.85Å; I17-S20 PolarHBondContact O-OG 3.36Å; S20-Y22 VanDerWaalsContact C-N 3.3Å; S20-Y22 PolarHBondContact O-N 2.96Å; S20-Y23 PolarHBondContact O-N 3.1Å; S20-V24 WeakPolarHBondContact O-CB 3.29Å; S20-V24 WeakPolarHBondContact O-CG2 3.48Å; S20-V24 PolarHBondContact O-N 3.12Å
21C77.5Confident72.4Confident70 Ų70107.4 Ų107.447%0.47354%0.537SS..Hα-helixtrans-60.7-37.2170.6-71.10000112.6I17 I18 N25I17-C21 WeakPolarHBondContact O-CB 3.2Å; I17-C21 PolarHBondContact O-N 3.43Å; I17-C21 PolarHBondContact O-SG 3.26Å; I17-C21 VanDerWaalsContact O-SG 3.34Å; I18-C21 PolarHBondContact O-N 2.86Å; C21-N25 PolarHBondContact O-N 3.04Å; C21-N25 VanDerWaalsContact O-N 3.13Å; C21-N25 PolarHBondContact O-ND2 2.82Å
22Y78Confident70Confident165 Ų165104.4 Ų104.465%0.64754%0.542SS*.Hα-helixtrans-69.5-43.2175-165.3-84.9000111.6I18 L19 S20 N25 S26I18-Y22 WeakPolarHBondContact O-CB 3.37Å; I18-Y22 PolarHBondContact O-N 2.93Å; L19-Y22 PolarHBondContact O-N 2.88Å; S20-Y22 VanDerWaalsContact C-N 3.3Å; S20-Y22 PolarHBondContact O-N 2.96Å; Y22-N25 PolarHBondContact O-N 2.87Å; Y22-S26 WeakPolarHBondContact O-CB 3.41Å; Y22-S26 PolarHBondContact O-N 2.95Å; Y22-S26 PolarHBondContact O-OG 3.09Å
23Y71.6Confident67.2Low162 Ų162108.1 Ų108.164%0.63556%0.562SS**Hα-helixtrans-65.5-42.7178.7-134.6-89.5000111.9L19 S20 S26 T27L19-Y23 WeakPolarHBondContact O-CB 3.31Å; L19-Y23 PolarHBondContact O-N 3.19Å; S20-Y23 PolarHBondContact O-N 3.1Å; Y23-S26 CarbonylContact O-C 3.35Å; Y23-S26 WeakPolarHBondContact O-CA 3.42Å; Y23-S26 WeakPolarHBondContact O-CB 3.41Å; Y23-S26 PolarHBondContact O-N 3.35Å; Y23-T27 HydrophobicContact CD1-CG2 3.88Å; Y23-T27 HydrophobicContact CE1-CG2 4.07Å; Y23-T27 PolarHBondContact O-N 2.93Å; Y23-T27 PolarHBondContact O-OG1 3.08Å
24V69.7Low64.3Low87 Ų87112.5 Ų112.553%0.52758%0.58SS.*Hα-helixtrans-66.2-40.4177173.30000111.8S20 S26 T27 V28S20-V24 WeakPolarHBondContact O-CB 3.29Å; S20-V24 WeakPolarHBondContact O-CG2 3.48Å; S20-V24 PolarHBondContact O-N 3.12Å; V24-S26 PolarHBondContact O-N 3.02Å; V24-T27 PolarHBondContact O-OG1 3.01Å; V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 WeakPolarHBondContact O-CB 3.2Å; V24-V28 VanDerWaalsContact O-CG2 3.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.17Å; V24-V28 PolarHBondContact O-N 3.33Å
25N54.3Low61.8Low81 Ų81114.7 Ų114.743%0.43359%0.591SS.*Hα-helixtrans-67.4-15.6170.5-82-89.9000113C21 Y22 Y29 K569C21-N25 PolarHBondContact O-N 3.04Å; C21-N25 VanDerWaalsContact O-N 3.13Å; C21-N25 PolarHBondContact O-ND2 2.82Å; Y22-N25 PolarHBondContact O-N 2.87Å; N25-Y29 WeakPolarHBondContact O-CD2 3.3Å; N25-K569 PolarHBondContact OD1-NZ 2.89Å
26S55.4Low59.4Low56 Ų56118 Ų11839%0.39261%0.606SS.*Hα-helixtrans-90.2-39.7176.2-57.10000112.4Y22 Y23 V24Y22-S26 WeakPolarHBondContact O-CB 3.41Å; Y22-S26 PolarHBondContact O-N 2.95Å; Y22-S26 PolarHBondContact O-OG 3.09Å; Y23-S26 CarbonylContact O-C 3.35Å; Y23-S26 WeakPolarHBondContact O-CA 3.42Å; Y23-S26 WeakPolarHBondContact O-CB 3.41Å; Y23-S26 PolarHBondContact O-N 3.35Å; V24-S26 PolarHBondContact O-N 3.02Å
27T52.4Low56.6Low66 Ų66118.1 Ų118.141%0.40562%0.617SS.*Hα-helixtrans-77.1-29.3-178.453.50000113.5Y23 V24 Y29Y23-T27 HydrophobicContact CD1-CG2 3.88Å; Y23-T27 HydrophobicContact CE1-CG2 4.07Å; Y23-T27 PolarHBondContact O-N 2.93Å; Y23-T27 PolarHBondContact O-OG1 3.08Å; V24-T27 PolarHBondContact O-OG1 3.01Å; T27-Y29 VanDerWaalsContact C-N 3.27Å; T27-Y29 PolarHBondContact O-N 3.46Å
28V48.6Very low54Low106 Ų106125.4 Ų125.464%0.64264%0.639SS**THydrogen-bonded Turntrans-70.1-22.6178.4171.40000112.5V24V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 WeakPolarHBondContact O-CB 3.2Å; V24-V28 VanDerWaalsContact O-CG2 3.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.17Å; V24-V28 PolarHBondContact O-N 3.33Å
29Y44.8Very low51.8Low153 Ų153128.7 Ų128.760%0.666%0.656SS**THydrogen-bonded Turntrans-98.822.9-178.6-74-101.3000113.4N25 T27N25-Y29 WeakPolarHBondContact O-CD2 3.3Å; T27-Y29 VanDerWaalsContact C-N 3.27Å; T27-Y29 PolarHBondContact O-N 3.46Å
30S40.7Very low49.2Very low90 Ų90127 Ų12763%0.62966%0.663SS**  trans-14861.9-177.9-74.30000114.4
31Y37.9Very low47.2Very low210 Ų210131.9 Ų131.982%0.82468%0.683SS**  trans-131.1120163.9-88.1-81.9000111.7
32P39.4Very low45.2Very low122 Ų122135.1 Ų135.179%0.79270%0.701SS**  trans-80.9149.9174.732.9-33.8000112H34P32-H34 PolarHBondContact O-N 3.16Å
33L33.4Very low43Very low171 Ų171130.9 Ų130.990%0.89571%0.707SS**  trans-64.8118.9175.8-71.4155.4000112
34H33.5Very low41.3Very low183 Ų183128.1 Ų128.185%0.84772%0.718SS**  trans-167.9157.2147.6-129.5-104.7000115P32P32-H34 PolarHBondContact O-N 3.16Å
35I38.3Very low39.5Very low129 Ų129129.1 Ų129.166%0.66273%0.729SS**  trans81.3142.6169.3-46.1165000116.4
36F40.8Very low38.6Very low202 Ų202134.9 Ų134.989%0.88675%0.75SS**  trans68.1119.3-179.8-50.6-64.8000116.8
37G31.2Very low38.1Very low69 Ų69140.2 Ų140.271%0.71177%0.769SS**  cis125.892.2-14.700000115.4
38R32.8Very low37.4Very low246 Ų246141.9 Ų141.993%0.92878%0.781SS**  trans63.4114.8171-61.2-179.1172.5-176.9-2.6117.6
39I41.8Very low36.9Very low173 Ų173144.8 Ų144.889%0.88779%0.785SS**  176.2135110.3-87.8155000109.6
40G30.1Very low36.6Very low65 Ų65144.1 Ų144.167%0.6779%0.791SS**  trans8212014600000121.3
41L39Very low36.4Very low163 Ų163144.1 Ų144.185%0.85379%0.791SS**  trans69.694.4140-55.5176.2000120.9
42T36.7Very low36.2Very low138 Ų138138.1 Ų138.185%0.84778%0.78SS**  46.4115.9127.857.70000121.4
43G31.1Very low36Very low76 Ų76140.8 Ų140.878%0.78477%0.774SS**  trans148.3107.2150.400000116.9
44A35.3Very low36.2Very low104 Ų104139.3 Ų139.386%0.8677%0.767SS**  trans31.5107.3159.100000120.1K46A44-K46 PolarHBondContact O-N 2.89Å
45S32.4Very low36.3Very low108 Ų108135.8 Ų135.876%0.75576%0.763SS**PPolyproline II helixtrans-53122172156.90000115.1
46K35.5Very low36.3Very low203 Ų203137.6 Ų137.688%0.88377%0.766SS**PPolyproline II helixtrans-96.4119.7150.9-70.1-168.6176.2-169.70109.6A44A44-K46 PolarHBondContact O-N 2.89Å
47Q43.7Very low36.4Very low167 Ų167137 Ų13778%0.7876%0.76SS**PPolyproline II helixtrans-102.1146.9167.3-79.5-158.3-12.200111.3F49Q47-F49 PolarHBondContact O-N 2.8Å
48P37.9Very low36.4Very low102 Ų102136.6 Ų136.666%0.66276%0.755SS**PPolyproline II helixtrans-74.3121.8-179.129.5-33.9000111.9L50 S51P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 2.79Å; P48-L50 VanDerWaalsContact O-N 3.11Å; P48-S51 PolarHBondContact O-OG 2.9Å
49F37.8Very low36.5Very low167 Ų167133.8 Ų133.873%0.73275%0.749SS**G310 helixtrans-57.1-27.5-171.8-176.2-112.9000115.7Q47 S51Q47-F49 PolarHBondContact O-N 2.8Å; F49-S51 PolarHBondContact O-N 2.63Å
50L38.5Very low36.2Very low139 Ų139132.9 Ų132.973%0.72875%0.746SS**G310 helixtrans-76.3-18.2-167.1-70.6167.3000115.8P48P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 2.79Å; P48-L50 VanDerWaalsContact O-N 3.11Å
51S36.8Very low36.3Very low89 Ų89138.4 Ų138.462%0.62275%0.754SS**G310 helixtrans-84.4-23.2-176.658.90000114.3P48 F49P48-S51 PolarHBondContact O-OG 2.9Å; F49-S51 PolarHBondContact O-N 2.63Å
52S34.3Very low35.9Very low84 Ų84137.5 Ų137.559%0.58775%0.75SS**THydrogen-bonded Turntrans-79.9-32.9-175.8-169.40000113N54 S55S52-N54 PolarHBondContact O-N 2.85Å; S52-S55 PolarHBondContact O-N 2.97Å
53W34.8Very low35.5Very low179 Ų179138.3 Ų138.368%0.67875%0.75SS**Hα-helixtrans-63.8-42.5-164.8-1568.9000113.7S55W53-S55 VanDerWaalsContact C-N 3.33Å; W53-S55 PolarHBondContact O-N 2.97Å
54N38.1Very low35.5Very low140 Ų140145.5 Ų145.575%0.74976%0.755SS**Hα-helixtrans-75.4-17.6-179.4-73.2-32.7000114.1S52S52-N54 PolarHBondContact O-N 2.85Å
55S36.4Very low35.3Very low109 Ų109145.9 Ų145.976%0.76275%0.748SS**Hα-helixtrans-84.5-25.8-170.2-161.40000113.7S52 W53S52-S55 PolarHBondContact O-N 2.97Å; W53-S55 VanDerWaalsContact C-N 3.33Å; W53-S55 PolarHBondContact O-N 2.97Å
56K37.3Very low35.1Very low167 Ų167150.6 Ų150.673%0.72676%0.755SS**Hα-helixtrans-102-15.8-168.9-159.2166.3-174.7175.90116
57Y42.3Very low35Very low190 Ų190150.8 Ų150.875%0.74575%0.75SS**Hα-helixtrans-125.6-0.8-175.8-66.1-77.8000114.6K59Y57-K59 PolarHBondContact O-N 3.34Å; Y57-K59 VanDerWaalsContact O-N 3.1Å
58G31.2Very low34.3Very low59 Ų59149.5 Ų149.561%0.60875%0.749SS**  trans-83.759.7179.900000114.9
59K35.5Very low34.1Very low188 Ų188153.9 Ų153.982%0.81775%0.754SS**SBendtrans-166.9148.1163.3-108145.1-170.5173.80114.1Y57Y57-K59 PolarHBondContact O-N 3.34Å; Y57-K59 VanDerWaalsContact O-N 3.1Å
60N35.6Very low33.9Very low153 Ų153153.4 Ų153.482%0.81876%0.758SS**  trans61.182.2164.2-586.3000116.7
61H31.9Very low33.5Very low181 Ų181153.1 Ų153.184%0.83875%0.753SS**  trans-62.6169.1136.6-102-110.2000110.7
62D30.2Very low33.4Very low145 Ų145157.1 Ų157.178%0.77577%0.767SS**  trans89140.6172.1-55.3-24.7000117.9
63N30Very low33.3Very low155 Ų155158 Ų15883%0.82977%0.765SS**  trans64.496.1-176.2-63.5-47.5000117.8
64Y31.1Very low33.2Very low227 Ų227157.8 Ų157.889%0.8978%0.776SS**  trans-135.3121.2144.1-115.5-86.8000110.3
65P30.1Very low32.9Very low112 Ų112157.7 Ų157.773%0.72778%0.775SS**  trans-80.2156.818032.7-34.8000111.9R67P65-R67 PolarHBondContact O-N 3.47Å
66K28Very low32.8Very low206 Ų206161.9 Ų161.990%0.89678%0.78SS**  trans-61.7132.9170.7-63.9176.2-179.3175.70110.2
67R33.9Very low32.7Very low207 Ų207159.9 Ų159.978%0.78178%0.777SS**  trans-119.9120.5161.1-126.7178.3-170.3169.43.6109.1P65 Y69P65-R67 PolarHBondContact O-N 3.47Å; R67-Y69 HydrophobicContact CB-CE2 4.34Å
68N28.3Very low32.2Very low141 Ų141158.2 Ų158.275%0.75478%0.781SS**  trans-71.9143167.1-61.2-14.6000108.2
69Y34Very low32.6Very low194 Ų194163.7 Ų163.776%0.76179%0.79SS**  trans-120.5131.2154.5-81.8-86.2000107.9R67R67-Y69 HydrophobicContact CB-CE2 4.34Å
70L32.6Very low32.3Very low157 Ų157162.4 Ų162.482%0.82279%0.792SS**  trans-82.6169.7178.9-87.3127.2000111
71H31.5Very low32.4Very low133 Ų133160.8 Ų160.862%0.61679%0.793SS**  trans-8.2134.6160.8-82.7-105.5000117.6D73H71-D73 IonicContact CE1-OD1 3.73Å; H71-D73 PolarHBondContact CE1-OD1 3.17Å; H71-D73 VanDerWaalsContact CE1-OD1 3.3Å; H71-D73 IonicContact CE1-OD2 2.66Å; H71-D73 IonicContact CG-OD2 3.42Å; H71-D73 IonicContact ND1-OD1 3.51Å; H71-D73 PolarHBondContact ND1-OD1 3.06Å; H71-D73 IonicContact ND1-OD2 2.69Å; H71-D73 PolarHBondContact ND1-OD2 3.19Å
72N34.9Very low32.5Very low172 Ų172157.3 Ų157.392%0.9279%0.789SS**  -137125.4118-95.8-26.5000108
73D31Very low32.9Very low104 Ų104155.8 Ų155.856%0.55679%0.79SS**  trans-82.5144.3179.7-52.7-89.2000111.1H71H71-D73 IonicContact CE1-OD1 3.73Å; H71-D73 PolarHBondContact CE1-OD1 3.17Å; H71-D73 VanDerWaalsContact CE1-OD1 3.3Å; H71-D73 IonicContact CE1-OD2 2.66Å; H71-D73 IonicContact CG-OD2 3.42Å; H71-D73 IonicContact ND1-OD1 3.51Å; H71-D73 PolarHBondContact ND1-OD1 3.06Å; H71-D73 IonicContact ND1-OD2 2.69Å; H71-D73 PolarHBondContact ND1-OD2 3.19Å
74L34Very low33.1Very low174 Ų174153.1 Ų153.191%0.91178%0.783SS**  trans-130.8110.8151.3-77.1178.5000107.7
75L31.4Very low33.4Very low137 Ų137147 Ų14772%0.71777%0.774SS**  trans-72.6130.8-178.3-70.6158.8000110.5
76F33.7Very low33.7Very low198 Ų198146.4 Ų146.487%0.86877%0.773SS**  trans-110112.4148.5-95-93.3000107
77N35Very low34.2Very low124 Ų124141.4 Ų141.466%0.66376%0.763SS**  trans-96.7100.5173.8-75.3-14000108.6
78D32.6Very low34.4Very low156 Ų156136.7 Ų136.783%0.83476%0.762SS**  trans-87.4126.6158.1-74.4-53.2000108.4
79H39Very low34.7Very low173 Ų173134.9 Ų134.980%0.80176%0.761SS**  trans-111.5102-178.9-125.3-58.9000109.7
80D29.9Very low35Very low161 Ų161131.5 Ų131.586%0.86176%0.76SS**  trans-60.5136.5168.8-89.1-47.3000110.7
81S37.7Very low35.2Very low119 Ų119129 Ų12983%0.83276%0.756SS**  trans-152.8137.7159.6-80.60000110.2
82S34Very low35.7Very low109 Ų109128.7 Ų128.776%0.76277%0.768SS**  trans-97.9171.8-159.566.30000114.4
83S37.1Very low35.7Very low112 Ų112124.8 Ų124.878%0.78376%0.76SS**  trans73.3149.4168.277.60000116.9
84S36.2Very low36.1Very low99 Ų99124.6 Ų124.669%0.69277%0.773SS**  cis-164.7166-22.649.50000111.1
85S37Very low36.2Very low100 Ų100120.6 Ų120.670%0.69977%0.765SS**  trans64.5127.6149.153.60000121.9
86S36.5Very low36.5Very low99 Ų99122.1 Ų122.169%0.69277%0.773SS**  trans74.2101.5134.762.20000122.7
87S37.3Very low36.8Very low101 Ų101117.7 Ų117.771%0.70677%0.766SS**  76.2143.2118.364.10000123.4
88S37.9Very low36.9Very low107 Ų107117.1 Ų117.175%0.74877%0.772SS**  trans65.9150156.538.30000119.2
89S36.3Very low37.2Very low104 Ų104115.3 Ų115.373%0.72777%0.769SS**  cis-178.6178.9-31.645.20000109.3
90V39.1Very low36.9Very low123 Ų123113.6 Ų113.675%0.74577%0.771SS**  trans84.991.1165-167.50000118.1
91S37.2Very low37.4Very low105 Ų105111.7 Ų111.773%0.73477%0.77SS**  27.2125.6120.4-44.50000122.4
92S40.8Very low37.2Very low125 Ų125111.4 Ų111.487%0.87477%0.768SS**  169154.6128.5-76.40000109.6
93A36.9Very low37.4Very low90 Ų90114.2 Ų114.274%0.74477%0.774SS**  cis159.7154.7-23.100000106
94A39.3Very low37.2Very low100 Ų100114.4 Ų114.483%0.82678%0.775SS**  trans64.7126.3-169.500000114.6
95A35.2Very low37.3Very low91 Ų91115 Ų11575%0.75278%0.779SS**  cis85.2113.116.400000116.9
96L37.6Very low37.4Very low169 Ų169115.7 Ų115.789%0.88578%0.784SS**  trans-177147.2135.4-101.3159.2000114.3
97S40.8Very low37.2Very low104 Ų104119 Ų11973%0.72779%0.793SS**  trans48.4109.3153.2590000123.2
98S36.1Very low37.3Very low113 Ų113122 Ų12279%0.7980%0.8SS**  trans-60.2170.4137.1-3.90000111.7
99P39.5Very low37Very low118 Ų118124.1 Ų124.177%0.76680%0.802SS**  -152.5178.150.743.5-21.7000119.7
100T33.3Very low36.9Very low136 Ų136126.7 Ų126.783%0.83481%0.808SS**  trans-16.2141.1163.655.70000120.7
101S39.9Very low36.6Very low121 Ų121127.2 Ų127.285%0.84681%0.806SS**  trans-141.7151.4138.964.90000110.8
102S34Very low36.8Very low113 Ų113130.4 Ų130.479%0.7982%0.816SS**  trans-122.2133.1-176.254.80000110.5
103L38.2Very low36.2Very low169 Ų169132.5 Ų132.589%0.88581%0.809SS**  trans-129.8109.3172-79173.1000111.3
104S31.2Very low36Very low115 Ų115135.2 Ų135.280%0.80480%0.804SS**  trans-107.3115.5167.652.90000108.6
105S39.6Very low35.8Very low112 Ų112138.5 Ų138.578%0.78381%0.808SS**  trans-122.6110.2177.6-67.40000111.2
106S38.4Very low35.8Very low114 Ų114139.6 Ų139.680%0.79780%0.8SS**  trans-39.4141.6174-45.20000115.3
107L31.9Very low35.5Very low169 Ų169139.1 Ų139.189%0.88579%0.793SS**  trans-73129.7155.5-67.1170000108.9
108L39Very low35Very low163 Ų163140.8 Ų140.885%0.85379%0.794SS**  trans-113.5136.6154.2-73175.9000107.4
109L32Very low35Very low153 Ų153142.1 Ų142.180%0.80180%0.797SS**  trans-76141.6169.1-63.885.9000107.7
110D33.8Very low34.6Very low157 Ų157146.1 Ų146.184%0.8481%0.805SS**  trans-135.5143.2150.1-133.6-31.5000110.3
111N34.4Very low34.5Very low134 Ų134143.6 Ų143.672%0.71779%0.793SS**  trans-96.6114.7-172.3-62-86.8000109
112N41Very low34.5Very low173 Ų173143 Ų14393%0.92579%0.789SS**  trans-143.7144.4152.3-97.7-53.1000111.6
113F29.1Very low34.9Very low168 Ų168142.9 Ų142.974%0.73778%0.78SS**  trans-123.2132.6-160161.5-82.6000108.9
114F30.8Very low35.1Very low148 Ų148141 Ų14165%0.64977%0.769SS**  trans57.1111.8176.9-83.8-123.6000115.8I116F114-I116 HydrophobicContact CD1-CD1 4.05Å; F114-I116 HydrophobicContact CD1-CG1 4.43Å; F114-I116 HydrophobicContact CE1-CD1 3.96Å
115D36.6Very low35.6Very low169 Ų169142.8 Ų142.890%0.90477%0.77SS**  -140.2144.8125.1-130.4-30.3000110.1
116I34Very low36.1Very low114 Ų114148.1 Ų148.159%0.58577%0.772SS**  trans-122.4118.8-174.2-62.9172.7000108.1F114F114-I116 HydrophobicContact CD1-CD1 4.05Å; F114-I116 HydrophobicContact CD1-CG1 4.43Å; F114-I116 HydrophobicContact CE1-CD1 3.96Å
117H32.8Very low36.2Very low158 Ų158148.6 Ų148.673%0.73177%0.766SS**  trans-178.5149.9130.5-104.4-71.8000114.1
118N30.3Very low37.1Very low140 Ų140145 Ų14575%0.74975%0.747SS**  trans55.174.7145.2-57.3-11.2000119.7
119T35.3Very low37.3Very low140 Ų140141.7 Ų141.786%0.85974%0.735SS**  trans-124.9118.9138.347.20000110.7S121T119-S121 PolarHBondContact O-N 3.16Å
120H31.5Very low38.6Very low203 Ų203139.1 Ų139.194%0.9473%0.726SS**  trans-76116.5-177.2-137.1-96000109.4
121S31.9Very low39.9Very low83 Ų83134.1 Ų134.158%0.5870%0.704SS**  trans-142108.1175.2-158.30000112.3T119 N123T119-S121 PolarHBondContact O-N 3.16Å; S121-N123 PolarHBondContact O-N 3.16Å
122S38.2Very low41Very low107 Ų107134.3 Ų134.375%0.74870%0.695SS**THydrogen-bonded Turntrans-81.544.8-169.843.70000114.2
123N42.4Very low41.8Very low112 Ų112133.7 Ų133.760%0.59968%0.681SS**THydrogen-bonded Turntrans-110.5-0.3-178.7-87.1-52.1000114.9S121S121-N123 PolarHBondContact O-N 3.16Å
124I43.3Very low43.2Very low128 Ų128127.6 Ų127.666%0.65666%0.662SS**G310 helixtrans-72.6-29.1-176.5-64.3178.6000112.1R126 L127I124-R126 PolarHBondContact O-N 2.74Å; I124-L127 PolarHBondContact O-N 3.44Å
125D41.7Very low44.6Very low154 Ų154124 Ų12482%0.82465%0.649SS**G310 helixtrans-7114.4-176.9-57-50.5000115.5
126R50.6Low46Very low223 Ų223121.4 Ų121.484%0.84263%0.627SS**G310 helixtrans-116.82.8175.8-85-168.1166.696.60.5114.8I124I124-R126 PolarHBondContact O-N 2.74Å
127L41Very low47Very low125 Ų125120.5 Ų120.565%0.65462%0.62SS**SBendtrans-79.5122175.1-72.5160.5000110.5I124I124-L127 PolarHBondContact O-N 3.44Å
128D48.8Very low48.4Very low93 Ų93119.7 Ų119.750%0.49761%0.611SS.*  trans-63.4123.1172.9-172.5-42.6000108.8T130 S131D128-T130 VanDerWaalsContact CG-OG1 3.22Å; D128-T130 PolarHBondContact O-N 3.33Å; D128-T130 WeakPolarHBondContact OD1-CB 3.38Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.27Å; D128-T130 PolarHBondContact OD1-N 3.07Å; D128-T130 PolarHBondContact OD1-OG1 3.38Å; D128-S131 WeakPolarHBondContact O-CB 3.48Å; D128-S131 PolarHBondContact O-N 3.13Å
129P44.6Very low50Low93 Ų93119 Ų11960%0.60461%0.606SS**Hα-helixtrans-60.7-20.8-177.124.2-34.1000113S131 Y133P129-S131 VanDerWaalsContact C-N 3.34Å; P129-Y133 WeakPolarHBondContact O-CD2 3.4Å; P129-Y133 PolarHBondContact O-N 2.93Å
130T59.6Low51Low99 Ų99118.3 Ų118.361%0.60760%0.596SS**Hα-helixtrans-69-29.717363.80000113.1D128 A134D128-T130 VanDerWaalsContact CG-OG1 3.22Å; D128-T130 PolarHBondContact O-N 3.33Å; D128-T130 WeakPolarHBondContact OD1-CB 3.38Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.27Å; D128-T130 PolarHBondContact OD1-N 3.07Å; D128-T130 PolarHBondContact OD1-OG1 3.38Å; T130-A134 VanDerWaalsContact O-CB 3.29Å; T130-A134 WeakPolarHBondContact O-CB 3.33Å; T130-A134 PolarHBondContact O-N 3.34Å
131S61.3Low52.1Low53 Ų53112.9 Ų112.937%0.37157%0.574SS.*Hα-helixtrans-68.2-49.5174.2-160.10000110.5D128 P129 Y133 A134 D135D128-S131 WeakPolarHBondContact O-CB 3.48Å; D128-S131 PolarHBondContact O-N 3.13Å; P129-S131 VanDerWaalsContact C-N 3.34Å; S131-Y133 VanDerWaalsContact C-N 3.32Å; S131-Y133 PolarHBondContact O-N 3.05Å; S131-A134 PolarHBondContact O-N 3.02Å; S131-D135 WeakPolarHBondContact O-CB 3.47Å; S131-D135 PolarHBondContact O-N 2.86Å; S131-D135 VanDerWaalsContact O-OD2 3.04Å; S131-D135 PolarHBondContact OG-OD2 3.27Å; S131-D135 VanDerWaalsContact OG-OD2 3.04Å
132Y56.9Low52.5Low137 Ų137110.5 Ų110.554%0.53756%0.563SS.*Hα-helixtrans-54.9-46.6180-176.9-93.3000111.9W136Y132-W136 AromaticContact CD1-CD1 3.74Å; Y132-W136 AromaticContact CD2-CD1 4Å; Y132-W136 AromaticContact CE1-CD1 3.46Å; Y132-W136 VanDerWaalsContact CE1-CD1 3.46Å; Y132-W136 HydrophobicContact CE1-CG 4.43Å; Y132-W136 AromaticContact CE1-NE1 3.6Å; Y132-W136 AromaticContact CE2-CD1 3.74Å; Y132-W136 AromaticContact CE2-NE1 3.37Å; Y132-W136 AromaticContact CZ-CD1 3.47Å; Y132-W136 VanDerWaalsContact CZ-CD1 3.47Å; Y132-W136 AromaticContact CZ-NE1 3.11Å; Y132-W136 WeakPolarHBondContact O-CB 3.47Å; Y132-W136 VanDerWaalsContact O-CD1 3.29Å; Y132-W136 PolarHBondContact O-N 2.69Å; Y132-W136 PolarHBondContact OH-NE1 3.27Å
133Y57.3Low53.1Low161 Ų161113.2 Ų113.263%0.63156%0.558SS**Hα-helixtrans-68.5-34.9176.2-86.4-85.5000113.5P129 S131 H137P129-Y133 WeakPolarHBondContact O-CD2 3.4Å; P129-Y133 PolarHBondContact O-N 2.93Å; S131-Y133 VanDerWaalsContact C-N 3.32Å; S131-Y133 PolarHBondContact O-N 3.05Å; Y133-H137 WeakPolarHBondContact O-CB 3.38Å; Y133-H137 PolarHBondContact O-CD2 3.3Å; Y133-H137 PolarHBondContact O-N 2.03Å
134A57.6Low53.6Low40 Ų40110 Ų11033%0.33155%0.551SS.*Hα-helixtrans-68.3-40.717600000112.4T130 S131 H137 R138T130-A134 VanDerWaalsContact O-CB 3.29Å; T130-A134 WeakPolarHBondContact O-CB 3.33Å; T130-A134 PolarHBondContact O-N 3.34Å; S131-A134 PolarHBondContact O-N 3.02Å; A134-H137 PolarHBondContact O-N 2.81Å; A134-R138 WeakPolarHBondContact O-CG 3.34Å; A134-R138 PolarHBondContact O-N 2.95Å
135D61.8Low54.5Low71 Ų71106.6 Ų106.638%0.3854%0.539SS..Hα-helixtrans-71.2-38.1177.5-66.1-47.9000111.1S131 R138 L139S131-D135 WeakPolarHBondContact O-CB 3.47Å; S131-D135 PolarHBondContact O-N 2.86Å; S131-D135 VanDerWaalsContact O-OD2 3.04Å; S131-D135 PolarHBondContact OG-OD2 3.27Å; S131-D135 VanDerWaalsContact OG-OD2 3.04Å; D135-R138 WeakPolarHBondContact O-CB 3.39Å; D135-R138 PolarHBondContact O-N 3.11Å; D135-L139 WeakPolarHBondContact O-CG 3.49Å; D135-L139 PolarHBondContact O-N 2.78Å
136W64.3Low55.9Low115 Ų115100.4 Ų100.444%0.43651%0.505SS..Hα-helixtrans-65.1-37.6169.6-89.296.1000113.2Y132 R138 L139 L140Y132-W136 AromaticContact CD1-CD1 3.74Å; Y132-W136 AromaticContact CD2-CD1 4Å; Y132-W136 AromaticContact CE1-CD1 3.46Å; Y132-W136 VanDerWaalsContact CE1-CD1 3.46Å; Y132-W136 HydrophobicContact CE1-CG 4.43Å; Y132-W136 AromaticContact CE1-NE1 3.6Å; Y132-W136 AromaticContact CE2-CD1 3.74Å; Y132-W136 AromaticContact CE2-NE1 3.37Å; Y132-W136 AromaticContact CZ-CD1 3.47Å; Y132-W136 VanDerWaalsContact CZ-CD1 3.47Å; Y132-W136 AromaticContact CZ-NE1 3.11Å; Y132-W136 WeakPolarHBondContact O-CB 3.47Å; Y132-W136 VanDerWaalsContact O-CD1 3.29Å; Y132-W136 PolarHBondContact O-N 2.69Å; Y132-W136 PolarHBondContact OH-NE1 3.27Å; W136-R138 VanDerWaalsContact C-N 3.32Å; W136-R138 PolarHBondContact O-N 2.83Å; W136-L139 PolarHBondContact O-N 2.94Å; W136-L140 HydrophobicContact CE3-CD1 4.03Å; W136-L140 HydrophobicContact CE3-CD2 4.3Å; W136-L140 HydrophobicContact CE3-CG 4Å; W136-L140 HydrophobicContact CZ3-CD2 4.39Å; W136-L140 WeakPolarHBondContact O-CB 3.36Å; W136-L140 VanDerWaalsContact O-CG 3.26Å; W136-L140 WeakPolarHBondContact O-CG 3.18Å; W136-L140 PolarHBondContact O-N 3.06Å
137H56.9Low57.5Low96 Ų9696.9 Ų96.944%0.44449%0.492SS..Hα-helixtrans-63.4-37.4171.5-95.3-75.7000112.3Y133 A134 L139 N141Y133-H137 WeakPolarHBondContact O-CB 3.38Å; Y133-H137 PolarHBondContact O-CD2 3.3Å; Y133-H137 PolarHBondContact O-N 2.03Å; A134-H137 PolarHBondContact O-N 2.81Å; H137-L139 VanDerWaalsContact C-N 3.3Å; H137-L139 PolarHBondContact O-N 2.81Å; H137-N141 WeakPolarHBondContact O-CB 3.41Å; H137-N141 PolarHBondContact O-N 3.19Å
138R61.2Low59.8Low141 Ų14193.2 Ų93.253%0.53248%0.476SS..Hα-helixtrans-67.3-25.8172.8-78.2175.1145.8-154.2-11.7113.9A134 D135 W136 G142A134-R138 WeakPolarHBondContact O-CG 3.34Å; A134-R138 PolarHBondContact O-N 2.95Å; D135-R138 WeakPolarHBondContact O-CB 3.39Å; D135-R138 PolarHBondContact O-N 3.11Å; W136-R138 VanDerWaalsContact C-N 3.32Å; W136-R138 PolarHBondContact O-N 2.83Å; R138-G142 CarbonylContact O-C 3.09Å; R138-G142 WeakPolarHBondContact O-CA 3.48Å
139L63.6Low61.8Low126 Ų12692.7 Ų92.766%0.6647%0.468SS*.Hα-helixtrans-83.3-44.1174.1-69.4168.8000111.5D135 W136 H137 G142D135-L139 WeakPolarHBondContact O-CG 3.49Å; D135-L139 PolarHBondContact O-N 2.78Å; W136-L139 PolarHBondContact O-N 2.94Å; H137-L139 VanDerWaalsContact C-N 3.3Å; H137-L139 PolarHBondContact O-N 2.81Å; L139-G142 PolarHBondContact O-N 2.9Å
140L56.9Low64.1Low124 Ų12496.4 Ų96.465%0.64947%0.474SS*.Hα-helixtrans-76.2-39.4-174.5-68.7168.8000113.6W136 G142W136-L140 HydrophobicContact CE3-CD1 4.03Å; W136-L140 HydrophobicContact CE3-CD2 4.3Å; W136-L140 HydrophobicContact CE3-CG 4Å; W136-L140 HydrophobicContact CZ3-CD2 4.39Å; W136-L140 WeakPolarHBondContact O-CB 3.36Å; W136-L140 VanDerWaalsContact O-CG 3.26Å; W136-L140 WeakPolarHBondContact O-CG 3.18Å; W136-L140 PolarHBondContact O-N 3.06Å; L140-G142 PolarHBondContact O-N 3.1Å
141N53.4Low65.8Low89 Ų8992.2 Ų92.248%0.47645%0.448SS..SBendtrans-84.81.4172.3-6320.2000111.3H137 G144H137-N141 WeakPolarHBondContact O-CB 3.41Å; H137-N141 PolarHBondContact O-N 3.19Å; N141-G144 PolarHBondContact O-N 3.46Å
142G41.6Very low67.4Low34 Ų3491.2 Ų91.235%0.35144%0.441SS..  trans55.8-158-165.100000112.6R138 L139 L140 G144R138-G142 CarbonylContact O-C 3.09Å; R138-G142 WeakPolarHBondContact O-CA 3.48Å; L139-G142 PolarHBondContact O-N 2.9Å; L140-G142 PolarHBondContact O-N 3.1Å; G142-G144 PolarHBondContact O-N 2.81Å
143Y50.3Low69.1Low163 Ų16393.9 Ų93.964%0.63946%0.455SS*.SBendtrans-66.880.9153.5-82.8-88.9000108.7S145 E217Y143-S145 WeakPolarHBondContact O-CA 3.14Å; Y143-S145 PolarHBondContact O-N 2.72Å; Y143-E217 HydrophobicContact CE1-CG 4.09Å
144G52.6Low70.8Confident44 Ų4490.9 Ų90.945%0.45445%0.45SS..  trans-56.193.3157.700000106.7N141 G142 Q146N141-G144 PolarHBondContact O-N 3.46Å; G142-G144 PolarHBondContact O-N 2.81Å; G144-Q146 PolarHBondContact O-N 2.93Å; G144-Q146 VanDerWaalsContact O-N 3.09Å
145S62Low72.5Confident57 Ų5789 Ų8940%0.39943%0.434SS..  trans-54.3118.1-152.157.60000110.5Y143 R147Y143-S145 WeakPolarHBondContact O-CA 3.14Å; Y143-S145 PolarHBondContact O-N 2.72Å; S145-R147 WeakPolarHBondContact O-CG 3.36Å; S145-R147 PolarHBondContact O-N 2.89Å; S145-R147 PolarHBondContact OG-NE 3.35Å; S145-R147 PolarHBondContact OG-NH2 3.1Å
146Q72.7Confident74Confident25 Ų2588.6 Ų88.612%0.11744%0.437CS..  trans-62.699.5-179.9-84.3179.482.900108.5G144 I167 L168 Q216 E217G144-Q146 PolarHBondContact O-N 2.93Å; G144-Q146 VanDerWaalsContact O-N 3.09Å; Q146-I167 HydrophobicContact CB-CG2 3.75Å; Q146-I167 HydrophobicContact CG-CG2 3.99Å; Q146-L168 WeakPolarHBondContact CA-O 3.42Å; Q146-Q216 WeakPolarHBondContact CB-O 3.23Å; Q146-Q216 PolarHBondContact OE1-O 3.35Å; Q146-E217 PolarHBondContact NE2-O 3.2Å
147R83Confident75.4Confident149 Ų14983.3 Ų83.356%0.56242%0.417SS*.EExtended strand (participates in β ladder)trans-98131.4-169.6-85.9170-164.1-170.88.1109.6S145 Y149 I167 L168S145-R147 WeakPolarHBondContact O-CG 3.36Å; S145-R147 PolarHBondContact O-N 2.89Å; S145-R147 PolarHBondContact OG-NE 3.35Å; S145-R147 PolarHBondContact OG-NH2 3.1Å; R147-Y149 HydrophobicContact CB-CD2 4.12Å; R147-Y149 HydrophobicContact CB-CE2 3.38Å; R147-Y149 WeakPolarHBondContact CD-OH 3.18Å; R147-Y149 WeakPolarHBondContact O-CD2 3.27Å; R147-Y149 WeakPolarHBondContact O-CE2 3.46Å; R147-I167 WeakPolarHBondContact O-CA 3.5Å; R147-L168 PolarHBondContact N-O 3.07Å; R147-L168 VanDerWaalsContact N-O 3.08Å; R147-L168 PolarHBondContact O-N 3.35Å; R147-L168 VanDerWaalsContact O-N 3.08Å
148C89.2Confident77.2Confident48 Ų4878.8 Ų78.832%0.32440%0.396SS..EExtended strand (participates in β ladder)trans-79.2119.4170.7-67.70000110.4M166 C211C148-M166 CarbonylContact C-O 3.57Å; C148-M166 WeakPolarHBondContact CA-O 3.05Å; C148-C211 HydrophobicContact CB-CB 3.73Å; C148-C211 WeakPolarHBondContact CB-SG 3.33Å; C148-C211 WeakPolarHBondContact SG-CB 3.28Å; C148-C211 CovalentContact SG-SG 2.03Å; C148-C211 PolarHBondContact SG-SG 3.32Å
149Y91.4Very high78.7Confident81 Ų8175 Ų7532%0.31838%0.384SS..EExtended strand (participates in β ladder)trans-112.4148.8174.1-64.9-86.2000110R147 G165 M166 L168 L177R147-Y149 HydrophobicContact CB-CD2 4.12Å; R147-Y149 HydrophobicContact CB-CE2 3.38Å; R147-Y149 WeakPolarHBondContact CD-OH 3.18Å; R147-Y149 WeakPolarHBondContact O-CD2 3.27Å; R147-Y149 WeakPolarHBondContact O-CE2 3.46Å; Y149-G165 CarbonylContact O-C 3.59Å; Y149-G165 WeakPolarHBondContact O-CA 3.46Å; Y149-M166 PolarHBondContact N-O 3.35Å; Y149-M166 PolarHBondContact O-N 3.29Å; Y149-L168 HydrophobicContact CD2-CB 3.97Å; Y149-L168 HydrophobicContact CD2-CD1 3.87Å; Y149-L168 HydrophobicContact CD2-CG 3.97Å; Y149-L168 HydrophobicContact CE2-CB 3.87Å; Y149-L168 HydrophobicContact CE2-CD1 4.06Å; Y149-L168 HydrophobicContact CE2-CG 4.28Å; Y149-L177 HydrophobicContact CD1-CD1 3.72Å; Y149-L177 HydrophobicContact CD1-CG 4.27Å; Y149-L177 HydrophobicContact CE1-CD1 4.44Å; Y149-L177 HydrophobicContact CG-CD1 4.03Å; Y149-L177 HydrophobicContact CG-CD2 4.31Å; Y149-L177 HydrophobicContact CG-CG 4.18Å
150K93.1Very high79.7Confident171 Ų17176 Ų7674%0.74339%0.39SS*.EExtended strand (participates in β ladder)trans-73.2131.7171.8-172.3170.6-174.51680109.6P152K150-P152 WeakPolarHBondContact O-CD 3.48Å; K150-P152 VanDerWaalsContact O-N 3.15Å
151I94.8Very high81.2Confident12 Ų1272.2 Ų72.26%0.06237%0.37CS..PPolyproline II helixtrans-60.2118.1178.4-59.5173.8000108.4M155 C158 Y163 N164 M166I151-M155 HydrophobicContact CG2-CB 4.13Å; I151-M155 HydrophobicContact CG2-SD 4.07Å; I151-C158 HydrophobicContact CG2-CB 4.38Å; I151-Y163 HydrophobicContact CD1-CD2 3.9Å; I151-Y163 HydrophobicContact CD1-CE2 3.89Å; I151-N164 PolarHBondContact N-O 2.85Å; I151-M166 HydrophobicContact CG1-CB 3.95Å; I151-M166 HydrophobicContact CG1-CG 3.81Å; I151-M166 HydrophobicContact CG1-SD 4.02Å
152P94Very high82.9Confident32 Ų3271.5 Ų71.521%0.20838%0.384CS..PPolyproline II helixtrans-78.6147.8-170.432.9-36.2000111K150 N154 M155 Q159 L177 V181K150-P152 WeakPolarHBondContact O-CD 3.48Å; K150-P152 VanDerWaalsContact O-N 3.15Å; P152-N154 VanDerWaalsContact CB-OD1 3.32Å; P152-N154 WeakPolarHBondContact CB-OD1 3.35Å; P152-N154 WeakPolarHBondContact CG-OD1 2.99Å; P152-N154 PolarHBondContact O-N 3.27Å; P152-M155 HydrophobicContact CG-CB 4.24Å; P152-M155 VanDerWaalsContact O-CB 3.31Å; P152-M155 WeakPolarHBondContact O-CB 3.24Å; P152-M155 PolarHBondContact O-N 2.96Å; P152-Q159 PolarHBondContact O-NE2 3.4Å; P152-L177 HydrophobicContact CG-CD2 4.48Å; P152-V181 HydrophobicContact CG-CG2 3.59Å
153K92.9Very high85.2Confident192 Ų19272.7 Ų72.784%0.83538%0.378SS*.THydrogen-bonded Turntrans-60.4-21.2-171.4-71.6-172.4174.9-175.50114.7M155K153-M155 VanDerWaalsContact C-N 3.34Å
154N93.3Very high87.1Confident99 Ų9970.4 Ų70.453%0.52938%0.377SS..THydrogen-bonded Turntrans-80.8-9175.459.9-14.6000113.8P152 S156 V181P152-N154 VanDerWaalsContact CB-OD1 3.32Å; P152-N154 WeakPolarHBondContact CB-OD1 3.35Å; P152-N154 WeakPolarHBondContact CG-OD1 2.99Å; P152-N154 PolarHBondContact O-N 3.27Å; N154-S156 PolarHBondContact O-N 2.85Å; N154-V181 HydrophobicContact CB-CG1 4.48Å
155M94.4Very high89Confident1 Ų169.2 Ų69.21%0.00537%0.366CS..  trans-79.964.8175.4-157.2174-168.300111.5I151 P152 K153 L157 C158 Q159 M166 V181 A208I151-M155 HydrophobicContact CG2-CB 4.13Å; I151-M155 HydrophobicContact CG2-SD 4.07Å; P152-M155 HydrophobicContact CG-CB 4.24Å; P152-M155 VanDerWaalsContact O-CB 3.31Å; P152-M155 WeakPolarHBondContact O-CB 3.24Å; P152-M155 PolarHBondContact O-N 2.96Å; K153-M155 VanDerWaalsContact C-N 3.34Å; M155-L157 PolarHBondContact O-N 2.04Å; M155-C158 HydrophobicContact CG-CB 4.23Å; M155-C158 PolarHBondContact O-N 3.34Å; M155-C158 HydrophobicContact SD-CB 4.19Å; M155-Q159 PolarHBondContact O-N 3.03Å; M155-M166 HydrophobicContact SD-SD 4.07Å; M155-V181 HydrophobicContact CB-CG2 3.99Å; M155-V181 HydrophobicContact CG-CG2 4.17Å; M155-V181 HydrophobicContact SD-CG2 4.49Å; M155-A208 HydrophobicContact CE-CB 3.91Å; M155-A208 HydrophobicContact SD-CB 4.05Å
156S92.4Very high90.4Very high62 Ų6266.5 Ų66.543%0.43435%0.347SS..G310 helixtrans-52.3-33-170.457.30000114.7N154 C158 T188N154-S156 PolarHBondContact O-N 2.85Å; S156-C158 VanDerWaalsContact C-N 3.3Å; S156-C158 PolarHBondContact O-N 3.24Å; S156-T188 PolarHBondContact OG-OG1 2.93Å
157L93.9Very high91.3Very high4 Ų465.4 Ų65.42%0.02134%0.341CS..G310 helixtrans-61.1-34.8176.7-174.367.4000113.6M155 W187 A191 L203 C204M155-L157 PolarHBondContact O-N 2.04Å; L157-W187 HydrophobicContact CD1-CB 4.15Å; L157-W187 HydrophobicContact CD2-CB 4.06Å; L157-A191 HydrophobicContact CD1-CB 3.57Å; L157-L203 HydrophobicContact CD1-CD1 4.06Å; L157-L203 HydrophobicContact CD2-CB 4.01Å; L157-L203 HydrophobicContact CD2-CD1 4.31Å; L157-C204 PolarHBondContact O-SG 3.02Å
158C95.1Very high91.6Very high1 Ų158.5 Ų58.51%0.00732%0.316CS..G310 helixtrans-12012.7-167-58.30000114.1I151 M155 S156 I161 C204 A208I151-C158 HydrophobicContact CG2-CB 4.38Å; M155-C158 HydrophobicContact CG-CB 4.23Å; M155-C158 PolarHBondContact O-N 3.34Å; M155-C158 HydrophobicContact SD-CB 4.19Å; S156-C158 VanDerWaalsContact C-N 3.3Å; S156-C158 PolarHBondContact O-N 3.24Å; C158-I161 HydrophobicContact CB-CD1 3.91Å; C158-I161 WeakPolarHBondContact O-CG1 3.47Å; C158-C204 WeakPolarHBondContact CA-SG 3.11Å; C158-C204 HydrophobicContact CB-CB 3.96Å; C158-C204 WeakPolarHBondContact CB-SG 3.23Å; C158-C204 VanDerWaalsContact SG-CA 3.55Å; C158-C204 WeakPolarHBondContact SG-CB 3.43Å; C158-C204 CovalentContact SG-SG 2.04Å; C158-C204 PolarHBondContact SG-SG 3.17Å; C158-A208 HydrophobicContact CB-CB 4.19Å
159Q91.2Very high91.7Very high60 Ų6058.4 Ų58.428%0.2831%0.314SS..THydrogen-bonded Turntrans-68.9141.8166.8-70.7-64.4-71.500110.9P152 M155 I161P152-Q159 PolarHBondContact O-NE2 3.4Å; M155-Q159 PolarHBondContact O-N 3.03Å; Q159-I161 VanDerWaalsContact C-N 3.27Å; Q159-I161 PolarHBondContact O-N 3.06Å
160N86.3Confident91.7Very high147 Ų14754.8 Ų54.879%0.78630%0.301SS*.THydrogen-bonded Turntrans58.425.8171.2-56.2-24.4000116.3G162N160-G162 PolarHBondContact O-N 3.02Å
161I88.2Confident91.3Very high45 Ų4549.1 Ų49.123%0.23128%0.275CS..SBendtrans-81.112.2-178.861.8178.7000115.1C158 Q159 Y163 C204C158-I161 HydrophobicContact CB-CD1 3.91Å; C158-I161 WeakPolarHBondContact O-CG1 3.47Å; Q159-I161 VanDerWaalsContact C-N 3.27Å; Q159-I161 PolarHBondContact O-N 3.06Å; I161-Y163 HydrophobicContact CD1-CD1 4.41Å; I161-Y163 HydrophobicContact CD1-CE1 3.7Å; I161-Y163 HydrophobicContact CD1-CE2 3.83Å; I161-Y163 WeakPolarHBondContact CD1-OH 3.45Å; I161-Y163 HydrophobicContact CG1-CD1 4.16Å; I161-Y163 HydrophobicContact CG1-CE1 3.88Å; I161-Y163 HydrophobicContact CG1-CE2 4.38Å; I161-C204 HydrophobicContact CD1-CB 3.43Å; I161-C204 VanDerWaalsContact CD1-CB 3.43Å
162G87.9Confident91.1Very high74 Ų7450.4 Ų50.476%0.76328%0.282SS*.SBendtrans97.3-5.8-179.600000115.7N160N160-G162 PolarHBondContact O-N 3.02Å
163Y90.3Very high90.7Very high59 Ų5955.4 Ų55.423%0.23130%0.302CS..  trans-143.2157.9170.458.1-89.4000110.9I151 I161 G165 A208 V210I151-Y163 HydrophobicContact CD1-CD2 3.9Å; I151-Y163 HydrophobicContact CD1-CE2 3.89Å; I161-Y163 HydrophobicContact CD1-CD1 4.41Å; I161-Y163 HydrophobicContact CD1-CE1 3.7Å; I161-Y163 HydrophobicContact CD1-CE2 3.83Å; I161-Y163 WeakPolarHBondContact CD1-OH 3.45Å; I161-Y163 HydrophobicContact CG1-CD1 4.16Å; I161-Y163 HydrophobicContact CG1-CE1 3.88Å; I161-Y163 HydrophobicContact CG1-CE2 4.38Å; Y163-G165 WeakPolarHBondContact CD2-O 3.34Å; Y163-A208 WeakPolarHBondContact CE2-O 3.23Å; Y163-A208 PolarHBondContact OH-O 3.29Å; Y163-V210 HydrophobicContact CD1-CB 4.29Å; Y163-V210 HydrophobicContact CD1-CG2 4.16Å; Y163-V210 HydrophobicContact CD2-CB 3.88Å; Y163-V210 HydrophobicContact CD2-CG2 3.77Å; Y163-V210 HydrophobicContact CE1-CB 4.23Å; Y163-V210 HydrophobicContact CE2-CB 3.8Å; Y163-V210 HydrophobicContact CE2-CG2 4.23Å; Y163-V210 HydrophobicContact CG-CB 4.12Å; Y163-V210 HydrophobicContact CG-CG2 3.72Å
164N91.1Very high90.6Very high115 Ų11547.1 Ų47.162%0.61527%0.266SS*.  trans-117.7-8.4-169.8-66.1-36.3000114.4I151I151-N164 PolarHBondContact N-O 2.85Å
165G91Very high90.4Very high20 Ų2048.2 Ų48.221%0.20627%0.268CS..EExtended strand (participates in β ladder)trans-123.4140.3-178.600000111.5Y149 Y163 C211Y149-G165 CarbonylContact O-C 3.59Å; Y149-G165 WeakPolarHBondContact O-CA 3.46Å; Y163-G165 WeakPolarHBondContact CD2-O 3.34Å; G165-C211 PolarHBondContact O-N 2.81Å
166M92.2Very high90.2Very high0 Ų053.3 Ų53.30%030%0.296CS..EExtended strand (participates in β ladder)trans-128.8152.8-178.858177-81.500111.3C148 Y149 I151 M155 L168 L177 A180 A208 P209C148-M166 CarbonylContact C-O 3.57Å; C148-M166 WeakPolarHBondContact CA-O 3.05Å; Y149-M166 PolarHBondContact N-O 3.35Å; Y149-M166 PolarHBondContact O-N 3.29Å; I151-M166 HydrophobicContact CG1-CB 3.95Å; I151-M166 HydrophobicContact CG1-CG 3.81Å; I151-M166 HydrophobicContact CG1-SD 4.02Å; M155-M166 HydrophobicContact SD-SD 4.07Å; M166-L168 HydrophobicContact CE-CD1 4.43Å; M166-L168 HydrophobicContact CE-CD2 3.55Å; M166-L168 HydrophobicContact CE-CG 3.93Å; M166-L177 HydrophobicContact CE-CD2 4.18Å; M166-L177 HydrophobicContact SD-CD2 4.13Å; M166-A180 HydrophobicContact CE-CB 4.31Å; M166-A208 HydrophobicContact CB-CB 4Å; M166-A208 HydrophobicContact CE-CB 4.16Å; M166-A208 HydrophobicContact CG-CB 4.49Å; M166-A208 HydrophobicContact SD-CB 3.72Å; M166-P209 CarbonylContact C-O 3.48Å; M166-P209 WeakPolarHBondContact CA-O 3.46Å
167I90.7Very high90.2Very high2 Ų252.9 Ų52.91%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-93.2139.9175.7-61.8170.7000109.9Q146 R147 P209 C211 L219Q146-I167 HydrophobicContact CB-CG2 3.75Å; Q146-I167 HydrophobicContact CG-CG2 3.99Å; R147-I167 WeakPolarHBondContact O-CA 3.5Å; I167-P209 PolarHBondContact N-O 2.59Å; I167-C211 HydrophobicContact CG1-CB 4.14Å; I167-L219 HydrophobicContact CB-CD2 3.87Å; I167-L219 HydrophobicContact CD1-CD2 4.15Å; I167-L219 HydrophobicContact CG2-CD2 3.75Å
168L90.7Very high90.3Very high4 Ų459.4 Ų59.42%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-121.1147.2160.4-64.2176.6000110.5Q146 R147 Y149 M166 N170 L177 A180Q146-L168 WeakPolarHBondContact CA-O 3.42Å; R147-L168 PolarHBondContact N-O 3.07Å; R147-L168 VanDerWaalsContact N-O 3.08Å; R147-L168 PolarHBondContact O-N 3.35Å; R147-L168 VanDerWaalsContact O-N 3.08Å; Y149-L168 HydrophobicContact CD2-CB 3.97Å; Y149-L168 HydrophobicContact CD2-CD1 3.87Å; Y149-L168 HydrophobicContact CD2-CG 3.97Å; Y149-L168 HydrophobicContact CE2-CB 3.87Å; Y149-L168 HydrophobicContact CE2-CD1 4.06Å; Y149-L168 HydrophobicContact CE2-CG 4.28Å; M166-L168 HydrophobicContact CE-CD1 4.43Å; M166-L168 HydrophobicContact CE-CD2 3.55Å; M166-L168 HydrophobicContact CE-CG 3.93Å; L168-N170 HydrophobicContact CD2-CB 4.03Å; L168-L177 HydrophobicContact CD1-CB 4.35Å; L168-L177 HydrophobicContact CD1-CD2 3.88Å; L168-L177 HydrophobicContact CD1-CG 3.75Å; L168-A180 HydrophobicContact CD2-CB 4.31Å
169P90.9Very high90.2Very high46 Ų4663.1 Ų63.130%0.29933%0.334SS..SBendcis-68148.1-1.928.4-35.2000113.2H174 E175P169-H174 VanDerWaalsContact CA-O 3.31Å; P169-H174 WeakPolarHBondContact CA-O 3.49Å; P169-E175 HydrophobicContact CB-CG 4.32Å
170N90.9Very high90.4Very high5 Ų560.3 Ų60.33%0.02732%0.321CS..  trans-88.1-176-178.973.813.1000112.6L168 L172 Q173 H174 Y207 P209L168-N170 HydrophobicContact CD2-CB 4.03Å; N170-L172 PolarHBondContact O-N 3.21Å; N170-L172 WeakPolarHBondContact OD1-CA 3.47Å; N170-L172 PolarHBondContact OD1-N 2.93Å; N170-Q173 PolarHBondContact O-N 3.18Å; N170-Q173 PolarHBondContact OD1-N 2.89Å; N170-H174 PolarHBondContact N-O 3.42Å; N170-H174 PolarHBondContact ND2-ND1 2.95Å; N170-H174 PolarHBondContact OD1-N 3.09Å; N170-H174 VanDerWaalsContact OD1-N 3.1Å; N170-Y207 PolarHBondContact ND2-O 3.08Å; N170-P209 HydrophobicContact CB-CG 4.06Å
171Y85.9Confident90.8Very high52 Ų5253.5 Ų53.520%0.20429%0.285CS..THydrogen-bonded Turntrans-67.6-14.3-179.5-85.3-56.5000115.6Q173 A205 L206 L219 I220 H221Y171-Q173 VanDerWaalsContact C-N 3.32Å; Y171-A205 WeakPolarHBondContact CD2-O 3.19Å; Y171-L206 HydrophobicContact CD2-CD2 4.19Å; Y171-L206 HydrophobicContact CG-CD2 4.43Å; Y171-L206 PolarHBondContact N-O 3.09Å; Y171-L219 HydrophobicContact CD1-CD1 4.03Å; Y171-L219 HydrophobicContact CD2-CB 4.49Å; Y171-L219 HydrophobicContact CE1-CB 3.8Å; Y171-L219 HydrophobicContact CE1-CD1 3.97Å; Y171-L219 HydrophobicContact CE2-CB 3.74Å; Y171-L219 HydrophobicContact CG-CD1 4.32Å; Y171-L219 WeakPolarHBondContact OH-CB 3.37Å; Y171-L219 PolarHBondContact OH-O 3.32Å; Y171-I220 WeakPolarHBondContact OH-CA 3.01Å; Y171-I220 PolarHBondContact OH-N 3.38Å; Y171-H221 AromaticContact CD1-CE1 3.56Å; Y171-H221 AromaticContact CD1-ND1 3.88Å; Y171-H221 AromaticContact CE1-CD2 3.9Å; Y171-H221 AromaticContact CE1-CE1 3.06Å; Y171-H221 WeakPolarHBondContact CE1-CE1 3.36Å; Y171-H221 AromaticContact CE1-CG 3.93Å; Y171-H221 AromaticContact CE1-ND1 3.42Å; Y171-H221 WeakPolarHBondContact CE1-ND1 3.46Å; Y171-H221 AromaticContact CE1-NE2 3.37Å; Y171-H221 WeakPolarHBondContact CE1-NE2 3.47Å; Y171-H221 AromaticContact CE2-ND1 3.95Å; Y171-H221 AromaticContact CZ-CD2 3.73Å; Y171-H221 AromaticContact CZ-CE1 3.54Å; Y171-H221 AromaticContact CZ-CG 3.55Å; Y171-H221 AromaticContact CZ-ND1 3.42Å; Y171-H221 AromaticContact CZ-NE2 3.72Å; Y171-H221 PolarHBondContact OH-CD2 3.17Å; Y171-H221 VanDerWaalsContact OH-CG 3.29Å; Y171-H221 PolarHBondContact OH-N 3.47Å
172L89.1Confident91.2Very high39 Ų3956.1 Ų56.120%0.20430%0.296CS..THydrogen-bonded Turntrans-97.311.1173.5-58.6176.8000111.6N170 H174 Y207 I248N170-L172 PolarHBondContact O-N 3.21Å; N170-L172 WeakPolarHBondContact OD1-CA 3.47Å; N170-L172 PolarHBondContact OD1-N 2.93Å; L172-H174 WeakPolarHBondContact CB-NE2 3.22Å; L172-H174 PolarHBondContact O-CD2 3.28Å; L172-H174 PolarHBondContact O-N 3Å; L172-Y207 HydrophobicContact CD1-CD1 3.96Å; L172-Y207 HydrophobicContact CD1-CD2 4.15Å; L172-Y207 HydrophobicContact CD1-CE1 3.51Å; L172-Y207 HydrophobicContact CD1-CE2 3.72Å; L172-Y207 HydrophobicContact CD1-CG 4.26Å; L172-I248 HydrophobicContact CD2-CB 4.2Å
173Q87.2Confident91.5Very high136 Ų13657 Ų5764%0.63628%0.28SS*.  trans61.120.2-178.6-57.5177.7-47.500114.1N170 Y171 E175N170-Q173 PolarHBondContact O-N 3.18Å; N170-Q173 PolarHBondContact OD1-N 2.89Å; Y171-Q173 VanDerWaalsContact C-N 3.32Å; Q173-E175 PolarHBondContact O-N 3.31Å
174H89.9Confident91.7Very high18 Ų1854.2 Ų54.28%0.08327%0.269CS..  trans-68.2119.1171.2-50.7160.8000108.5P169 N170 L172 E179 A180 Q183 Y207P169-H174 VanDerWaalsContact CA-O 3.31Å; P169-H174 WeakPolarHBondContact CA-O 3.49Å; N170-H174 PolarHBondContact N-O 3.42Å; N170-H174 PolarHBondContact ND2-ND1 2.95Å; N170-H174 PolarHBondContact OD1-N 3.09Å; N170-H174 VanDerWaalsContact OD1-N 3.1Å; L172-H174 WeakPolarHBondContact CB-NE2 3.22Å; L172-H174 PolarHBondContact O-CD2 3.28Å; L172-H174 PolarHBondContact O-N 3Å; H174-E179 VanDerWaalsContact CA-OE2 3.26Å; H174-E179 WeakPolarHBondContact CA-OE2 3.39Å; H174-E179 HydrophobicContact CB-CB 4.35Å; H174-E179 HydrophobicContact CB-CG 4Å; H174-E179 WeakPolarHBondContact CB-OE2 3.47Å; H174-E179 IonicContact CD2-OE2 3.92Å; H174-E179 IonicContact CG-OE2 3.88Å; H174-A180 HydrophobicContact CB-CB 4.31Å; H174-Q183 VanDerWaalsContact CE1-CB 3.48Å; H174-Q183 WeakPolarHBondContact CE1-CB 3.44Å; H174-Y207 AromaticContact CE1-CE1 3.88Å
175E88.6Confident91.8Very high122 Ų12253.1 Ų53.157%0.5726%0.26SS*.  trans-86.6-28177.7-63.7-176.1150.700111.3P169 Q173P169-E175 HydrophobicContact CB-CG 4.32Å; Q173-E175 PolarHBondContact O-N 3.31Å
176D90.7Very high91.8Very high109 Ų10955.4 Ų55.458%0.58327%0.27SS*.SBendtrans-99.2138.3-176.7-89.6-44.7000113.5K178 E179 A180D176-K178 PolarHBondContact O-N 2.98Å; D176-E179 HydrophobicContact CB-CB 4.18Å; D176-E179 PolarHBondContact O-N 2.77Å; D176-A180 PolarHBondContact O-N 2.93Å
177L93.1Very high91.9Very high52 Ų5256 Ų5627%0.27227%0.272SS..Hα-helixtrans-56.3-36.4169.6-83.3172.4000112.4Y149 P152 M166 L168 V181Y149-L177 HydrophobicContact CD1-CD1 3.72Å; Y149-L177 HydrophobicContact CD1-CG 4.27Å; Y149-L177 HydrophobicContact CE1-CD1 4.44Å; Y149-L177 HydrophobicContact CG-CD1 4.03Å; Y149-L177 HydrophobicContact CG-CD2 4.31Å; Y149-L177 HydrophobicContact CG-CG 4.18Å; P152-L177 HydrophobicContact CG-CD2 4.48Å; M166-L177 HydrophobicContact CE-CD2 4.18Å; M166-L177 HydrophobicContact SD-CD2 4.13Å; L168-L177 HydrophobicContact CD1-CB 4.35Å; L168-L177 HydrophobicContact CD1-CD2 3.88Å; L168-L177 HydrophobicContact CD1-CG 3.75Å; L177-V181 VanDerWaalsContact O-CG2 3.29Å; L177-V181 WeakPolarHBondContact O-CG2 3.03Å; L177-V181 PolarHBondContact O-N 3.09Å
178K94.8Very high92Very high141 Ų14157.2 Ų57.261%0.61328%0.28SS*.Hα-helixtrans-63.1-50.1179.8-177.1-171.8168.1-169.10110.9D176 V181 E182D176-K178 PolarHBondContact O-N 2.98Å; K178-V181 PolarHBondContact O-N 2.67Å; K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 VanDerWaalsContact CE-OE2 3.27Å; K178-E182 WeakPolarHBondContact CE-OE2 3.35Å; K178-E182 HydrophobicContact CG-CG 4.49Å; K178-E182 IonicContact NZ-OE1 3.71Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.4Å
179E94.3Very high92Very high79 Ų7960 Ų6037%0.36930%0.3SS..Hα-helixtrans-62-44.9178.3-179177.5-136.400111.2H174 D176 V181 E182 Q183H174-E179 VanDerWaalsContact CA-OE2 3.26Å; H174-E179 WeakPolarHBondContact CA-OE2 3.39Å; H174-E179 HydrophobicContact CB-CB 4.35Å; H174-E179 HydrophobicContact CB-CG 4Å; H174-E179 WeakPolarHBondContact CB-OE2 3.47Å; H174-E179 IonicContact CD2-OE2 3.92Å; H174-E179 IonicContact CG-OE2 3.88Å; D176-E179 HydrophobicContact CB-CB 4.18Å; D176-E179 PolarHBondContact O-N 2.77Å; E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 PolarHBondContact O-N 2.86Å; E179-E182 PolarHBondContact O-N 2.91Å; E179-Q183 HydrophobicContact CG-CG 4.15Å; E179-Q183 VanDerWaalsContact O-CB 3.3Å; E179-Q183 WeakPolarHBondContact O-CB 3.26Å; E179-Q183 WeakPolarHBondContact O-CG 2.97Å; E179-Q183 PolarHBondContact O-N 2.9Å
180A94.5Very high92.2Very high1 Ų158.4 Ų58.41%0.00829%0.289CS..Hα-helixtrans-58.8-39.1175.300000113M166 L168 H174 D176 S184M166-A180 HydrophobicContact CE-CB 4.31Å; L168-A180 HydrophobicContact CD2-CB 4.31Å; H174-A180 HydrophobicContact CB-CB 4.31Å; D176-A180 PolarHBondContact O-N 2.93Å; A180-S184 VanDerWaalsContact O-CB 3.26Å; A180-S184 WeakPolarHBondContact O-CB 3.09Å; A180-S184 PolarHBondContact O-N 2.8Å; A180-S184 PolarHBondContact O-OG 2.9Å
181V95.6Very high92.2Very high5 Ų558.5 Ų58.53%0.0329%0.29CS..Hα-helixtrans-66.7-57.1173.1170.40000111.1P152 N154 M155 L177 K178 E179 Q183 S184 Q185P152-V181 HydrophobicContact CG-CG2 3.59Å; N154-V181 HydrophobicContact CB-CG1 4.48Å; M155-V181 HydrophobicContact CB-CG2 3.99Å; M155-V181 HydrophobicContact CG-CG2 4.17Å; M155-V181 HydrophobicContact SD-CG2 4.49Å; L177-V181 VanDerWaalsContact O-CG2 3.29Å; L177-V181 WeakPolarHBondContact O-CG2 3.03Å; L177-V181 PolarHBondContact O-N 3.09Å; K178-V181 PolarHBondContact O-N 2.67Å; E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 PolarHBondContact O-N 2.86Å; V181-Q183 PolarHBondContact O-N 2.82Å; V181-S184 PolarHBondContact O-N 2.03Å; V181-S184 PolarHBondContact O-OG 2.99Å; V181-Q185 PolarHBondContact O-N 2.91Å
182E95.5Very high92.5Very high99 Ų9962.5 Ų62.546%0.46331%0.311SS..Hα-helixtrans-59.7-46.4-173.3-72.1174.5164.500111.5K178 E179 S184 Q185K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 VanDerWaalsContact CE-OE2 3.27Å; K178-E182 WeakPolarHBondContact CE-OE2 3.35Å; K178-E182 HydrophobicContact CG-CG 4.49Å; K178-E182 IonicContact NZ-OE1 3.71Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.4Å; E179-E182 PolarHBondContact O-N 2.91Å; E182-S184 PolarHBondContact O-N 3.13Å; E182-Q185 PolarHBondContact O-N 3.49Å
183Q93.9Very high92.4Very high93 Ų9362.9 Ų62.944%0.43532%0.315SS..Hα-helixtrans-69.6-17.9177.4-64-63-23.800113.7H174 E179 V181 V186 Y207H174-Q183 VanDerWaalsContact CE1-CB 3.48Å; H174-Q183 WeakPolarHBondContact CE1-CB 3.44Å; E179-Q183 HydrophobicContact CG-CG 4.15Å; E179-Q183 VanDerWaalsContact O-CB 3.3Å; E179-Q183 WeakPolarHBondContact O-CB 3.26Å; E179-Q183 WeakPolarHBondContact O-CG 2.97Å; E179-Q183 PolarHBondContact O-N 2.9Å; V181-Q183 PolarHBondContact O-N 2.82Å; Q183-V186 WeakPolarHBondContact O-CG2 3.08Å; Q183-Y207 HydrophobicContact CB-CE1 3.83Å; Q183-Y207 WeakPolarHBondContact O-CE1 3.29Å; Q183-Y207 PolarHBondContact O-OH 3.33Å
184S94.5Very high92.5Very high0 Ų063.3 Ų63.30%032%0.317CS..Hα-helixtrans-80.2-27.7175.474.50000113.1A180 V181 E182 V186 W187A180-S184 VanDerWaalsContact O-CB 3.26Å; A180-S184 WeakPolarHBondContact O-CB 3.09Å; A180-S184 PolarHBondContact O-N 2.8Å; A180-S184 PolarHBondContact O-OG 2.9Å; V181-S184 PolarHBondContact O-N 2.03Å; V181-S184 PolarHBondContact O-OG 2.99Å; E182-S184 PolarHBondContact O-N 3.13Å; S184-V186 PolarHBondContact O-N 3.11Å; S184-W187 PolarHBondContact O-N 2.93Å; S184-W187 VanDerWaalsContact O-N 3.16Å
185Q93.1Very high92.5Very high93 Ų9364 Ų6444%0.43532%0.323SS..Hα-helixtrans-64.4-25.4-173.5-70.4177.21500113.4V181 E182 W187 T188V181-Q185 PolarHBondContact O-N 2.91Å; E182-Q185 PolarHBondContact O-N 3.49Å; Q185-W187 PolarHBondContact O-N 2.89Å; Q185-W187 VanDerWaalsContact O-N 3.11Å; Q185-T188 WeakPolarHBondContact O-CB 2.99Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q185-T188 PolarHBondContact O-OG1 3.5Å
186V91.9Very high92.6Very high68 Ų6859.3 Ų59.341%0.41230%0.301SS..THydrogen-bonded Turntrans-60-22.9177.4-53.20000113.1Q183 S184 W567Q183-V186 WeakPolarHBondContact O-CG2 3.08Å; S184-V186 PolarHBondContact O-N 3.11Å; V186-W567 HydrophobicContact CB-CZ2 4.31Å; V186-W567 HydrophobicContact CG1-CZ2 4.48Å
187W94.4Very high92.7Very high11 Ų1159 Ų594%0.04231%0.307CS..THydrogen-bonded Turntrans-90.4-12.3178.5-62.398.8000114.2L157 S184 Q185 S189 L190 A191 L203 Y207 M238 P246 I248 V249L157-W187 HydrophobicContact CD1-CB 4.15Å; L157-W187 HydrophobicContact CD2-CB 4.06Å; S184-W187 PolarHBondContact O-N 2.93Å; S184-W187 VanDerWaalsContact O-N 3.16Å; Q185-W187 PolarHBondContact O-N 2.89Å; Q185-W187 VanDerWaalsContact O-N 3.11Å; W187-S189 VanDerWaalsContact C-N 3.31Å; W187-S189 PolarHBondContact O-N 3.47Å; W187-L190 HydrophobicContact CE3-CD2 3.94Å; W187-L190 HydrophobicContact CZ3-CD2 4Å; W187-L190 PolarHBondContact O-N 2.88Å; W187-L190 VanDerWaalsContact O-N 3.07Å; W187-A191 WeakPolarHBondContact O-CB 3.46Å; W187-A191 PolarHBondContact O-N 2.84Å; W187-L203 HydrophobicContact CB-CD1 3.69Å; W187-L203 HydrophobicContact CD2-CD1 4.03Å; W187-L203 HydrophobicContact CD2-CD2 3.64Å; W187-L203 HydrophobicContact CE3-CD1 4.08Å; W187-L203 HydrophobicContact CE3-CD2 3.89Å; W187-L203 HydrophobicContact CG-CD1 3.88Å; W187-L203 HydrophobicContact CG-CD2 4.02Å; W187-L203 HydrophobicContact CH2-CD2 4.43Å; W187-L203 HydrophobicContact CZ2-CD2 4.23Å; W187-L203 HydrophobicContact CZ3-CD2 4.28Å; W187-Y207 AromaticContact CD1-CE2 3.63Å; W187-Y207 AromaticContact CD1-CZ 3.75Å; W187-Y207 AromaticContact NE1-CE2 3.39Å; W187-Y207 AromaticContact NE1-CZ 3.47Å; W187-Y207 PolarHBondContact NE1-OH 3.04Å; W187-M238 HydrophobicContact CH2-CE 4.36Å; W187-M238 HydrophobicContact CZ3-CE 3.94Å; W187-M238 HydrophobicContact CZ3-SD 4.22Å; W187-P246 HydrophobicContact CH2-CG 3.89Å; W187-P246 HydrophobicContact CZ2-CG 4.28Å; W187-I248 HydrophobicContact CZ2-CD1 4.46Å; W187-V249 HydrophobicContact CH2-CG1 4.29Å; W187-V249 HydrophobicContact CH2-CG2 3.8Å; W187-V249 HydrophobicContact CZ2-CG1 4.1Å; W187-V249 HydrophobicContact CZ2-CG2 4.26Å
188T92.3Very high92.6Very high28 Ų2857 Ų5717%0.17230%0.297CS..Hα-helixtrans-58.6-42.4-173-61.50000111.7S156 Q185 L190 A191 Q192S156-T188 PolarHBondContact OG-OG1 2.93Å; Q185-T188 WeakPolarHBondContact O-CB 2.99Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q185-T188 PolarHBondContact O-OG1 3.5Å; T188-L190 VanDerWaalsContact C-N 3.33Å; T188-L190 PolarHBondContact O-N 3.47Å; T188-A191 CarbonylContact O-C 3.05Å; T188-A191 PolarHBondContact O-N 3.48Å; T188-A191 VanDerWaalsContact O-N 3.17Å; T188-Q192 WeakPolarHBondContact O-CG 3.07Å; T188-Q192 PolarHBondContact O-N 3.24Å
189S91.8Very high92.6Very high64 Ų6450.4 Ų50.445%0.44827%0.268SS..Hα-helixtrans-62.4-36.7177.7-44.10000112.8W187W187-S189 VanDerWaalsContact C-N 3.31Å; W187-S189 PolarHBondContact O-N 3.47Å
190L93.3Very high92.6Very high12 Ų1251.2 Ų51.26%0.06327%0.268CS..Hα-helixtrans-72.3-40.9174.3-172.866.9000111W187 T188 Q192 T193 L199 C234 K237 M238W187-L190 HydrophobicContact CE3-CD2 3.94Å; W187-L190 HydrophobicContact CZ3-CD2 4Å; W187-L190 PolarHBondContact O-N 2.88Å; W187-L190 VanDerWaalsContact O-N 3.07Å; T188-L190 VanDerWaalsContact C-N 3.33Å; T188-L190 PolarHBondContact O-N 3.47Å; L190-Q192 PolarHBondContact O-N 2.72Å; L190-T193 PolarHBondContact O-N 3.31Å; L190-T193 PolarHBondContact O-OG1 2.8Å; L190-L199 HydrophobicContact CD2-CD1 4.45Å; L190-L199 HydrophobicContact CD2-CD2 4.32Å; L190-L199 HydrophobicContact CG-CD2 3.97Å; L190-C234 HydrophobicContact CD2-CB 4.42Å; L190-K237 HydrophobicContact CD1-CB 4.37Å; L190-K237 HydrophobicContact CD1-CG 4.37Å; L190-M238 HydrophobicContact CD1-CG 3.69Å; L190-M238 HydrophobicContact CD2-CE 4.47Å; L190-M238 HydrophobicContact CD2-CG 3.66Å; L190-M238 HydrophobicContact CD2-SD 3.7Å; L190-M238 HydrophobicContact CG-CG 4.32Å
191A92.6Very high92.5Very high6 Ų654.2 Ų54.25%0.0528%0.281CS..Hα-helixtrans-67.9-14.7177.500000114.5L157 W187 T188 L199 R200L157-A191 HydrophobicContact CD1-CB 3.57Å; W187-A191 WeakPolarHBondContact O-CB 3.46Å; W187-A191 PolarHBondContact O-N 2.84Å; T188-A191 CarbonylContact O-C 3.05Å; T188-A191 PolarHBondContact O-N 3.48Å; T188-A191 VanDerWaalsContact O-N 3.17Å; A191-L199 HydrophobicContact CB-CD2 4.36Å; A191-R200 HydrophobicContact CB-CG 4.11Å; A191-R200 PolarHBondContact O-NE 2.75Å; A191-R200 PolarHBondContact O-NH2 3.29Å
192Q91Very high92.5Very high136 Ų13654 Ų5464%0.63628%0.28SS*.THydrogen-bonded Turntrans-84.3-19.2168.4-75.3168.7-25.500113.3T188 L190 E194T188-Q192 WeakPolarHBondContact O-CG 3.07Å; T188-Q192 PolarHBondContact O-N 3.24Å; L190-Q192 PolarHBondContact O-N 2.72Å; Q192-E194 VanDerWaalsContact C-N 3.26Å; Q192-E194 PolarHBondContact O-N 3.1Å
193T88.4Confident92.5Very high47 Ų4749.3 Ų49.329%0.28826%0.258SS..THydrogen-bonded Turntrans-79.5-8175.768.10000114.1L190 C195 K237 F241L190-T193 PolarHBondContact O-N 3.31Å; L190-T193 PolarHBondContact O-OG1 2.8Å; T193-C195 PolarHBondContact O-N 3.2Å; T193-K237 HydrophobicContact CG2-CD 4.45Å; T193-K237 HydrophobicContact CG2-CG 3.95Å; T193-F241 HydrophobicContact CG2-CE2 4.02Å; T193-F241 HydrophobicContact CG2-CZ 4.2Å
194E88.6Confident92.6Very high146 Ų14644.9 Ų44.968%0.68224%0.237SC*.THydrogen-bonded Turntrans48.928.3178.7-53.2-158.4150.600115Q192 H196 R200Q192-E194 VanDerWaalsContact C-N 3.26Å; Q192-E194 PolarHBondContact O-N 3.1Å; E194-H196 PolarHBondContact O-N 2.67Å; E194-R200 IonicContact OE1-NH2 2.7Å
195C89.9Confident92.5Very high31 Ų3145 Ų4521%0.20924%0.238CC..SBendtrans-59-18.1-177.853.20000114.9T193 S233 C234T193-C195 PolarHBondContact O-N 3.2Å; C195-S233 WeakPolarHBondContact O-CB 3.36Å; C195-C234 VanDerWaalsContact C-SG 3.57Å; C195-C234 HydrophobicContact CB-CB 3.99Å; C195-C234 WeakPolarHBondContact CB-SG 3.22Å; C195-C234 VanDerWaalsContact SG-CA 3.54Å; C195-C234 WeakPolarHBondContact SG-CB 3.47Å; C195-C234 CovalentContact SG-SG 2.04Å; C195-C234 PolarHBondContact SG-SG 2.67Å
196H91.5Very high92.5Very high24 Ų2440.7 Ų40.711%0.11122%0.218CC..  trans-153.5138.6168-166.1-87.1000110.4E194 D198 L199 D229 V230E194-H196 PolarHBondContact O-N 2.67Å; H196-D198 PolarHBondContact ND1-N 3.04Å; H196-D198 PolarHBondContact O-N 2.98Å; H196-L199 HydrophobicContact CB-CB 4.33Å; H196-L199 VanDerWaalsContact O-CB 3.23Å; H196-L199 WeakPolarHBondContact O-CB 3.25Å; H196-L199 PolarHBondContact O-N 2.65Å; H196-L199 VanDerWaalsContact O-N 3.08Å; H196-D229 IonicContact NE2-OD2 2.92Å; H196-D229 PolarHBondContact NE2-OD2 3.44Å; H196-V230 HydrophobicContact CB-CG2 4.39Å; H196-V230 WeakPolarHBondContact ND1-CG2 3.47Å
197S91Very high92.7Very high102 Ų10237.8 Ų37.871%0.71320%0.199SC*.THydrogen-bonded Turntrans-61.5-42.2-178.350.70000112.9L199S197-L199 VanDerWaalsContact C-N 3.28Å; S197-L199 PolarHBondContact O-N 3.23Å
198D92.4Very high92.7Very high11 Ų1137.2 Ų37.26%0.05920%0.197CC..THydrogen-bonded Turntrans-80.76.7175.8-72.1-32.6000114.3H196 R200 K201 F202 L226 V230 T266H196-D198 PolarHBondContact ND1-N 3.04Å; H196-D198 PolarHBondContact O-N 2.98Å; D198-R200 PolarHBondContact O-N 3.06Å; D198-K201 HydrophobicContact CB-CB 4.22Å; D198-K201 HydrophobicContact CB-CD 4.2Å; D198-K201 WeakPolarHBondContact O-CB 3.26Å; D198-K201 PolarHBondContact O-N 3.21Å; D198-K201 VanDerWaalsContact OD1-CD 3.23Å; D198-K201 WeakPolarHBondContact OD1-CD 3.43Å; D198-F202 WeakPolarHBondContact O-CB 3.49Å; D198-F202 PolarHBondContact O-N 3.05Å; D198-L226 HydrophobicContact CB-CD1 3.56Å; D198-V230 HydrophobicContact CB-CG2 4.34Å; D198-T266 VanDerWaalsContact CG-OG1 3.27Å; D198-T266 VanDerWaalsContact OD1-CB 3.29Å; D198-T266 WeakPolarHBondContact OD1-CB 3.35Å; D198-T266 PolarHBondContact OD1-OG1 3.05Å; D198-T266 VanDerWaalsContact OD2-CB 3.31Å; D198-T266 WeakPolarHBondContact OD2-CB 3.3Å; D198-T266 PolarHBondContact OD2-N 3.07Å; D198-T266 PolarHBondContact OD2-OG1 3.46Å
199L94.5Very high92.7Very high2 Ų236 Ų361%0.0119%0.19CC..Hα-helixtrans-57-47-179.6173.163.2000112L190 A191 H196 S197 F202 L203 V230L190-L199 HydrophobicContact CD2-CD1 4.45Å; L190-L199 HydrophobicContact CD2-CD2 4.32Å; L190-L199 HydrophobicContact CG-CD2 3.97Å; A191-L199 HydrophobicContact CB-CD2 4.36Å; H196-L199 HydrophobicContact CB-CB 4.33Å; H196-L199 VanDerWaalsContact O-CB 3.23Å; H196-L199 WeakPolarHBondContact O-CB 3.25Å; H196-L199 PolarHBondContact O-N 2.65Å; H196-L199 VanDerWaalsContact O-N 3.08Å; S197-L199 VanDerWaalsContact C-N 3.28Å; S197-L199 PolarHBondContact O-N 3.23Å; L199-F202 PolarHBondContact O-N 3.17Å; L199-L203 HydrophobicContact CD1-CD1 3.69Å; L199-L203 HydrophobicContact CD1-CG 4.06Å; L199-L203 HydrophobicContact CG-CD1 3.99Å; L199-L203 WeakPolarHBondContact O-CG 3.25Å; L199-L203 PolarHBondContact O-N 2.98Å; L199-V230 HydrophobicContact CB-CG1 4.21Å; L199-V230 HydrophobicContact CD1-CG1 3.53Å; L199-V230 HydrophobicContact CG-CG1 4.48Å
200R93.9Very high92.6Very high97 Ų9735.2 Ų35.237%0.36618%0.182SC..Hα-helixtrans-66-41.3177.5-61.9-171.5-166.3167.211.9111.3A191 E194 D198 F202 L203 C204A191-R200 HydrophobicContact CB-CG 4.11Å; A191-R200 PolarHBondContact O-NE 2.75Å; A191-R200 PolarHBondContact O-NH2 3.29Å; E194-R200 IonicContact OE1-NH2 2.7Å; D198-R200 PolarHBondContact O-N 3.06Å; R200-F202 PolarHBondContact O-N 3.4Å; R200-L203 PolarHBondContact O-N 2.97Å; R200-C204 VanDerWaalsContact O-CB 3.26Å; R200-C204 WeakPolarHBondContact O-CB 3.44Å; R200-C204 PolarHBondContact O-N 2.9Å; R200-C204 PolarHBondContact O-SG 3.17Å
201K92.9Very high92.4Very high64 Ų6435.8 Ų35.828%0.27819%0.187SC..Hα-helixtrans-57.1-47.2175.1-174.6-168.6-174-168.30111.8D198 A205 I263 P264 T266D198-K201 HydrophobicContact CB-CB 4.22Å; D198-K201 HydrophobicContact CB-CD 4.2Å; D198-K201 WeakPolarHBondContact O-CB 3.26Å; D198-K201 PolarHBondContact O-N 3.21Å; D198-K201 VanDerWaalsContact OD1-CD 3.23Å; D198-K201 WeakPolarHBondContact OD1-CD 3.43Å; K201-A205 WeakPolarHBondContact O-CB 3.49Å; K201-A205 PolarHBondContact O-N 2.85Å; K201-A205 VanDerWaalsContact O-N 3.08Å; K201-I263 HydrophobicContact CD-CG2 4.46Å; K201-P264 PolarHBondContact NZ-O 2.6Å; K201-T266 PolarHBondContact NZ-OG1 2.04Å
202F95Very high91.9Very high0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-63.5-47.9178.2168.7-106000112.4D198 L199 R200 L206 P222 L226 C227 V230 W245 V249 F254D198-F202 WeakPolarHBondContact O-CB 3.49Å; D198-F202 PolarHBondContact O-N 3.05Å; L199-F202 PolarHBondContact O-N 3.17Å; R200-F202 PolarHBondContact O-N 3.4Å; F202-L206 HydrophobicContact CZ-CD1 4.25Å; F202-P222 HydrophobicContact CD2-CB 3.65Å; F202-P222 HydrophobicContact CD2-CG 3.85Å; F202-P222 HydrophobicContact CE2-CB 3.99Å; F202-P222 HydrophobicContact CE2-CG 3.74Å; F202-L226 HydrophobicContact CB-CD1 4.4Å; F202-L226 HydrophobicContact CB-CG 4.39Å; F202-L226 HydrophobicContact CD2-CG 4.31Å; F202-C227 HydrophobicContact CD2-CB 4.34Å; F202-C227 HydrophobicContact CE2-CB 3.62Å; F202-C227 HydrophobicContact CZ-CB 4.11Å; F202-V230 HydrophobicContact CB-CG2 4.12Å; F202-V230 HydrophobicContact CD1-CG1 4.05Å; F202-V230 HydrophobicContact CG-CG1 4.48Å; F202-V230 HydrophobicContact CG-CG2 4.47Å; F202-W245 HydrophobicContact CE1-CH2 4.42Å; F202-W245 HydrophobicContact CE1-CZ2 4.01Å; F202-W245 HydrophobicContact CZ-CZ2 4.42Å; F202-V249 HydrophobicContact CE1-CB 4.1Å; F202-V249 HydrophobicContact CE1-CG1 4.01Å; F202-V249 HydrophobicContact CZ-CB 4.01Å; F202-V249 HydrophobicContact CZ-CG1 4.14Å; F202-F254 HydrophobicContact CE2-CD2 4.22Å; F202-F254 AromaticContact CE2-CE2 3.66Å; F202-F254 HydrophobicContact CE2-CE2 3.66Å; F202-F254 HydrophobicContact CE2-CZ 4.18Å; F202-F254 AromaticContact CZ-CE2 3.79Å; F202-F254 HydrophobicContact CZ-CE2 3.79Å; F202-F254 HydrophobicContact CZ-CZ 4.27Å
203L95.7Very high91Very high0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-69.4-43.8-179.5-67.9169.7000112.1L157 W187 L199 R200 A205 L206 Y207 V249L157-L203 HydrophobicContact CD1-CD1 4.06Å; L157-L203 HydrophobicContact CD2-CB 4.01Å; L157-L203 HydrophobicContact CD2-CD1 4.31Å; W187-L203 HydrophobicContact CB-CD1 3.69Å; W187-L203 HydrophobicContact CD2-CD1 4.03Å; W187-L203 HydrophobicContact CD2-CD2 3.64Å; W187-L203 HydrophobicContact CE3-CD1 4.08Å; W187-L203 HydrophobicContact CE3-CD2 3.89Å; W187-L203 HydrophobicContact CG-CD1 3.88Å; W187-L203 HydrophobicContact CG-CD2 4.02Å; W187-L203 HydrophobicContact CH2-CD2 4.43Å; W187-L203 HydrophobicContact CZ2-CD2 4.23Å; W187-L203 HydrophobicContact CZ3-CD2 4.28Å; L199-L203 HydrophobicContact CD1-CD1 3.69Å; L199-L203 HydrophobicContact CD1-CG 4.06Å; L199-L203 HydrophobicContact CG-CD1 3.99Å; L199-L203 WeakPolarHBondContact O-CG 3.25Å; L199-L203 PolarHBondContact O-N 2.98Å; R200-L203 PolarHBondContact O-N 2.97Å; L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 3.43Å; L203-L206 WeakPolarHBondContact O-CB 3.35Å; L203-L206 PolarHBondContact O-N 3.26Å; L203-Y207 WeakPolarHBondContact O-CD2 3.29Å; L203-Y207 PolarHBondContact O-N 3.37Å; L203-V249 HydrophobicContact CD2-CG1 4.47Å
204C95.3Very high90Very high0 Ų040 Ų400%023%0.23CC..Hα-helixtrans-68.8-27.3179.9-62.50000112.7L157 C158 I161 R200 L206 A208L157-C204 PolarHBondContact O-SG 3.02Å; C158-C204 WeakPolarHBondContact CA-SG 3.11Å; C158-C204 HydrophobicContact CB-CB 3.96Å; C158-C204 WeakPolarHBondContact CB-SG 3.23Å; C158-C204 VanDerWaalsContact SG-CA 3.55Å; C158-C204 WeakPolarHBondContact SG-CB 3.43Å; C158-C204 CovalentContact SG-SG 2.04Å; C158-C204 PolarHBondContact SG-SG 3.17Å; I161-C204 HydrophobicContact CD1-CB 3.43Å; I161-C204 VanDerWaalsContact CD1-CB 3.43Å; R200-C204 VanDerWaalsContact O-CB 3.26Å; R200-C204 WeakPolarHBondContact O-CB 3.44Å; R200-C204 PolarHBondContact O-N 2.9Å; R200-C204 PolarHBondContact O-SG 3.17Å; C204-L206 PolarHBondContact O-N 2.97Å; C204-L206 VanDerWaalsContact O-N 3.14Å; C204-A208 CarbonylContact O-C 3.59Å; C204-A208 WeakPolarHBondContact O-CA 3.31Å; C204-A208 PolarHBondContact O-N 3.31Å
205A93.2Very high88.9Confident2 Ų239.6 Ų39.62%0.01723%0.228CC..Hα-helixtrans-58.3-22.6167.700000113.6Y171 K201 L203 I263Y171-A205 WeakPolarHBondContact CD2-O 3.19Å; K201-A205 WeakPolarHBondContact O-CB 3.49Å; K201-A205 PolarHBondContact O-N 2.85Å; K201-A205 VanDerWaalsContact O-N 3.08Å; L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 3.43Å; A205-I263 HydrophobicContact CB-CD1 3.67Å
206L93.9Very high87.5Confident4 Ų442.5 Ų42.52%0.02124%0.239CC..Hα-helixtrans-96.6-47.3177.2-55.9175000112.4Y171 F202 L203 C204 P222 V249 F254Y171-L206 HydrophobicContact CD2-CD2 4.19Å; Y171-L206 HydrophobicContact CG-CD2 4.43Å; Y171-L206 PolarHBondContact N-O 3.09Å; F202-L206 HydrophobicContact CZ-CD1 4.25Å; L203-L206 WeakPolarHBondContact O-CB 3.35Å; L203-L206 PolarHBondContact O-N 3.26Å; C204-L206 PolarHBondContact O-N 2.97Å; C204-L206 VanDerWaalsContact O-N 3.14Å; L206-P222 HydrophobicContact CD2-CG 3.98Å; L206-P222 HydrophobicContact CG-CG 4.5Å; L206-V249 HydrophobicContact CD1-CG1 3.8Å; L206-F254 HydrophobicContact CD1-CZ 3.97Å; L206-F254 HydrophobicContact CD2-CE1 3.68Å; L206-F254 HydrophobicContact CD2-CZ 3.93Å
207Y94.8Very high86Confident6 Ų646.4 Ų46.42%0.02426%0.257CS..Hα-helixtrans-82.7-32.7-174.3-80.1-89.1000114.3N170 L172 H174 Q183 W187 L203N170-Y207 PolarHBondContact ND2-O 3.08Å; L172-Y207 HydrophobicContact CD1-CD1 3.96Å; L172-Y207 HydrophobicContact CD1-CD2 4.15Å; L172-Y207 HydrophobicContact CD1-CE1 3.51Å; L172-Y207 HydrophobicContact CD1-CE2 3.72Å; L172-Y207 HydrophobicContact CD1-CG 4.26Å; H174-Y207 AromaticContact CE1-CE1 3.88Å; Q183-Y207 HydrophobicContact CB-CE1 3.83Å; Q183-Y207 WeakPolarHBondContact O-CE1 3.29Å; Q183-Y207 PolarHBondContact O-OH 3.33Å; W187-Y207 AromaticContact CD1-CE2 3.63Å; W187-Y207 AromaticContact CD1-CZ 3.75Å; W187-Y207 AromaticContact NE1-CE2 3.39Å; W187-Y207 AromaticContact NE1-CZ 3.47Å; W187-Y207 PolarHBondContact NE1-OH 3.04Å; L203-Y207 WeakPolarHBondContact O-CD2 3.29Å; L203-Y207 PolarHBondContact O-N 3.37Å
208A94.5Very high84.9Confident0 Ų051.4 Ų51.40%026%0.26CS..SBendtrans-138.455.3-174.100000111.3M155 C158 Y163 M166 C204 V210M155-A208 HydrophobicContact CE-CB 3.91Å; M155-A208 HydrophobicContact SD-CB 4.05Å; C158-A208 HydrophobicContact CB-CB 4.19Å; Y163-A208 WeakPolarHBondContact CE2-O 3.23Å; Y163-A208 PolarHBondContact OH-O 3.29Å; M166-A208 HydrophobicContact CB-CB 4Å; M166-A208 HydrophobicContact CE-CB 4.16Å; M166-A208 HydrophobicContact CG-CB 4.49Å; M166-A208 HydrophobicContact SD-CB 3.72Å; C204-A208 CarbonylContact O-C 3.59Å; C204-A208 WeakPolarHBondContact O-CA 3.31Å; C204-A208 PolarHBondContact O-N 3.31Å; A208-V210 PolarHBondContact O-N 3.27Å
209P92.9Very high84.4Confident3 Ų352.9 Ų52.92%0.01927%0.268CS..PPolyproline II helixtrans-57.9134.5-17425.7-35000111.4M166 I167 N170 C211 L219M166-P209 CarbonylContact C-O 3.48Å; M166-P209 WeakPolarHBondContact CA-O 3.46Å; I167-P209 PolarHBondContact N-O 2.59Å; N170-P209 HydrophobicContact CB-CG 4.06Å; P209-C211 PolarHBondContact O-N 3.2Å; P209-L219 HydrophobicContact CB-CD2 4.02Å; P209-L219 HydrophobicContact CG-CD2 3.8Å
210V89.8Confident83.9Confident46 Ų4655.5 Ų55.528%0.27928%0.281SS..BIsolated β-bridgetrans-56.9130.3-170.360.20000113.3Y163 A208 V212Y163-V210 HydrophobicContact CD1-CB 4.29Å; Y163-V210 HydrophobicContact CD1-CG2 4.16Å; Y163-V210 HydrophobicContact CD2-CB 3.88Å; Y163-V210 HydrophobicContact CD2-CG2 3.77Å; Y163-V210 HydrophobicContact CE1-CB 4.23Å; Y163-V210 HydrophobicContact CE2-CB 3.8Å; Y163-V210 HydrophobicContact CE2-CG2 4.23Å; Y163-V210 HydrophobicContact CG-CB 4.12Å; Y163-V210 HydrophobicContact CG-CG2 3.72Å; A208-V210 PolarHBondContact O-N 3.27Å; V210-V212 HydrophobicContact CG1-CG2 4.33Å; V210-V212 HydrophobicContact CG2-CG2 4.38Å
211C89.4Confident83.6Confident24 Ų2453.9 Ų53.916%0.16228%0.278CS..PPolyproline II helixtrans-74.4127.5164.1175.20000109.9C148 G165 I167 P209C148-C211 HydrophobicContact CB-CB 3.73Å; C148-C211 WeakPolarHBondContact CB-SG 3.33Å; C148-C211 WeakPolarHBondContact SG-CB 3.28Å; C148-C211 CovalentContact SG-SG 2.03Å; C148-C211 PolarHBondContact SG-SG 3.32Å; G165-C211 PolarHBondContact O-N 2.81Å; I167-C211 HydrophobicContact CG1-CB 4.14Å; P209-C211 PolarHBondContact O-N 3.2Å
212V81.4Confident83.6Confident62 Ų6250.8 Ų50.838%0.37626%0.264SS..  trans-118.2121.4170.7-178.90000108.1V210 G214 H215V210-V212 HydrophobicContact CG1-CG2 4.33Å; V210-V212 HydrophobicContact CG2-CG2 4.38Å; V212-G214 PolarHBondContact O-N 3Å; V212-H215 HydrophobicContact CB-CB 4.17Å; V212-H215 HydrophobicContact CG1-CB 4.06Å; V212-H215 CarbonylContact O-C 3.56Å; V212-H215 PolarHBondContact O-N 3.41Å
213D73.1Confident83.5Confident146 Ų14650.9 Ų50.978%0.78127%0.265SS*.THydrogen-bonded Turntrans-58.7131.3-179.5-62.9-53.8000110.9H215D213-H215 PolarHBondContact O-N 2.77Å
214G67.3Low83.4Confident71 Ų7153.8 Ų53.873%0.73228%0.278SS*.THydrogen-bonded Turntrans75.3-3.8-174.700000116.1V212V212-G214 PolarHBondContact O-N 3Å
215H65.5Low83.2Confident136 Ų13657.8 Ų57.863%0.6330%0.3SS*.  trans-127.237.3-179.4-70.1-4.5000112.7V212 D213 E217V212-H215 HydrophobicContact CB-CB 4.17Å; V212-H215 HydrophobicContact CG1-CB 4.06Å; V212-H215 CarbonylContact O-C 3.56Å; V212-H215 PolarHBondContact O-N 3.41Å; D213-H215 PolarHBondContact O-N 2.77Å; H215-E217 PolarHBondContact O-N 3.39Å; H215-E217 VanDerWaalsContact O-N 3.08Å
216Q59.5Low83.2Confident93 Ų9357.7 Ų57.744%0.43530%0.299SS..THydrogen-bonded Turntrans-62.8-15.9-172.6-66.7177.7-19.900115.3Q146Q146-Q216 WeakPolarHBondContact CB-O 3.23Å; Q146-Q216 PolarHBondContact OE1-O 3.35Å
217E60Low83.2Confident105 Ų10557.5 Ų57.549%0.49130%0.298SS..THydrogen-bonded Turntrans-88.7-11.4-171.5-62.6-179.2162.500115.1Y143 Q146 H215Y143-E217 HydrophobicContact CE1-CG 4.09Å; Q146-E217 PolarHBondContact NE2-O 3.2Å; H215-E217 PolarHBondContact O-N 3.39Å; H215-E217 VanDerWaalsContact O-N 3.08Å
218R67.4Low83.2Confident207 Ų20759.7 Ų59.778%0.78131%0.308SS*.  trans-122.189.8-167.7-65.2-174.2-177.3-172.91.2112.3
219L81.8Confident83Confident43 Ų4360.6 Ų60.623%0.22531%0.313CS..  trans-55.5142.5161.3-51.7-177.6000110.1I167 Y171 P209I167-L219 HydrophobicContact CB-CD2 3.87Å; I167-L219 HydrophobicContact CD1-CD2 4.15Å; I167-L219 HydrophobicContact CG2-CD2 3.75Å; Y171-L219 HydrophobicContact CD1-CD1 4.03Å; Y171-L219 HydrophobicContact CD2-CB 4.49Å; Y171-L219 HydrophobicContact CE1-CB 3.8Å; Y171-L219 HydrophobicContact CE1-CD1 3.97Å; Y171-L219 HydrophobicContact CE2-CB 3.74Å; Y171-L219 HydrophobicContact CG-CD1 4.32Å; Y171-L219 WeakPolarHBondContact OH-CB 3.37Å; Y171-L219 PolarHBondContact OH-O 3.32Å; P209-L219 HydrophobicContact CB-CD2 4.02Å; P209-L219 HydrophobicContact CG-CD2 3.8Å
220I84.8Confident83.1Confident56 Ų5660.5 Ų60.529%0.28731%0.312SS..  trans-116.7115.8179.3-49.3178.2000110.1Y171 I263Y171-I220 WeakPolarHBondContact OH-CA 3.01Å; Y171-I220 PolarHBondContact OH-N 3.38Å; I220-I263 HydrophobicContact CB-CG1 4.41Å; I220-I263 HydrophobicContact CG2-CG1 3.94Å; I220-I263 WeakPolarHBondContact O-CD1 3.08Å
221H88.1Confident83.3Confident63 Ų6362.4 Ų62.429%0.29232%0.315SS..PPolyproline II helixtrans-68.1153.6-178.8-71.4-82.1000111.8Y171 P255 C262 I263Y171-H221 AromaticContact CD1-CE1 3.56Å; Y171-H221 AromaticContact CD1-ND1 3.88Å; Y171-H221 AromaticContact CE1-CD2 3.9Å; Y171-H221 AromaticContact CE1-CE1 3.06Å; Y171-H221 WeakPolarHBondContact CE1-CE1 3.36Å; Y171-H221 AromaticContact CE1-CG 3.93Å; Y171-H221 AromaticContact CE1-ND1 3.42Å; Y171-H221 WeakPolarHBondContact CE1-ND1 3.46Å; Y171-H221 AromaticContact CE1-NE2 3.37Å; Y171-H221 WeakPolarHBondContact CE1-NE2 3.47Å; Y171-H221 AromaticContact CE2-ND1 3.95Å; Y171-H221 AromaticContact CZ-CD2 3.73Å; Y171-H221 AromaticContact CZ-CE1 3.54Å; Y171-H221 AromaticContact CZ-CG 3.55Å; Y171-H221 AromaticContact CZ-ND1 3.42Å; Y171-H221 AromaticContact CZ-NE2 3.72Å; Y171-H221 PolarHBondContact OH-CD2 3.17Å; Y171-H221 VanDerWaalsContact OH-CG 3.29Å; Y171-H221 PolarHBondContact OH-N 3.47Å; H221-P255 HydrophobicContact CB-CG 4.05Å; H221-C262 CarbonylContact O-C 3.58Å; H221-C262 VanDerWaalsContact O-CA 3.24Å; H221-C262 WeakPolarHBondContact O-CA 3.44Å; H221-C262 VanDerWaalsContact O-CB 3.31Å; H221-C262 WeakPolarHBondContact O-CB 3.37Å; H221-I263 PolarHBondContact O-N 3.39Å
222P92.7Very high83.4Confident0 Ų067.6 Ų67.60%033%0.331CS..BIsolated β-bridgetrans-59.7145.2156.928.6-33.7000110.4F202 L206 L226 F254F202-P222 HydrophobicContact CD2-CB 3.65Å; F202-P222 HydrophobicContact CD2-CG 3.85Å; F202-P222 HydrophobicContact CE2-CB 3.99Å; F202-P222 HydrophobicContact CE2-CG 3.74Å; L206-P222 HydrophobicContact CD2-CG 3.98Å; L206-P222 HydrophobicContact CG-CG 4.5Å; P222-L226 HydrophobicContact CB-CD2 3.86Å; P222-L226 HydrophobicContact CB-CG 4.46Å; P222-F254 HydrophobicContact CG-CD1 3.85Å; P222-F254 HydrophobicContact CG-CD2 4.33Å; P222-F254 HydrophobicContact CG-CE1 3.86Å; P222-F254 HydrophobicContact CG-CE2 4.34Å; P222-F254 HydrophobicContact CG-CG 4.12Å; P222-F254 HydrophobicContact CG-CZ 4.12Å; P222-F254 WeakPolarHBondContact O-CB 3.46Å
223C93.4Very high83.7Confident1 Ų166.1 Ų66.11%0.00732%0.323CS..PPolyproline II helixtrans-70.5152.3172.3-630000111.5N225 L226 C227 S257 C262 I263C223-N225 VanDerWaalsContact C-N 3.27Å; C223-N225 WeakPolarHBondContact CB-OD1 3.42Å; C223-N225 PolarHBondContact O-N 2.67Å; C223-L226 WeakPolarHBondContact O-CB 3.35Å; C223-L226 PolarHBondContact O-N 3.03Å; C223-L226 VanDerWaalsContact O-N 3.16Å; C223-C227 PolarHBondContact O-N 3.23Å; C223-C227 VanDerWaalsContact O-N 3.13Å; C223-S257 PolarHBondContact SG-OG 2.96Å; C223-S257 VanDerWaalsContact SG-OG 3.33Å; C223-C262 WeakPolarHBondContact CA-SG 3.45Å; C223-C262 HydrophobicContact CB-CB 3.95Å; C223-C262 WeakPolarHBondContact CB-SG 3.36Å; C223-C262 WeakPolarHBondContact SG-CB 3.27Å; C223-C262 PolarHBondContact SG-O 3.27Å; C223-C262 VanDerWaalsContact SG-O 3.35Å; C223-C262 CovalentContact SG-SG 2.03Å; C223-C262 PolarHBondContact SG-SG 3.35Å; C223-I263 PolarHBondContact N-O 3.06Å; C223-I263 VanDerWaalsContact SG-C 3.5Å; C223-I263 PolarHBondContact SG-O 3.38Å
224Q93Very high84.7Confident61 Ų6159.2 Ų59.229%0.28529%0.286SS..Hα-helixtrans-56.8-38.3177.8-176.8170.88.800113C227 E228 C251 F254 P255 T256Q224-C227 PolarHBondContact O-N 3.12Å; Q224-E228 WeakPolarHBondContact O-CG 3.29Å; Q224-E228 PolarHBondContact O-N 2.98Å; Q224-C251 HydrophobicContact CG-CB 4.44Å; Q224-C251 WeakPolarHBondContact CG-O 3.31Å; Q224-F254 HydrophobicContact CB-CB 4.44Å; Q224-P255 PolarHBondContact N-O 3.33Å; Q224-T256 PolarHBondContact OE1-OG1 3.3Å
225N90.5Very high85.9Confident84 Ų8457.9 Ų57.945%0.44926%0.262SS..Hα-helixtrans-65.9-39.7177.760.3-6.7000112.9C223 E228 D229C223-N225 VanDerWaalsContact C-N 3.27Å; C223-N225 WeakPolarHBondContact CB-OD1 3.42Å; C223-N225 PolarHBondContact O-N 2.67Å; N225-E228 PolarHBondContact O-N 3.46Å; N225-D229 PolarHBondContact O-N 2.81Å
226L92.9Very high87Confident0 Ų054.7 Ų54.70%025%0.253CS..Hα-helixtrans-59.9-46.7172.2165.260000111D198 F202 P222 C223 E228 D229 V230 I263 L265D198-L226 HydrophobicContact CB-CD1 3.56Å; F202-L226 HydrophobicContact CB-CD1 4.4Å; F202-L226 HydrophobicContact CB-CG 4.39Å; F202-L226 HydrophobicContact CD2-CG 4.31Å; P222-L226 HydrophobicContact CB-CD2 3.86Å; P222-L226 HydrophobicContact CB-CG 4.46Å; C223-L226 WeakPolarHBondContact O-CB 3.35Å; C223-L226 PolarHBondContact O-N 3.03Å; C223-L226 VanDerWaalsContact O-N 3.16Å; L226-E228 PolarHBondContact O-N 3.44Å; L226-D229 PolarHBondContact O-N 3.44Å; L226-V230 HydrophobicContact CD1-CG2 3.84Å; L226-V230 WeakPolarHBondContact O-CG2 3.13Å; L226-V230 PolarHBondContact O-N 3.01Å; L226-V230 VanDerWaalsContact O-N 3.11Å; L226-I263 HydrophobicContact CD2-CG2 4.3Å; L226-I263 WeakPolarHBondContact CD2-O 3.43Å; L226-L265 HydrophobicContact CB-CB 4.39Å; L226-L265 HydrophobicContact CD1-CD1 3.88Å
227C95.4Very high88.4Confident0 Ų053.3 Ų53.30%025%0.246CC..Hα-helixtrans-59.3-46.4175.7-179.50000112F202 C223 Q224 D229 R231 V249 C251 F254F202-C227 HydrophobicContact CD2-CB 4.34Å; F202-C227 HydrophobicContact CE2-CB 3.62Å; F202-C227 HydrophobicContact CZ-CB 4.11Å; C223-C227 PolarHBondContact O-N 3.23Å; C223-C227 VanDerWaalsContact O-N 3.13Å; Q224-C227 PolarHBondContact O-N 3.12Å; C227-D229 VanDerWaalsContact C-N 3.33Å; C227-D229 PolarHBondContact O-N 3.03Å; C227-R231 WeakPolarHBondContact O-CB 3.33Å; C227-R231 PolarHBondContact O-N 3.2Å; C227-V249 PolarHBondContact SG-O 2.96Å; C227-C251 HydrophobicContact CB-CB 3.67Å; C227-C251 WeakPolarHBondContact CB-SG 3.24Å; C227-C251 PolarHBondContact O-SG 3.41Å; C227-C251 WeakPolarHBondContact SG-CA 3.29Å; C227-C251 WeakPolarHBondContact SG-CB 3.37Å; C227-C251 CovalentContact SG-SG 2.04Å; C227-C251 PolarHBondContact SG-SG 2.75Å; C227-F254 HydrophobicContact CB-CD2 3.65Å; C227-F254 HydrophobicContact CB-CE2 4.08Å
228E93.6Very high89.9Confident52 Ų5249.1 Ų49.124%0.24323%0.227CC..Hα-helixtrans-65.5-33.5-178.3-76-64.8171.700113.2Q224 N225 L226 R231 R232 C251Q224-E228 WeakPolarHBondContact O-CG 3.29Å; Q224-E228 PolarHBondContact O-N 2.98Å; N225-E228 PolarHBondContact O-N 3.46Å; L226-E228 PolarHBondContact O-N 3.44Å; E228-R231 IonicContact OE1-CZ 3.6Å; E228-R231 IonicContact OE1-NE 2.72Å; E228-R231 IonicContact OE1-NH2 2.63Å; E228-R231 PolarHBondContact OE1-NH2 2.98Å; E228-R231 IonicContact OE2-CZ 3.62Å; E228-R231 IonicContact OE2-NE 2.69Å; E228-R231 PolarHBondContact OE2-NE 3.27Å; E228-R231 IonicContact OE2-NH2 3.46Å; E228-R231 PolarHBondContact OE2-NH2 3.46Å; E228-R232 VanDerWaalsContact O-CB 3.28Å; E228-R232 WeakPolarHBondContact O-CB 3.32Å; E228-R232 PolarHBondContact O-N 3.26Å; E228-R232 PolarHBondContact O-NH2 3.37Å; E228-C251 HydrophobicContact CG-CB 3.88Å; E228-C251 PolarHBondContact N-SG 2.93Å; E228-C251 WeakPolarHBondContact OE1-CB 3.44Å
229D90.9Very high91.2Very high20 Ų2044.3 Ų44.311%0.10722%0.216CC..Hα-helixtrans-71.9-46.7177.3-131.954.4000112.6H196 N225 L226 C227 R232 S233 L265H196-D229 IonicContact NE2-OD2 2.92Å; H196-D229 PolarHBondContact NE2-OD2 3.44Å; N225-D229 PolarHBondContact O-N 2.81Å; L226-D229 PolarHBondContact O-N 3.44Å; C227-D229 VanDerWaalsContact C-N 3.33Å; C227-D229 PolarHBondContact O-N 3.03Å; D229-R232 PolarHBondContact O-N 3.24Å; D229-R232 IonicContact OD1-CZ 3.19Å; D229-R232 IonicContact OD1-NH1 2.75Å; D229-R232 PolarHBondContact OD1-NH1 2.9Å; D229-R232 IonicContact OD1-NH2 2.87Å; D229-R232 PolarHBondContact OD1-NH2 2.7Å; D229-S233 PolarHBondContact O-N 2.04Å; D229-S233 PolarHBondContact O-OG 3.36Å; D229-L265 HydrophobicContact CB-CD1 3.84Å; D229-L265 HydrophobicContact CB-CD2 4.39Å
230V94Very high91.4Very high0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-60.5-46.1173.4174.90000110.2H196 D198 L199 F202 L226 R232 S233 C234 W245H196-V230 HydrophobicContact CB-CG2 4.39Å; H196-V230 WeakPolarHBondContact ND1-CG2 3.47Å; D198-V230 HydrophobicContact CB-CG2 4.34Å; L199-V230 HydrophobicContact CB-CG1 4.21Å; L199-V230 HydrophobicContact CD1-CG1 3.53Å; L199-V230 HydrophobicContact CG-CG1 4.48Å; F202-V230 HydrophobicContact CB-CG2 4.12Å; F202-V230 HydrophobicContact CD1-CG1 4.05Å; F202-V230 HydrophobicContact CG-CG1 4.48Å; F202-V230 HydrophobicContact CG-CG2 4.47Å; L226-V230 HydrophobicContact CD1-CG2 3.84Å; L226-V230 WeakPolarHBondContact O-CG2 3.13Å; L226-V230 PolarHBondContact O-N 3.01Å; L226-V230 VanDerWaalsContact O-N 3.11Å; V230-R232 PolarHBondContact O-N 3.44Å; V230-S233 PolarHBondContact O-N 3.13Å; V230-C234 VanDerWaalsContact O-CB 3.27Å; V230-C234 WeakPolarHBondContact O-CB 3.46Å; V230-C234 PolarHBondContact O-N 2.82Å; V230-W245 HydrophobicContact CG1-CH2 4.2Å
231R94.4Very high91.6Very high86 Ų8650.3 Ų50.333%0.32524%0.24SC..Hα-helixtrans-58.1-49.5177.1-179.3172.581.9130.5-3.2111.6C227 E228 S233 C234 L235 W245C227-R231 WeakPolarHBondContact O-CB 3.33Å; C227-R231 PolarHBondContact O-N 3.2Å; E228-R231 IonicContact OE1-CZ 3.6Å; E228-R231 IonicContact OE1-NE 2.72Å; E228-R231 IonicContact OE1-NH2 2.63Å; E228-R231 PolarHBondContact OE1-NH2 2.98Å; E228-R231 IonicContact OE2-CZ 3.62Å; E228-R231 IonicContact OE2-NE 2.69Å; E228-R231 PolarHBondContact OE2-NE 3.27Å; E228-R231 IonicContact OE2-NH2 3.46Å; E228-R231 PolarHBondContact OE2-NH2 3.46Å; R231-S233 VanDerWaalsContact C-N 3.26Å; R231-S233 PolarHBondContact O-N 3.19Å; R231-C234 PolarHBondContact O-N 2.87Å; R231-L235 HydrophobicContact CG-CB 4.46Å; R231-L235 HydrophobicContact CG-CD2 4.47Å; R231-L235 WeakPolarHBondContact O-CB 3.04Å; R231-L235 PolarHBondContact O-N 3.47Å; R231-W245 HydrophobicContact CB-CD2 4.18Å; R231-W245 HydrophobicContact CB-CE3 4.44Å; R231-W245 HydrophobicContact CB-CH2 4.15Å; R231-W245 HydrophobicContact CB-CZ2 3.83Å; R231-W245 HydrophobicContact CB-CZ3 4.43Å; R231-W245 HydrophobicContact CG-CD2 3.67Å; R231-W245 HydrophobicContact CG-CE3 4.06Å; R231-W245 HydrophobicContact CG-CG 3.97Å; R231-W245 HydrophobicContact CG-CZ2 4.25Å
232R90.9Very high91.7Very high134 Ų13450.5 Ų50.551%0.50626%0.26SS..Hα-helixtrans-61.1-36.8-177-162.4-177.4-38.4101.313.2112.4E228 D229 V230 P236E228-R232 VanDerWaalsContact O-CB 3.28Å; E228-R232 WeakPolarHBondContact O-CB 3.32Å; E228-R232 PolarHBondContact O-N 3.26Å; E228-R232 PolarHBondContact O-NH2 3.37Å; D229-R232 PolarHBondContact O-N 3.24Å; D229-R232 IonicContact OD1-CZ 3.19Å; D229-R232 IonicContact OD1-NH1 2.75Å; D229-R232 PolarHBondContact OD1-NH1 2.9Å; D229-R232 IonicContact OD1-NH2 2.87Å; D229-R232 PolarHBondContact OD1-NH2 2.7Å; V230-R232 PolarHBondContact O-N 3.44Å; R232-P236 VanDerWaalsContact O-CD 3.29Å; R232-P236 WeakPolarHBondContact O-CD 3.07Å
233S89.2Confident91.6Very high31 Ų3155.8 Ų55.822%0.21728%0.283CS..Hα-helixtrans-84.3-35.6-177.2-48.80000113C195 D229 V230 R231C195-S233 WeakPolarHBondContact O-CB 3.36Å; D229-S233 PolarHBondContact O-N 2.04Å; D229-S233 PolarHBondContact O-OG 3.36Å; V230-S233 PolarHBondContact O-N 3.13Å; R231-S233 VanDerWaalsContact C-N 3.26Å; R231-S233 PolarHBondContact O-N 3.19Å
234C93.1Very high91.6Very high0 Ų057.9 Ų57.90%031%0.305CS..Hα-helixtrans-95.9-26.3-175.6-68.80000115.3L190 C195 V230 R231 K237 M238 W245L190-C234 HydrophobicContact CD2-CB 4.42Å; C195-C234 VanDerWaalsContact C-SG 3.57Å; C195-C234 HydrophobicContact CB-CB 3.99Å; C195-C234 WeakPolarHBondContact CB-SG 3.22Å; C195-C234 VanDerWaalsContact SG-CA 3.54Å; C195-C234 WeakPolarHBondContact SG-CB 3.47Å; C195-C234 CovalentContact SG-SG 2.04Å; C195-C234 PolarHBondContact SG-SG 2.67Å; V230-C234 VanDerWaalsContact O-CB 3.27Å; V230-C234 WeakPolarHBondContact O-CB 3.46Å; V230-C234 PolarHBondContact O-N 2.82Å; R231-C234 PolarHBondContact O-N 2.87Å; C234-K237 WeakPolarHBondContact O-CA 3.46Å; C234-K237 WeakPolarHBondContact O-CB 3.05Å; C234-K237 PolarHBondContact O-N 2.95Å; C234-M238 PolarHBondContact O-N 3.15Å; C234-W245 HydrophobicContact CB-CZ3 4.43Å
235L93.1Very high91.6Very high43 Ų4356.8 Ų56.823%0.22530%0.298CS..Hα-helixtrans-57.7-40.9177.4178.258000113.4R231 K237 M238 L239 W245R231-L235 HydrophobicContact CG-CB 4.46Å; R231-L235 HydrophobicContact CG-CD2 4.47Å; R231-L235 WeakPolarHBondContact O-CB 3.04Å; R231-L235 PolarHBondContact O-N 3.47Å; L235-K237 PolarHBondContact O-N 2.91Å; L235-K237 VanDerWaalsContact O-N 3.15Å; L235-M238 PolarHBondContact O-N 3.11Å; L235-L239 HydrophobicContact CD1-CD1 4.08Å; L235-L239 HydrophobicContact CD1-CD2 4.41Å; L235-L239 HydrophobicContact CD1-CG 3.9Å; L235-L239 HydrophobicContact CG-CD1 3.99Å; L235-L239 HydrophobicContact CG-CG 4.32Å; L235-L239 WeakPolarHBondContact O-CG 3.04Å; L235-L239 PolarHBondContact O-N 2.82Å; L235-W245 HydrophobicContact CB-CE3 4.39Å; L235-W245 HydrophobicContact CD1-CB 4.05Å
236P89.3Confident91.7Very high69 Ų6955 Ų5545%0.44829%0.291SS..Hα-helixtrans-59.1-25.7173.4-24.835.5000113.6R232 Q240R232-P236 VanDerWaalsContact O-CD 3.29Å; R232-P236 WeakPolarHBondContact O-CD 3.07Å; P236-Q240 WeakPolarHBondContact O-CG 3.34Å; P236-Q240 PolarHBondContact O-NE2 3.42Å
237K87.4Confident91.7Very high65 Ų6559.4 Ų59.428%0.28332%0.315SS..Hα-helixtrans-84.8-38.2176.2-16858.4-179.6176.50112.3L190 T193 C234 L235 L239 Q240 F241L190-K237 HydrophobicContact CD1-CB 4.37Å; L190-K237 HydrophobicContact CD1-CG 4.37Å; T193-K237 HydrophobicContact CG2-CD 4.45Å; T193-K237 HydrophobicContact CG2-CG 3.95Å; C234-K237 WeakPolarHBondContact O-CA 3.46Å; C234-K237 WeakPolarHBondContact O-CB 3.05Å; C234-K237 PolarHBondContact O-N 2.95Å; L235-K237 PolarHBondContact O-N 2.91Å; L235-K237 VanDerWaalsContact O-N 3.15Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 2.95Å; K237-Q240 VanDerWaalsContact CD-OE1 3.24Å; K237-Q240 WeakPolarHBondContact O-CB 3.48Å; K237-Q240 PolarHBondContact O-N 3.31Å; K237-F241 HydrophobicContact CD-CE2 4.23Å; K237-F241 HydrophobicContact CG-CE2 3.97Å; K237-F241 VanDerWaalsContact O-CD2 3.23Å; K237-F241 WeakPolarHBondContact O-CD2 3.35Å; K237-F241 PolarHBondContact O-N 3.4Å
238M92.9Very high91.5Very high16 Ų1662.7 Ų62.78%0.07933%0.331CS..Hα-helixtrans-59.7-42.3171.1-65.2-173.174.300111.8W187 L190 C234 L235 Q240 F241 G242 F243 G244 W245W187-M238 HydrophobicContact CH2-CE 4.36Å; W187-M238 HydrophobicContact CZ3-CE 3.94Å; W187-M238 HydrophobicContact CZ3-SD 4.22Å; L190-M238 HydrophobicContact CD1-CG 3.69Å; L190-M238 HydrophobicContact CD2-CE 4.47Å; L190-M238 HydrophobicContact CD2-CG 3.66Å; L190-M238 HydrophobicContact CD2-SD 3.7Å; L190-M238 HydrophobicContact CG-CG 4.32Å; C234-M238 PolarHBondContact O-N 3.15Å; L235-M238 PolarHBondContact O-N 3.11Å; M238-Q240 VanDerWaalsContact C-N 3.3Å; M238-Q240 PolarHBondContact O-N 3.45Å; M238-F241 CarbonylContact O-C 3.58Å; M238-F241 WeakPolarHBondContact O-CA 3.03Å; M238-F241 PolarHBondContact O-N 3.47Å; M238-G242 PolarHBondContact O-N 2.76Å; M238-G242 VanDerWaalsContact O-N 3.16Å; M238-F243 CarbonylContact C-O 3.56Å; M238-F243 HydrophobicContact CB-CB 4.36Å; M238-F243 WeakPolarHBondContact CB-O 3.38Å; M238-F243 HydrophobicContact CE-CB 4.14Å; M238-F243 PolarHBondContact O-N 3.31Å; M238-G244 WeakPolarHBondContact CE-O 3.4Å; M238-W245 HydrophobicContact SD-CE3 3.54Å; M238-W245 VanDerWaalsContact SD-CE3 3.54Å; M238-W245 HydrophobicContact SD-CZ3 3.67Å
239L93Very high91.4Very high107 Ų10760.2 Ų60.256%0.5632%0.32SS*.Hα-helixtrans-65.3-30178.3-69.9170000113.1L235 K237 F241 G242 F243L235-L239 HydrophobicContact CD1-CD1 4.08Å; L235-L239 HydrophobicContact CD1-CD2 4.41Å; L235-L239 HydrophobicContact CD1-CG 3.9Å; L235-L239 HydrophobicContact CG-CD1 3.99Å; L235-L239 HydrophobicContact CG-CG 4.32Å; L235-L239 WeakPolarHBondContact O-CG 3.04Å; L235-L239 PolarHBondContact O-N 2.82Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 2.95Å; L239-F241 VanDerWaalsContact C-N 3.25Å; L239-F241 PolarHBondContact O-N 2.98Å; L239-G242 PolarHBondContact O-N 3.11Å; L239-G242 VanDerWaalsContact O-N 3.13Å; L239-F243 PolarHBondContact N-O 3.5Å
240Q87.5Confident91.6Very high130 Ų13063.8 Ų63.861%0.60734%0.335SS*.Hα-helixtrans-65.1-30.2171.3-72.1164.733.500112.3P236 K237 M238 G242P236-Q240 WeakPolarHBondContact O-CG 3.34Å; P236-Q240 PolarHBondContact O-NE2 3.42Å; K237-Q240 VanDerWaalsContact CD-OE1 3.24Å; K237-Q240 WeakPolarHBondContact O-CB 3.48Å; K237-Q240 PolarHBondContact O-N 3.31Å; M238-Q240 VanDerWaalsContact C-N 3.3Å; M238-Q240 PolarHBondContact O-N 3.45Å; Q240-G242 VanDerWaalsContact C-N 3.34Å
241F87.7Confident91.6Very high94 Ų9463.9 Ų63.941%0.41234%0.335SS..THydrogen-bonded Turntrans-89.12.6174.1-61-56.9000113.2T193 K237 M238 L239 F243T193-F241 HydrophobicContact CG2-CE2 4.02Å; T193-F241 HydrophobicContact CG2-CZ 4.2Å; K237-F241 HydrophobicContact CD-CE2 4.23Å; K237-F241 HydrophobicContact CG-CE2 3.97Å; K237-F241 VanDerWaalsContact O-CD2 3.23Å; K237-F241 WeakPolarHBondContact O-CD2 3.35Å; K237-F241 PolarHBondContact O-N 3.4Å; M238-F241 CarbonylContact O-C 3.58Å; M238-F241 WeakPolarHBondContact O-CA 3.03Å; M238-F241 PolarHBondContact O-N 3.47Å; L239-F241 VanDerWaalsContact C-N 3.25Å; L239-F241 PolarHBondContact O-N 2.98Å; F241-F243 HydrophobicContact CB-CD2 3.8Å; F241-F243 HydrophobicContact CB-CE2 4.14Å; F241-F243 WeakPolarHBondContact O-CD2 3.45Å; F241-F243 WeakPolarHBondContact O-CE2 3.46Å
242G91Very high91.5Very high68 Ų6864 Ų6470%0.70135%0.349SS*.THydrogen-bonded Turntrans85.95.1-179.800000115.9M238 L239 Q240M238-G242 PolarHBondContact O-N 2.76Å; M238-G242 VanDerWaalsContact O-N 3.16Å; L239-G242 PolarHBondContact O-N 3.11Å; L239-G242 VanDerWaalsContact O-N 3.13Å; Q240-G242 VanDerWaalsContact C-N 3.34Å
243F90.7Very high91.4Very high110 Ų11064.6 Ų64.648%0.48235%0.352SS..  trans-101.5137.1-177.4-60.4-79.9000112.8M238 L239 F241 W567M238-F243 CarbonylContact C-O 3.56Å; M238-F243 HydrophobicContact CB-CB 4.36Å; M238-F243 WeakPolarHBondContact CB-O 3.38Å; M238-F243 HydrophobicContact CE-CB 4.14Å; M238-F243 PolarHBondContact O-N 3.31Å; L239-F243 PolarHBondContact N-O 3.5Å; F241-F243 HydrophobicContact CB-CD2 3.8Å; F241-F243 HydrophobicContact CB-CE2 4.14Å; F241-F243 WeakPolarHBondContact O-CD2 3.45Å; F241-F243 WeakPolarHBondContact O-CE2 3.46Å; F243-W567 HydrophobicContact CZ-CH2 4.45Å; F243-W567 AromaticContact CZ-CZ3 3.99Å; F243-W567 HydrophobicContact CZ-CZ3 3.99Å
244G93.2Very high91.4Very high46 Ų4663.9 Ų63.947%0.47434%0.344SS..  trans-82.6177.216800000112.8M238 P246M238-G244 WeakPolarHBondContact CE-O 3.4Å; G244-P246 VanDerWaalsContact O-CD 3.29Å; G244-P246 WeakPolarHBondContact O-CD 3.38Å
245W93.3Very high91.3Very high37 Ų3764.6 Ų64.614%0.1435%0.349CS..  trans-78.8115.3173-162.4-102.5000110.4F202 V230 R231 C234 L235 M238 V249F202-W245 HydrophobicContact CE1-CH2 4.42Å; F202-W245 HydrophobicContact CE1-CZ2 4.01Å; F202-W245 HydrophobicContact CZ-CZ2 4.42Å; V230-W245 HydrophobicContact CG1-CH2 4.2Å; R231-W245 HydrophobicContact CB-CD2 4.18Å; R231-W245 HydrophobicContact CB-CE3 4.44Å; R231-W245 HydrophobicContact CB-CH2 4.15Å; R231-W245 HydrophobicContact CB-CZ2 3.83Å; R231-W245 HydrophobicContact CB-CZ3 4.43Å; R231-W245 HydrophobicContact CG-CD2 3.67Å; R231-W245 HydrophobicContact CG-CE3 4.06Å; R231-W245 HydrophobicContact CG-CG 3.97Å; R231-W245 HydrophobicContact CG-CZ2 4.25Å; C234-W245 HydrophobicContact CB-CZ3 4.43Å; L235-W245 HydrophobicContact CB-CE3 4.39Å; L235-W245 HydrophobicContact CD1-CB 4.05Å; M238-W245 HydrophobicContact SD-CE3 3.54Å; M238-W245 VanDerWaalsContact SD-CE3 3.54Å; M238-W245 HydrophobicContact SD-CZ3 3.67Å; W245-V249 HydrophobicContact CD2-CG2 4.19Å; W245-V249 HydrophobicContact CG-CG2 4.42Å; W245-V249 HydrophobicContact CZ2-CB 4.19Å; W245-V249 HydrophobicContact CZ2-CG2 3.95Å; W245-V249 PolarHBondContact NE1-O 3.48Å
246P93.2Very high90.9Very high46 Ų4666 Ų6630%0.29936%0.359SS..  trans-67.7148-173.7-22.734.9000114W187 G244 I248 V249 K250W187-P246 HydrophobicContact CH2-CG 3.89Å; W187-P246 HydrophobicContact CZ2-CG 4.28Å; G244-P246 VanDerWaalsContact O-CD 3.29Å; G244-P246 WeakPolarHBondContact O-CD 3.38Å; P246-I248 HydrophobicContact CB-CG1 3.89Å; P246-I248 PolarHBondContact O-N 2.92Å; P246-I248 VanDerWaalsContact O-N 3.17Å; P246-V249 HydrophobicContact CB-CG2 4.19Å; P246-V249 HydrophobicContact CG-CG2 4.32Å; P246-V249 VanDerWaalsContact O-CG2 3.27Å; P246-V249 WeakPolarHBondContact O-CG2 3.38Å; P246-V249 PolarHBondContact O-N 3.02Å; P246-V249 VanDerWaalsContact O-N 3.07Å; P246-K250 PolarHBondContact O-N 3.13Å
247D92.1Very high90Very high93 Ų9365.9 Ų65.950%0.49736%0.36SS..G310 helixtrans-60.7-27.2179.5-84.2-64.1000113.7V249 K250 R253D247-V249 PolarHBondContact O-N 3.33Å; D247-K250 WeakPolarHBondContact O-CB 3.42Å; D247-K250 PolarHBondContact O-N 2.7Å; D247-K250 WeakPolarHBondContact OD1-CD 3.37Å; D247-K250 WeakPolarHBondContact OD1-CE 3.37Å; D247-K250 IonicContact OD1-NZ 3.85Å; D247-K250 PolarHBondContact OD1-NZ 3.33Å; D247-R253 WeakPolarHBondContact O-CD 3.26Å; D247-R253 VanDerWaalsContact O-CZ 3.24Å; D247-R253 PolarHBondContact O-NE 3.16Å
248I90.1Very high89.1Confident69 Ų6967.4 Ų67.435%0.35439%0.385SS..G310 helixtrans-63-27.4176.156.3164.4000113.5L172 W187 P246L172-I248 HydrophobicContact CD2-CB 4.2Å; W187-I248 HydrophobicContact CZ2-CD1 4.46Å; P246-I248 HydrophobicContact CB-CG1 3.89Å; P246-I248 PolarHBondContact O-N 2.92Å; P246-I248 VanDerWaalsContact O-N 3.17Å
249V92.8Very high88Confident1 Ų171.3 Ų71.31%0.00641%0.41CS..G310 helixtrans-109.615.4177.7-69.90000112.2W187 F202 L203 L206 C227 W245 P246 D247 C251W187-V249 HydrophobicContact CH2-CG1 4.29Å; W187-V249 HydrophobicContact CH2-CG2 3.8Å; W187-V249 HydrophobicContact CZ2-CG1 4.1Å; W187-V249 HydrophobicContact CZ2-CG2 4.26Å; F202-V249 HydrophobicContact CE1-CB 4.1Å; F202-V249 HydrophobicContact CE1-CG1 4.01Å; F202-V249 HydrophobicContact CZ-CB 4.01Å; F202-V249 HydrophobicContact CZ-CG1 4.14Å; L203-V249 HydrophobicContact CD2-CG1 4.47Å; L206-V249 HydrophobicContact CD1-CG1 3.8Å; C227-V249 PolarHBondContact SG-O 2.96Å; W245-V249 HydrophobicContact CD2-CG2 4.19Å; W245-V249 HydrophobicContact CG-CG2 4.42Å; W245-V249 HydrophobicContact CZ2-CB 4.19Å; W245-V249 HydrophobicContact CZ2-CG2 3.95Å; W245-V249 PolarHBondContact NE1-O 3.48Å; P246-V249 HydrophobicContact CB-CG2 4.19Å; P246-V249 HydrophobicContact CG-CG2 4.32Å; P246-V249 VanDerWaalsContact O-CG2 3.27Å; P246-V249 WeakPolarHBondContact O-CG2 3.38Å; P246-V249 PolarHBondContact O-N 3.02Å; P246-V249 VanDerWaalsContact O-N 3.07Å; D247-V249 PolarHBondContact O-N 3.33Å; V249-C251 PolarHBondContact O-N 3.34Å
250K94Very high87.1Confident95 Ų9574.6 Ų74.641%0.41342%0.415SS..  trans-64.4120.6-179.9-170.1-175.7-146.81510110.8P246 D247 S252 R253P246-K250 PolarHBondContact O-N 3.13Å; D247-K250 WeakPolarHBondContact O-CB 3.42Å; D247-K250 PolarHBondContact O-N 2.7Å; D247-K250 WeakPolarHBondContact OD1-CD 3.37Å; D247-K250 WeakPolarHBondContact OD1-CE 3.37Å; D247-K250 IonicContact OD1-NZ 3.85Å; D247-K250 PolarHBondContact OD1-NZ 3.33Å; K250-S252 PolarHBondContact O-N 2.92Å; K250-R253 WeakPolarHBondContact O-CB 3.44Å; K250-R253 PolarHBondContact O-N 2.87Å
251C94.2Very high86.9Confident2 Ų276.2 Ų76.21%0.01443%0.425CS..G310 helixtrans-62.9-20.5-167.6-540000115.4Q224 C227 E228 V249 R253 F254Q224-C251 HydrophobicContact CG-CB 4.44Å; Q224-C251 WeakPolarHBondContact CG-O 3.31Å; C227-C251 HydrophobicContact CB-CB 3.67Å; C227-C251 WeakPolarHBondContact CB-SG 3.24Å; C227-C251 PolarHBondContact O-SG 3.41Å; C227-C251 WeakPolarHBondContact SG-CA 3.29Å; C227-C251 WeakPolarHBondContact SG-CB 3.37Å; C227-C251 CovalentContact SG-SG 2.04Å; C227-C251 PolarHBondContact SG-SG 2.75Å; E228-C251 HydrophobicContact CG-CB 3.88Å; E228-C251 PolarHBondContact N-SG 2.93Å; E228-C251 WeakPolarHBondContact OE1-CB 3.44Å; V249-C251 PolarHBondContact O-N 3.34Å; C251-R253 PolarHBondContact O-N 2.03Å; C251-F254 PolarHBondContact O-N 3Å; C251-F254 VanDerWaalsContact O-N 3.17Å
252S91.9Very high87Confident88 Ų8872.5 Ų72.562%0.61541%0.41SS*.G310 helixtrans-67-9.3172.165.10000114.5K250K250-S252 PolarHBondContact O-N 2.92Å
253R88.9Confident86.9Confident147 Ų14771 Ų7156%0.55539%0.386SS*.G310 helixtrans-83.4-10.2172.7-65-175.9173.5-154.90.8113.4D247 K250 C251D247-R253 WeakPolarHBondContact O-CD 3.26Å; D247-R253 VanDerWaalsContact O-CZ 3.24Å; D247-R253 PolarHBondContact O-NE 3.16Å; K250-R253 WeakPolarHBondContact O-CB 3.44Å; K250-R253 PolarHBondContact O-N 2.87Å; C251-R253 PolarHBondContact O-N 2.03Å
254F90.7Very high86.8Confident15 Ų1569.3 Ų69.37%0.06639%0.386CS..SBendtrans-106.7146.6-172.3-60-48.7000111.8F202 L206 P222 Q224 C227 C251F202-F254 HydrophobicContact CE2-CD2 4.22Å; F202-F254 AromaticContact CE2-CE2 3.66Å; F202-F254 HydrophobicContact CE2-CE2 3.66Å; F202-F254 HydrophobicContact CE2-CZ 4.18Å; F202-F254 AromaticContact CZ-CE2 3.79Å; F202-F254 HydrophobicContact CZ-CE2 3.79Å; F202-F254 HydrophobicContact CZ-CZ 4.27Å; L206-F254 HydrophobicContact CD1-CZ 3.97Å; L206-F254 HydrophobicContact CD2-CE1 3.68Å; L206-F254 HydrophobicContact CD2-CZ 3.93Å; P222-F254 HydrophobicContact CG-CD1 3.85Å; P222-F254 HydrophobicContact CG-CD2 4.33Å; P222-F254 HydrophobicContact CG-CE1 3.86Å; P222-F254 HydrophobicContact CG-CE2 4.34Å; P222-F254 HydrophobicContact CG-CG 4.12Å; P222-F254 HydrophobicContact CG-CZ 4.12Å; P222-F254 WeakPolarHBondContact O-CB 3.46Å; Q224-F254 HydrophobicContact CB-CB 4.44Å; C227-F254 HydrophobicContact CB-CD2 3.65Å; C227-F254 HydrophobicContact CB-CE2 4.08Å; C251-F254 PolarHBondContact O-N 3Å; C251-F254 VanDerWaalsContact O-N 3.17Å
255P89.4Confident86.4Confident16 Ų1668.5 Ų68.510%0.10437%0.37CS..  trans-70142.4-179.329.2-35.7000112H221 Q224 R260 C262H221-P255 HydrophobicContact CB-CG 4.05Å; Q224-P255 PolarHBondContact N-O 3.33Å; P255-R260 HydrophobicContact CB-CB 4.04Å; P255-R260 HydrophobicContact CG-CB 4.47Å; P255-C262 HydrophobicContact CG-CB 3.79Å
256T84.6Confident85.9Confident71 Ų7170.2 Ų70.244%0.43639%0.385SS..  trans-69.8143.5157.6-66.10000108.9Q224 A258 T259Q224-T256 PolarHBondContact OE1-OG1 3.3Å; T256-A258 HydrophobicContact CG2-CB 4.29Å; T256-A258 PolarHBondContact O-N 2.93Å; T256-T259 PolarHBondContact O-N 3.12Å
257S71.5Confident84.4Confident67 Ų6776.4 Ų76.447%0.46941%0.41SS..THydrogen-bonded Turntrans-60.8-14.2-176.2-47.50000115C223C223-S257 PolarHBondContact SG-OG 2.96Å; C223-S257 VanDerWaalsContact SG-OG 3.33Å
258A67.8Low82.5Confident98 Ų9876.1 Ų76.181%0.8141%0.406SS*.THydrogen-bonded Turntrans-79.7-17.517300000113.9T256T256-A258 HydrophobicContact CG2-CB 4.29Å; T256-A258 PolarHBondContact O-N 2.93Å
259T70.2Confident80.5Confident98 Ų9883.6 Ų83.660%0.60143%0.429SS*.THydrogen-bonded Turntrans-102.4-40.4-172.4-43.50000112.8T256T256-T259 PolarHBondContact O-N 3.12Å
260R74.5Confident78.3Confident176 Ų17686.5 Ų86.566%0.66444%0.44SS*.SBendtrans-149.2154.3179.5-65.5-172.1175.597.3-0.8110.3P255 C262P255-R260 HydrophobicContact CB-CB 4.04Å; P255-R260 HydrophobicContact CG-CB 4.47Å; R260-C262 PolarHBondContact O-N 3.2Å
261M82.7Confident76.3Confident164 Ų16485.6 Ų85.681%0.80844%0.439SS*.  trans-59.5131.6169.4-174.3-179-69.900110
262C89.4Confident74.5Confident15 Ų1594.2 Ų94.210%0.10147%0.472CS..  trans-151.8159.7-177.357.80000110.5H221 C223 P255 R260 P264H221-C262 CarbonylContact O-C 3.58Å; H221-C262 VanDerWaalsContact O-CA 3.24Å; H221-C262 WeakPolarHBondContact O-CA 3.44Å; H221-C262 VanDerWaalsContact O-CB 3.31Å; H221-C262 WeakPolarHBondContact O-CB 3.37Å; C223-C262 WeakPolarHBondContact CA-SG 3.45Å; C223-C262 HydrophobicContact CB-CB 3.95Å; C223-C262 WeakPolarHBondContact CB-SG 3.36Å; C223-C262 WeakPolarHBondContact SG-CB 3.27Å; C223-C262 PolarHBondContact SG-O 3.27Å; C223-C262 VanDerWaalsContact SG-O 3.35Å; C223-C262 CovalentContact SG-SG 2.03Å; C223-C262 PolarHBondContact SG-SG 3.35Å; P255-C262 HydrophobicContact CG-CB 3.79Å; R260-C262 PolarHBondContact O-N 3.2Å; C262-P264 VanDerWaalsContact O-CD 3.32Å; C262-P264 WeakPolarHBondContact O-CD 3.04Å
263I88.6Confident73Confident37 Ų3790.7 Ų90.719%0.1945%0.447CS..BIsolated β-bridgetrans-73.6115.1178.7-61.3164.6000108.6K201 A205 I220 H221 C223 L226K201-I263 HydrophobicContact CD-CG2 4.46Å; A205-I263 HydrophobicContact CB-CD1 3.67Å; I220-I263 HydrophobicContact CB-CG1 4.41Å; I220-I263 HydrophobicContact CG2-CG1 3.94Å; I220-I263 WeakPolarHBondContact O-CD1 3.08Å; H221-I263 PolarHBondContact O-N 3.39Å; C223-I263 PolarHBondContact N-O 3.06Å; C223-I263 VanDerWaalsContact SG-C 3.5Å; C223-I263 PolarHBondContact SG-O 3.38Å; L226-I263 HydrophobicContact CD2-CG2 4.3Å; L226-I263 WeakPolarHBondContact CD2-O 3.43Å
264P89.1Confident71.9Confident74 Ų7489.7 Ų89.748%0.48146%0.462SS..PPolyproline II helixtrans-77163.7-176.132.6-36.3000112.1K201 C262 T266K201-P264 PolarHBondContact NZ-O 2.6Å; C262-P264 VanDerWaalsContact O-CD 3.32Å; C262-P264 WeakPolarHBondContact O-CD 3.04Å; P264-T266 PolarHBondContact O-N 3.3Å
265L86.4Confident71.1Confident29 Ų2989.2 Ų89.215%0.15246%0.462CS..PPolyproline II helixtrans-53.9131.6160.9-171.972000108.8L226 D229 Q267 Q268L226-L265 HydrophobicContact CB-CB 4.39Å; L226-L265 HydrophobicContact CD1-CD1 3.88Å; D229-L265 HydrophobicContact CB-CD1 3.84Å; D229-L265 HydrophobicContact CB-CD2 4.39Å; L265-Q267 PolarHBondContact O-N 3.2Å; L265-Q268 HydrophobicContact CD2-CG 3.99Å
266T82.8Confident70.9Confident74 Ų7489.7 Ų89.745%0.45447%0.465SS..PPolyproline II helixtrans-63.7123.3171.5-550000107.3D198 K201 P264 Q268D198-T266 VanDerWaalsContact CG-OG1 3.27Å; D198-T266 VanDerWaalsContact OD1-CB 3.29Å; D198-T266 WeakPolarHBondContact OD1-CB 3.35Å; D198-T266 PolarHBondContact OD1-OG1 3.05Å; D198-T266 VanDerWaalsContact OD2-CB 3.31Å; D198-T266 WeakPolarHBondContact OD2-CB 3.3Å; D198-T266 PolarHBondContact OD2-N 3.07Å; D198-T266 PolarHBondContact OD2-OG1 3.46Å; K201-T266 PolarHBondContact NZ-OG1 2.04Å; P264-T266 PolarHBondContact O-N 3.3Å; T266-Q268 PolarHBondContact O-N 3.17Å
267Q61.4Low70.9Confident175 Ų17587.7 Ų87.782%0.81845%0.453SS*.THydrogen-bonded Turntrans-19.1118-172-73.6-176-10.500113.5L265 R269L265-Q267 PolarHBondContact O-N 3.2Å; Q267-R269 VanDerWaalsContact C-N 3.32Å; Q267-R269 PolarHBondContact O-N 2.95Å
268Q51.2Low71.6Confident88 Ų8890 Ų9041%0.41146%0.457SS..THydrogen-bonded Turntrans-39.891.5-176.8-77.4-174.5-17.500112.5L265 T266 R270 N310 N311L265-Q268 HydrophobicContact CD2-CG 3.99Å; T266-Q268 PolarHBondContact O-N 3.17Å; Q268-R270 PolarHBondContact O-N 3.39Å; Q268-N310 PolarHBondContact NE2-O 3.16Å; Q268-N310 PolarHBondContact OE1-O 3.08Å; Q268-N311 PolarHBondContact NE2-OD1 3.16Å
269R49Very low72.4Confident225 Ų22593.3 Ų93.385%0.84946%0.455SS*.  trans-73.486.5157.7-61.9-162.477154.35.3103.1Q267 L271Q267-R269 VanDerWaalsContact C-N 3.32Å; Q267-R269 PolarHBondContact O-N 2.95Å; R269-L271 PolarHBondContact O-N 2.87Å
270R46.4Very low73.3Confident62 Ų6288.9 Ų88.923%0.23443%0.428CS..  trans-23.2120.4179-66.1170.8179.8-179-8.1107.9Q268 R272 E344 D349Q268-R270 PolarHBondContact O-N 3.39Å; R270-R272 PolarHBondContact O-N 3.02Å; R270-E344 HydrophobicContact CB-CB 3.63Å; R270-E344 VanDerWaalsContact CD-OE1 3.24Å; R270-E344 WeakPolarHBondContact CD-OE1 3.35Å; R270-E344 HydrophobicContact CG-CB 4.35Å; R270-E344 IonicContact CZ-OE1 2.65Å; R270-E344 IonicContact NE-OE1 3.61Å; R270-E344 IonicContact NH1-OE1 2.67Å; R270-E344 PolarHBondContact NH1-OE1 3.37Å; R270-D349 IonicContact NH1-OD2 2.72Å; R270-D349 PolarHBondContact NH1-OD2 3.08Å
271L52.6Low74.1Confident76 Ų7683.6 Ų83.640%0.39842%0.415SS..  trans-47.2119.7177.4-82.974.3000106.7R269 C273 C343 E344R269-L271 PolarHBondContact O-N 2.87Å; L271-C273 PolarHBondContact O-N 3.45Å; L271-C343 HydrophobicContact CB-CB 4.4Å; L271-C343 CarbonylContact O-C 3.14Å; L271-C343 VanDerWaalsContact O-CA 3.29Å; L271-C343 WeakPolarHBondContact O-CA 3.37Å; L271-C343 WeakPolarHBondContact O-CB 3.46Å; L271-E344 PolarHBondContact O-N 2.95Å
272R54.9Low74.5Confident183 Ų18379.3 Ų79.369%0.69139%0.392SS*.BIsolated β-bridgetrans-64.4124.7172.5-84.2-173.9163.8-164.9-7.2106R270 S274R270-R272 PolarHBondContact O-N 3.02Å; R272-S274 PolarHBondContact O-N 3.28Å
273C60.8Low74.5Confident15 Ų1584.6 Ų84.610%0.10142%0.415CS..  trans-58.6110177.2-52.50000107.3L271 G275 C276 V341 C343 E344L271-C273 PolarHBondContact O-N 3.45Å; C273-G275 PolarHBondContact O-N 3.25Å; C273-G275 VanDerWaalsContact O-N 3.09Å; C273-C276 HydrophobicContact CB-CB 3.75Å; C273-C276 WeakPolarHBondContact CB-SG 3.26Å; C273-C276 PolarHBondContact O-N 2.81Å; C273-C276 VanDerWaalsContact SG-SG 3.68Å; C273-V341 VanDerWaalsContact SG-CG1 3.52Å; C273-C343 HydrophobicContact CB-CB 3.97Å; C273-C343 WeakPolarHBondContact CB-SG 3.49Å; C273-C343 WeakPolarHBondContact SG-CB 3.06Å; C273-C343 CovalentContact SG-SG 2.03Å; C273-C343 PolarHBondContact SG-SG 2.8Å; C273-E344 PolarHBondContact N-O 3.42Å; C273-E344 PolarHBondContact SG-O 3.29Å
274S65.8Low74.5Confident125 Ų12584.4 Ų84.487%0.87442%0.417SS*.THydrogen-bonded Turntrans-62.7-21.6-176.353.20000112.3R272R272-S274 PolarHBondContact O-N 3.28Å
275G73.6Confident74.7Confident5 Ų580.9 Ų80.95%0.05239%0.394CS..EExtended strand (participates in β ladder)trans-100.413.7169.100000116.3C273 V277 E378 Y379 L380C273-G275 PolarHBondContact O-N 3.25Å; C273-G275 VanDerWaalsContact O-N 3.09Å; G275-V277 VanDerWaalsContact C-N 3.26Å; G275-V277 WeakPolarHBondContact O-CG2 3.18Å; G275-V277 PolarHBondContact O-N 2.78Å; G275-E378 VanDerWaalsContact CA-O 3.28Å; G275-E378 WeakPolarHBondContact CA-O 3.29Å; G275-E378 PolarHBondContact N-O 3.37Å; G275-Y379 CarbonylContact O-C 3.5Å; G275-Y379 WeakPolarHBondContact O-CA 3.49Å; G275-L380 PolarHBondContact O-N 3.1Å; G275-L380 VanDerWaalsContact O-O 3.09Å
276C85Confident74.9Confident26 Ų2680.4 Ų80.418%0.17639%0.392CS..EExtended strand (participates in β ladder)trans-77.183.3163.3-87.20000109.5C273 C345 L380C273-C276 HydrophobicContact CB-CB 3.75Å; C273-C276 WeakPolarHBondContact CB-SG 3.26Å; C273-C276 PolarHBondContact O-N 2.81Å; C273-C276 VanDerWaalsContact SG-SG 3.68Å; C276-C345 HydrophobicContact CB-CB 3.99Å; C276-C345 WeakPolarHBondContact CB-SG 3.05Å; C276-C345 WeakPolarHBondContact SG-CB 3.33Å; C276-C345 CovalentContact SG-SG 2.03Å; C276-C345 PolarHBondContact SG-SG 3.1Å; C276-L380 WeakPolarHBondContact CA-O 3.31Å
277V86Confident75.2Confident30 Ų3079.8 Ų79.818%0.18239%0.391CS..  trans-99109.1-168.3-167.10000110.7G275 E279 P280 Y379 L380 S381G275-V277 VanDerWaalsContact C-N 3.26Å; G275-V277 WeakPolarHBondContact O-CG2 3.18Å; G275-V277 PolarHBondContact O-N 2.78Å; V277-E279 WeakPolarHBondContact CG1-O 3.34Å; V277-P280 HydrophobicContact CG1-CB 4.32Å; V277-Y379 HydrophobicContact CB-CE2 4.29Å; V277-Y379 HydrophobicContact CG2-CD2 4.02Å; V277-Y379 HydrophobicContact CG2-CE2 3.55Å; V277-L380 PolarHBondContact N-O 3.35Å; V277-S381 WeakPolarHBondContact O-CB 3.49Å
278E84.6Confident76.7Confident116 Ų11672.6 Ų72.654%0.54236%0.36SS..SBendtrans-63.1-46.8175.9-65.6169.4-172.100110.7P280 N346 L347E278-P280 VanDerWaalsContact O-CD 3.3Å; E278-P280 WeakPolarHBondContact O-CD 3.34Å; E278-N346 PolarHBondContact OE1-ND2 3.27Å; E278-L347 HydrophobicContact CG-CD1 4.22Å; E278-L347 HydrophobicContact CG-CD2 3.91Å; E278-L347 HydrophobicContact CG-CG 3.93Å
279E85.3Confident78.6Confident167 Ų16768.4 Ų68.478%0.7834%0.34SS*.SBendtrans-115.285.9175.9-63.2-150.4136.200112.9V277 T281V277-E279 WeakPolarHBondContact CG1-O 3.34Å; E279-T281 PolarHBondContact O-N 2.04Å
280P89.3Confident80.7Confident4 Ų459.6 Ų59.63%0.02631%0.312CS..  trans-72116.9-174.526.4-35.3000113.3V277 E278 Y379 N387 L390V277-P280 HydrophobicContact CG1-CB 4.32Å; E278-P280 VanDerWaalsContact O-CD 3.3Å; E278-P280 WeakPolarHBondContact O-CD 3.34Å; P280-Y379 WeakPolarHBondContact CB-OH 3.45Å; P280-N387 PolarHBondContact O-ND2 2.88Å; P280-N387 PolarHBondContact O-OD1 3.43Å; P280-L390 HydrophobicContact CB-CD1 4.19Å; P280-L390 HydrophobicContact CG-CB 4.16Å; P280-L390 HydrophobicContact CG-CD1 4.18Å; P280-L390 HydrophobicContact CG-CD2 3.83Å; P280-L390 HydrophobicContact CG-CG 4.27Å
281T90.6Very high82.8Confident66 Ų6661.9 Ų61.941%0.40533%0.327SS..  trans-75.5174173.567.30000112.4E279 S284 A285E279-T281 PolarHBondContact O-N 2.04Å; T281-S284 PolarHBondContact N-OG 2.89Å; T281-S284 VanDerWaalsContact N-OG 3.16Å; T281-S284 PolarHBondContact O-OG 3.17Å; T281-S284 WeakPolarHBondContact OG1-CB 3.32Å; T281-S284 PolarHBondContact OG1-N 3.03Å; T281-S284 VanDerWaalsContact OG1-N 3.16Å; T281-S284 PolarHBondContact OG1-OG 3.03Å; T281-A285 WeakPolarHBondContact O-CB 3.44Å; T281-A285 PolarHBondContact O-N 3.21Å
282F91.7Very high84.6Confident73 Ų7358.4 Ų58.432%0.3231%0.309SS..Hα-helixtrans-70.1-44.1174.5177.1-100.1000111.1I286 R392 A393 A396F282-I286 HydrophobicContact CD2-CG1 4.2Å; F282-I286 HydrophobicContact CE1-CG1 4.2Å; F282-I286 HydrophobicContact CE2-CD1 4.27Å; F282-I286 HydrophobicContact CE2-CG1 3.88Å; F282-I286 HydrophobicContact CZ-CD1 4.42Å; F282-I286 HydrophobicContact CZ-CG1 3.88Å; F282-I286 WeakPolarHBondContact O-CB 3.27Å; F282-I286 WeakPolarHBondContact O-CG1 3.43Å; F282-I286 PolarHBondContact O-N 2.91Å; F282-R392 HydrophobicContact CD2-CB 3.77Å; F282-R392 HydrophobicContact CE2-CB 4.06Å; F282-A393 HydrophobicContact CD2-CB 3.9Å; F282-A393 HydrophobicContact CE2-CB 4.33Å; F282-A396 HydrophobicContact CE2-CB 4.3Å
283E88.5Confident86.3Confident126 Ų12652.7 Ų52.759%0.58929%0.293SS*.Hα-helixtrans-65.6-48.6-175.5-6166.5-144.800110.8I286 S287E283-I286 PolarHBondContact O-N 2.9Å; E283-S287 VanDerWaalsContact O-CB 3.22Å; E283-S287 WeakPolarHBondContact O-CB 3.34Å; E283-S287 PolarHBondContact O-N 3.46Å
284S90.1Very high87.7Confident33 Ų3352 Ų5223%0.23129%0.288CS..Hα-helixtrans-60.9-50.5179580000111.5T281 I286 S287 S288T281-S284 PolarHBondContact N-OG 2.89Å; T281-S284 VanDerWaalsContact N-OG 3.16Å; T281-S284 PolarHBondContact O-OG 3.17Å; T281-S284 WeakPolarHBondContact OG1-CB 3.32Å; T281-S284 PolarHBondContact OG1-N 3.03Å; T281-S284 VanDerWaalsContact OG1-N 3.16Å; T281-S284 PolarHBondContact OG1-OG 3.03Å; S284-I286 VanDerWaalsContact C-N 3.31Å; S284-I286 PolarHBondContact O-N 2.95Å; S284-S287 PolarHBondContact O-N 3.05Å; S284-S288 WeakPolarHBondContact O-CB 3.33Å; S284-S288 PolarHBondContact O-N 3.29Å; S284-S288 PolarHBondContact O-OG 3.46Å
285A92.1Very high89.1Confident0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-62.3-36.2-179.600000112.8T281 F289 M365 L390 A393 M397T281-A285 WeakPolarHBondContact O-CB 3.44Å; T281-A285 PolarHBondContact O-N 3.21Å; A285-F289 VanDerWaalsContact O-CB 3.27Å; A285-F289 WeakPolarHBondContact O-CB 3.42Å; A285-F289 PolarHBondContact O-N 3.03Å; A285-F289 VanDerWaalsContact O-N 3.13Å; A285-M365 WeakPolarHBondContact O-CE 3.36Å; A285-L390 HydrophobicContact CB-CD1 4.3Å; A285-A393 HydrophobicContact CB-CB 3.8Å; A285-M397 HydrophobicContact CB-CE 3.93Å; A285-M397 WeakPolarHBondContact O-CE 3.48Å
286I92.1Very high90Very high19 Ų1945.8 Ų45.810%0.09724%0.244CC..Hα-helixtrans-77.2-40.7178.2-64.9-67.9000111.6F282 E283 S284 F289 C290 A393 A396 M397 L404F282-I286 HydrophobicContact CD2-CG1 4.2Å; F282-I286 HydrophobicContact CE1-CG1 4.2Å; F282-I286 HydrophobicContact CE2-CD1 4.27Å; F282-I286 HydrophobicContact CE2-CG1 3.88Å; F282-I286 HydrophobicContact CZ-CD1 4.42Å; F282-I286 HydrophobicContact CZ-CG1 3.88Å; F282-I286 WeakPolarHBondContact O-CB 3.27Å; F282-I286 WeakPolarHBondContact O-CG1 3.43Å; F282-I286 PolarHBondContact O-N 2.91Å; E283-I286 PolarHBondContact O-N 2.9Å; S284-I286 VanDerWaalsContact C-N 3.31Å; S284-I286 PolarHBondContact O-N 2.95Å; I286-F289 PolarHBondContact O-N 2.94Å; I286-C290 PolarHBondContact O-N 3.37Å; I286-C290 PolarHBondContact O-SG 3.16Å; I286-A393 HydrophobicContact CD1-CB 4.07Å; I286-A393 HydrophobicContact CG1-CB 4.11Å; I286-A396 HydrophobicContact CD1-CB 3.98Å; I286-M397 HydrophobicContact CD1-CE 4.14Å; I286-M397 HydrophobicContact CD1-CG 4.13Å; I286-L404 HydrophobicContact CD1-CD1 4.26Å; I286-L404 HydrophobicContact CD1-CD2 3.97Å; I286-L404 HydrophobicContact CD1-CG 4.42Å; I286-L404 HydrophobicContact CG2-CD1 4.34Å; I286-L404 HydrophobicContact CG2-CG 4.32Å
287S89Confident90.4Very high62 Ų6249 Ų4943%0.43425%0.252SS..Hα-helixtrans-59.4-51.2175.7-172.10000111.3E283 S284 F289 C290 M291E283-S287 VanDerWaalsContact O-CB 3.22Å; E283-S287 WeakPolarHBondContact O-CB 3.34Å; E283-S287 PolarHBondContact O-N 3.46Å; S284-S287 PolarHBondContact O-N 3.05Å; S287-F289 VanDerWaalsContact C-N 3.35Å; S287-F289 PolarHBondContact O-N 3.29Å; S287-C290 WeakPolarHBondContact O-CB 3.39Å; S287-C290 PolarHBondContact O-N 3.19Å; S287-M291 PolarHBondContact O-N 3.11Å
288S91.5Very high90.7Very high23 Ų2347.7 Ų47.716%0.16124%0.244CC..Hα-helixtrans-62.3-37.7175.6-61.90000112.8S284 C290 M291 A292 Y379S284-S288 WeakPolarHBondContact O-CB 3.33Å; S284-S288 PolarHBondContact O-N 3.29Å; S284-S288 PolarHBondContact O-OG 3.46Å; S288-C290 PolarHBondContact O-N 3.37Å; S288-M291 PolarHBondContact O-N 3.43Å; S288-A292 VanDerWaalsContact O-CB 3.26Å; S288-A292 WeakPolarHBondContact O-CB 3.41Å; S288-A292 PolarHBondContact O-N 3.33Å; S288-Y379 WeakPolarHBondContact OG-CD2 3.42Å
289F92.8Very high90.9Very high1 Ų144 Ų440%0.00423%0.227CC..Hα-helixtrans-61.8-32.7174169.8-84.4000112.3A285 I286 S287 V295 K326 M365 M397 P401 L404A285-F289 VanDerWaalsContact O-CB 3.27Å; A285-F289 WeakPolarHBondContact O-CB 3.42Å; A285-F289 PolarHBondContact O-N 3.03Å; A285-F289 VanDerWaalsContact O-N 3.13Å; I286-F289 PolarHBondContact O-N 2.94Å; S287-F289 VanDerWaalsContact C-N 3.35Å; S287-F289 PolarHBondContact O-N 3.29Å; F289-V295 HydrophobicContact CD2-CB 4.26Å; F289-V295 HydrophobicContact CD2-CG1 4.13Å; F289-V295 HydrophobicContact CD2-CG2 3.79Å; F289-V295 HydrophobicContact CE2-CG2 4.38Å; F289-V295 HydrophobicContact CG-CG2 4.48Å; F289-K326 HydrophobicContact CE2-CB 4.14Å; F289-K326 HydrophobicContact CE2-CD 4.48Å; F289-K326 HydrophobicContact CZ-CD 4.47Å; F289-K326 WeakPolarHBondContact O-CD 3.39Å; F289-K326 PolarHBondContact O-NZ 2.95Å; F289-M365 VanDerWaalsContact CA-SD 3.53Å; F289-M365 HydrophobicContact CB-CE 4.32Å; F289-M365 HydrophobicContact CB-SD 4.02Å; F289-M365 PolarHBondContact N-SD 2.97Å; F289-M397 HydrophobicContact CB-CE 3.87Å; F289-M397 HydrophobicContact CB-CG 4.37Å; F289-M397 HydrophobicContact CB-SD 4.47Å; F289-M397 HydrophobicContact CD1-CG 4.43Å; F289-M397 HydrophobicContact CD2-CB 4.04Å; F289-M397 HydrophobicContact CD2-CE 4.4Å; F289-M397 HydrophobicContact CD2-CG 3.54Å; F289-M397 HydrophobicContact CD2-SD 3.9Å; F289-M397 HydrophobicContact CE2-CB 3.85Å; F289-M397 HydrophobicContact CE2-CG 3.88Å; F289-M397 HydrophobicContact CG-CE 4.36Å; F289-M397 HydrophobicContact CG-CG 3.86Å; F289-M397 HydrophobicContact CG-SD 4.4Å; F289-M397 HydrophobicContact CZ-CB 4.35Å; F289-M397 HydrophobicContact CZ-CG 4.46Å; F289-P401 HydrophobicContact CE1-CB 4.11Å; F289-P401 HydrophobicContact CZ-CB 4.47Å; F289-L404 HydrophobicContact CD1-CD2 3.96Å; F289-L404 HydrophobicContact CE1-CD2 3.75Å; F289-L404 HydrophobicContact CZ-CD2 4.47Å
290C92.1Very high91Very high39 Ų3936.6 Ų36.626%0.26419%0.193SC..Hα-helixtrans-75.5-40.5176.9-66.10000112.3I286 S287 S288 K326 C405I286-C290 PolarHBondContact O-N 3.37Å; I286-C290 PolarHBondContact O-SG 3.16Å; S287-C290 WeakPolarHBondContact O-CB 3.39Å; S287-C290 PolarHBondContact O-N 3.19Å; S288-C290 PolarHBondContact O-N 3.37Å; C290-K326 PolarHBondContact O-NZ 2.91Å; C290-C405 WeakPolarHBondContact CA-SG 3.45Å; C290-C405 HydrophobicContact CB-CB 3.66Å; C290-C405 WeakPolarHBondContact CB-SG 3.44Å; C290-C405 WeakPolarHBondContact SG-CA 3.32Å; C290-C405 WeakPolarHBondContact SG-CB 3.29Å; C290-C405 CovalentContact SG-SG 2.04Å; C290-C405 PolarHBondContact SG-SG 2.96Å
291M90.2Very high90.9Very high110 Ų11040.3 Ų40.354%0.54222%0.215SC..Hα-helixtrans-77.4-27.3-179.3-65.3-174.3-68.700115.5S287 S288S287-M291 PolarHBondContact O-N 3.11Å; S288-M291 PolarHBondContact O-N 3.43Å
292A91Very high90.6Very high3 Ų343.3 Ų43.33%0.02522%0.22CC..  trans-80.3146.4-178.500000113.2S288 V295 K326 M365 G366S288-A292 VanDerWaalsContact O-CB 3.26Å; S288-A292 WeakPolarHBondContact O-CB 3.41Å; S288-A292 PolarHBondContact O-N 3.33Å; A292-V295 HydrophobicContact CB-CG2 4.23Å; A292-K326 WeakPolarHBondContact O-CD 3.35Å; A292-K326 VanDerWaalsContact O-CE 3.22Å; A292-K326 WeakPolarHBondContact O-CE 3.14Å; A292-K326 PolarHBondContact O-NZ 3.15Å; A292-M365 HydrophobicContact CB-CB 3.63Å; A292-G366 CarbonylContact C-O 3.57Å; A292-G366 WeakPolarHBondContact CB-O 3.26Å
293D89.7Confident90.3Very high64 Ų6440.7 Ų40.734%0.34221%0.209SC..SBendtrans-76.4-41.8172.1-65.5-53.8000111.9P328 G366 K367 I368D293-P328 HydrophobicContact CB-CG 4.36Å; D293-G366 PolarHBondContact N-O 3.22Å; D293-K367 VanDerWaalsContact OD2-CA 3.26Å; D293-K367 WeakPolarHBondContact OD2-CA 3.35Å; D293-K367 WeakPolarHBondContact OD2-CB 3.36Å; D293-I368 HydrophobicContact CB-CG2 4.41Å; D293-I368 PolarHBondContact OD2-N 3.41Å
294V91.2Very high90.1Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-119.6131.8-173.3179.60000108.7I296 K326 L327 P328 M365 G366 L375V294-I296 HydrophobicContact CG1-CD1 3.78Å; V294-I296 HydrophobicContact CG1-CG1 3.76Å; V294-K326 WeakPolarHBondContact CA-O 3.42Å; V294-L327 HydrophobicContact CG1-CD2 4.13Å; V294-L327 HydrophobicContact CG2-CD2 4.32Å; V294-P328 HydrophobicContact CG2-CG 4.49Å; V294-M365 WeakPolarHBondContact O-CA 3.44Å; V294-G366 PolarHBondContact N-O 2.89Å; V294-G366 VanDerWaalsContact N-O 3.13Å; V294-G366 PolarHBondContact O-N 2.84Å; V294-G366 VanDerWaalsContact O-N 3.11Å; V294-L375 HydrophobicContact CB-CD1 3.88Å; V294-L375 HydrophobicContact CB-CD2 4.11Å; V294-L375 HydrophobicContact CG1-CD2 3.84Å; V294-L375 HydrophobicContact CG2-CD1 4.28Å
295V93.7Very high89.7Confident0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-130.2122.9174.9178.40000108.6F289 A292 T324 L325 K326 L363 I364 M365F289-V295 HydrophobicContact CD2-CB 4.26Å; F289-V295 HydrophobicContact CD2-CG1 4.13Å; F289-V295 HydrophobicContact CD2-CG2 3.79Å; F289-V295 HydrophobicContact CE2-CG2 4.38Å; F289-V295 HydrophobicContact CG-CG2 4.48Å; A292-V295 HydrophobicContact CB-CG2 4.23Å; V295-T324 WeakPolarHBondContact O-CA 3.3Å; V295-L325 HydrophobicContact CB-CB 4.26Å; V295-L325 HydrophobicContact CG1-CB 3.93Å; V295-L325 HydrophobicContact CG1-CD1 4.09Å; V295-L325 HydrophobicContact CG1-CG 4.38Å; V295-L325 PolarHBondContact O-N 3.18Å; V295-K326 HydrophobicContact CB-CB 3.7Å; V295-K326 HydrophobicContact CG2-CB 3.73Å; V295-K326 HydrophobicContact CG2-CD 4.11Å; V295-K326 PolarHBondContact N-O 3.41Å; V295-K326 PolarHBondContact O-N 2.85Å; V295-L363 HydrophobicContact CG1-CD1 3.86Å; V295-I364 WeakPolarHBondContact CA-O 2.82Å; V295-M365 HydrophobicContact CB-CG 4.48Å; V295-M365 HydrophobicContact CG1-CE 4.49Å; V295-M365 HydrophobicContact CG1-CG 4.06Å; V295-M365 HydrophobicContact CG1-SD 4.35Å; V295-M365 HydrophobicContact CG2-CB 4.07Å; V295-M365 HydrophobicContact CG2-CG 4.01Å; V295-M365 HydrophobicContact CG2-SD 4.03Å
296I93.1Very high88.7Confident0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-124.4137.2-172.8-57.4152.5000109.4V294 A298 L318 A322 T324 F334 I339 I364 L375V294-I296 HydrophobicContact CG1-CD1 3.78Å; V294-I296 HydrophobicContact CG1-CG1 3.76Å; I296-A298 HydrophobicContact CG2-CB 3.79Å; I296-L318 HydrophobicContact CD1-CD1 4.46Å; I296-L318 HydrophobicContact CG2-CD1 3.93Å; I296-A322 HydrophobicContact CG2-CB 4.33Å; I296-T324 HydrophobicContact CG1-CG2 4.26Å; I296-F334 HydrophobicContact CD1-CE2 3.71Å; I296-F334 HydrophobicContact CD1-CZ 4.35Å; I296-F334 HydrophobicContact CG1-CE2 3.85Å; I296-F334 HydrophobicContact CG1-CZ 4.46Å; I296-F334 HydrophobicContact CG2-CE2 4.33Å; I296-F334 HydrophobicContact CG2-CZ 4.12Å; I296-I339 HydrophobicContact CD1-CD1 3.88Å; I296-I364 HydrophobicContact CB-CB 4.35Å; I296-I364 PolarHBondContact N-O 3.47Å; I296-I364 PolarHBondContact O-N 2.96Å; I296-L375 HydrophobicContact CD1-CD2 3.56Å
297R93Very high87.3Confident93 Ų9347.7 Ų47.735%0.35125%0.246SC..EExtended strand (participates in β ladder)trans-114.9102.6166.5176.5167.9-176.5-125-2109.2R323 L325 W362 I383R297-R323 PolarHBondContact N-O 3.01Å; R297-R323 PolarHBondContact O-N 3.38Å; R297-L325 HydrophobicContact CB-CD1 4.35Å; R297-L325 HydrophobicContact CB-CG 4.48Å; R297-W362 WeakPolarHBondContact CA-O 3.31Å; R297-I383 HydrophobicContact CB-CD1 4.48Å; R297-I383 HydrophobicContact CG-CD1 3.59Å
298A92Very high85.6Confident2 Ų247.5 Ų47.52%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-135.7-178.8-174.300000111.5I296 L318 A322 K361 W362I296-A298 HydrophobicContact CG2-CB 3.79Å; A298-L318 HydrophobicContact CB-CB 4.06Å; A298-L318 HydrophobicContact CB-CD1 3.81Å; A298-L318 HydrophobicContact CB-CD2 4.11Å; A298-L318 HydrophobicContact CB-CG 4.22Å; A298-A322 HydrophobicContact CB-CB 3.64Å; A298-K361 CarbonylContact O-C 3.51Å; A298-K361 VanDerWaalsContact O-CA 3.31Å; A298-K361 WeakPolarHBondContact O-CA 3.34Å; A298-W362 PolarHBondContact N-O 3.14Å; A298-W362 PolarHBondContact O-N 3.33Å
299Q89.3Confident83.8Confident39 Ų3952 Ų5218%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-107.6137.9161176.9163.9-22.100107.4L318 D319 G358Q299-L318 WeakPolarHBondContact O-CA 3.48Å; Q299-D319 HydrophobicContact CB-CB 4.07Å; Q299-D319 PolarHBondContact O-N 3Å; Q299-G358 PolarHBondContact NE2-O 3.33Å; Q299-G358 PolarHBondContact OE1-O 2.89Å
300I88.6Confident81.9Confident11 Ų1157.9 Ų57.96%0.05631%0.311CS..EExtended strand (participates in β ladder)trans-82124.9171.3-59.7170.5000106I303 L316 L318 L348 L351 W362 L380I300-I303 HydrophobicContact CG2-CD1 4.34Å; I300-I303 HydrophobicContact CG2-CG1 3.77Å; I300-L316 HydrophobicContact CD1-CD1 4.17Å; I300-L316 HydrophobicContact CD1-CD2 4.32Å; I300-L316 HydrophobicContact CG2-CD2 4.42Å; I300-L318 HydrophobicContact CB-CD2 4.48Å; I300-L318 HydrophobicContact CG1-CD2 3.82Å; I300-L348 HydrophobicContact CD1-CD2 3.98Å; I300-L351 HydrophobicContact CB-CD1 4.38Å; I300-L351 HydrophobicContact CD1-CD1 3.93Å; I300-L351 HydrophobicContact CG2-CD1 4.34Å; I300-W362 HydrophobicContact CD1-CB 4.35Å; I300-W362 HydrophobicContact CD1-CD2 3.79Å; I300-W362 HydrophobicContact CD1-CE3 4.29Å; I300-W362 HydrophobicContact CD1-CG 3.78Å; I300-W362 HydrophobicContact CG1-CB 4.45Å; I300-W362 HydrophobicContact CG1-CG 4.06Å; I300-L380 HydrophobicContact CD1-CD1 4.44Å
301V86.6Confident80.1Confident82 Ų8261 Ų6150%0.49733%0.325SS..EExtended strand (participates in β ladder)trans-98.3-43.4-178.1175.70000110.3Y317 D319V301-Y317 PolarHBondContact N-O 2.96Å; V301-D319 HydrophobicContact CG2-CB 3.71Å
302Y83.7Confident78.9Confident129 Ų12962.5 Ų62.551%0.50633%0.325SS..EExtended strand (participates in β ladder)trans-145.5157.2179.5-179.9-110.2000110.7N304 Y317Y302-N304 HydrophobicContact CE1-CB 3.97Å; Y302-Y317 AromaticContact CD1-CD2 3.81Å; Y302-Y317 HydrophobicContact CD1-CD2 3.81Å; Y302-Y317 HydrophobicContact CD1-CE2 4.1Å; Y302-Y317 HydrophobicContact CD1-CG 4.38Å; Y302-Y317 PolarHBondContact N-O 2.92Å; Y302-Y317 PolarHBondContact O-N 2.89Å
303I86.5Confident78.2Confident18 Ų1863.3 Ų63.39%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-131.9116.9-178.6-58.9175.5000107.5I300 K305 I314 L316 L348 L351I300-I303 HydrophobicContact CG2-CD1 4.34Å; I300-I303 HydrophobicContact CG2-CG1 3.77Å; I303-K305 HydrophobicContact CG2-CG 4.25Å; I303-I314 HydrophobicContact CG2-CG2 3.23Å; I303-L316 HydrophobicContact CG1-CD2 4.19Å; I303-L316 HydrophobicContact CG2-CD2 4.45Å; I303-L348 HydrophobicContact CD1-CD2 4.14Å; I303-L351 HydrophobicContact CD1-CB 3.72Å; I303-L351 HydrophobicContact CD1-CD1 3.67Å; I303-L351 HydrophobicContact CD1-CG 4.36Å
304N85Confident78Confident57 Ų5760.7 Ų60.731%0.30532%0.316SS..EExtended strand (participates in β ladder)trans-95.2124.3169.1-168.917.2000109.3Y302 Q315 Y317Y302-N304 HydrophobicContact CE1-CB 3.97Å; N304-Q315 HydrophobicContact CB-CB 4.31Å; N304-Q315 PolarHBondContact N-O 3.18Å; N304-Q315 PolarHBondContact O-N 3.31Å; N304-Y317 HydrophobicContact CB-CE2 3.89Å
305K80.5Confident77.9Confident85 Ų8562.1 Ų62.137%0.3732%0.323SS..EExtended strand (participates in β ladder)trans-98.395.8176.7-67.6-175.9-177.4177.60108.2I303 T307 I314 D349I303-K305 HydrophobicContact CG2-CG 4.25Å; K305-T307 PolarHBondContact O-N 3.32Å; K305-I314 HydrophobicContact CG-CG1 4.44Å; K305-I314 HydrophobicContact CG-CG2 4.47Å; K305-D349 IonicContact NZ-OD1 3.83Å; K305-D349 PolarHBondContact NZ-OD1 2.99Å
306E71.2Confident77.6Confident74 Ų7462.4 Ų62.435%0.34632%0.324SS..EExtended strand (participates in β ladder)trans-81.486.5-174-167.4168.2-162.100109.2A308 S313 K338E306-A308 PolarHBondContact O-N 3.07Å; E306-S313 PolarHBondContact N-O 2.96Å; E306-K338 IonicContact OE1-NZ 3.13Å; E306-K338 IonicContact OE2-NZ 3.35Å; E306-K338 PolarHBondContact OE2-NZ 3.36Å
307T62.6Low77.4Confident110 Ų11067.1 Ų67.168%0.67534%0.343SS*.EExtended strand (participates in β ladder)trans-7667.8176.2320000112K305 R312K305-T307 PolarHBondContact O-N 3.32Å; T307-R312 HydrophobicContact CG2-CG 4.09Å
308A52.5Low77.3Confident57 Ų5764.5 Ų64.547%0.47134%0.335SS..EExtended strand (participates in β ladder)trans-69.6145.7164.700000110.4E306 N310 N311E306-A308 PolarHBondContact O-N 3.07Å; A308-N310 PolarHBondContact O-N 3.21Å; A308-N311 PolarHBondContact N-O 3.18Å; A308-N311 PolarHBondContact O-N 3.17Å; A308-N311 VanDerWaalsContact O-O 3.12Å
309S53.6Low77Confident118 Ų11866 Ų6683%0.82534%0.343SS*.THydrogen-bonded Turntrans-36.9-39.2-167.8169.30000117.3
310N53.6Low76.8Confident125 Ų12570.7 Ų70.767%0.66837%0.374SS*.THydrogen-bonded Turntrans-135.921.6-178.8-82.7-79.8000114.1Q268 A308Q268-N310 PolarHBondContact NE2-O 3.16Å; Q268-N310 PolarHBondContact OE1-O 3.08Å; A308-N310 PolarHBondContact O-N 3.21Å
311N54.6Low76.6Confident104 Ų10476 Ų7656%0.55640%0.399SS*.EExtended strand (participates in β ladder)trans-152.4126.6172.2-90.3-29.3000110.5Q268 A308Q268-N311 PolarHBondContact NE2-OD1 3.16Å; A308-N311 PolarHBondContact N-O 3.18Å; A308-N311 PolarHBondContact O-N 3.17Å; A308-N311 VanDerWaalsContact O-O 3.12Å
312R65.2Low76.7Confident142 Ų14273.2 Ų73.254%0.53639%0.385SS..EExtended strand (participates in β ladder)trans-96.485.1172.8-73.6174.7168.8145.5-9.2109.9T307T307-R312 HydrophobicContact CG2-CG 4.09Å
313S76.7Confident77Confident20 Ų2075.4 Ų75.414%0.1439%0.392CS..EExtended strand (participates in β ladder)trans-83.3140.7168.649.30000110.5E306 D342E306-S313 PolarHBondContact N-O 2.96Å; S313-D342 VanDerWaalsContact CB-OD1 3.25Å; S313-D342 WeakPolarHBondContact CB-OD1 3.21Å
314I84.7Confident77.1Confident8 Ų877.4 Ų77.44%0.04141%0.405CS..EExtended strand (participates in β ladder)trans-113.5113.4178.2-55.5178.6000108.5I303 K305 L316 T340 V341 L348I303-I314 HydrophobicContact CG2-CG2 3.23Å; K305-I314 HydrophobicContact CG-CG1 4.44Å; K305-I314 HydrophobicContact CG-CG2 4.47Å; I314-L316 HydrophobicContact CG2-CD2 4.25Å; I314-T340 CarbonylContact O-C 3.53Å; I314-T340 WeakPolarHBondContact O-CA 2.97Å; I314-V341 HydrophobicContact CB-CB 4.22Å; I314-V341 PolarHBondContact N-O 2.91Å; I314-V341 PolarHBondContact O-N 3.31Å; I314-L348 HydrophobicContact CD1-CD1 4.35Å; I314-L348 HydrophobicContact CG2-CD1 4.24Å
315Q88.5Confident77.3Confident31 Ų3177.6 Ų77.615%0.14541%0.406CS..EExtended strand (participates in β ladder)trans-89.2126177.7-178.8179.8-8.200110.8N304 Y317 K338 I339N304-Q315 HydrophobicContact CB-CB 4.31Å; N304-Q315 PolarHBondContact N-O 3.18Å; N304-Q315 PolarHBondContact O-N 3.31Å; Q315-Y317 HydrophobicContact CB-CE2 4.31Å; Q315-Y317 HydrophobicContact CG-CD2 4.34Å; Q315-Y317 HydrophobicContact CG-CE2 3.75Å; Q315-Y317 VanDerWaalsContact NE2-CZ 3.34Å; Q315-Y317 PolarHBondContact NE2-OH 3.01Å; Q315-Y317 PolarHBondContact OE1-OH 2.69Å; Q315-K338 HydrophobicContact CG-CG 4.13Å; Q315-I339 WeakPolarHBondContact CA-O 3.04Å
316L89.2Confident77.7Confident6 Ų675.4 Ų75.43%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-97.4127.3179.7-57.2-176.7000111.5I300 I303 I314 L318 I339 V341 L348 I364I300-L316 HydrophobicContact CD1-CD1 4.17Å; I300-L316 HydrophobicContact CD1-CD2 4.32Å; I300-L316 HydrophobicContact CG2-CD2 4.42Å; I303-L316 HydrophobicContact CG1-CD2 4.19Å; I303-L316 HydrophobicContact CG2-CD2 4.45Å; I314-L316 HydrophobicContact CG2-CD2 4.25Å; L316-L318 HydrophobicContact CB-CD2 4.46Å; L316-I339 HydrophobicContact CB-CB 4.4Å; L316-I339 HydrophobicContact CB-CG2 4.18Å; L316-I339 HydrophobicContact CD1-CG2 4.28Å; L316-I339 PolarHBondContact N-O 2.93Å; L316-V341 HydrophobicContact CD1-CG2 3.68Å; L316-V341 HydrophobicContact CD2-CG2 4.36Å; L316-V341 HydrophobicContact CG-CG2 3.9Å; L316-L348 HydrophobicContact CD2-CD1 4.19Å; L316-L348 HydrophobicContact CD2-CD2 3.92Å; L316-I364 HydrophobicContact CD1-CD1 4.43Å
317Y88.7Confident78.4Confident99 Ų9975.4 Ų75.439%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-103.7126.3172.2-66.5-102.9000109.2V301 Y302 N304 Q315V301-Y317 PolarHBondContact N-O 2.96Å; Y302-Y317 AromaticContact CD1-CD2 3.81Å; Y302-Y317 HydrophobicContact CD1-CD2 3.81Å; Y302-Y317 HydrophobicContact CD1-CE2 4.1Å; Y302-Y317 HydrophobicContact CD1-CG 4.38Å; Y302-Y317 PolarHBondContact N-O 2.92Å; Y302-Y317 PolarHBondContact O-N 2.89Å; N304-Y317 HydrophobicContact CB-CE2 3.89Å; Q315-Y317 HydrophobicContact CB-CE2 4.31Å; Q315-Y317 HydrophobicContact CG-CD2 4.34Å; Q315-Y317 HydrophobicContact CG-CE2 3.75Å; Q315-Y317 VanDerWaalsContact NE2-CZ 3.34Å; Q315-Y317 PolarHBondContact NE2-OH 3.01Å; Q315-Y317 PolarHBondContact OE1-OH 2.69Å
318L89.2Confident79.3Confident37 Ų3772.1 Ų72.119%0.19438%0.379CS..EExtended strand (participates in β ladder)trans-109.9148-171-57.3-175.1000112.2I296 A298 Q299 I300 L316 F334 I339 I364I296-L318 HydrophobicContact CD1-CD1 4.46Å; I296-L318 HydrophobicContact CG2-CD1 3.93Å; A298-L318 HydrophobicContact CB-CB 4.06Å; A298-L318 HydrophobicContact CB-CD1 3.81Å; A298-L318 HydrophobicContact CB-CD2 4.11Å; A298-L318 HydrophobicContact CB-CG 4.22Å; Q299-L318 WeakPolarHBondContact O-CA 3.48Å; I300-L318 HydrophobicContact CB-CD2 4.48Å; I300-L318 HydrophobicContact CG1-CD2 3.82Å; L316-L318 HydrophobicContact CB-CD2 4.46Å; L318-F334 HydrophobicContact CD1-CZ 4.12Å; L318-I339 HydrophobicContact CD1-CD1 3.37Å; L318-I339 HydrophobicContact CG-CD1 4.03Å; L318-I364 HydrophobicContact CD1-CD1 3.92Å; L318-I364 HydrophobicContact CD2-CD1 3.6Å; L318-I364 HydrophobicContact CG-CD1 4.42Å
319D87.2Confident80.1Confident35 Ų3579.6 Ų79.619%0.18740%0.401CS..  trans-62.5146.1173.2167.942.7000112.2Q299 V301 Q321 A322Q299-D319 HydrophobicContact CB-CB 4.07Å; Q299-D319 PolarHBondContact O-N 3Å; V301-D319 HydrophobicContact CG2-CB 3.71Å; D319-Q321 VanDerWaalsContact CG-N 3.35Å; D319-Q321 PolarHBondContact O-N 3.23Å; D319-Q321 PolarHBondContact OD1-N 3.11Å; D319-Q321 WeakPolarHBondContact OD2-CB 3.39Å; D319-Q321 VanDerWaalsContact OD2-CG 3.28Å; D319-Q321 WeakPolarHBondContact OD2-CG 3.46Å; D319-Q321 PolarHBondContact OD2-N 3.02Å; D319-Q321 VanDerWaalsContact OD2-N 3.12Å; D319-A322 VanDerWaalsContact O-CB 3.29Å; D319-A322 WeakPolarHBondContact O-CB 3.47Å; D319-A322 PolarHBondContact O-N 3.28Å
320T84.6Confident81Confident136 Ų13679.3 Ų79.383%0.83439%0.386SS*.THydrogen-bonded Turntrans-44.3-31.1169.663.40000115.1A322T320-A322 PolarHBondContact O-N 3.41Å
321Q84.9Confident81.5Confident124 Ų12483 Ų8358%0.57940%0.399SS*.THydrogen-bonded Turntrans-83.513.5177.7-48.3-176.87.600114.2D319 R323D319-Q321 VanDerWaalsContact CG-N 3.35Å; D319-Q321 PolarHBondContact O-N 3.23Å; D319-Q321 PolarHBondContact OD1-N 3.11Å; D319-Q321 WeakPolarHBondContact OD2-CB 3.39Å; D319-Q321 VanDerWaalsContact OD2-CG 3.28Å; D319-Q321 WeakPolarHBondContact OD2-CG 3.46Å; D319-Q321 PolarHBondContact OD2-N 3.02Å; D319-Q321 VanDerWaalsContact OD2-N 3.12Å; Q321-R323 PolarHBondContact O-N 3.41Å
322A87.9Confident82.3Confident23 Ų2379.6 Ų79.619%0.1938%0.38CS..  trans-51.8125.9173.600000111.9I296 A298 D319 T320 F334I296-A322 HydrophobicContact CG2-CB 4.33Å; A298-A322 HydrophobicContact CB-CB 3.64Å; D319-A322 VanDerWaalsContact O-CB 3.29Å; D319-A322 WeakPolarHBondContact O-CB 3.47Å; D319-A322 PolarHBondContact O-N 3.28Å; T320-A322 PolarHBondContact O-N 3.41Å; A322-F334 HydrophobicContact CB-CE1 3.6Å; A322-F334 HydrophobicContact CB-CZ 3.71Å
323R89.7Confident82.7Confident175 Ų17576.6 Ų76.666%0.6638%0.375SS*.EExtended strand (participates in β ladder)trans-110.6116.9177.4-61.4-168.5-176.7-156.4-0.4110.3R297 Q321R297-R323 PolarHBondContact N-O 3.01Å; R297-R323 PolarHBondContact O-N 3.38Å; Q321-R323 PolarHBondContact O-N 3.41Å
324T88.4Confident82.6Confident59 Ų5978.4 Ų78.436%0.36238%0.38SS..EExtended strand (participates in β ladder)trans-76.5132172.247.40000110.5V295 I296 L327 F334V295-T324 WeakPolarHBondContact O-CA 3.3Å; I296-T324 HydrophobicContact CG1-CG2 4.26Å; T324-L327 HydrophobicContact CG2-CD1 3.87Å; T324-L327 HydrophobicContact CG2-CD2 4.14Å; T324-L327 HydrophobicContact CG2-CG 3.91Å; T324-F334 HydrophobicContact CG2-CD2 4Å; T324-F334 HydrophobicContact CG2-CE2 4.07Å
325L89.3Confident82.1Confident62 Ų6289.2 Ų89.233%0.32542%0.421SS..EExtended strand (participates in β ladder)trans-103.7-28176-55.1-178.9000111.4V295 R297 L363 L394 M397V295-L325 HydrophobicContact CB-CB 4.26Å; V295-L325 HydrophobicContact CG1-CB 3.93Å; V295-L325 HydrophobicContact CG1-CD1 4.09Å; V295-L325 HydrophobicContact CG1-CG 4.38Å; V295-L325 PolarHBondContact O-N 3.18Å; R297-L325 HydrophobicContact CB-CD1 4.35Å; R297-L325 HydrophobicContact CB-CG 4.48Å; L325-L363 HydrophobicContact CD1-CD1 4.16Å; L325-L394 HydrophobicContact CD1-CD2 4.03Å; L325-M397 HydrophobicContact CD1-SD 4.34Å
326K90.2Very high81.6Confident39 Ų3994.8 Ų94.817%0.1745%0.447CS..EExtended strand (participates in β ladder)trans-141134.1173.7-162.4-177.2-176.6-176.50108F289 C290 A292 V294 V295F289-K326 HydrophobicContact CE2-CB 4.14Å; F289-K326 HydrophobicContact CE2-CD 4.48Å; F289-K326 HydrophobicContact CZ-CD 4.47Å; F289-K326 WeakPolarHBondContact O-CD 3.39Å; F289-K326 PolarHBondContact O-NZ 2.95Å; C290-K326 PolarHBondContact O-NZ 2.91Å; A292-K326 WeakPolarHBondContact O-CD 3.35Å; A292-K326 VanDerWaalsContact O-CE 3.22Å; A292-K326 WeakPolarHBondContact O-CE 3.14Å; A292-K326 PolarHBondContact O-NZ 3.15Å; V294-K326 WeakPolarHBondContact CA-O 3.42Å; V295-K326 HydrophobicContact CB-CB 3.7Å; V295-K326 HydrophobicContact CG2-CB 3.73Å; V295-K326 HydrophobicContact CG2-CD 4.11Å; V295-K326 PolarHBondContact N-O 3.41Å; V295-K326 PolarHBondContact O-N 2.85Å
327L85.3Confident81.3Confident74 Ų7495.3 Ų95.339%0.38745%0.45SS..  trans-143.2149.7172-84.2172.3000108V294 T324V294-L327 HydrophobicContact CG1-CD2 4.13Å; V294-L327 HydrophobicContact CG2-CD2 4.32Å; T324-L327 HydrophobicContact CG2-CD1 3.87Å; T324-L327 HydrophobicContact CG2-CD2 4.14Å; T324-L327 HydrophobicContact CG2-CG 3.91Å
328P81Confident81.3Confident40 Ų4093.6 Ų93.626%0.2644%0.444SS..  trans-56.3151.3162.7-25.135.6000111.7D293 V294 Q330 I332D293-P328 HydrophobicContact CB-CG 4.36Å; V294-P328 HydrophobicContact CG2-CG 4.49Å; P328-Q330 PolarHBondContact O-N 3.5Å; P328-I332 HydrophobicContact CB-CD1 3.85Å; P328-I332 HydrophobicContact CG-CD1 3.62Å
329K69.4Low81.3Confident215 Ų21592.1 Ų92.194%0.93544%0.436SS*.SBendtrans-68.5-10.9174-67-174.1179.3-178.20113.9
330Q72.3Confident81.4Confident111 Ų11190.8 Ų90.852%0.51943%0.43SS..SBendtrans-77.1138.6176.8-61.5176.920.200108.7P328 I332 R372P328-Q330 PolarHBondContact O-N 3.5Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 PolarHBondContact O-N 3.04Å; Q330-R372 VanDerWaalsContact OE1-CZ 3.26Å; Q330-R372 VanDerWaalsContact OE1-NE 3.09Å
331H64.7Low81.5Confident203 Ų20384.3 Ų84.394%0.9439%0.39SS*.  trans-67.186.1180-74.4-90.5000111.5
332I71.1Confident81.2Confident32 Ų3282 Ų8216%0.16438%0.382CS..  trans-91119.3170.5-63.8152.1000107.3P328 Q330 F334 L337 I368P328-I332 HydrophobicContact CB-CD1 3.85Å; P328-I332 HydrophobicContact CG-CD1 3.62Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 PolarHBondContact O-N 3.04Å; I332-F334 PolarHBondContact O-N 3.12Å; I332-F334 VanDerWaalsContact O-N 3.1Å; I332-L337 HydrophobicContact CG2-CD1 4.34Å; I332-I368 HydrophobicContact CD1-CD1 3.59Å; I332-I368 HydrophobicContact CG1-CD1 4.08Å; I332-I368 HydrophobicContact CG2-CD1 4.43Å
333N73.3Confident80.6Confident79 Ų7982 Ų8242%0.42238%0.379SS..  trans-72.3104.6173.8-177.61.7000109.4R335 Q336N333-R335 PolarHBondContact O-N 3.48Å; N333-R335 PolarHBondContact OD1-N 2.91Å; N333-Q336 HydrophobicContact CB-CB 4.39Å; N333-Q336 HydrophobicContact CB-CG 4.44Å; N333-Q336 VanDerWaalsContact CB-OE1 3.28Å; N333-Q336 VanDerWaalsContact ND2-CD 3.26Å; N333-Q336 PolarHBondContact ND2-OE1 3.24Å; N333-Q336 PolarHBondContact O-N 3.34Å
334F74.7Confident79.9Confident58 Ų5876.2 Ų76.225%0.25436%0.36SS..G310 helixtrans-54.4-28.8-179-177.5-101.4000113.5I296 L318 A322 T324 I332 Q336 L337I296-F334 HydrophobicContact CD1-CE2 3.71Å; I296-F334 HydrophobicContact CD1-CZ 4.35Å; I296-F334 HydrophobicContact CG1-CE2 3.85Å; I296-F334 HydrophobicContact CG1-CZ 4.46Å; I296-F334 HydrophobicContact CG2-CE2 4.33Å; I296-F334 HydrophobicContact CG2-CZ 4.12Å; L318-F334 HydrophobicContact CD1-CZ 4.12Å; A322-F334 HydrophobicContact CB-CE1 3.6Å; A322-F334 HydrophobicContact CB-CZ 3.71Å; T324-F334 HydrophobicContact CG2-CD2 4Å; T324-F334 HydrophobicContact CG2-CE2 4.07Å; I332-F334 PolarHBondContact O-N 3.12Å; I332-F334 VanDerWaalsContact O-N 3.1Å; F334-Q336 PolarHBondContact O-N 3.42Å; F334-L337 HydrophobicContact CD2-CD2 4.45Å
335R74.8Confident79.4Confident235 Ų23573.5 Ų73.589%0.88734%0.343SS*.G310 helixtrans-71.7-13.1177.6-63.4-176.1175.5-174.2-1.5114.3N333N333-R335 PolarHBondContact O-N 3.48Å; N333-R335 PolarHBondContact OD1-N 2.91Å
336Q77.6Confident78.9Confident148 Ų14873.4 Ų73.469%0.69234%0.343SS*.G310 helixtrans-109.75.4-177.8-70.5173.2-45.800113N333 F334 K338N333-Q336 HydrophobicContact CB-CB 4.39Å; N333-Q336 HydrophobicContact CB-CG 4.44Å; N333-Q336 VanDerWaalsContact CB-OE1 3.28Å; N333-Q336 VanDerWaalsContact ND2-CD 3.26Å; N333-Q336 PolarHBondContact ND2-OE1 3.24Å; N333-Q336 PolarHBondContact O-N 3.34Å; F334-Q336 PolarHBondContact O-N 3.42Å; Q336-K338 PolarHBondContact O-N 3.03Å
337L82.3Confident78.5Confident18 Ų1871.9 Ų71.99%0.09434%0.337CS..  trans-85.1108.7-175.7-169.266.2000110.6I332 F334 I339 I368 G373 L375I332-L337 HydrophobicContact CG2-CD1 4.34Å; F334-L337 HydrophobicContact CD2-CD2 4.45Å; L337-I339 HydrophobicContact CD2-CG1 4.47Å; L337-I339 HydrophobicContact CG-CG1 4.35Å; L337-I339 PolarHBondContact O-N 3.28Å; L337-I368 HydrophobicContact CD1-CD1 4.38Å; L337-G373 CarbonylContact C-O 3.46Å; L337-L375 HydrophobicContact CD1-CB 4.03Å; L337-L375 HydrophobicContact CD2-CB 3.92Å; L337-L375 HydrophobicContact CD2-CD2 3.98Å; L337-L375 HydrophobicContact CG-CB 3.88Å
338K88.4Confident78.2Confident63 Ų6368.4 Ų68.427%0.27432%0.319SS..EExtended strand (participates in β ladder)trans-69.9109.7169.7-168.1-178.3-177.8179.30107.8E306 Q315 Q336 T340 G373 I374 L375E306-K338 IonicContact OE1-NZ 3.13Å; E306-K338 IonicContact OE2-NZ 3.35Å; E306-K338 PolarHBondContact OE2-NZ 3.36Å; Q315-K338 HydrophobicContact CG-CG 4.13Å; Q336-K338 PolarHBondContact O-N 3.03Å; K338-T340 HydrophobicContact CD-CG2 4.06Å; K338-T340 HydrophobicContact CG-CG2 3.93Å; K338-G373 PolarHBondContact N-O 3.41Å; K338-I374 HydrophobicContact CB-CG1 4.46Å; K338-I374 WeakPolarHBondContact O-CA 3.17Å; K338-L375 PolarHBondContact O-N 2.69Å
339I90.3Very high77.7Confident6 Ų669.1 Ų69.13%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-91.8113.5178.4-56.5-179.4000107.9I296 Q315 L316 L318 L337 L375 V377I296-I339 HydrophobicContact CD1-CD1 3.88Å; Q315-I339 WeakPolarHBondContact CA-O 3.04Å; L316-I339 HydrophobicContact CB-CB 4.4Å; L316-I339 HydrophobicContact CB-CG2 4.18Å; L316-I339 HydrophobicContact CD1-CG2 4.28Å; L316-I339 PolarHBondContact N-O 2.93Å; L318-I339 HydrophobicContact CD1-CD1 3.37Å; L318-I339 HydrophobicContact CG-CD1 4.03Å; L337-I339 HydrophobicContact CD2-CG1 4.47Å; L337-I339 HydrophobicContact CG-CG1 4.35Å; L337-I339 PolarHBondContact O-N 3.28Å; I339-L375 HydrophobicContact CD1-CD2 4.38Å; I339-L375 HydrophobicContact CG1-CB 4.36Å; I339-L375 HydrophobicContact CG1-CD2 4.17Å; I339-L375 HydrophobicContact CG2-CD2 4.32Å; I339-V377 HydrophobicContact CG2-CG2 3.49Å; I339-V377 VanDerWaalsContact CG2-CG2 3.49Å
340T88.9Confident77.6Confident7 Ų763.7 Ų63.74%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-115.8139.7-177.563.20000111.8I314 K338 D342 I374 L375 H376 V377I314-T340 CarbonylContact O-C 3.53Å; I314-T340 WeakPolarHBondContact O-CA 2.97Å; K338-T340 HydrophobicContact CD-CG2 4.06Å; K338-T340 HydrophobicContact CG-CG2 3.93Å; T340-D342 WeakPolarHBondContact CB-OD1 3.47Å; T340-D342 PolarHBondContact OG1-OD1 3.35Å; T340-D342 PolarHBondContact OG1-OD2 2.99Å; T340-I374 HydrophobicContact CG2-CG2 4.24Å; T340-L375 PolarHBondContact N-O 3.02Å; T340-H376 PolarHBondContact OG1-ND1 2.83Å; T340-V377 WeakPolarHBondContact O-CG2 3.31Å; T340-V377 PolarHBondContact O-N 3.23Å
341V87.1Confident77.3Confident0 Ų058.6 Ų58.60%028%0.275CS..EExtended strand (participates in β ladder)trans-113.9103.8169.5-171.20000105.9C273 I314 L316 C343 L348 V377C273-V341 VanDerWaalsContact SG-CG1 3.52Å; I314-V341 HydrophobicContact CB-CB 4.22Å; I314-V341 PolarHBondContact N-O 2.91Å; I314-V341 PolarHBondContact O-N 3.31Å; L316-V341 HydrophobicContact CD1-CG2 3.68Å; L316-V341 HydrophobicContact CD2-CG2 4.36Å; L316-V341 HydrophobicContact CG-CG2 3.9Å; V341-C343 VanDerWaalsContact CG1-SG 3.57Å; V341-C343 PolarHBondContact O-N 2.03Å; V341-L348 HydrophobicContact CB-CD1 4.24Å; V341-L348 HydrophobicContact CG1-CD1 4.13Å; V341-L348 HydrophobicContact CG2-CD1 4Å; V341-V377 HydrophobicContact CG2-CB 3.92Å; V341-V377 HydrophobicContact CG2-CG1 4.28Å; V341-V377 HydrophobicContact CG2-CG2 4.01Å
342D79.2Confident76.9Confident76 Ų7653.2 Ų53.241%0.40626%0.256SS..  trans-96.333.5-170.1-54.4-56.6000111.2S313 T340 H376S313-D342 VanDerWaalsContact CB-OD1 3.25Å; S313-D342 WeakPolarHBondContact CB-OD1 3.21Å; T340-D342 WeakPolarHBondContact CB-OD1 3.47Å; T340-D342 PolarHBondContact OG1-OD1 3.35Å; T340-D342 PolarHBondContact OG1-OD2 2.99Å; D342-H376 IonicContact OD2-CE1 3.17Å; D342-H376 IonicContact OD2-CG 3.38Å; D342-H376 IonicContact OD2-ND1 2.67Å; D342-H376 PolarHBondContact OD2-ND1 3.03Å
343C74.6Confident75.9Confident21 Ų2158.3 Ų58.314%0.14228%0.284CS..SBendtrans-157.8161.6-164.655.40000111.7L271 C273 V341L271-C343 HydrophobicContact CB-CB 4.4Å; L271-C343 CarbonylContact O-C 3.14Å; L271-C343 VanDerWaalsContact O-CA 3.29Å; L271-C343 WeakPolarHBondContact O-CA 3.37Å; L271-C343 WeakPolarHBondContact O-CB 3.46Å; C273-C343 HydrophobicContact CB-CB 3.97Å; C273-C343 WeakPolarHBondContact CB-SG 3.49Å; C273-C343 WeakPolarHBondContact SG-CB 3.06Å; C273-C343 CovalentContact SG-SG 2.03Å; C273-C343 PolarHBondContact SG-SG 2.8Å; V341-C343 VanDerWaalsContact CG1-SG 3.57Å; V341-C343 PolarHBondContact O-N 2.03Å
344E74.6Confident74.9Confident54 Ų5456.5 Ų56.525%0.25228%0.277SS..BIsolated β-bridgetrans-76.6136.6178.7-174.9155.5-109.500112.5R270 L271 C273R270-E344 HydrophobicContact CB-CB 3.63Å; R270-E344 VanDerWaalsContact CD-OE1 3.24Å; R270-E344 WeakPolarHBondContact CD-OE1 3.35Å; R270-E344 HydrophobicContact CG-CB 4.35Å; R270-E344 IonicContact CZ-OE1 2.65Å; R270-E344 IonicContact NE-OE1 3.61Å; R270-E344 IonicContact NH1-OE1 2.67Å; R270-E344 PolarHBondContact NH1-OE1 3.37Å; L271-E344 PolarHBondContact O-N 2.95Å; C273-E344 PolarHBondContact N-O 3.42Å; C273-E344 PolarHBondContact SG-O 3.29Å
345C78.3Confident74Confident2 Ų257.8 Ų57.81%0.01429%0.285CS..  trans-148.697.8-177.2-166.70000111.5C276 L347 L348 D349C276-C345 HydrophobicContact CB-CB 3.99Å; C276-C345 WeakPolarHBondContact CB-SG 3.05Å; C276-C345 WeakPolarHBondContact SG-CB 3.33Å; C276-C345 CovalentContact SG-SG 2.03Å; C276-C345 PolarHBondContact SG-SG 3.1Å; C345-L347 PolarHBondContact O-N 3.27Å; C345-L347 VanDerWaalsContact O-N 3.08Å; C345-L348 HydrophobicContact CB-CB 4.29Å; C345-L348 HydrophobicContact CB-CD1 3.95Å; C345-L348 HydrophobicContact CB-CG 4.06Å; C345-L348 WeakPolarHBondContact O-CB 3.37Å; C345-L348 PolarHBondContact O-N 2.91Å; C345-D349 PolarHBondContact O-N 3Å
346N79.1Confident72.8Confident61 Ų6154.6 Ų54.633%0.32629%0.286SS..Hα-helixtrans-47.1-41.8177.4-49.1-17.9000112.1E278 L348 D349 E350E278-N346 PolarHBondContact OE1-ND2 3.27Å; N346-L348 PolarHBondContact O-N 3.39Å; N346-L348 VanDerWaalsContact O-N 3.16Å; N346-D349 PolarHBondContact O-N 3.24Å; N346-E350 PolarHBondContact O-N 2.96Å
347L81Confident71.8Confident7 Ų753 Ų534%0.03728%0.282CS..Hα-helixtrans-55.9-28.1178.2-72.6174.5000114.7E278 C345 W362 R382E278-L347 HydrophobicContact CG-CD1 4.22Å; E278-L347 HydrophobicContact CG-CD2 3.91Å; E278-L347 HydrophobicContact CG-CG 3.93Å; C345-L347 PolarHBondContact O-N 3.27Å; C345-L347 VanDerWaalsContact O-N 3.08Å; L347-W362 HydrophobicContact CB-CH2 3.93Å; L347-W362 HydrophobicContact CB-CZ3 4.01Å; L347-W362 HydrophobicContact CD1-CZ3 4.4Å; L347-W362 WeakPolarHBondContact O-CH2 3.39Å; L347-R382 HydrophobicContact CD2-CG 4.41Å; L347-R382 PolarHBondContact O-NH2 2.62Å
348L79.7Confident70.6Confident0 Ų054.2 Ų54.20%030%0.299CS..Hα-helixtrans-90.8-25.9175.8-67.5178.2000112.8I300 I303 I314 L316 V341 C345 N346 L351 L380I300-L348 HydrophobicContact CD1-CD2 3.98Å; I303-L348 HydrophobicContact CD1-CD2 4.14Å; I314-L348 HydrophobicContact CD1-CD1 4.35Å; I314-L348 HydrophobicContact CG2-CD1 4.24Å; L316-L348 HydrophobicContact CD2-CD1 4.19Å; L316-L348 HydrophobicContact CD2-CD2 3.92Å; V341-L348 HydrophobicContact CB-CD1 4.24Å; V341-L348 HydrophobicContact CG1-CD1 4.13Å; V341-L348 HydrophobicContact CG2-CD1 4Å; C345-L348 HydrophobicContact CB-CB 4.29Å; C345-L348 HydrophobicContact CB-CD1 3.95Å; C345-L348 HydrophobicContact CB-CG 4.06Å; C345-L348 WeakPolarHBondContact O-CB 3.37Å; C345-L348 PolarHBondContact O-N 2.91Å; N346-L348 PolarHBondContact O-N 3.39Å; N346-L348 VanDerWaalsContact O-N 3.16Å; L348-L351 HydrophobicContact CD2-CD1 3.76Å; L348-L351 PolarHBondContact O-N 3.24Å; L348-L380 HydrophobicContact CD1-CD2 3.83Å; L348-L380 HydrophobicContact CD2-CD2 3.59Å; L348-L380 HydrophobicContact CG-CD2 3.65Å
349D70.6Confident69.7Low55 Ų5557.5 Ų57.529%0.29432%0.317SS..Hα-helixtrans-74-33.3173.7-75.8-41.7000110.6R270 K305 C345 N346 L351 T352R270-D349 IonicContact NH1-OD2 2.72Å; R270-D349 PolarHBondContact NH1-OD2 3.08Å; K305-D349 IonicContact NZ-OD1 3.83Å; K305-D349 PolarHBondContact NZ-OD1 2.99Å; C345-D349 PolarHBondContact O-N 3Å; N346-D349 PolarHBondContact O-N 3.24Å; D349-L351 PolarHBondContact O-N 3.41Å; D349-T352 PolarHBondContact O-OG1 3.19Å
350E65.9Low69.2Low101 Ų10159.8 Ų59.847%0.47233%0.331SS..THydrogen-bonded Turntrans-68.5-10.8168-74-177.5-174.900115.3N346 T352 S354 R382N346-E350 PolarHBondContact O-N 2.96Å; E350-T352 VanDerWaalsContact C-N 3.29Å; E350-T352 PolarHBondContact O-N 2.98Å; E350-S354 PolarHBondContact O-OG 3.32Å; E350-R382 VanDerWaalsContact CB-NH2 3.34Å; E350-R382 IonicContact OE2-CZ 3.68Å; E350-R382 IonicContact OE2-NH1 3.51Å; E350-R382 PolarHBondContact OE2-NH1 2.96Å; E350-R382 IonicContact OE2-NH2 2.8Å; E350-R382 PolarHBondContact OE2-NH2 3.42Å
351L66.8Low69.2Low5 Ų562.4 Ų62.43%0.02634%0.342CS..Hα-helixtrans-74.9-16.5-174.6-98.8176.8000113.6I300 I303 L348 D349 D353 M355 W362I300-L351 HydrophobicContact CB-CD1 4.38Å; I300-L351 HydrophobicContact CD1-CD1 3.93Å; I300-L351 HydrophobicContact CG2-CD1 4.34Å; I303-L351 HydrophobicContact CD1-CB 3.72Å; I303-L351 HydrophobicContact CD1-CD1 3.67Å; I303-L351 HydrophobicContact CD1-CG 4.36Å; L348-L351 HydrophobicContact CD2-CD1 3.76Å; L348-L351 PolarHBondContact O-N 3.24Å; D349-L351 PolarHBondContact O-N 3.41Å; L351-D353 VanDerWaalsContact C-N 3.34Å; L351-M355 WeakPolarHBondContact O-CG 3.29Å; L351-W362 HydrophobicContact CD1-CH2 4.04Å; L351-W362 HydrophobicContact CD1-CZ2 3.48Å; L351-W362 VanDerWaalsContact CD1-CZ2 3.48Å; L351-W362 HydrophobicContact CD2-CZ2 3.8Å; L351-W362 HydrophobicContact CG-CH2 4.29Å; L351-W362 HydrophobicContact CG-CZ2 3.67Å
352T55.6Low69.5Low90 Ų9062.4 Ų62.455%0.55234%0.342SS*.Hα-helixtrans-67.1-35.8176.948.70000112.5D349 E350D349-T352 PolarHBondContact O-OG1 3.19Å; E350-T352 VanDerWaalsContact C-N 3.29Å; E350-T352 PolarHBondContact O-N 2.98Å
353D51.1Low70.2Confident139 Ų13958.8 Ų58.874%0.74332%0.323SS*.Hα-helixtrans-91.8-19.1-172.2-58.54.1000111.9L351L351-D353 VanDerWaalsContact C-N 3.34Å
354S52.3Low71.1Confident41 Ų4157.8 Ų57.829%0.28732%0.316SS..Hα-helixtrans-102.41-170.955.70000115.5E350 N356 N357E350-S354 PolarHBondContact O-OG 3.32Å; S354-N356 PolarHBondContact O-N 3.01Å; S354-N356 VanDerWaalsContact O-N 3.14Å; S354-N357 PolarHBondContact O-N 2.94Å
355M55.2Low72Confident85 Ų8555.2 Ų55.242%0.41930%0.304SS..G310 helixtrans-57.8-29.5-179.8-65.9-150.216800113.7L351 N357 G358L351-M355 WeakPolarHBondContact O-CG 3.29Å; M355-N357 PolarHBondContact O-N 3.45Å; M355-G358 PolarHBondContact O-N 3.01Å
356N49.9Very low72.6Confident168 Ų16855.1 Ų55.190%0.89830%0.303SS*.G310 helixtrans-59.9-12.9-179.1-72.1-20.9000115.2S354S354-N356 PolarHBondContact O-N 3.01Å; S354-N356 VanDerWaalsContact O-N 3.14Å
357N56.1Low73.1Confident114 Ų11456.1 Ų56.161%0.6131%0.305SS*.G310 helixtrans-99.42.8-179.7-148.4-20.7000114.3S354 M355 M359S354-N357 PolarHBondContact O-N 2.94Å; M355-N357 PolarHBondContact O-N 3.45Å; N357-M359 WeakPolarHBondContact O-CB 3.32Å; N357-M359 PolarHBondContact O-N 3.44Å
358G58.3Low73.4Confident44 Ų4457.6 Ų57.645%0.45431%0.312SS..  trans56.4-3.6155.800000120.8Q299 M355Q299-G358 PolarHBondContact NE2-O 3.33Å; Q299-G358 PolarHBondContact OE1-O 2.89Å; M355-G358 PolarHBondContact O-N 3.01Å
359M69.3Low73.6Confident131 Ų13159.2 Ų59.265%0.64532%0.323SS*.  trans-130.9-4.5-165.2-68-172.3-79.400114.4N357 K361N357-M359 WeakPolarHBondContact O-CB 3.32Å; N357-M359 PolarHBondContact O-N 3.44Å; M359-K361 PolarHBondContact O-N 3.24Å
360T80.3Confident73.8Confident55 Ų5562.9 Ų62.934%0.33735%0.353SS..  trans-68.4102.4-177500000110.5
361K89.1Confident73.8Confident61 Ų6161.3 Ų61.327%0.26535%0.354SS..EExtended strand (participates in β ladder)trans-88139.9173.9-51.7-144.6177.2-139.50109.5A298 M359 I383A298-K361 CarbonylContact O-C 3.51Å; A298-K361 VanDerWaalsContact O-CA 3.31Å; A298-K361 WeakPolarHBondContact O-CA 3.34Å; M359-K361 PolarHBondContact O-N 3.24Å; K361-I383 HydrophobicContact CB-CD1 4.48Å; K361-I383 WeakPolarHBondContact O-CA 3.33Å; K361-I383 WeakPolarHBondContact O-CB 3.48Å; K361-I383 WeakPolarHBondContact O-CG1 3.44Å; K361-I383 PolarHBondContact O-N 2.87Å
362W91.9Very high73.9Confident0 Ų069.4 Ų69.40%038%0.384CS..EExtended strand (participates in β ladder)trans-111.1150-174.7-68.780.7000110.4R297 A298 I300 L347 L351 I364 L380 S381 R382 I383R297-W362 WeakPolarHBondContact CA-O 3.31Å; A298-W362 PolarHBondContact N-O 3.14Å; A298-W362 PolarHBondContact O-N 3.33Å; I300-W362 HydrophobicContact CD1-CB 4.35Å; I300-W362 HydrophobicContact CD1-CD2 3.79Å; I300-W362 HydrophobicContact CD1-CE3 4.29Å; I300-W362 HydrophobicContact CD1-CG 3.78Å; I300-W362 HydrophobicContact CG1-CB 4.45Å; I300-W362 HydrophobicContact CG1-CG 4.06Å; L347-W362 HydrophobicContact CB-CH2 3.93Å; L347-W362 HydrophobicContact CB-CZ3 4.01Å; L347-W362 HydrophobicContact CD1-CZ3 4.4Å; L347-W362 WeakPolarHBondContact O-CH2 3.39Å; L351-W362 HydrophobicContact CD1-CH2 4.04Å; L351-W362 HydrophobicContact CD1-CZ2 3.48Å; L351-W362 VanDerWaalsContact CD1-CZ2 3.48Å; L351-W362 HydrophobicContact CD2-CZ2 3.8Å; L351-W362 HydrophobicContact CG-CH2 4.29Å; L351-W362 HydrophobicContact CG-CZ2 3.67Å; W362-I364 HydrophobicContact CB-CG1 4.22Å; W362-L380 HydrophobicContact CB-CD1 4.45Å; W362-L380 HydrophobicContact CD2-CD1 4.38Å; W362-L380 HydrophobicContact CE3-CD1 3.57Å; W362-L380 HydrophobicContact CE3-CD2 4.35Å; W362-L380 HydrophobicContact CE3-CG 3.8Å; W362-L380 HydrophobicContact CZ3-CD1 4.19Å; W362-L380 HydrophobicContact CZ3-CD2 4.17Å; W362-L380 HydrophobicContact CZ3-CG 3.92Å; W362-S381 WeakPolarHBondContact CA-O 3.42Å; W362-R382 HydrophobicContact CD2-CG 4.16Å; W362-R382 HydrophobicContact CE3-CG 3.92Å; W362-R382 HydrophobicContact CH2-CG 3.35Å; W362-R382 HydrophobicContact CZ2-CG 3.54Å; W362-R382 VanDerWaalsContact CZ2-NE 3.34Å; W362-R382 HydrophobicContact CZ3-CG 3.54Å; W362-I383 WeakPolarHBondContact O-CD1 3.19Å
363L94Very high75Confident0 Ų066.6 Ų66.60%037%0.373CS..EExtended strand (participates in β ladder)trans-107.4116.2168.5-176.958000107.6V295 L325 M365 Y379 L380 S381 I383 L390 L394 M397V295-L363 HydrophobicContact CG1-CD1 3.86Å; L325-L363 HydrophobicContact CD1-CD1 4.16Å; L363-M365 HydrophobicContact CD1-CE 4.11Å; L363-M365 HydrophobicContact CD2-CE 3.47Å; L363-M365 VanDerWaalsContact CD2-CE 3.47Å; L363-M365 HydrophobicContact CG-CE 3.65Å; L363-Y379 HydrophobicContact CD2-CE1 4.31Å; L363-Y379 HydrophobicContact CG-CE1 4.47Å; L363-L380 WeakPolarHBondContact O-CA 3.27Å; L363-S381 PolarHBondContact N-O 2.91Å; L363-S381 PolarHBondContact O-N 3.06Å; L363-I383 HydrophobicContact CB-CD1 3.99Å; L363-I383 HydrophobicContact CB-CG1 3.93Å; L363-L390 HydrophobicContact CD2-CD1 3.69Å; L363-L394 HydrophobicContact CD1-CD2 4.14Å; L363-L394 HydrophobicContact CD2-CD2 4.07Å; L363-M397 HydrophobicContact CD2-CE 4.29Å; L363-M397 HydrophobicContact CD2-SD 4.5Å
364I93.7Very high76.7Confident0 Ų062.4 Ų62.40%035%0.35CS..EExtended strand (participates in β ladder)trans-119.5129.5-173.7-45.6176.5000107.1V295 I296 L316 L318 W362 V377 Y379 L380V295-I364 WeakPolarHBondContact CA-O 2.82Å; I296-I364 HydrophobicContact CB-CB 4.35Å; I296-I364 PolarHBondContact N-O 3.47Å; I296-I364 PolarHBondContact O-N 2.96Å; L316-I364 HydrophobicContact CD1-CD1 4.43Å; L318-I364 HydrophobicContact CD1-CD1 3.92Å; L318-I364 HydrophobicContact CD2-CD1 3.6Å; L318-I364 HydrophobicContact CG-CD1 4.42Å; W362-I364 HydrophobicContact CB-CG1 4.22Å; I364-V377 HydrophobicContact CG2-CB 4.46Å; I364-V377 HydrophobicContact CG2-CG1 3.87Å; I364-V377 HydrophobicContact CG2-CG2 3.68Å; I364-Y379 CarbonylContact C-O 3.54Å; I364-Y379 WeakPolarHBondContact CA-O 3.34Å; I364-L380 HydrophobicContact CB-CD1 4.44Å; I364-L380 HydrophobicContact CG1-CD1 3.75Å; I364-L380 HydrophobicContact CG2-CD1 4.49Å
365M93.6Very high78.5Confident1 Ų160.4 Ų60.41%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-137.1147.8175.5-31.9-172.2-172.200110.6A285 F289 A292 V294 V295 L363 E378 Y379 M397A285-M365 WeakPolarHBondContact O-CE 3.36Å; F289-M365 VanDerWaalsContact CA-SD 3.53Å; F289-M365 HydrophobicContact CB-CE 4.32Å; F289-M365 HydrophobicContact CB-SD 4.02Å; F289-M365 PolarHBondContact N-SD 2.97Å; A292-M365 HydrophobicContact CB-CB 3.63Å; V294-M365 WeakPolarHBondContact O-CA 3.44Å; V295-M365 HydrophobicContact CB-CG 4.48Å; V295-M365 HydrophobicContact CG1-CE 4.49Å; V295-M365 HydrophobicContact CG1-CG 4.06Å; V295-M365 HydrophobicContact CG1-SD 4.35Å; V295-M365 HydrophobicContact CG2-CB 4.07Å; V295-M365 HydrophobicContact CG2-CG 4.01Å; V295-M365 HydrophobicContact CG2-SD 4.03Å; L363-M365 HydrophobicContact CD1-CE 4.11Å; L363-M365 HydrophobicContact CD2-CE 3.47Å; L363-M365 VanDerWaalsContact CD2-CE 3.47Å; L363-M365 HydrophobicContact CG-CE 3.65Å; M365-E378 PolarHBondContact O-N 3.39Å; M365-Y379 HydrophobicContact CE-CD1 3.76Å; M365-Y379 HydrophobicContact CE-CE1 3.74Å; M365-Y379 HydrophobicContact CG-CD1 3.87Å; M365-Y379 HydrophobicContact CG-CG 4.32Å; M365-Y379 PolarHBondContact N-O 2.97Å; M365-Y379 PolarHBondContact O-N 3.09Å; M365-Y379 HydrophobicContact SD-CD1 4.11Å; M365-Y379 HydrophobicContact SD-CG 4.42Å; M365-M397 HydrophobicContact CE-CE 3.86Å
366G91.4Very high80.2Confident0 Ų059.4 Ų59.40%033%0.33CS..EExtended strand (participates in β ladder)trans-172.2178.5179.700000113.7A292 D293 V294 L375 H376A292-G366 CarbonylContact C-O 3.57Å; A292-G366 WeakPolarHBondContact CB-O 3.26Å; D293-G366 PolarHBondContact N-O 3.22Å; V294-G366 PolarHBondContact N-O 2.89Å; V294-G366 VanDerWaalsContact N-O 3.13Å; V294-G366 PolarHBondContact O-N 2.84Å; V294-G366 VanDerWaalsContact O-N 3.11Å; G366-L375 VanDerWaalsContact C-CD1 3.46Å; G366-H376 CarbonylContact C-O 3.47Å; G366-H376 WeakPolarHBondContact CA-O 3.43Å
367K89.3Confident82.1Confident81 Ų8151.9 Ų51.935%0.35229%0.291SS..EExtended strand (participates in β ladder)trans-101.2144.6174-66-171.1-176.973.70110.7D293 L375 H376 E378D293-K367 VanDerWaalsContact OD2-CA 3.26Å; D293-K367 WeakPolarHBondContact OD2-CA 3.35Å; D293-K367 WeakPolarHBondContact OD2-CB 3.36Å; K367-L375 WeakPolarHBondContact O-CD1 3.19Å; K367-H376 PolarHBondContact N-O 3.08Å; K367-H376 VanDerWaalsContact N-O 3.11Å; K367-H376 PolarHBondContact O-N 3.28Å; K367-E378 IonicContact NZ-OE1 3.67Å; K367-E378 PolarHBondContact NZ-OE1 3.45Å; K367-E378 IonicContact NZ-OE2 3.03Å; K367-E378 PolarHBondContact NZ-OE2 2.85Å
368I87.6Confident83.6Confident38 Ų3850.4 Ų50.420%0.19528%0.28CS..EExtended strand (participates in β ladder)trans-81136.4173.8-166.3167.2000109.2D293 I332 L337 I374D293-I368 HydrophobicContact CB-CG2 4.41Å; D293-I368 PolarHBondContact OD2-N 3.41Å; I332-I368 HydrophobicContact CD1-CD1 3.59Å; I332-I368 HydrophobicContact CG1-CD1 4.08Å; I332-I368 HydrophobicContact CG2-CD1 4.43Å; L337-I368 HydrophobicContact CD1-CD1 4.38Å; I368-I374 WeakPolarHBondContact CG1-O 3.49Å
369S84.5Confident85.2Confident34 Ų3448.4 Ų48.424%0.23826%0.259CS..PPolyproline II helixtrans-65.4160.7175.2-152.70000111.1S371 I374 H376S369-S371 CarbonylContact C-O 3.46Å; S369-S371 CarbonylContact O-C 3.6Å; S369-S371 PolarHBondContact O-N 2.93Å; S369-S371 VanDerWaalsContact O-O 3.1Å; S369-I374 PolarHBondContact N-O 3.24Å; S369-H376 WeakPolarHBondContact CB-NE2 3.45Å; S369-H376 PolarHBondContact OG-NE2 3.08Å
370S73Confident86.2Confident132 Ų13242.2 Ų42.292%0.92323%0.228SC*.SBendtrans-60.4-28.8176.8-54.30000111.9
371S67.2Low86.8Confident69 Ų6939.6 Ų39.648%0.48321%0.212SC..SBendtrans-78.2116.2158.749.80000109.8S369 G373 I374S369-S371 CarbonylContact C-O 3.46Å; S369-S371 CarbonylContact O-C 3.6Å; S369-S371 PolarHBondContact O-N 2.93Å; S369-S371 VanDerWaalsContact O-O 3.1Å; S371-G373 PolarHBondContact O-N 3.45Å; S371-I374 PolarHBondContact O-N 3.26Å
372R67.8Low86.8Confident174 Ų17440 Ų4066%0.65721%0.212SC*.THydrogen-bonded Turntrans-66.420.2-171.1-65.9178.9169.7151.2-4116.3Q330Q330-R372 VanDerWaalsContact OE1-CZ 3.26Å; Q330-R372 VanDerWaalsContact OE1-NE 3.09Å
373G79.6Confident86.7Confident31 Ų3141.4 Ų41.432%0.3222%0.219SC..THydrogen-bonded Turntrans-116.8-9.6-178.200000115.4L337 K338 S371L337-G373 CarbonylContact C-O 3.46Å; K338-G373 PolarHBondContact N-O 3.41Å; S371-G373 PolarHBondContact O-N 3.45Å
374I87.4Confident86.3Confident51 Ų5146 Ų4626%0.26224%0.244SC..EExtended strand (participates in β ladder)trans-117.9130.9-176.6-54.9177.2000110.8K338 T340 I368 S369 S371K338-I374 HydrophobicContact CB-CG1 4.46Å; K338-I374 WeakPolarHBondContact O-CA 3.17Å; T340-I374 HydrophobicContact CG2-CG2 4.24Å; I368-I374 WeakPolarHBondContact CG1-O 3.49Å; S369-I374 PolarHBondContact N-O 3.24Å; S371-I374 PolarHBondContact O-N 3.26Å
375L90.1Very high85.6Confident0 Ų056.5 Ų56.50%028%0.283CS..EExtended strand (participates in β ladder)trans-108.4108.8170.6171.760.5000109.3V294 I296 L337 K338 I339 T340 G366 K367 V377V294-L375 HydrophobicContact CB-CD1 3.88Å; V294-L375 HydrophobicContact CB-CD2 4.11Å; V294-L375 HydrophobicContact CG1-CD2 3.84Å; V294-L375 HydrophobicContact CG2-CD1 4.28Å; I296-L375 HydrophobicContact CD1-CD2 3.56Å; L337-L375 HydrophobicContact CD1-CB 4.03Å; L337-L375 HydrophobicContact CD2-CB 3.92Å; L337-L375 HydrophobicContact CD2-CD2 3.98Å; L337-L375 HydrophobicContact CG-CB 3.88Å; K338-L375 PolarHBondContact O-N 2.69Å; I339-L375 HydrophobicContact CD1-CD2 4.38Å; I339-L375 HydrophobicContact CG1-CB 4.36Å; I339-L375 HydrophobicContact CG1-CD2 4.17Å; I339-L375 HydrophobicContact CG2-CD2 4.32Å; T340-L375 PolarHBondContact N-O 3.02Å; G366-L375 VanDerWaalsContact C-CD1 3.46Å; K367-L375 WeakPolarHBondContact O-CD1 3.19Å; L375-V377 PolarHBondContact O-N 3.28Å
376H89.3Confident85.2Confident64 Ų6460.4 Ų60.430%0.29631%0.311SS..EExtended strand (participates in β ladder)trans-81.8114.7172.9-61-78.3000108.9T340 D342 G366 K367 S369 E378T340-H376 PolarHBondContact OG1-ND1 2.83Å; D342-H376 IonicContact OD2-CE1 3.17Å; D342-H376 IonicContact OD2-CG 3.38Å; D342-H376 IonicContact OD2-ND1 2.67Å; D342-H376 PolarHBondContact OD2-ND1 3.03Å; G366-H376 CarbonylContact C-O 3.47Å; G366-H376 WeakPolarHBondContact CA-O 3.43Å; K367-H376 PolarHBondContact N-O 3.08Å; K367-H376 VanDerWaalsContact N-O 3.11Å; K367-H376 PolarHBondContact O-N 3.28Å; S369-H376 WeakPolarHBondContact CB-NE2 3.45Å; S369-H376 PolarHBondContact OG-NE2 3.08Å; H376-E378 PolarHBondContact O-N 3.25Å
377V90.4Very high85.1Confident10 Ų1062.1 Ų62.16%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-76.8116.3-177.3177.80000110.3I339 T340 V341 I364 L375 Y379 L380I339-V377 HydrophobicContact CG2-CG2 3.49Å; I339-V377 VanDerWaalsContact CG2-CG2 3.49Å; T340-V377 WeakPolarHBondContact O-CG2 3.31Å; T340-V377 PolarHBondContact O-N 3.23Å; V341-V377 HydrophobicContact CG2-CB 3.92Å; V341-V377 HydrophobicContact CG2-CG1 4.28Å; V341-V377 HydrophobicContact CG2-CG2 4.01Å; I364-V377 HydrophobicContact CG2-CB 4.46Å; I364-V377 HydrophobicContact CG2-CG1 3.87Å; I364-V377 HydrophobicContact CG2-CG2 3.68Å; L375-V377 PolarHBondContact O-N 3.28Å; V377-Y379 WeakPolarHBondContact CG1-O 3.43Å; V377-L380 HydrophobicContact CG1-CB 4.16Å
378E87.6Confident85.2Confident83 Ų8363.3 Ų63.339%0.38833%0.33SS..EExtended strand (participates in β ladder)trans-98.1-20.5175.3-64.5-176.8153.300112.2G275 M365 K367 H376G275-E378 VanDerWaalsContact CA-O 3.28Å; G275-E378 WeakPolarHBondContact CA-O 3.29Å; G275-E378 PolarHBondContact N-O 3.37Å; M365-E378 PolarHBondContact O-N 3.39Å; K367-E378 IonicContact NZ-OE1 3.67Å; K367-E378 PolarHBondContact NZ-OE1 3.45Å; K367-E378 IonicContact NZ-OE2 3.03Å; K367-E378 PolarHBondContact NZ-OE2 2.85Å; H376-E378 PolarHBondContact O-N 3.25Å
379Y91.8Very high85.4Confident2 Ų262.3 Ų62.31%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-142.4132.9179.7-175.7-81.7000112G275 V277 P280 S288 L363 I364 M365 V377 S381G275-Y379 CarbonylContact O-C 3.5Å; G275-Y379 WeakPolarHBondContact O-CA 3.49Å; V277-Y379 HydrophobicContact CB-CE2 4.29Å; V277-Y379 HydrophobicContact CG2-CD2 4.02Å; V277-Y379 HydrophobicContact CG2-CE2 3.55Å; P280-Y379 WeakPolarHBondContact CB-OH 3.45Å; S288-Y379 WeakPolarHBondContact OG-CD2 3.42Å; L363-Y379 HydrophobicContact CD2-CE1 4.31Å; L363-Y379 HydrophobicContact CG-CE1 4.47Å; I364-Y379 CarbonylContact C-O 3.54Å; I364-Y379 WeakPolarHBondContact CA-O 3.34Å; M365-Y379 HydrophobicContact CE-CD1 3.76Å; M365-Y379 HydrophobicContact CE-CE1 3.74Å; M365-Y379 HydrophobicContact CG-CD1 3.87Å; M365-Y379 HydrophobicContact CG-CG 4.32Å; M365-Y379 PolarHBondContact N-O 2.97Å; M365-Y379 PolarHBondContact O-N 3.09Å; M365-Y379 HydrophobicContact SD-CD1 4.11Å; M365-Y379 HydrophobicContact SD-CG 4.42Å; V377-Y379 WeakPolarHBondContact CG1-O 3.43Å; Y379-S381 WeakPolarHBondContact CE1-OG 3.47Å
380L91.6Very high85.7Confident1 Ų160.7 Ų60.71%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-145.2124-179.4-179.165.4000110G275 C276 V277 I300 L348 W362 L363 I364 V377G275-L380 PolarHBondContact O-N 3.1Å; G275-L380 VanDerWaalsContact O-O 3.09Å; C276-L380 WeakPolarHBondContact CA-O 3.31Å; V277-L380 PolarHBondContact N-O 3.35Å; I300-L380 HydrophobicContact CD1-CD1 4.44Å; L348-L380 HydrophobicContact CD1-CD2 3.83Å; L348-L380 HydrophobicContact CD2-CD2 3.59Å; L348-L380 HydrophobicContact CG-CD2 3.65Å; W362-L380 HydrophobicContact CB-CD1 4.45Å; W362-L380 HydrophobicContact CD2-CD1 4.38Å; W362-L380 HydrophobicContact CE3-CD1 3.57Å; W362-L380 HydrophobicContact CE3-CD2 4.35Å; W362-L380 HydrophobicContact CE3-CG 3.8Å; W362-L380 HydrophobicContact CZ3-CD1 4.19Å; W362-L380 HydrophobicContact CZ3-CD2 4.17Å; W362-L380 HydrophobicContact CZ3-CG 3.92Å; L363-L380 WeakPolarHBondContact O-CA 3.27Å; I364-L380 HydrophobicContact CB-CD1 4.44Å; I364-L380 HydrophobicContact CG1-CD1 3.75Å; I364-L380 HydrophobicContact CG2-CD1 4.49Å; V377-L380 HydrophobicContact CG1-CB 4.16Å
381S91.4Very high86.7Confident0 Ų060.7 Ų60.70%030%0.301CS..EExtended strand (participates in β ladder)trans-147.6155.1173.964.20000113.7V277 W362 L363 Y379V277-S381 WeakPolarHBondContact O-CB 3.49Å; W362-S381 WeakPolarHBondContact CA-O 3.42Å; L363-S381 PolarHBondContact N-O 2.91Å; L363-S381 PolarHBondContact O-N 3.06Å; Y379-S381 WeakPolarHBondContact CE1-OG 3.47Å
382R90Very high87.9Confident68 Ų6865.1 Ų65.126%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-79.1129.5177.3-68.3-178.7-179.21566.1110.5L347 E350 W362 N384L347-R382 HydrophobicContact CD2-CG 4.41Å; L347-R382 PolarHBondContact O-NH2 2.62Å; E350-R382 VanDerWaalsContact CB-NH2 3.34Å; E350-R382 IonicContact OE2-CZ 3.68Å; E350-R382 IonicContact OE2-NH1 3.51Å; E350-R382 PolarHBondContact OE2-NH1 2.96Å; E350-R382 IonicContact OE2-NH2 2.8Å; E350-R382 PolarHBondContact OE2-NH2 3.42Å; W362-R382 HydrophobicContact CD2-CG 4.16Å; W362-R382 HydrophobicContact CE3-CG 3.92Å; W362-R382 HydrophobicContact CH2-CG 3.35Å; W362-R382 HydrophobicContact CZ2-CG 3.54Å; W362-R382 VanDerWaalsContact CZ2-NE 3.34Å; W362-R382 HydrophobicContact CZ3-CG 3.54Å; R382-N384 VanDerWaalsContact C-N 3.32Å; R382-N384 PolarHBondContact O-N 3.06Å
383I89Confident89.1Confident30 Ų3056.9 Ų56.915%0.15428%0.276CS..  trans-83.977.9177.8-51.9176.1000110.4R297 K361 W362 L363 L390 L394R297-I383 HydrophobicContact CB-CD1 4.48Å; R297-I383 HydrophobicContact CG-CD1 3.59Å; K361-I383 HydrophobicContact CB-CD1 4.48Å; K361-I383 WeakPolarHBondContact O-CA 3.33Å; K361-I383 WeakPolarHBondContact O-CB 3.48Å; K361-I383 WeakPolarHBondContact O-CG1 3.44Å; K361-I383 PolarHBondContact O-N 2.87Å; W362-I383 WeakPolarHBondContact O-CD1 3.19Å; L363-I383 HydrophobicContact CB-CD1 3.99Å; L363-I383 HydrophobicContact CB-CG1 3.93Å; I383-L390 HydrophobicContact CB-CD2 4.24Å; I383-L390 HydrophobicContact CG1-CD2 4.27Å; I383-L390 HydrophobicContact CG2-CD2 4.11Å; I383-L394 HydrophobicContact CD1-CD1 4.21Å; I383-L394 HydrophobicContact CG1-CD1 4.4Å; I383-L394 HydrophobicContact CG2-CD1 3.58Å
384N85.3Confident89.7Confident98 Ų9856.6 Ų56.652%0.52427%0.267SS..  trans-69.7142.8169.8-161.6-22.6000110.8R382 S386R382-N384 VanDerWaalsContact C-N 3.32Å; R382-N384 PolarHBondContact O-N 3.06Å; N384-S386 PolarHBondContact ND2-OG 2.89Å; N384-S386 PolarHBondContact OD1-N 3.04Å; N384-S386 PolarHBondContact OD1-OG 2.97Å; N384-S386 VanDerWaalsContact OD1-OG 3.12Å
385R80.4Confident90Very high219 Ų21961.7 Ų61.783%0.82629%0.287SS*.SBendtrans-75.8-23177-63.7-174.3-175-172.94.8112.9
386S84.9Confident90.1Very high83 Ų8362.4 Ų62.458%0.5829%0.293SS*.SBendtrans-73.6-38.3179.360.10000113N384 L388N384-S386 PolarHBondContact ND2-OG 2.89Å; N384-S386 PolarHBondContact OD1-N 3.04Å; N384-S386 PolarHBondContact OD1-OG 2.97Å; N384-S386 VanDerWaalsContact OD1-OG 3.12Å; S386-L388 PolarHBondContact O-N 3.3Å
387N89.7Confident90.3Very high37 Ų3759.6 Ų59.620%0.19828%0.28CS..  trans-65.1104.3-174.5-177.4-31.2000111.2P280 G389 L390 K391P280-N387 PolarHBondContact O-ND2 2.88Å; P280-N387 PolarHBondContact O-OD1 3.43Å; N387-G389 WeakPolarHBondContact OD1-CA 3.45Å; N387-G389 PolarHBondContact OD1-N 3.34Å; N387-L390 HydrophobicContact CB-CB 4.23Å; N387-L390 PolarHBondContact OD1-N 3.37Å; N387-K391 WeakPolarHBondContact O-CB 3.48Å; N387-K391 PolarHBondContact O-N 3Å
388L91.3Very high90.3Very high105 Ų10568.8 Ų68.855%0.5531%0.314SS..Hα-helixtrans-69.6-30.3-179.5-65.4178.5000112.9S386 K391 R392S386-L388 PolarHBondContact O-N 3.3Å; L388-K391 HydrophobicContact CD2-CD 4.36Å; L388-R392 WeakPolarHBondContact O-CB 3.42Å; L388-R392 WeakPolarHBondContact O-CG 3.46Å; L388-R392 PolarHBondContact O-N 2.88Å
389G90.3Very high90.2Very high17 Ų1772 Ų7218%0.17532%0.322CS..Hα-helixtrans-64.2-56.4176.800000111.2N387 K391 R392 A393N387-G389 WeakPolarHBondContact OD1-CA 3.45Å; N387-G389 PolarHBondContact OD1-N 3.34Å; G389-K391 VanDerWaalsContact C-N 3.3Å; G389-K391 PolarHBondContact O-N 3.29Å; G389-R392 WeakPolarHBondContact O-CB 3.38Å; G389-R392 PolarHBondContact O-N 2.9Å; G389-R392 VanDerWaalsContact O-N 3.12Å; G389-A393 PolarHBondContact O-N 3.41Å
390L92.3Very high89.9Confident1 Ų174.9 Ų74.91%0.00534%0.341CS..Hα-helixtrans-59.4-38.9174.5-17566.8000112.3P280 A285 L363 I383 N387 R392 A393 L394P280-L390 HydrophobicContact CB-CD1 4.19Å; P280-L390 HydrophobicContact CG-CB 4.16Å; P280-L390 HydrophobicContact CG-CD1 4.18Å; P280-L390 HydrophobicContact CG-CD2 3.83Å; P280-L390 HydrophobicContact CG-CG 4.27Å; A285-L390 HydrophobicContact CB-CD1 4.3Å; L363-L390 HydrophobicContact CD2-CD1 3.69Å; I383-L390 HydrophobicContact CB-CD2 4.24Å; I383-L390 HydrophobicContact CG1-CD2 4.27Å; I383-L390 HydrophobicContact CG2-CD2 4.11Å; N387-L390 HydrophobicContact CB-CB 4.23Å; N387-L390 PolarHBondContact OD1-N 3.37Å; L390-R392 VanDerWaalsContact C-N 3.35Å; L390-R392 PolarHBondContact O-N 3.38Å; L390-A393 PolarHBondContact O-N 3.02Å; L390-L394 HydrophobicContact CD1-CD1 4.35Å; L390-L394 HydrophobicContact CD1-CG 4.31Å; L390-L394 HydrophobicContact CD2-CD1 4.43Å; L390-L394 HydrophobicContact CG-CD1 3.96Å; L390-L394 HydrophobicContact CG-CG 4.34Å; L390-L394 WeakPolarHBondContact O-CB 3.38Å; L390-L394 WeakPolarHBondContact O-CG 3.45Å; L390-L394 PolarHBondContact O-N 2.9Å
391K92.5Very high89.5Confident131 Ų13177.6 Ų77.657%0.5736%0.359SS*.Hα-helixtrans-65-34.7176-172.6176.8-177.31770112.8N387 L388 G389 K395N387-K391 WeakPolarHBondContact O-CB 3.48Å; N387-K391 PolarHBondContact O-N 3Å; L388-K391 HydrophobicContact CD2-CD 4.36Å; G389-K391 VanDerWaalsContact C-N 3.3Å; G389-K391 PolarHBondContact O-N 3.29Å; K391-K395 PolarHBondContact O-N 2.99Å
392R92.7Very high89Confident163 Ų16382 Ų8262%0.61539%0.389SS*.Hα-helixtrans-68.6-44.4169.3-70.8164.8-171.8-175.14.7110.5F282 L388 G389 L390 K395 A396F282-R392 HydrophobicContact CD2-CB 3.77Å; F282-R392 HydrophobicContact CE2-CB 4.06Å; L388-R392 WeakPolarHBondContact O-CB 3.42Å; L388-R392 WeakPolarHBondContact O-CG 3.46Å; L388-R392 PolarHBondContact O-N 2.88Å; G389-R392 WeakPolarHBondContact O-CB 3.38Å; G389-R392 PolarHBondContact O-N 2.9Å; G389-R392 VanDerWaalsContact O-N 3.12Å; L390-R392 VanDerWaalsContact C-N 3.35Å; L390-R392 PolarHBondContact O-N 3.38Å; R392-K395 WeakPolarHBondContact O-CB 3.48Å; R392-K395 PolarHBondContact O-N 2.9Å; R392-K395 VanDerWaalsContact O-N 3.1Å; R392-A396 PolarHBondContact O-N 3.28Å
393A93.2Very high88.7Confident0 Ų084.9 Ų84.90%041%0.406CS..Hα-helixtrans-61.6-50.8-179.100000111.7F282 A285 I286 G389 L390 K395 A396 M397F282-A393 HydrophobicContact CD2-CB 3.9Å; F282-A393 HydrophobicContact CE2-CB 4.33Å; A285-A393 HydrophobicContact CB-CB 3.8Å; I286-A393 HydrophobicContact CD1-CB 4.07Å; I286-A393 HydrophobicContact CG1-CB 4.11Å; G389-A393 PolarHBondContact O-N 3.41Å; L390-A393 PolarHBondContact O-N 3.02Å; A393-K395 PolarHBondContact O-N 3.45Å; A393-K395 VanDerWaalsContact O-N 3.09Å; A393-A396 WeakPolarHBondContact O-CA 3.42Å; A393-A396 WeakPolarHBondContact O-CB 3.46Å; A393-A396 PolarHBondContact O-N 2.75Å; A393-M397 HydrophobicContact CB-CE 4.02Å; A393-M397 VanDerWaalsContact O-CG 3.27Å; A393-M397 WeakPolarHBondContact O-CG 3.43Å; A393-M397 PolarHBondContact O-N 3.13Å
394L93.5Very high88.6Confident25 Ų2585 Ų8513%0.13141%0.407CS..Hα-helixtrans-63.1-13173.8-71.5171.8000114.7L325 L363 I383 L390 M397 R398L325-L394 HydrophobicContact CD1-CD2 4.03Å; L363-L394 HydrophobicContact CD1-CD2 4.14Å; L363-L394 HydrophobicContact CD2-CD2 4.07Å; I383-L394 HydrophobicContact CD1-CD1 4.21Å; I383-L394 HydrophobicContact CG1-CD1 4.4Å; I383-L394 HydrophobicContact CG2-CD1 3.58Å; L390-L394 HydrophobicContact CD1-CD1 4.35Å; L390-L394 HydrophobicContact CD1-CG 4.31Å; L390-L394 HydrophobicContact CD2-CD1 4.43Å; L390-L394 HydrophobicContact CG-CD1 3.96Å; L390-L394 HydrophobicContact CG-CG 4.34Å; L390-L394 WeakPolarHBondContact O-CB 3.38Å; L390-L394 WeakPolarHBondContact O-CG 3.45Å; L390-L394 PolarHBondContact O-N 2.9Å; L394-M397 HydrophobicContact CD2-SD 4.1Å; L394-R398 PolarHBondContact O-NE 3Å
395K92.7Very high88.7Confident159 Ų15982.5 Ų82.569%0.69140%0.397SS*.Hα-helixtrans-88.6-37.5168.8-171.5179.9178.7-177.60111.2K391 R392 A393K391-K395 PolarHBondContact O-N 2.99Å; R392-K395 WeakPolarHBondContact O-CB 3.48Å; R392-K395 PolarHBondContact O-N 2.9Å; R392-K395 VanDerWaalsContact O-N 3.1Å; A393-K395 PolarHBondContact O-N 3.45Å; A393-K395 VanDerWaalsContact O-N 3.09Å
396A92Very high88.7Confident14 Ų1478.3 Ų78.312%0.11638%0.384CS..Hα-helixtrans-69.5-42.5176.600000112.5F282 I286 R392 A393 R398 R399 L404F282-A396 HydrophobicContact CE2-CB 4.3Å; I286-A396 HydrophobicContact CD1-CB 3.98Å; R392-A396 PolarHBondContact O-N 3.28Å; A393-A396 WeakPolarHBondContact O-CA 3.42Å; A393-A396 WeakPolarHBondContact O-CB 3.46Å; A393-A396 PolarHBondContact O-N 2.75Å; A396-R398 PolarHBondContact O-N 3.28Å; A396-R399 WeakPolarHBondContact O-CB 3.27Å; A396-R399 PolarHBondContact O-N 3.11Å; A396-L404 HydrophobicContact CB-CD1 3.97Å; A396-L404 HydrophobicContact CB-CD2 4.36Å
397M92.8Very high87.5Confident6 Ų680.5 Ų80.53%0.0339%0.389CS..THydrogen-bonded Turntrans-59.1-6.8176.6-66.3170.6-172.500115A285 I286 F289 L325 L363 M365 A393 L394 R399 L404A285-M397 HydrophobicContact CB-CE 3.93Å; A285-M397 WeakPolarHBondContact O-CE 3.48Å; I286-M397 HydrophobicContact CD1-CE 4.14Å; I286-M397 HydrophobicContact CD1-CG 4.13Å; F289-M397 HydrophobicContact CB-CE 3.87Å; F289-M397 HydrophobicContact CB-CG 4.37Å; F289-M397 HydrophobicContact CB-SD 4.47Å; F289-M397 HydrophobicContact CD1-CG 4.43Å; F289-M397 HydrophobicContact CD2-CB 4.04Å; F289-M397 HydrophobicContact CD2-CE 4.4Å; F289-M397 HydrophobicContact CD2-CG 3.54Å; F289-M397 HydrophobicContact CD2-SD 3.9Å; F289-M397 HydrophobicContact CE2-CB 3.85Å; F289-M397 HydrophobicContact CE2-CG 3.88Å; F289-M397 HydrophobicContact CG-CE 4.36Å; F289-M397 HydrophobicContact CG-CG 3.86Å; F289-M397 HydrophobicContact CG-SD 4.4Å; F289-M397 HydrophobicContact CZ-CB 4.35Å; F289-M397 HydrophobicContact CZ-CG 4.46Å; L325-M397 HydrophobicContact CD1-SD 4.34Å; L363-M397 HydrophobicContact CD2-CE 4.29Å; L363-M397 HydrophobicContact CD2-SD 4.5Å; M365-M397 HydrophobicContact CE-CE 3.86Å; A393-M397 HydrophobicContact CB-CE 4.02Å; A393-M397 VanDerWaalsContact O-CG 3.27Å; A393-M397 WeakPolarHBondContact O-CG 3.43Å; A393-M397 PolarHBondContact O-N 3.13Å; L394-M397 HydrophobicContact CD2-SD 4.1Å; M397-R399 VanDerWaalsContact C-N 3.31Å; M397-L404 HydrophobicContact CG-CD2 4.48Å
398R90.3Very high85.6Confident202 Ų20284 Ų8476%0.76241%0.414SS*.THydrogen-bonded Turntrans-80.9-12.6171.9-54.9-177.4-170.5-167.70.1113L394 A396L394-R398 PolarHBondContact O-NE 3Å; A396-R398 PolarHBondContact O-N 3.28Å
399R86.7Confident83.6Confident151 Ų15184.9 Ų84.957%0.5742%0.418SS*.SBendtrans-79.7150.2170.6-64.1178.7177.3170.1-3.2108.9A396 M397A396-R399 WeakPolarHBondContact O-CB 3.27Å; A396-R399 PolarHBondContact O-N 3.11Å; M397-R399 VanDerWaalsContact C-N 3.31Å
400P85.1Confident81.3Confident62 Ų6288.2 Ų88.240%0.40344%0.438SS..  trans-58.7143.9173.726.6-35.1000110.4S402 Q403P400-S402 PolarHBondContact O-N 3.42Å; P400-S402 VanDerWaalsContact O-N 3.09Å; P400-Q403 HydrophobicContact CG-CB 4.42Å; P400-Q403 HydrophobicContact CG-CG 3.99Å; P400-Q403 PolarHBondContact O-N 3.43Å
401P83.2Confident78.9Confident58 Ų5892.5 Ų92.538%0.37746%0.461SS..Hα-helixtrans-59.6-27.7-174.722.1-33000112.9F289 Q403 L404 C405F289-P401 HydrophobicContact CE1-CB 4.11Å; F289-P401 HydrophobicContact CZ-CB 4.47Å; P401-Q403 PolarHBondContact O-N 3.38Å; P401-L404 PolarHBondContact O-N 2.84Å; P401-L404 VanDerWaalsContact O-N 3.07Å; P401-C405 WeakPolarHBondContact O-CB 3.35Å; P401-C405 PolarHBondContact O-N 3.19Å
402S81.7Confident76.4Confident92 Ų9296.7 Ų96.764%0.64347%0.473SS*.Hα-helixtrans-62.6-16.2174.2530000115.2P400P400-S402 PolarHBondContact O-N 3.42Å; P400-S402 VanDerWaalsContact O-N 3.09Å
403Q83.9Confident74Confident129 Ų12996.3 Ų96.360%0.60348%0.482SS*.Hα-helixtrans-99.2-18.4172.7-70.1-180-4.100113.4P400 P401P400-Q403 HydrophobicContact CG-CB 4.42Å; P400-Q403 HydrophobicContact CG-CG 3.99Å; P400-Q403 PolarHBondContact O-N 3.43Å; P401-Q403 PolarHBondContact O-N 3.38Å
404L86.3Confident71.3Confident34 Ų34100.4 Ų100.418%0.17851%0.511CS..Hα-helixtrans-106.4-34.2-170-173.859.4000112.6I286 F289 A396 M397 P401I286-L404 HydrophobicContact CD1-CD1 4.26Å; I286-L404 HydrophobicContact CD1-CD2 3.97Å; I286-L404 HydrophobicContact CD1-CG 4.42Å; I286-L404 HydrophobicContact CG2-CD1 4.34Å; I286-L404 HydrophobicContact CG2-CG 4.32Å; F289-L404 HydrophobicContact CD1-CD2 3.96Å; F289-L404 HydrophobicContact CE1-CD2 3.75Å; F289-L404 HydrophobicContact CZ-CD2 4.47Å; A396-L404 HydrophobicContact CB-CD1 3.97Å; A396-L404 HydrophobicContact CB-CD2 4.36Å; M397-L404 HydrophobicContact CG-CD2 4.48Å; P401-L404 PolarHBondContact O-N 2.84Å; P401-L404 VanDerWaalsContact O-N 3.07Å
405C88.3Confident68.4Low45 Ų45103.4 Ų103.430%0.30453%0.534SS..SBendtrans-101.224.6-174.5-590000113.1C290 P401 L407C290-C405 WeakPolarHBondContact CA-SG 3.45Å; C290-C405 HydrophobicContact CB-CB 3.66Å; C290-C405 WeakPolarHBondContact CB-SG 3.44Å; C290-C405 WeakPolarHBondContact SG-CA 3.32Å; C290-C405 WeakPolarHBondContact SG-CB 3.29Å; C290-C405 CovalentContact SG-SG 2.04Å; C290-C405 PolarHBondContact SG-SG 2.96Å; P401-C405 WeakPolarHBondContact O-CB 3.35Å; P401-C405 PolarHBondContact O-N 3.19Å; C405-L407 PolarHBondContact O-N 2.78Å
406K79.7Confident65.6Low130 Ų130101.2 Ų101.257%0.56553%0.534SS*.  trans-73.5111.4168.9-82.9-166.4153.3-147.50109.2D411K406-D411 IonicContact NZ-OD1 2.72Å; K406-D411 IonicContact NZ-OD2 3.3Å; K406-D411 PolarHBondContact NZ-OD2 3.48Å
407L60Low62.8Low130 Ų130108.1 Ų108.168%0.68157%0.569SS**  trans-61.5129.4161-66.8172000108.2C405 I409C405-L407 PolarHBondContact O-N 2.78Å; L407-I409 HydrophobicContact CB-CB 4.48Å; L407-I409 HydrophobicContact CB-CD1 4.17Å; L407-I409 HydrophobicContact CB-CG1 4.2Å; L407-I409 PolarHBondContact O-N 3.27Å
408P49.6Very low59.7Low111 Ų111112.9 Ų112.972%0.72160%0.603SS**THydrogen-bonded Turntrans-75.121.8-176.731.9-36.9000113.9
409I49.3Very low56.9Low123 Ų123111 Ų11163%0.63161%0.608SS**THydrogen-bonded Turntrans-93.2-19.6-161.8-60.3176.8000112.5L407L407-I409 HydrophobicContact CB-CB 4.48Å; L407-I409 HydrophobicContact CB-CD1 4.17Å; L407-I409 HydrophobicContact CB-CG1 4.2Å; L407-I409 PolarHBondContact O-N 3.27Å
410S42.2Very low54.4Low86 Ų86109.8 Ų109.860%0.60162%0.618SS**SBendtrans-113.8-20.9-174.6-51.60000115.6R412 S414S410-R412 PolarHBondContact O-N 3.23Å; S410-S414 PolarHBondContact O-OG 2.8Å
411D41.3Very low51.9Low92 Ų92114.8 Ų114.849%0.49264%0.641SS.*THydrogen-bonded Turntrans-81.86.2-174.5-70.6-4.1000113.3K406K406-D411 IonicContact NZ-OD1 2.72Å; K406-D411 IonicContact NZ-OD2 3.3Å; K406-D411 PolarHBondContact NZ-OD2 3.48Å
412R39.9Very low49.6Very low219 Ų219120.5 Ų120.583%0.82666%0.663SS**THydrogen-bonded Turntrans-113.3-11.2178.1-81.8-166.7177.8-164.11.3116.2S410S410-R412 PolarHBondContact O-N 3.23Å
413L43.4Very low47.2Very low154 Ų154123.8 Ų123.881%0.80667%0.672SS**SBendtrans-101.2-0.9172.1-83.280.3000112.7
414S35.2Very low44.6Very low87 Ų87124.8 Ų124.861%0.60868%0.682SS**SBendtrans-116.2-0.9-167.848.50000114.4S410S410-S414 PolarHBondContact O-OG 2.8Å
415S33.3Very low42Very low87 Ų87129 Ų12961%0.60871%0.709SS**SBendtrans-107.217.4-174.973.70000114.8
416T33.4Very low39.2Very low113 Ų113133.3 Ų133.369%0.69373%0.728SS**SBendtrans-13657.6179.2550000111.7
417N32.7Very low36.8Very low160 Ų160137.2 Ų137.286%0.85674%0.741SS**  trans-165.276.3157.5-101.5-19.1000110.5
418S29.4Very low35.7Very low106 Ų106139.7 Ų139.774%0.74175%0.749SS**  trans-142.350175.467.80000111.3
419N31.2Very low34.7Very low161 Ų161140.3 Ų140.386%0.86175%0.751SS**  trans-173.781.3167.3-98.3-19.6000111.8
420T32.8Very low34Very low126 Ų126143.4 Ų143.477%0.77376%0.76SS**  trans-168.985.2149.939.90000110.5Q422T420-Q422 PolarHBondContact O-N 3Å
421N32.6Very low33.8Very low168 Ų168144.6 Ų144.690%0.89877%0.768SS**  trans-86.389.9155.4-89.2-8.5000108
422Q35.7Very low33.3Very low178 Ų178146.6 Ų146.683%0.83278%0.784SS**  trans-172.4159.1160.8-109.7160.433.500111.5T420T420-Q422 PolarHBondContact O-N 3Å
423L31.3Very low33.2Very low161 Ų161142.4 Ų142.484%0.84379%0.785SS**  trans65.671.6170.8-67.2155.1000116.3
424N29.5Very low32.8Very low150 Ų150139.4 Ų139.480%0.80278%0.782SS**  trans-61.8166.9139.3-82.4-24.6000110.7
425T31.6Very low32.8Very low121 Ų121144.7 Ų144.774%0.74279%0.794SS**  trans95.2141.2168.673.20000117.5
426L28.7Very low32.9Very low136 Ų136151 Ų15171%0.71281%0.805SS**  trans61.9142.1-168.3-57.3103.8000113.9
427Y30.1Very low33.1Very low212 Ų212154.1 Ų154.183%0.83181%0.805SS**  cis-123.7136.415.8-73.5-96.1000113.4
428Q37Very low33.3Very low183 Ų183153 Ų15386%0.85580%0.799SS**  trans-91.5148154-77-177.8-15.600110
429T29.2Very low33.7Very low123 Ų123153.5 Ų153.576%0.75580%0.798SS**  trans-32.1131.6175.454.90000117.7
430K34.6Very low34Very low189 Ų189152.8 Ų152.882%0.82279%0.792SS**  172.5147.2108.2-93.7173.2-178.5178.90114.6
431S37.1Very low34.1Very low111 Ų111152 Ų15278%0.77679%0.793SS**  trans52.1130.4152.552.90000122.8
432T31.1Very low34.2Very low134 Ų134149.2 Ų149.282%0.82278%0.782SS**  trans-60.4154.1164.446.90000114.6
433P36.9Very low34.3Very low131 Ų131147.9 Ų147.985%0.85178%0.775SS**  -139-173.4102.739.5-27.9000113.8
434A35Very low34.5Very low90 Ų90149.6 Ų149.674%0.74477%0.771SS**  trans-130.3139.4-169.100000116.1
435K36.1Very low34.7Very low199 Ų199152.7 Ų152.787%0.86577%0.771SS**  trans48.1122.5155.1-62.5179.5178.5176.80120.2
436R35.2Very low34.9Very low219 Ų219151.6 Ų151.683%0.82676%0.764SS**  -175.3139.297.5-100.7-177.4168.1-171.5-3.8115.4
437Y36.5Very low35.4Very low179 Ų179152.9 Ų152.970%0.70277%0.766SS**  trans45.1121.4153.1-64.9-66000124.7
438N37.7Very low35.8Very low135 Ų135150.3 Ų150.372%0.72276%0.762SS**  35.8151.8117.4-50.67.3000120.2
439T37.5Very low36.1Very low117 Ų117146.8 Ų146.872%0.71875%0.754SS**  cis-170.3137.348.2-43.70000114.6
440I37.7Very low36.4Very low146 Ų146146.9 Ų146.975%0.74975%0.751SS**  trans28.1131.4149.2-52.9167.3000121.9
441S34.9Very low36.5Very low111 Ų111145 Ų14578%0.77674%0.742SS**  158.3171.8127.7550000112.9
442T35.7Very low36.4Very low109 Ų109148.9 Ų148.967%0.66974%0.741SS**  -160.2150.3-87.324.90000111.8
443Q37.7Very low36.4Very low150 Ų150149.4 Ų149.470%0.70174%0.738SS**  trans68.6156.8162.2-69.517451.800116.1
444R34.6Very low36.4Very low197 Ų197151 Ų15174%0.74373%0.734SS**  cis-143.81511.4-110.4154.5-147.5-163.99.3107.6
445R33.3Very low36.2Very low214 Ų214151 Ų15181%0.80873%0.729SS**  55.2134.786.1-146.3-157.8-76.1-171-3.8113.5
446V36.8Very low36Very low99 Ų99146.2 Ų146.260%0.672%0.72SS**  cis-118.3-139.98.8-142.20000110.9
447H38.3Very low35.9Very low162 Ų162140.7 Ų140.775%0.7572%0.715SS**  cis-135.5-143.63.5-118.1-38.5000114.4
448Q39.3Very low35.7Very low159 Ų159141.5 Ų141.574%0.74372%0.723SS**  trans-148.1177.7-144.9-88.1158-81.500116.5
449P42Very low35.4Very low108 Ų108138.9 Ų138.970%0.70172%0.715SS**  trans-125.2-176.3-158.345.4-33.7000116.7
450N37.1Very low35.1Very low126 Ų126138.7 Ų138.767%0.67472%0.718SS**  trans-162.7136.4151.4-91-46.5000110.7
451K35.4Very low35Very low150 Ų150137.3 Ų137.365%0.65272%0.716SS**  60.8145.395.7-53.8178.3-171.2167.90115.4
452Y36.2Very low35Very low191 Ų191138.7 Ų138.775%0.74972%0.715SS**  cis-135.5156.98.8-60.8-97.3000108.8
453L30.6Very low34.9Very low146 Ų146138.8 Ų138.876%0.76472%0.72SS**  cis83.9138.246.2-122.2173.2000114.9
454H36Very low35Very low165 Ų165135.7 Ų135.776%0.76472%0.715SS**  trans78.7154.9-174.8-67.7-91.3000118.4
455S30.9Very low35.2Very low90 Ų90132.8 Ų132.863%0.62971%0.714SS**  cis-166.7162.8-4849.20000112.2
456S33Very low35.6Very low97 Ų97128.9 Ų128.968%0.67871%0.708SS**  trans64112.6148.157.20000123.2
457S32.5Very low35.7Very low103 Ų103129.1 Ų129.172%0.7271%0.706SS**  79.9141.6121.168.90000123.9
458F32Very low35.7Very low197 Ų197131.1 Ų131.186%0.86471%0.707SS**  trans65.7156.8161.8-86.6-128.1000117
459S32Very low35.7Very low80 Ų80130.5 Ų130.556%0.55971%0.707SS**  cis-175.2149.3-28.854.30000110.7
460S31.6Very low35.5Very low113 Ų113131.7 Ų131.779%0.7971%0.708SS**  trans68.8166.9156.391.20000116.2
461V36Very low35.6Very low116 Ų116136.5 Ų136.570%0.70372%0.716SS**  cis-159.9150.2-11.6101.30000112.6
462N33.2Very low35.7Very low140 Ų140138.4 Ų138.475%0.74973%0.725SS**  trans57.4158.4154.7-66.9-9000125.6
463S34.5Very low36Very low111 Ų111135.5 Ų135.578%0.77673%0.726SS**  trans88.7137.7144.1-76.10000119.7
464S39.3Very low36.8Very low85 Ų85133.8 Ų133.859%0.59472%0.724SS**  cis-165.3173.9-3.351.60000113.9
465N39.1Very low36.9Very low137 Ų137131.3 Ų131.373%0.73373%0.725SS**  trans76.3147.9150.5-66.7-11.8000118.9
466I40.9Very low37.1Very low131 Ų131132 Ų13267%0.67273%0.73SS**  cis-159.3153.8-2.8-122.6166.6000112.5
467D40Very low37.4Very low104 Ų104136.1 Ų136.156%0.55674%0.741SS**  trans51.4155157.8-70.68.4000122
468R37.7Very low37.4Very low205 Ų205136.8 Ų136.877%0.77474%0.741SS**  cis-154.4148.1-5.2-107160.7-151.7-168.111.8107.1
469I40.5Very low37.5Very low146 Ų146136.3 Ų136.375%0.74974%0.738SS**  cis72.8123.249-69.4174.8000111.6
470N38Very low37.8Very low133 Ų133140.3 Ų140.371%0.71175%0.748SS**  cis-167.3-172.28.6-145.7-30.3000113.8
471R37.6Very low37.9Very low227 Ų227139.8 Ų139.886%0.85774%0.744SS**  trans99.1116.7164.9-56.1177.1-172.9-170.61.8115.1
472K38.9Very low37.9Very low190 Ų190141 Ų14183%0.82675%0.747SS**  87.6138.652.2-78.5-165.8174.9-172.50112.4
473V42.1Very low38Very low129 Ų129139.9 Ų139.978%0.78275%0.747SS**  cis-159165.5-0.9110.80000110.8
474P47Very low38Very low111 Ų111146.8 Ų146.872%0.72176%0.756SS**  trans-117.2-172.7-166.844-34.9000115.9
475S37.4Very low37.6Very low112 Ų112152.2 Ų152.278%0.78377%0.769SS**  trans-159.7131.1154-82.10000115.1
476S36.8Very low37.4Very low105 Ų105155 Ų15573%0.73478%0.775SS**  trans26.2158.8140.2670000122.9
477M37.4Very low37.2Very low183 Ų183156.8 Ų156.890%0.90178%0.78SS**  cis-134.5173.219.2-86.6-168.3162.900114.6
478T32.7Very low36.7Very low117 Ų117158.2 Ų158.272%0.71879%0.793SS**  trans-107166.4-173500000114.6
479F35.1Very low36.8Very low187 Ų187154.8 Ų154.882%0.8280%0.795SS**  -165165.1121.3-106.1-65.9000114.6
480H37.5Very low36.3Very low165 Ų165159.4 Ų159.476%0.76480%0.803SS**  trans-58.2168-176.7-64.1-45.3000116.1
481S35.2Very low36.1Very low101 Ų101164.7 Ų164.771%0.70681%0.813SS**  cis-167.2-161.3-15.753.80000107.2
482N34.3Very low35.7Very low142 Ų142161 Ų16176%0.75981%0.809SS**  cis-160136.24.4-150.7-53.6000109.6
483P36Very low35.5Very low117 Ų117160 Ų16076%0.7681%0.812SS**  trans-97.8141.5-172.335.4-34000115.8
484R35.5Very low35Very low255 Ų255160.1 Ų160.196%0.96281%0.812SS**  trans-116.5129.3165-91.3-173.9170.8-176.3-1.6112.8
485K30.9Very low34.3Very low199 Ų199166.1 Ų166.187%0.86582%0.821SS**  trans-73.3152.4-179.9-54.5167.8-178.8174.20111.8
486K34.2Very low33.9Very low196 Ų196172.1 Ų172.185%0.85283%0.826SS**  -169.1118.1121.2-106.4167.9-177.7-176.70114.7
487H35.6Very low33.8Very low168 Ų168172.4 Ų172.478%0.77883%0.828SS**  trans34.5117152.2-72.5-84.2000122.2
488T31Very low33.7Very low135 Ų135173 Ų17383%0.82883%0.829SS**  trans-70143.9141.7460000111
489T38.2Very low33.6Very low132 Ų132170.7 Ų170.781%0.8183%0.828SS**  trans-138.2122.4161.748.30000110.2
490R31.3Very low33.6Very low244 Ų244169.3 Ų169.392%0.92184%0.835SS**  trans-108107-176.3-169.6-176-165.7179.24.6108.2
491R33.9Very low33.2Very low244 Ų244168.8 Ų168.892%0.92184%0.837SS**  trans-107114.7172.1-88.1-171.6171.6-179.4-2.1110.9
492L28.5Very low33.1Very low150 Ų150171 Ų17179%0.78584%0.841SS**  trans-81.9137.7160.4-69.4162.9000108.2
493L34.8Very low32.8Very low169 Ų169171 Ų17189%0.88584%0.835SS**  trans-138.6137.5158-76.4179.4000108.5
494V30.8Very low32.6Very low130 Ų130174.7 Ų174.779%0.78884%0.835SS**  trans-139.4150-176.2176.80000107.9
495R33.7Very low32.5Very low238 Ų238167.1 Ų167.190%0.89883%0.827SS**  trans101.4145.1-178.1-61.5172.7174.4168.5-2.7113.8
496R29.5Very low32.3Very low238 Ų238166.5 Ų166.590%0.89883%0.827SS**  cis143.692.7-25.7178.5-173.1-169.3175.64.5110.3
497S34.2Very low32.3Very low111 Ų111164 Ų16478%0.77682%0.823SS**  trans-171.4136.4159.239.70000104.8
498Q34.8Very low32.1Very low196 Ų196164.8 Ų164.892%0.91682%0.824SS**  cis67.8120.231.9-72.2-128.3-8.300115.5
499G30.2Very low32Very low68 Ų68169.5 Ų169.570%0.70183%0.828SS**  trans100.6100.116300000116.2
500T34.9Very low31.5Very low158 Ų158170.4 Ų170.497%0.96983%0.827SS**  -179.9156.4120.125.40000110.8
501L29.1Very low31.5Very low153 Ų153165.1 Ų165.180%0.80182%0.817SS**  trans-144.7118.2-175.5178.7154.8000109.3
502N33.7Very low31.4Very low147 Ų147160.8 Ų160.879%0.78681%0.813SS**  trans-171.3136.1161.5-90.4-35.4000106.1
503K28.9Very low31.7Very low144 Ų144160.9 Ų160.963%0.62681%0.812SS**  cis96.5133.130-161.5-177-172.2-165.10112
504Y30.7Very low31.4Very low194 Ų194160.4 Ų160.476%0.76181%0.811SS**  trans71.6145.9-170.1-44.6-69.9000113.8
505A33.7Very low31.7Very low96 Ų96162.2 Ų162.279%0.79381%0.81SS**  cis-141.7159.714.500000113.8
506E26.5Very low31.4Very low185 Ų185161.8 Ų161.886%0.86481%0.808SS**  trans-94.2143.6163-69.7176.1102.700110.8
507N33.7Very low31.7Very low145 Ų145155.5 Ų155.578%0.77580%0.801SS**  trans-166.8114.5146.1-97.6-45.8000106.8
508K31.6Very low31.6Very low183 Ų183158.7 Ų158.780%0.79680%0.801SS**  77.38774-168.7-177.4-176.6-178.10112
509Y29.8Very low31.6Very low234 Ų234155.1 Ų155.192%0.91879%0.788SS**  trans-135121.9155.8-90.6-82.5000108.7
510L28.1Very low31.8Very low152 Ų152160.2 Ų160.280%0.79680%0.798SS**  trans-148.2129.8171.6-168.895.8000105.1
511D31.5Very low31.5Very low133 Ų133161.6 Ų161.671%0.71179%0.793SS**  trans163.9147.4144.1-86.4-15.6000112.1
512N30.4Very low31.7Very low153 Ų153159.4 Ų159.482%0.81879%0.791SS**  trans66154.4170.2-55.2-48.7000115.9
513I34.3Very low31.7Very low152 Ų152159.1 Ų159.178%0.77979%0.788SS**  cis-128.215013.5-64.3164.4000110.4
514N29.5Very low31.9Very low159 Ų159163.1 Ų163.185%0.8580%0.799SS**  trans-125.7106.9176.6-133.1-9.9000111
515H36.4Very low32Very low168 Ų168159.8 Ų159.878%0.77880%0.799SS**  trans-154.7135.9168.4-87.5-88000108.2
516R28.4Very low32Very low228 Ų228161.2 Ų161.286%0.8680%0.8SS**  cis126.192.17-176.8-173-165.3-151.96.5109.3
517S34.6Very low32.3Very low107 Ų107157.8 Ų157.875%0.74880%0.797SS**  trans-165.9124.6158.2-84.60000107.9
518K33.9Very low32.1Very low177 Ų177156.5 Ų156.577%0.7780%0.795SS**  71.8136.179.5-70.8-169156-141.60113.3
519D34Very low32Very low122 Ų122155 Ų15565%0.65279%0.79SS**  cis-161.3-178.3-6.9-94.9-29.3000109
520L33.6Very low32.1Very low174 Ų174153.1 Ų153.191%0.91178%0.783SS**  trans98.2135.9161.5-65153.1000120.9
521H29.6Very low32.1Very low187 Ų187150.8 Ų150.887%0.86678%0.78SS**  trans-131152178.9-86.5-50.8000111
522S33.4Very low32.2Very low108 Ų108154.3 Ų154.376%0.75579%0.788SS**  trans-167.1109.3148.3-144.70000108.3
523I33.3Very low32Very low140 Ų140152.8 Ų152.872%0.71879%0.79SS**  86.1114.973.6-69.4165.7000114
524R32.5Very low31.9Very low229 Ų229151.6 Ų151.686%0.86479%0.79SS**  trans34.7150.7141.9-63.2-173.5171.3171.5-3.8121.2
525T32.5Very low32Very low123 Ų123150.3 Ų150.376%0.75579%0.788SS**  cis-163.6166.3-4.515.90000109.2
526P34.4Very low31.6Very low126 Ų126149.5 Ų149.582%0.81878%0.784SS**  trans-103.1163.2-171.639.4-34.8000116
527S32.8Very low31.8Very low114 Ų114147.5 Ų147.580%0.79778%0.781SS**  trans-149.3153.2160.759.80000112.6
528T30Very low31.5Very low118 Ų118149.3 Ų149.372%0.72478%0.778SS**  trans-40.3163.2170.744.80000116.3
529E30.1Very low31.3Very low152 Ų152146.8 Ų146.871%0.7178%0.78SS**  cis-166.7-176.622.4-139.7159.1-143.600115.9
530Y30.8Very low31.1Very low193 Ų193149.6 Ų149.676%0.75778%0.783SS**  trans62.386.1157.6-83-75.6000123.2
531S28.2Very low31Very low104 Ų104147.9 Ų147.973%0.72777%0.772SS**  trans31.9122.7132.867.80000122.9
532K33.2Very low30.9Very low206 Ų206147.9 Ų147.990%0.89677%0.772SS**  -151.1150.5129.2-118.9168.8-173.9172.30111.2T534K532-T534 PolarHBondContact O-N 3.34Å
533S26.3Very low30.7Very low122 Ų122150.8 Ų150.885%0.85378%0.778SS**  trans-72.1122-169.452.10000113.5
534T31.9Very low30.7Very low127 Ų127149 Ų14978%0.77978%0.779SS**  trans-134.5130.1168.9-62.80000109.4K532 H536K532-T534 PolarHBondContact O-N 3.34Å; T534-H536 PolarHBondContact O-N 2.98Å; T534-H536 VanDerWaalsContact O-N 3.11Å
535V32.6Very low30.5Very low132 Ų132148.5 Ų148.580%0.878%0.782SS**  trans-72104.1178.3177.80000109.3F537V535-F537 PolarHBondContact O-N 2.93Å
536H26.8Very low30.5Very low150 Ų150147.8 Ų147.869%0.69478%0.783SS**  trans-86.899.5-173.4-157.5-36.8000111.1T534 Q538T534-H536 PolarHBondContact O-N 2.98Å; T534-H536 VanDerWaalsContact O-N 3.11Å; H536-Q538 PolarHBondContact O-N 2.83Å; H536-Q538 VanDerWaalsContact O-N 3.17Å
537F32.3Very low30.2Very low186 Ų186147.9 Ų147.982%0.81679%0.786SS**  trans-62.9115.6159.4-84.9-88.1000108.2V535V535-F537 PolarHBondContact O-N 2.93Å
538Q29.7Very low30.2Very low145 Ų145151 Ų15168%0.67879%0.788SS**  trans-89.7125.9177.7-73.8-175.4-47.800110.8H536 Y540H536-Q538 PolarHBondContact O-N 2.83Å; H536-Q538 VanDerWaalsContact O-N 3.17Å; Q538-Y540 VanDerWaalsContact C-N 3.35Å; Q538-Y540 PolarHBondContact O-N 3.03Å; Q538-Y540 VanDerWaalsContact O-N 3.1Å
539P29.6Very low30.2Very low125 Ų125155 Ų15581%0.81280%0.795SS**  trans-8180.6166.932.8-32.7000110.5
540Y29.3Very low30.4Very low180 Ų180154.9 Ų154.971%0.70680%0.799SS**  trans-94.9141162.7-107.1-117.2000109Q538Q538-Y540 VanDerWaalsContact C-N 3.35Å; Q538-Y540 PolarHBondContact O-N 3.03Å; Q538-Y540 VanDerWaalsContact O-N 3.1Å
541M31.6Very low30.5Very low138 Ų138151 Ų15168%0.6880%0.798SS**  cis-151.1159.4-4.7-156.1-179.5-171.700109.1L543M541-L543 PolarHBondContact O-N 3.29Å
542Q27.3Very low30.9Very low188 Ų188154.3 Ų154.388%0.87981%0.805SS**  trans-72112.9169.9-70.3176.3-27.500110.1S544Q542-S544 PolarHBondContact O-N 3.29Å
543L30.1Very low31.1Very low169 Ų169152.1 Ų152.189%0.88580%0.798SS**  trans-75.1114.1163.8-103.674.8000109.5M541M541-L543 PolarHBondContact O-N 3.29Å
544S31.9Very low31.9Very low103 Ų103148.5 Ų148.572%0.7277%0.773SS**  trans-65.6149168.3480000111.4Q542 S546Q542-S544 PolarHBondContact O-N 3.29Å; S544-S546 PolarHBondContact O-N 3.43Å; S544-S546 VanDerWaalsContact O-N 3.1Å
545K29.3Very low32.4Very low217 Ų217150.7 Ų150.794%0.94378%0.775SS**  trans-69.8103174.9-70.5179.7177.4177.40111.4
546S32.1Very low33Very low109 Ų109150.5 Ų150.576%0.76277%0.769SS**  trans-102.1126150480000108.5S544 E548S544-S546 PolarHBondContact O-N 3.43Å; S544-S546 VanDerWaalsContact O-N 3.1Å; S546-E548 PolarHBondContact O-N 3.25Å
547S28.5Very low34.2Very low128 Ų128147.7 Ų147.790%0.89576%0.759SS**  trans-95.180.8-176.8-169.60000111
548E32Very low35Very low179 Ų179144.9 Ų144.984%0.83675%0.752SS**  trans-102.2128.2171.3-165.9154-133.200110.7S546 L550S546-E548 PolarHBondContact O-N 3.25Å; E548-L550 PolarHBondContact O-N 2.87Å
549K31.7Very low35.7Very low201 Ų201144.6 Ų144.687%0.87475%0.749SS**  trans-102.175.3-160.2-168.3-178.6-178.6-1780110.9
550L34.3Very low36.1Very low151 Ų151140.4 Ų140.479%0.79172%0.722SS**  trans-58.5146.6173.9-74.4171.4000111.2E548E548-L550 PolarHBondContact O-N 2.87Å
551P32.7Very low36.6Very low112 Ų112137 Ų13773%0.72772%0.722SS**  trans-64.5148.9-178.3-20.133.3000112.4E553P551-E553 PolarHBondContact O-N 2.98Å
552I35.2Very low37.4Very low172 Ų172138.4 Ų138.488%0.88273%0.727SS**  trans-76.4105.9168.1-61171.2000107
553E38.4Very low38.5Very low160 Ų160133.8 Ų133.875%0.74871%0.712SS**  trans-59143.8169.9-64.9-176.314900110.1P551P551-E553 PolarHBondContact O-N 2.98Å
554S43.6Very low39.3Very low47 Ų47129.5 Ų129.533%0.32969%0.689SS.*  trans-90158-171.683.60000111.9N556 D557S554-N556 PolarHBondContact O-N 3.22Å; S554-N556 PolarHBondContact OG-N 3.4Å; S554-N556 PolarHBondContact OG-ND2 3.49Å; S554-D557 WeakPolarHBondContact CA-OD2 3.34Å; S554-D557 VanDerWaalsContact CB-OD2 3.25Å; S554-D557 WeakPolarHBondContact CB-OD2 3.26Å; S554-D557 PolarHBondContact N-OD2 2.97Å; S554-D557 PolarHBondContact O-N 3.48Å; S554-D557 PolarHBondContact OG-OD2 2.85Å
555E40.6Very low39.9Very low173 Ų173128.7 Ų128.781%0.80868%0.684SS**THydrogen-bonded Turntrans-59.6-14.4176.5-164.5169.7-161.100113.1F559E555-F559 WeakPolarHBondContact O-CD2 3.34Å
556N46.9Very low40.5Very low127 Ų127123.3 Ų123.368%0.67967%0.671SS**THydrogen-bonded Turntrans-80.3-29.1175.2-48.7-72.2000113.2S554 L558 F559S554-N556 PolarHBondContact O-N 3.22Å; S554-N556 PolarHBondContact OG-N 3.4Å; S554-N556 PolarHBondContact OG-ND2 3.49Å; N556-L558 VanDerWaalsContact C-N 3.32Å; N556-L558 PolarHBondContact O-N 3.47Å; N556-F559 PolarHBondContact O-N 2.94Å; N556-F559 VanDerWaalsContact O-N 3.12Å
557D50.8Low40.9Very low91 Ų91125 Ų12549%0.48766%0.661SS.*G310 helixtrans-72.3-29.6-171.5-59.7-63.4000111.5S554 F559 S560S554-D557 WeakPolarHBondContact CA-OD2 3.34Å; S554-D557 VanDerWaalsContact CB-OD2 3.25Å; S554-D557 WeakPolarHBondContact CB-OD2 3.26Å; S554-D557 PolarHBondContact N-OD2 2.97Å; S554-D557 PolarHBondContact O-N 3.48Å; S554-D557 PolarHBondContact OG-OD2 2.85Å; D557-F559 PolarHBondContact O-N 3.31Å; D557-S560 PolarHBondContact O-N 3.49Å
558L50.4Low41.4Very low127 Ų127125.9 Ų125.967%0.66565%0.654SS**G310 helixtrans-62.4-19.9170.9-109.972.7000114.2N556N556-L558 VanDerWaalsContact C-N 3.32Å; N556-L558 PolarHBondContact O-N 3.47Å
559F43.2Very low41.5Very low140 Ų140126.7 Ų126.761%0.61466%0.655SS**G310 helixtrans-116.321.9-175.8-64.9-75.4000113.3E555 N556 D557E555-F559 WeakPolarHBondContact O-CD2 3.34Å; N556-F559 PolarHBondContact O-N 2.94Å; N556-F559 VanDerWaalsContact O-N 3.12Å; D557-F559 PolarHBondContact O-N 3.31Å
560S37.9Very low42Very low36 Ų36123 Ų12325%0.25264%0.644SS.*  trans-55.5132.6171.8178.90000111.5D557 Q562 T563D557-S560 PolarHBondContact O-N 3.49Å; S560-Q562 PolarHBondContact O-N 3.38Å; S560-Q562 PolarHBondContact OG-N 3.2Å; S560-T563 PolarHBondContact O-N 3.22Å; S560-T563 VanDerWaalsContact O-N 3.12Å; S560-T563 PolarHBondContact O-OG1 3.39Å
561P39.6Very low42.4Very low108 Ų108121.5 Ų121.570%0.70164%0.637SS**THydrogen-bonded Turntrans-56.4-18.6173.2-2735.7000114.1
562Q48.8Very low42.9Very low168 Ų168122.1 Ų122.179%0.78563%0.632SS**THydrogen-bonded Turntrans-79.7-30.2-179.3-59-179.13.600112.8S560S560-Q562 PolarHBondContact O-N 3.38Å; S560-Q562 PolarHBondContact OG-N 3.2Å
563T49.5Very low43.4Very low91 Ų91119.1 Ų119.156%0.55862%0.617SS**THydrogen-bonded Turntrans-79.4-21.7174.449.30000112.6S560S560-T563 PolarHBondContact O-N 3.22Å; S560-T563 VanDerWaalsContact O-N 3.12Å; S560-T563 PolarHBondContact O-OG1 3.39Å
564L47.2Very low43.7Very low79 Ų79116.6 Ų116.641%0.41461%0.609SS.*SBendtrans-80.1-12.7175.2-69166.1000113.9P566 W567 L568L564-P566 VanDerWaalsContact C-CD 3.44Å; L564-W567 PolarHBondContact O-N 3.4Å; L564-L568 HydrophobicContact CB-CD1 4.27Å
565S45.3Very low43.7Very low87 Ų87121.2 Ų121.261%0.60863%0.627SS**THydrogen-bonded Turntrans-57.5-29.3-171.9-170.30000116.7
566P42.2Very low43.9Very low103 Ų103117.5 Ų117.567%0.66961%0.614SS**THydrogen-bonded Turntrans-83.8-8.6175.7-1431.2000114.9L564L564-P566 VanDerWaalsContact C-CD 3.44Å
567W40.5Very low43.7Very low146 Ų146116.8 Ų116.855%0.55361%0.609SS**SBendtrans-112.14.9-169.9-95.174.9000114.2V186 F243 L564V186-W567 HydrophobicContact CB-CZ2 4.31Å; V186-W567 HydrophobicContact CG1-CZ2 4.48Å; F243-W567 HydrophobicContact CZ-CH2 4.45Å; F243-W567 AromaticContact CZ-CZ3 3.99Å; F243-W567 HydrophobicContact CZ-CZ3 3.99Å; L564-W567 PolarHBondContact O-N 3.4Å
568L37.9Very low43.1Very low145 Ų145118.9 Ų118.976%0.75962%0.62SS**  trans-123.329.6-179.8-79.3165.7000112.4L564L564-L568 HydrophobicContact CB-CD1 4.27Å
569K35Very low42.5Very low197 Ų197118.2 Ų118.286%0.85762%0.615SS**  trans-126.90167.3-88-160.1169.5-156.50109.8N25N25-K569 PolarHBondContact OD1-NZ 2.89Å

Retrieved 569 of 569 residues in 370.9 ms (Link to these results)

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