A0A075B778_HUMAN Loading...

ATP binding cassette subfamily A member 5

AlphaFold DB , UniProt , Accession A0A075B778, Species HUMAN (Homo sapiens, Human), Gene ABCA5, Length 250 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
1M35.8Very low57.7Low245 Ų245145.9 Ų145.9100%1.20778%0.784SS**  091.90-161.6174.1-169.600107.1
2S38Very low59.7Low120 Ų120148.3 Ų148.384%0.83977%0.774SS**  trans-80.6114-17444.20000110.1A4S2-A4 PolarHBondContact O-N 3.2Å
3T40.3Very low61.5Low131 Ų131144.9 Ų144.980%0.80475%0.752SS**  trans-69.2110.917438.40000109.6I5T3-I5 PolarHBondContact O-N 2.68Å
4A44.2Very low63.3Low97 Ų97138.7 Ų138.780%0.80272%0.724SS**  trans-67.7112.3173.300000109.5S2 R6S2-A4 PolarHBondContact O-N 3.2Å; A4-R6 PolarHBondContact O-N 3.33Å; A4-R6 VanDerWaalsContact O-N 3.1Å
5I53.5Low64.8Low161 Ų161141.3 Ų141.383%0.82672%0.72SS**  trans-71.4103.4172.3-61.9168.7000106.9T3 E7T3-I5 PolarHBondContact O-N 2.68Å; I5-E7 PolarHBondContact O-N 2.89Å
6R56.3Low66.2Low210 Ų210138.1 Ų138.179%0.79271%0.71SS**  trans-75.1111.1177.8-173.1176.3164.3-173.7-0.8108.5A4 V8A4-R6 PolarHBondContact O-N 3.33Å; A4-R6 VanDerWaalsContact O-N 3.1Å; R6-V8 PolarHBondContact O-N 3.46Å
7E60.5Low67.2Low188 Ų188135 Ų13588%0.87969%0.694SS**  trans-58.4113.5178.6-70.5-161.8164.100110.5I5 G9I5-E7 PolarHBondContact O-N 2.89Å; E7-G9 PolarHBondContact O-N 2.83Å
8V64.8Low68.2Low93 Ų93134.2 Ų134.256%0.56469%0.691SS**  trans-78.9117.5177.7-178.40000107.2R6 V10 R12 Q13R6-V8 PolarHBondContact O-N 3.46Å; V8-V10 PolarHBondContact O-N 3.07Å; V8-R12 HydrophobicContact CG1-CB 4.35Å; V8-Q13 HydrophobicContact CG1-CB 4.43Å
9G79.7Confident69.1Low47 Ų47132.7 Ų132.749%0.48568%0.684SS.*  trans-55133.1178.300000111.9E7 W11 R12 Q13E7-G9 PolarHBondContact O-N 2.83Å; G9-W11 PolarHBondContact O-N 3.44Å; G9-W11 VanDerWaalsContact O-N 3.08Å; G9-R12 WeakPolarHBondContact O-CA 3.3Å; G9-R12 WeakPolarHBondContact O-CB 3.24Å; G9-R12 PolarHBondContact O-N 3.29Å; G9-Q13 PolarHBondContact O-N 3.21Å
10V81.5Confident69.8Low108 Ų108129.4 Ų129.466%0.65566%0.663SS**Hα-helixtrans-48.9-40.9-174.5179.50000112.2V8 R12 Q13 T14V8-V10 PolarHBondContact O-N 3.07Å; V10-R12 VanDerWaalsContact C-N 3.35Å; V10-R12 PolarHBondContact O-N 2.93Å; V10-Q13 WeakPolarHBondContact O-CB 3.17Å; V10-Q13 PolarHBondContact O-N 3.42Å; V10-T14 HydrophobicContact CG1-CG2 4.26Å; V10-T14 WeakPolarHBondContact O-CG2 3.4Å; V10-T14 PolarHBondContact O-N 2.92Å; V10-T14 PolarHBondContact O-OG1 3.37Å
11W80.6Confident70.4Confident205 Ų205127.3 Ų127.378%0.77765%0.654SS**Hα-helixtrans-61.5-38177.3-176.5-109.3000114.1G9 Q13 T14 R15G9-W11 PolarHBondContact O-N 3.44Å; G9-W11 VanDerWaalsContact O-N 3.08Å; W11-Q13 VanDerWaalsContact C-N 3.34Å; W11-T14 WeakPolarHBondContact CA-OG1 3.22Å; W11-T14 PolarHBondContact O-OG1 2.68Å; W11-R15 WeakPolarHBondContact O-CB 3.46Å; W11-R15 PolarHBondContact O-N 3.46Å
12R81Confident72.5Confident175 Ų175123.1 Ų123.166%0.6663%0.626SS**Hα-helixtrans-72.7-34.4178.6-157.1173.9-174.2178.11.2110.4V8 G9 V10 T16V8-R12 HydrophobicContact CG1-CB 4.35Å; G9-R12 WeakPolarHBondContact O-CA 3.3Å; G9-R12 WeakPolarHBondContact O-CB 3.24Å; G9-R12 PolarHBondContact O-N 3.29Å; V10-R12 VanDerWaalsContact C-N 3.35Å; V10-R12 PolarHBondContact O-N 2.93Å; R12-T16 WeakPolarHBondContact O-CB 3.35Å; R12-T16 PolarHBondContact O-N 3.26Å; R12-T16 VanDerWaalsContact O-N 3.15Å; R12-T16 PolarHBondContact O-OG1 3.26Å
13Q83.6Confident74.5Confident104 Ų104122.2 Ų122.249%0.48661%0.611SS.*Hα-helixtrans-69.1-46.9174.7-167.61786.200111.8V8 G9 V10 W11 T16 L17V8-Q13 HydrophobicContact CG1-CB 4.43Å; G9-Q13 PolarHBondContact O-N 3.21Å; V10-Q13 WeakPolarHBondContact O-CB 3.17Å; V10-Q13 PolarHBondContact O-N 3.42Å; W11-Q13 VanDerWaalsContact C-N 3.34Å; Q13-T16 PolarHBondContact O-N 2.91Å; Q13-L17 HydrophobicContact CG-CD1 4.2Å; Q13-L17 WeakPolarHBondContact O-CB 2.9Å; Q13-L17 WeakPolarHBondContact O-CG 3.49Å; Q13-L17 PolarHBondContact O-N 3.39Å
14T86.6Confident76.3Confident58 Ų58118.7 Ų118.736%0.35659%0.587SS.*Hα-helixtrans-63.3-43.8178.154.10000111.8V10 W11 T16 L17 L18V10-T14 HydrophobicContact CG1-CG2 4.26Å; V10-T14 WeakPolarHBondContact O-CG2 3.4Å; V10-T14 PolarHBondContact O-N 2.92Å; V10-T14 PolarHBondContact O-OG1 3.37Å; W11-T14 WeakPolarHBondContact CA-OG1 3.22Å; W11-T14 PolarHBondContact O-OG1 2.68Å; T14-T16 VanDerWaalsContact C-N 3.31Å; T14-T16 PolarHBondContact O-N 3.36Å; T14-L17 PolarHBondContact O-N 2.88Å; T14-L18 WeakPolarHBondContact O-CG 3.35Å; T14-L18 PolarHBondContact O-N 3.34Å
15R86.3Confident77.8Confident178 Ų178118.2 Ų118.267%0.67257%0.567SS**Hα-helixtrans-60.1-41.8175.4-175.1177.9176.1-174.2-0.3112.1W11 L18 L19W11-R15 WeakPolarHBondContact O-CB 3.46Å; W11-R15 PolarHBondContact O-N 3.46Å; R15-L18 PolarHBondContact O-N 2.78Å; R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 PolarHBondContact O-N 3.39Å
16T86.2Confident78.9Confident90 Ų90113.8 Ų113.855%0.55255%0.549SS*.Hα-helixtrans-67.6-40178.9-54.10000111.2R12 Q13 T14 L19 K20R12-T16 WeakPolarHBondContact O-CB 3.35Å; R12-T16 PolarHBondContact O-N 3.26Å; R12-T16 VanDerWaalsContact O-N 3.15Å; R12-T16 PolarHBondContact O-OG1 3.26Å; Q13-T16 PolarHBondContact O-N 2.91Å; T14-T16 VanDerWaalsContact C-N 3.31Å; T14-T16 PolarHBondContact O-N 3.36Å; T16-L19 PolarHBondContact O-N 3.3Å; T16-K20 WeakPolarHBondContact O-CB 3.29Å; T16-K20 PolarHBondContact O-N 3.29Å
17L84Confident80Confident85 Ų85114.7 Ų114.745%0.44555%0.553SS.*Hα-helixtrans-64.5-43.1175.1-76.1166.5000112.4Q13 T14 K20 N21Q13-L17 HydrophobicContact CG-CD1 4.2Å; Q13-L17 WeakPolarHBondContact O-CB 2.9Å; Q13-L17 WeakPolarHBondContact O-CG 3.49Å; Q13-L17 PolarHBondContact O-N 3.39Å; T14-L17 PolarHBondContact O-N 2.88Å; L17-K20 PolarHBondContact O-N 3.41Å; L17-N21 WeakPolarHBondContact O-CB 3.41Å; L17-N21 VanDerWaalsContact O-CG 3.32Å; L17-N21 PolarHBondContact O-N 3.11Å
18L84.8Confident80.7Confident121 Ų121108 Ų10863%0.63453%0.525SS*.Hα-helixtrans-62.7-43.2175.7-72.5173000111.6T14 R15 N21 Y22T14-L18 WeakPolarHBondContact O-CG 3.35Å; T14-L18 PolarHBondContact O-N 3.34Å; R15-L18 PolarHBondContact O-N 2.78Å; L18-N21 PolarHBondContact O-N 3.15Å; L18-Y22 WeakPolarHBondContact O-CB 3.46Å; L18-Y22 PolarHBondContact O-N 3.28Å
19L85.3Confident81Confident106 Ų106111 Ų11156%0.55553%0.53SS*.Hα-helixtrans-62.8-43176-164.486.8000111.4R15 T16 Y22 L23R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 PolarHBondContact O-N 3.39Å; T16-L19 PolarHBondContact O-N 3.3Å; L19-Y22 PolarHBondContact O-N 2.84Å; L19-L23 HydrophobicContact CD2-CD1 4.37Å; L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.87Å
20K83.4Confident80.7Confident65 Ų65117.9 Ų117.928%0.28355%0.547SS..Hα-helixtrans-58.7-50.1175.1-175.2-171.1-179.6-169.80110.7T16 L17 Y22 L23 I24 E243 I248T16-K20 WeakPolarHBondContact O-CB 3.29Å; T16-K20 PolarHBondContact O-N 3.29Å; L17-K20 PolarHBondContact O-N 3.41Å; K20-Y22 VanDerWaalsContact C-N 3.33Å; K20-Y22 PolarHBondContact O-N 3.46Å; K20-L23 PolarHBondContact O-N 3.43Å; K20-I24 HydrophobicContact CG-CD1 3.95Å; K20-I24 VanDerWaalsContact O-CG1 3.29Å; K20-I24 WeakPolarHBondContact O-CG1 3.38Å; K20-I24 PolarHBondContact O-N 2.66Å; K20-E243 IonicContact NZ-OE1 2.73Å; K20-E243 PolarHBondContact NZ-OE1 3.49Å; K20-I248 PolarHBondContact NZ-O 3.2Å
21N81.3Confident80.3Confident87 Ų87114.1 Ų114.147%0.46553%0.525SS..Hα-helixtrans-62.9-39.6180-72.3-13.9000111.9L17 L18 K25L17-N21 WeakPolarHBondContact O-CB 3.41Å; L17-N21 VanDerWaalsContact O-CG 3.32Å; L17-N21 PolarHBondContact O-N 3.11Å; L18-N21 PolarHBondContact O-N 3.15Å; N21-K25 WeakPolarHBondContact O-CB 3.12Å; N21-K25 PolarHBondContact O-N 2.92Å
22Y80.9Confident79.9Confident156 Ų156105 Ų10561%0.61249%0.493SS*.Hα-helixtrans-62.9-48.2174.7178.7-98.8000112.2L18 L19 K20 I24 K25 C26L18-Y22 WeakPolarHBondContact O-CB 3.46Å; L18-Y22 PolarHBondContact O-N 3.28Å; L19-Y22 PolarHBondContact O-N 2.84Å; K20-Y22 VanDerWaalsContact C-N 3.33Å; K20-Y22 PolarHBondContact O-N 3.46Å; Y22-I24 PolarHBondContact O-N 3.45Å; Y22-K25 WeakPolarHBondContact O-CB 3.39Å; Y22-K25 PolarHBondContact O-N 2.89Å; Y22-K25 VanDerWaalsContact O-N 3.12Å; Y22-C26 PolarHBondContact O-N 3.39Å
23L80.4Confident79.9Confident102 Ų102100.7 Ų100.753%0.53449%0.485SS..Hα-helixtrans-63.2-39.4179.3-71.6171.4000112.5L19 K20 K25 C26 R27L19-L23 HydrophobicContact CD2-CD1 4.37Å; L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.87Å; K20-L23 PolarHBondContact O-N 3.43Å; L23-K25 VanDerWaalsContact C-N 3.31Å; L23-C26 PolarHBondContact O-N 3.49Å; L23-R27 PolarHBondContact O-N 3Å
24I78.2Confident79.7Confident57 Ų5799.8 Ų99.829%0.29248%0.481SS..Hα-helixtrans-60.2-45.5173.4-69.8167.8000109.8K20 Y22 C26 R27 T28K20-I24 HydrophobicContact CG-CD1 3.95Å; K20-I24 VanDerWaalsContact O-CG1 3.29Å; K20-I24 WeakPolarHBondContact O-CG1 3.38Å; K20-I24 PolarHBondContact O-N 2.66Å; Y22-I24 PolarHBondContact O-N 3.45Å; I24-C26 PolarHBondContact O-N 3.3Å; I24-R27 PolarHBondContact O-N 3.39Å; I24-R27 VanDerWaalsContact O-N 3.11Å; I24-T28 PolarHBondContact O-N 3.33Å; I24-T28 PolarHBondContact O-OG1 3.38Å; I24-T28 VanDerWaalsContact O-OG1 3.1Å
25K75.8Confident79.5Confident87 Ų8798.2 Ų98.238%0.37847%0.47SS..Hα-helixtrans-65-38.2179.9-152.1154.7-172.7161.20112.3N21 Y22 L23 R27 T28 S32 E35N21-K25 WeakPolarHBondContact O-CB 3.12Å; N21-K25 PolarHBondContact O-N 2.92Å; Y22-K25 WeakPolarHBondContact O-CB 3.39Å; Y22-K25 PolarHBondContact O-N 2.89Å; Y22-K25 VanDerWaalsContact O-N 3.12Å; L23-K25 VanDerWaalsContact C-N 3.31Å; K25-R27 VanDerWaalsContact C-N 3.34Å; K25-R27 PolarHBondContact O-N 2.83Å; K25-T28 CarbonylContact O-C 3.57Å; K25-T28 PolarHBondContact O-N 3.12Å; K25-T28 PolarHBondContact O-OG1 3.09Å; K25-S32 WeakPolarHBondContact CG-OG 3.4Å; K25-S32 PolarHBondContact O-OG 2.9Å; K25-S32 VanDerWaalsContact O-OG 3.14Å; K25-E35 WeakPolarHBondContact CE-OE2 3.42Å; K25-E35 IonicContact NZ-OE1 3.97Å; K25-E35 PolarHBondContact NZ-OE1 3.12Å; K25-E35 IonicContact NZ-OE2 3.68Å; K25-E35 PolarHBondContact NZ-OE2 3.2Å
26C75.6Confident79.4Confident68 Ų6894.6 Ų94.646%0.45946%0.463SS..Hα-helixtrans-62.9-37171.4-73.50000113Y22 L23 I24Y22-C26 PolarHBondContact O-N 3.39Å; L23-C26 PolarHBondContact O-N 3.49Å; I24-C26 PolarHBondContact O-N 3.3Å
27R79.2Confident79.4Confident229 Ų22995.4 Ų95.486%0.86446%0.463SS*.Hα-helixtrans-74.1-28.9179.1-165.6171.8-179.2160.6-0.1112.5L23 I24 K25 K29L23-R27 PolarHBondContact O-N 3Å; I24-R27 PolarHBondContact O-N 3.39Å; I24-R27 VanDerWaalsContact O-N 3.11Å; K25-R27 VanDerWaalsContact C-N 3.34Å; K25-R27 PolarHBondContact O-N 2.83Å; R27-K29 PolarHBondContact O-N 3.29Å
28T75.3Confident79.5Confident48 Ų4895 Ų9529%0.29446%0.458SS..THydrogen-bonded Turntrans-96.741.8176.157.10000113.1I24 K25 K30 S31 S32I24-T28 PolarHBondContact O-N 3.33Å; I24-T28 PolarHBondContact O-OG1 3.38Å; I24-T28 VanDerWaalsContact O-OG1 3.1Å; K25-T28 CarbonylContact O-C 3.57Å; K25-T28 PolarHBondContact O-N 3.12Å; K25-T28 PolarHBondContact O-OG1 3.09Å; T28-K30 VanDerWaalsContact C-N 3.26Å; T28-K30 PolarHBondContact O-N 3.3Å; T28-S31 PolarHBondContact O-N 3.25Å; T28-S32 PolarHBondContact O-N 3.13Å; T28-S32 PolarHBondContact O-OG 3.35Å
29K70.8Confident79.5Confident155 Ų15590 Ų9067%0.67443%0.433SS*.Hα-helixtrans-49.6-38.9-172.2-165.7173.7-178.7179.40114.6R27 S32 V33R27-K29 PolarHBondContact O-N 3.29Å; K29-S32 PolarHBondContact O-N 3.24Å; K29-V33 VanDerWaalsContact O-CG2 3.23Å; K29-V33 WeakPolarHBondContact O-CG2 3.5Å; K29-V33 PolarHBondContact O-N 3.06Å
30K74.6Confident79.6Confident192 Ų19290 Ų9084%0.83543%0.433SS*.Hα-helixtrans-64-45.3177.4-68.5-173.6179.5-177.40112.7T28 Q34T28-K30 VanDerWaalsContact C-N 3.26Å; T28-K30 PolarHBondContact O-N 3.3Å; K30-Q34 WeakPolarHBondContact O-CB 3.46Å; K30-Q34 PolarHBondContact O-N 3.15Å
31S72.3Confident79.9Confident28 Ų2891.9 Ų91.920%0.19644%0.441CS..Hα-helixtrans-68-38.4178.4-165.60000111.5T28 Q34 E35T28-S31 PolarHBondContact O-N 3.25Å; S31-Q34 PolarHBondContact O-N 3.15Å; S31-E35 WeakPolarHBondContact O-CB 3.4Å; S31-E35 PolarHBondContact O-N 3.42Å
32S73.8Confident80.2Confident15 Ų1590 Ų9011%0.10543%0.429CS..Hα-helixtrans-72.2-31.9-179.4-53.10000113.3K25 T28 K29 I36K25-S32 WeakPolarHBondContact CG-OG 3.4Å; K25-S32 PolarHBondContact O-OG 2.9Å; K25-S32 VanDerWaalsContact O-OG 3.14Å; T28-S32 PolarHBondContact O-N 3.13Å; T28-S32 PolarHBondContact O-OG 3.35Å; K29-S32 PolarHBondContact O-N 3.24Å; S32-I36 PolarHBondContact O-N 3.25Å
33V80.1Confident80.4Confident83 Ų8386.9 Ų86.950%0.50342%0.423SS..Hα-helixtrans-67.1-43.7170.8169.60000110.3K29 E35 I36 L37K29-V33 VanDerWaalsContact O-CG2 3.23Å; K29-V33 WeakPolarHBondContact O-CG2 3.5Å; K29-V33 PolarHBondContact O-N 3.06Å; V33-E35 PolarHBondContact O-N 2.84Å; V33-I36 PolarHBondContact O-N 2.9Å; V33-L37 VanDerWaalsContact O-CB 3.25Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 PolarHBondContact O-N 2.85Å
34Q79.9Confident80.9Confident86 Ų8687.7 Ų87.740%0.40242%0.422SS..Hα-helixtrans-66.3-36.2179.8-168.8175.42.800112.6K30 S31 I36 L37 F38 F235K30-Q34 WeakPolarHBondContact O-CB 3.46Å; K30-Q34 PolarHBondContact O-N 3.15Å; S31-Q34 PolarHBondContact O-N 3.15Å; Q34-I36 PolarHBondContact O-N 3.3Å; Q34-L37 PolarHBondContact O-N 2.68Å; Q34-F38 VanDerWaalsContact CD-CE2 3.49Å; Q34-F38 HydrophobicContact CG-CD2 3.48Å; Q34-F38 VanDerWaalsContact CG-CD2 3.48Å; Q34-F38 HydrophobicContact CG-CE2 3.16Å; Q34-F38 HydrophobicContact CG-CG 4.39Å; Q34-F38 HydrophobicContact CG-CZ 3.79Å; Q34-F38 WeakPolarHBondContact O-CD2 3.33Å; Q34-F38 PolarHBondContact O-N 3.1Å; Q34-F38 VanDerWaalsContact O-N 3.1Å; Q34-F235 HydrophobicContact CB-CZ 4.24Å; Q34-F235 HydrophobicContact CG-CZ 3.88Å
35E82.5Confident81.3Confident25 Ų2590.2 Ų90.212%0.11743%0.428CS..Hα-helixtrans-59.7-31.7173.7-172.7-171.2162.100112.9K25 S31 V33 P39 F232 F235K25-E35 WeakPolarHBondContact CE-OE2 3.42Å; K25-E35 IonicContact NZ-OE1 3.97Å; K25-E35 PolarHBondContact NZ-OE1 3.12Å; K25-E35 IonicContact NZ-OE2 3.68Å; K25-E35 PolarHBondContact NZ-OE2 3.2Å; S31-E35 WeakPolarHBondContact O-CB 3.4Å; S31-E35 PolarHBondContact O-N 3.42Å; V33-E35 PolarHBondContact O-N 2.84Å; E35-P39 WeakPolarHBondContact O-CD 3.44Å; E35-P39 WeakPolarHBondContact O-CG 3.23Å; E35-F232 HydrophobicContact CG-CD1 4.32Å; E35-F235 HydrophobicContact CB-CD2 3.9Å; E35-F235 HydrophobicContact CB-CE2 4.25Å; E35-F235 HydrophobicContact CB-CG 4.25Å; E35-F235 HydrophobicContact CG-CB 4.23Å; E35-F235 HydrophobicContact CG-CD2 3.93Å; E35-F235 HydrophobicContact CG-CG 4.24Å
36I82.8Confident81.8Confident102 Ų10287.5 Ų87.552%0.52342%0.417SS..Hα-helixtrans-92-40.6179.1-63.4168.8000110.9S32 V33 Q34 P39 L40S32-I36 PolarHBondContact O-N 3.25Å; V33-I36 PolarHBondContact O-N 2.9Å; Q34-I36 PolarHBondContact O-N 3.3Å; I36-P39 WeakPolarHBondContact O-CD 3.41Å; I36-L40 HydrophobicContact CG2-CD1 3.73Å; I36-L40 HydrophobicContact CG2-CG 4.42Å; I36-L40 VanDerWaalsContact O-CG 3.29Å; I36-L40 WeakPolarHBondContact O-CG 3.38Å; I36-L40 PolarHBondContact O-N 3.38Å
37L86.8Confident82.3Confident106 Ų10688.2 Ų88.256%0.55542%0.416SS*.Hα-helixtrans-66.8-39.5-175.2-174.165.6000112.2V33 Q34 L40 F41V33-L37 VanDerWaalsContact O-CB 3.25Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 PolarHBondContact O-N 2.85Å; Q34-L37 PolarHBondContact O-N 2.68Å; L37-L40 PolarHBondContact O-N 2.95Å; L37-F41 VanDerWaalsContact O-CB 3.28Å; L37-F41 WeakPolarHBondContact O-CB 3.3Å; L37-F41 PolarHBondContact O-N 3.29Å
38F86Confident82.6Confident77 Ų7780.3 Ų80.334%0.33839%0.39SS..Hα-helixtrans-64.5-51.9-179.8-77.9-43.2000113.3Q34 L40 F41 F42 P231 F235Q34-F38 VanDerWaalsContact CD-CE2 3.49Å; Q34-F38 HydrophobicContact CG-CD2 3.48Å; Q34-F38 VanDerWaalsContact CG-CD2 3.48Å; Q34-F38 HydrophobicContact CG-CE2 3.16Å; Q34-F38 HydrophobicContact CG-CG 4.39Å; Q34-F38 HydrophobicContact CG-CZ 3.79Å; Q34-F38 WeakPolarHBondContact O-CD2 3.33Å; Q34-F38 PolarHBondContact O-N 3.1Å; Q34-F38 VanDerWaalsContact O-N 3.1Å; F38-L40 VanDerWaalsContact C-N 3.27Å; F38-L40 PolarHBondContact O-N 3.34Å; F38-F41 WeakPolarHBondContact O-CB 3.39Å; F38-F41 PolarHBondContact O-N 3.21Å; F38-F41 VanDerWaalsContact O-N 3.15Å; F38-F42 HydrophobicContact CB-CD2 4.4Å; F38-F42 HydrophobicContact CB-CE2 4.24Å; F38-F42 WeakPolarHBondContact O-CD2 3.48Å; F38-F42 PolarHBondContact O-N 2.87Å; F38-P231 HydrophobicContact CB-CB 4.48Å; F38-P231 HydrophobicContact CB-CG 4.36Å; F38-F235 HydrophobicContact CD2-CE2 4.08Å; F38-F235 HydrophobicContact CD2-CZ 4.23Å; F38-F235 HydrophobicContact CE2-CZ 4.3Å
39P84.7Confident83Confident17 Ų1780.3 Ų80.311%0.1139%0.388CS..Hα-helixtrans-57.1-40174.6-26.334.2000113E35 I36 F42 L43 F232E35-P39 WeakPolarHBondContact O-CD 3.44Å; E35-P39 WeakPolarHBondContact O-CG 3.23Å; I36-P39 WeakPolarHBondContact O-CD 3.41Å; P39-F42 PolarHBondContact O-N 3.38Å; P39-L43 WeakPolarHBondContact O-CB 3.03Å; P39-L43 PolarHBondContact O-N 3.35Å; P39-F232 HydrophobicContact CB-CE2 3.69Å; P39-F232 HydrophobicContact CB-CZ 3.7Å; P39-F232 HydrophobicContact CG-CD2 4.16Å; P39-F232 HydrophobicContact CG-CE1 3.95Å; P39-F232 HydrophobicContact CG-CE2 3.47Å; P39-F232 VanDerWaalsContact CG-CE2 3.47Å; P39-F232 HydrophobicContact CG-CZ 3.36Å
40L87.6Confident83.6Confident104 Ų10475.7 Ų75.755%0.54538%0.375SS..Hα-helixtrans-64-42.4176.1-73173.7000112I36 L37 F38 L43 F44I36-L40 HydrophobicContact CG2-CD1 3.73Å; I36-L40 HydrophobicContact CG2-CG 4.42Å; I36-L40 VanDerWaalsContact O-CG 3.29Å; I36-L40 WeakPolarHBondContact O-CG 3.38Å; I36-L40 PolarHBondContact O-N 3.38Å; L37-L40 PolarHBondContact O-N 2.95Å; F38-L40 VanDerWaalsContact C-N 3.27Å; F38-L40 PolarHBondContact O-N 3.34Å; L40-L43 PolarHBondContact O-N 2.96Å; L40-F44 WeakPolarHBondContact O-CB 3.26Å; L40-F44 PolarHBondContact O-N 2.89Å
41F89.3Confident84Confident105 Ų10573.1 Ų73.146%0.46137%0.368SS..Hα-helixtrans-61.4-50.2175.9176.4-97.1000111.2L37 F38 L43 F44 W45L37-F41 VanDerWaalsContact O-CB 3.28Å; L37-F41 WeakPolarHBondContact O-CB 3.3Å; L37-F41 PolarHBondContact O-N 3.29Å; F38-F41 WeakPolarHBondContact O-CB 3.39Å; F38-F41 PolarHBondContact O-N 3.21Å; F38-F41 VanDerWaalsContact O-N 3.15Å; F41-L43 PolarHBondContact O-N 3.43Å; F41-F44 WeakPolarHBondContact O-CB 3.35Å; F41-F44 PolarHBondContact O-N 2.97Å; F41-W45 AromaticContact CD1-CD1 3.73Å; F41-W45 AromaticContact CD1-NE1 3.99Å; F41-W45 AromaticContact CD2-NE1 3.76Å; F41-W45 AromaticContact CE1-CD1 3.48Å; F41-W45 VanDerWaalsContact CE1-CD1 3.48Å; F41-W45 AromaticContact CE1-NE1 3.38Å; F41-W45 AromaticContact CE2-CD1 3.82Å; F41-W45 AromaticContact CE2-NE1 3.13Å; F41-W45 AromaticContact CZ-CD1 3.56Å; F41-W45 AromaticContact CZ-NE1 2.93Å; F41-W45 PolarHBondContact O-N 3.34Å; F41-W45 VanDerWaalsContact O-N 3.08Å
42F87.1Confident84.5Confident47 Ų4778.8 Ų78.821%0.20639%0.393CS..Hα-helixtrans-61-45.5176.4-71.8-66.4000111.2F38 P39 F44 W45 L46 Y224 I227 A228 P231F38-F42 HydrophobicContact CB-CD2 4.4Å; F38-F42 HydrophobicContact CB-CE2 4.24Å; F38-F42 WeakPolarHBondContact O-CD2 3.48Å; F38-F42 PolarHBondContact O-N 2.87Å; P39-F42 PolarHBondContact O-N 3.38Å; F42-F44 VanDerWaalsContact C-N 3.31Å; F42-F44 PolarHBondContact O-N 2.68Å; F42-W45 PolarHBondContact O-N 3.43Å; F42-W45 VanDerWaalsContact O-N 3.15Å; F42-L46 PolarHBondContact O-N 3.26Å; F42-Y224 HydrophobicContact CB-CE1 3.88Å; F42-Y224 AromaticContact CD1-CE1 3.95Å; F42-Y224 HydrophobicContact CD1-CE1 3.95Å; F42-Y224 AromaticContact CD1-CZ 3.78Å; F42-Y224 WeakPolarHBondContact CD1-OH 3.49Å; F42-Y224 HydrophobicContact CG-CE1 4.41Å; F42-Y224 WeakPolarHBondContact O-CE1 3.28Å; F42-I227 HydrophobicContact CE1-CG2 4.25Å; F42-A228 HydrophobicContact CB-CB 3.55Å; F42-A228 HydrophobicContact CG-CB 4.32Å; F42-P231 HydrophobicContact CE2-CG 4.25Å
43L86.9Confident84.6Confident92 Ų9283.6 Ų83.648%0.48241%0.414SS..Hα-helixtrans-60.9-40.9179-164.3155.7000111.8P39 L40 F41 W45 L46 I47P39-L43 WeakPolarHBondContact O-CB 3.03Å; P39-L43 PolarHBondContact O-N 3.35Å; L40-L43 PolarHBondContact O-N 2.96Å; F41-L43 PolarHBondContact O-N 3.43Å; L43-W45 PolarHBondContact O-N 3.31Å; L43-L46 WeakPolarHBondContact O-CB 3.23Å; L43-L46 PolarHBondContact O-N 3.03Å; L43-I47 HydrophobicContact CD2-CD1 3.56Å; L43-I47 HydrophobicContact CD2-CG1 4.16Å; L43-I47 WeakPolarHBondContact O-CG1 3.5Å; L43-I47 PolarHBondContact O-N 2.99Å
44F89.3Confident84.5Confident118 Ų11884.2 Ų84.252%0.51842%0.419SS..Hα-helixtrans-58.7-47173.8174.8-102000112.1L40 F41 F42 L46 I47 L48L40-F44 WeakPolarHBondContact O-CB 3.26Å; L40-F44 PolarHBondContact O-N 2.89Å; F41-F44 WeakPolarHBondContact O-CB 3.35Å; F41-F44 PolarHBondContact O-N 2.97Å; F42-F44 VanDerWaalsContact C-N 3.31Å; F42-F44 PolarHBondContact O-N 2.68Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 2.96Å; F44-I47 PolarHBondContact O-N 2.94Å; F44-L48 HydrophobicContact CD1-CD1 4.07Å; F44-L48 HydrophobicContact CE1-CD1 3.47Å; F44-L48 VanDerWaalsContact CE1-CD1 3.47Å; F44-L48 HydrophobicContact CE1-CG 4.21Å; F44-L48 HydrophobicContact CZ-CD1 3.82Å; F44-L48 HydrophobicContact CZ-CD2 4.44Å; F44-L48 HydrophobicContact CZ-CG 4.23Å; F44-L48 PolarHBondContact O-N 3.13Å
45W87.4Confident84.3Confident110 Ų11083.9 Ų83.942%0.41742%0.42SS..Hα-helixtrans-64.2-36.5175.5-81.1107.7000113.3F41 F42 L43 I47 L48 I49 Y224F41-W45 AromaticContact CD1-CD1 3.73Å; F41-W45 AromaticContact CD1-NE1 3.99Å; F41-W45 AromaticContact CD2-NE1 3.76Å; F41-W45 AromaticContact CE1-CD1 3.48Å; F41-W45 VanDerWaalsContact CE1-CD1 3.48Å; F41-W45 AromaticContact CE1-NE1 3.38Å; F41-W45 AromaticContact CE2-CD1 3.82Å; F41-W45 AromaticContact CE2-NE1 3.13Å; F41-W45 AromaticContact CZ-CD1 3.56Å; F41-W45 AromaticContact CZ-NE1 2.93Å; F41-W45 PolarHBondContact O-N 3.34Å; F41-W45 VanDerWaalsContact O-N 3.08Å; F42-W45 PolarHBondContact O-N 3.43Å; F42-W45 VanDerWaalsContact O-N 3.15Å; L43-W45 PolarHBondContact O-N 3.31Å; W45-I47 VanDerWaalsContact C-N 3.34Å; W45-L48 HydrophobicContact CD2-CD1 4.5Å; W45-L48 HydrophobicContact CE3-CD1 4.05Å; W45-L48 HydrophobicContact CZ3-CD1 4.28Å; W45-L48 WeakPolarHBondContact O-CB 3.31Å; W45-L48 PolarHBondContact O-N 2.8Å; W45-I49 VanDerWaalsContact O-CG1 3.29Å; W45-I49 WeakPolarHBondContact O-CG1 3.5Å; W45-I49 PolarHBondContact O-N 2.68Å; W45-Y224 HydrophobicContact CB-CE1 4.3Å; W45-Y224 WeakPolarHBondContact CB-OH 3.31Å
46L85.9Confident84Confident31 Ų3188 Ų8816%0.16244%0.438CS..Hα-helixtrans-61.5-44.3174.8-169.6164.1000110.6F42 L43 F44 L48 I49 S50 I221 Y224 L225F42-L46 PolarHBondContact O-N 3.26Å; L43-L46 WeakPolarHBondContact O-CB 3.23Å; L43-L46 PolarHBondContact O-N 3.03Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 2.96Å; L46-L48 VanDerWaalsContact C-N 3.33Å; L46-L48 PolarHBondContact O-N 2.79Å; L46-I49 PolarHBondContact O-N 2.92Å; L46-S50 WeakPolarHBondContact O-CB 3.38Å; L46-S50 PolarHBondContact O-N 2.74Å; L46-I221 HydrophobicContact CD1-CG2 4.35Å; L46-I221 HydrophobicContact CD2-CG2 4Å; L46-I221 HydrophobicContact CG-CG2 4.23Å; L46-Y224 HydrophobicContact CB-CD1 3.9Å; L46-Y224 HydrophobicContact CB-CE1 4.13Å; L46-Y224 HydrophobicContact CD1-CD1 4.15Å; L46-Y224 HydrophobicContact CG-CD1 4.26Å; L46-L225 HydrophobicContact CD1-CB 4.05Å
47I86.2Confident83.7Confident83 Ų8391.2 Ų91.243%0.42645%0.448SS..Hα-helixtrans-59.3-46.2174.9-66.9169000110.3L43 F44 W45 I49 S50 M51L43-I47 HydrophobicContact CD2-CD1 3.56Å; L43-I47 HydrophobicContact CD2-CG1 4.16Å; L43-I47 WeakPolarHBondContact O-CG1 3.5Å; L43-I47 PolarHBondContact O-N 2.99Å; F44-I47 PolarHBondContact O-N 2.94Å; W45-I47 VanDerWaalsContact C-N 3.34Å; I47-I49 PolarHBondContact O-N 3Å; I47-S50 PolarHBondContact O-N 2.88Å; I47-M51 HydrophobicContact CG2-CG 4.39Å; I47-M51 HydrophobicContact CG2-SD 4.05Å; I47-M51 WeakPolarHBondContact O-CG 3.45Å; I47-M51 PolarHBondContact O-N 2.86Å
48L86.7Confident83.2Confident63 Ų6389 Ų8933%0.3343%0.433SS..Hα-helixtrans-59.1-47.7177-70.8179000112F44 W45 L46 S50 M51 M52F44-L48 HydrophobicContact CD1-CD1 4.07Å; F44-L48 HydrophobicContact CE1-CD1 3.47Å; F44-L48 VanDerWaalsContact CE1-CD1 3.47Å; F44-L48 HydrophobicContact CE1-CG 4.21Å; F44-L48 HydrophobicContact CZ-CD1 3.82Å; F44-L48 HydrophobicContact CZ-CD2 4.44Å; F44-L48 HydrophobicContact CZ-CG 4.23Å; F44-L48 PolarHBondContact O-N 3.13Å; W45-L48 HydrophobicContact CD2-CD1 4.5Å; W45-L48 HydrophobicContact CE3-CD1 4.05Å; W45-L48 HydrophobicContact CZ3-CD1 4.28Å; W45-L48 WeakPolarHBondContact O-CB 3.31Å; W45-L48 PolarHBondContact O-N 2.8Å; L46-L48 VanDerWaalsContact C-N 3.33Å; L46-L48 PolarHBondContact O-N 2.79Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.48Å; L48-M51 PolarHBondContact O-N 2.85Å; L48-M51 VanDerWaalsContact O-N 3.14Å; L48-M52 VanDerWaalsContact O-CG 3.28Å; L48-M52 WeakPolarHBondContact O-CG 3.19Å; L48-M52 PolarHBondContact O-N 3.08Å
49I82.7Confident82.9Confident48 Ų4893.4 Ų93.425%0.24645%0.454CS..Hα-helixtrans-60.7-42.5178-67.9164.8000110.6W45 L46 I47 M51 M52 H53 I221 Y224W45-I49 VanDerWaalsContact O-CG1 3.29Å; W45-I49 WeakPolarHBondContact O-CG1 3.5Å; W45-I49 PolarHBondContact O-N 2.68Å; L46-I49 PolarHBondContact O-N 2.92Å; I47-I49 PolarHBondContact O-N 3Å; I49-M51 VanDerWaalsContact C-N 3.3Å; I49-M51 PolarHBondContact O-N 3.46Å; I49-M52 PolarHBondContact O-N 3.47Å; I49-H53 PolarHBondContact O-N 3.4Å; I49-I221 HydrophobicContact CG2-CG1 4.47Å; I49-Y224 HydrophobicContact CD1-CD2 4.15Å; I49-Y224 HydrophobicContact CD1-CE2 4.08Å
50S82.8Confident82.7Confident58 Ų5899.4 Ų99.441%0.40648%0.481SS..Hα-helixtrans-65.4-32.1177-174.60000112.9L46 I47 L48L46-S50 WeakPolarHBondContact O-CB 3.38Å; L46-S50 PolarHBondContact O-N 2.74Å; I47-S50 PolarHBondContact O-N 2.88Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.48Å
51M83.3Confident82.3Confident138 Ų13896.2 Ų96.268%0.6847%0.466SS*.Hα-helixtrans-75.2-34.2175.4-73.8-179.466.800112.3I47 L48 I49 H53I47-M51 HydrophobicContact CG2-CG 4.39Å; I47-M51 HydrophobicContact CG2-SD 4.05Å; I47-M51 WeakPolarHBondContact O-CG 3.45Å; I47-M51 PolarHBondContact O-N 2.86Å; L48-M51 PolarHBondContact O-N 2.85Å; L48-M51 VanDerWaalsContact O-N 3.14Å; I49-M51 VanDerWaalsContact C-N 3.3Å; I49-M51 PolarHBondContact O-N 3.46Å; M51-H53 VanDerWaalsContact C-N 3.31Å; M51-H53 PolarHBondContact O-N 3.33Å
52M82.3Confident82Confident147 Ų14795.6 Ų95.672%0.72447%0.472SS*.Hα-helixtrans-69.4-28.3178.7-71.3-63.4-64.500112.8L48 I49 P54L48-M52 VanDerWaalsContact O-CG 3.28Å; L48-M52 WeakPolarHBondContact O-CG 3.19Å; L48-M52 PolarHBondContact O-N 3.08Å; I49-M52 PolarHBondContact O-N 3.47Å; M52-P54 VanDerWaalsContact C-CD 3.48Å; M52-P54 WeakPolarHBondContact O-CD 3.41Å
53H77.2Confident81.9Confident116 Ų11698.4 Ų98.454%0.53749%0.489SS..SBendtrans-121.172.6177.7-67.2-73.1000111.2I49 M51 P217I49-H53 PolarHBondContact O-N 3.4Å; M51-H53 VanDerWaalsContact C-N 3.31Å; M51-H53 PolarHBondContact O-N 3.33Å; H53-P217 HydrophobicContact CB-CB 3.97Å; H53-P217 HydrophobicContact CB-CG 4.4Å
54P76.6Confident81.8Confident96 Ų9698.1 Ų98.162%0.62349%0.487SS*.PPolyproline II helixtrans-65.4150.3174.929.7-34000110.4M52 K56M52-P54 VanDerWaalsContact C-CD 3.48Å; M52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-K56 PolarHBondContact O-N 3.31Å
55N76.6Confident81.5Confident78 Ų7898.8 Ų98.842%0.41749%0.492SS..PPolyproline II helixtrans-59.6136.5171.6-57.7-58.3000109.2K57 V211N55-K57 PolarHBondContact O-N 2.94Å; N55-V211 HydrophobicContact CB-CG1 3.56Å
56K76.8Confident81.2Confident113 Ų11395.2 Ų95.249%0.49148%0.481SS..EExtended strand (participates in β ladder)trans-70.9123.7175.1-64.9176.6-174.1171.20108P54 Y58 V211 E212P54-K56 PolarHBondContact O-N 3.31Å; K56-Y58 HydrophobicContact CB-CE2 3.93Å; K56-V211 CarbonylContact O-C 3.57Å; K56-V211 WeakPolarHBondContact O-CA 3.44Å; K56-E212 HydrophobicContact CB-CB 4.27Å; K56-E212 WeakPolarHBondContact CD-OE2 3.28Å; K56-E212 PolarHBondContact N-O 3.27Å; K56-E212 IonicContact NZ-OE2 3.44Å; K56-E212 PolarHBondContact O-N 2.86Å
57K76.3Confident80.8Confident169 Ų169100.1 Ų100.174%0.73551%0.507SS*.EExtended strand (participates in β ladder)trans-106123.4176.1-62.9-173.4179.1179.30108.1N55 V211N55-K57 PolarHBondContact O-N 2.94Å; K57-V211 HydrophobicContact CG-CG1 4.42Å; K57-V211 HydrophobicContact CG-CG2 4.19Å
58Y76.1Confident80.3Confident60 Ų6099 Ų9924%0.23551%0.505CS..EExtended strand (participates in β ladder)trans-101.3126.2171.3-62.9-84.3000107.9K56 A209 V210 E212K56-Y58 HydrophobicContact CB-CE2 3.93Å; Y58-A209 WeakPolarHBondContact O-CA 3.5Å; Y58-V210 WeakPolarHBondContact CB-O 3.29Å; Y58-V210 PolarHBondContact N-O 3.47Å; Y58-V210 PolarHBondContact O-N 3.29Å; Y58-E212 HydrophobicContact CD2-CB 4.15Å; Y58-E212 HydrophobicContact CE2-CB 3.63Å; Y58-E212 WeakPolarHBondContact CE2-OE2 3.44Å; Y58-E212 PolarHBondContact OH-OE2 2.86Å
59E78.9Confident79.6Confident169 Ų16997.2 Ų97.279%0.7950%0.496SS*.PPolyproline II helixtrans-72.8163.3173.3-66.4-175.9170.600110.4V61E59-V61 PolarHBondContact O-N 3.29Å
60E80.1Confident78.9Confident142 Ų14298.8 Ų98.866%0.66450%0.504SS*.PPolyproline II helixtrans-66.5129.4174.1-175.8174.4-177.800109.8E207 A209E60-E207 CarbonylContact C-O 3.34Å; E60-E207 WeakPolarHBondContact CA-O 3.48Å; E60-A209 HydrophobicContact CB-CB 4.22Å
61V80.4Confident78.3Confident38 Ų3898.4 Ų98.423%0.2350%0.496CS..BIsolated β-bridgetrans-102.1117.3174.2-178.10000107E59 G206 E207E59-V61 PolarHBondContact O-N 3.29Å; V61-G206 CarbonylContact O-C 3.59Å; V61-G206 WeakPolarHBondContact O-CA 3.33Å; V61-E207 HydrophobicContact CB-CB 4.43Å; V61-E207 PolarHBondContact N-O 3.27Å; V61-E207 PolarHBondContact O-N 3.46Å
62P82.9Confident77.4Confident92 Ų9299.5 Ų99.560%0.59750%0.497SS*.PPolyproline II helixtrans-69.2162.7177.729.5-34.7000111.4I64P62-I64 PolarHBondContact O-N 3.23Å
63N85.4Confident76.6Confident106 Ų10695.7 Ų95.757%0.56748%0.482SS*.PPolyproline II helixtrans-59.3136.8169.8-65.2-45000110.2V203 I204 G206N63-V203 HydrophobicContact CB-CG1 3.84Å; N63-I204 WeakPolarHBondContact CA-O 3.24Å; N63-G206 PolarHBondContact OD1-N 3.42Å
64I83.1Confident76.3Confident85 Ų8590.2 Ų90.244%0.43646%0.457SS..EExtended strand (participates in β ladder)trans-114113.4176-59.6170000107.9P62 L66 V203 I204P62-I64 PolarHBondContact O-N 3.23Å; I64-L66 PolarHBondContact O-N 3.48Å; I64-V203 WeakPolarHBondContact O-CA 3.39Å; I64-I204 HydrophobicContact CB-CB 4.31Å; I64-I204 PolarHBondContact N-O 3.15Å; I64-I204 PolarHBondContact O-N 2.73Å
65E83.9Confident75.9Confident133 Ų13388.7 Ų88.762%0.62145%0.448SS*.EExtended strand (participates in β ladder)trans-70.5126.4169.8-64.3-169.3-175.100109.3V203E65-V203 HydrophobicContact CG-CG2 4.18Å
66L81.6Confident75.7Confident34 Ų3490.7 Ų90.718%0.17846%0.459CS..PPolyproline II helixtrans-83.9147.2171-65.6173000109.2I64 W169 A202 I204I64-L66 PolarHBondContact O-N 3.48Å; L66-W169 HydrophobicContact CB-CG 4.41Å; L66-W169 HydrophobicContact CD1-CB 3.89Å; L66-W169 HydrophobicContact CD1-CD2 4.18Å; L66-W169 HydrophobicContact CD1-CG 3.65Å; L66-A202 HydrophobicContact CB-CB 4.34Å; L66-A202 WeakPolarHBondContact CB-O 3.3Å; L66-A202 HydrophobicContact CD1-CB 3.96Å; L66-A202 PolarHBondContact N-O 3.22Å; L66-I204 HydrophobicContact CD1-CD1 4.2Å; L66-I204 HydrophobicContact CD1-CG1 3.88Å; L66-I204 HydrophobicContact CD2-CD1 3.89Å; L66-I204 HydrophobicContact CD2-CG1 4.29Å; L66-I204 HydrophobicContact CG-CD1 4.22Å; L66-I204 HydrophobicContact CG-CG1 4.06Å
67N77.9Confident76Confident134 Ų13486.1 Ų86.172%0.71744%0.44SS*.PPolyproline II helixtrans-57.8148.6172.7-73.3-9.6000109.8W169N67-W169 PolarHBondContact O-NE1 3.34Å
68P75.4Confident76.5Confident60 Ų6079 Ų7939%0.3941%0.41SS..SBendtrans-49.4152.1169.4-23.132.3000110.9D70 K201P68-D70 PolarHBondContact O-N 2.86Å; P68-K201 HydrophobicContact CG-CG 4.22Å
69M71.9Confident77.1Confident25 Ų2576.2 Ų76.212%0.12340%0.399CS..  trans-44.9106.9-177.8-82-172.1163.600111.9K71 W169 T174 V175 A178M69-K71 PolarHBondContact O-N 3.42Å; M69-W169 HydrophobicContact CE-CH2 3.96Å; M69-W169 HydrophobicContact CE-CZ3 3.84Å; M69-W169 HydrophobicContact CG-CH2 3.8Å; M69-W169 HydrophobicContact CG-CZ2 3.81Å; M69-W169 HydrophobicContact CG-CZ3 4.45Å; M69-T174 VanDerWaalsContact CE-C 3.48Å; M69-T174 WeakPolarHBondContact CE-O 3.48Å; M69-V175 HydrophobicContact CB-CG2 3.74Å; M69-V175 HydrophobicContact CG-CG2 3.81Å; M69-V175 HydrophobicContact SD-CB 4.45Å; M69-V175 HydrophobicContact SD-CG2 4.09Å; M69-A178 HydrophobicContact CE-CB 3.94Å; M69-A178 HydrophobicContact SD-CB 4.14Å
70D67.3Low77.8Confident81 Ų8168.1 Ų68.143%0.43336%0.361SS..  trans-81.5118.6-179.6-168.6-3.9000109.3P68 F72 T73P68-D70 PolarHBondContact O-N 2.86Å; D70-F72 VanDerWaalsContact C-N 3.3Å; D70-F72 WeakPolarHBondContact OD1-CB 3.45Å; D70-F72 WeakPolarHBondContact OD1-CD2 3.07Å; D70-F72 PolarHBondContact OD1-N 2.86Å; D70-T73 PolarHBondContact O-OG1 2.95Å
71K70.6Confident78.4Confident51 Ų5161.6 Ų61.622%0.22233%0.33CS..SBendtrans-75.5-22.4177.7-64.6176.6-179.31740111.8M69 T73 L74 L100 V103 E198M69-K71 PolarHBondContact O-N 3.42Å; K71-T73 VanDerWaalsContact C-N 3.26Å; K71-T73 PolarHBondContact O-N 2.83Å; K71-L74 PolarHBondContact O-N 2.91Å; K71-L100 HydrophobicContact CB-CD2 4.5Å; K71-L100 HydrophobicContact CD-CD2 4.42Å; K71-L100 HydrophobicContact CG-CD2 4.14Å; K71-V103 WeakPolarHBondContact O-CG1 3.25Å; K71-E198 WeakPolarHBondContact CE-OE1 3.28Å; K71-E198 IonicContact NZ-OE1 2.69Å; K71-E198 PolarHBondContact NZ-OE1 2.86Å; K71-E198 IonicContact NZ-OE2 3.02Å; K71-E198 PolarHBondContact NZ-OE2 3.22Å
72F63.4Low79Confident161 Ų16160 Ų6071%0.70632%0.32SS*.G310 helixtrans-67.7-25.6-174.5-70.7-71.2000113.1D70 L74 S75D70-F72 VanDerWaalsContact C-N 3.3Å; D70-F72 WeakPolarHBondContact OD1-CB 3.45Å; D70-F72 WeakPolarHBondContact OD1-CD2 3.07Å; D70-F72 PolarHBondContact OD1-N 2.86Å; F72-L74 PolarHBondContact O-N 2.77Å; F72-S75 VanDerWaalsContact O-CB 3.29Å; F72-S75 WeakPolarHBondContact O-CB 3.48Å; F72-S75 PolarHBondContact O-N 2.75Å; F72-S75 VanDerWaalsContact O-N 3.08Å; F72-S75 PolarHBondContact O-OG 2.97Å
73T65.8Low79.6Confident66 Ų6658.2 Ų58.241%0.40531%0.309SS..G310 helixtrans-65.6-20.4176.550.70000113.1D70 K71 S170D70-T73 PolarHBondContact O-OG1 2.95Å; K71-T73 VanDerWaalsContact C-N 3.26Å; K71-T73 PolarHBondContact O-N 2.83Å; T73-S170 WeakPolarHBondContact CG2-O 3.43Å
74L70.4Confident79.8Confident2 Ų255.9 Ų55.91%0.0130%0.298CS..G310 helixtrans-91.21.7176.3-66.2172.9000113K71 F72 N76 L77 L100 V103 I104 V175K71-L74 PolarHBondContact O-N 2.91Å; F72-L74 PolarHBondContact O-N 2.77Å; L74-N76 PolarHBondContact O-N 3.3Å; L74-L77 HydrophobicContact CD2-CD2 3.76Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 2.87Å; L74-L100 HydrophobicContact CD1-CD1 3.99Å; L74-L100 HydrophobicContact CD1-CD2 4.14Å; L74-V103 HydrophobicContact CB-CG1 3.47Å; L74-V103 VanDerWaalsContact CB-CG1 3.47Å; L74-V103 VanDerWaalsContact O-CG1 3.32Å; L74-V103 WeakPolarHBondContact O-CG1 3.47Å; L74-V103 VanDerWaalsContact O-O 3.05Å; L74-I104 HydrophobicContact CD1-CD1 4.47Å; L74-V175 HydrophobicContact CD1-CB 3.89Å; L74-V175 HydrophobicContact CD1-CG1 3.7Å
75S69.3Low80.2Confident64 Ų6454.7 Ų54.745%0.44830%0.295SS..THydrogen-bonded Turntrans-63.4131-177.259.90000112.2F72 L77F72-S75 VanDerWaalsContact O-CB 3.29Å; F72-S75 WeakPolarHBondContact O-CB 3.48Å; F72-S75 PolarHBondContact O-N 2.75Å; F72-S75 VanDerWaalsContact O-N 3.08Å; F72-S75 PolarHBondContact O-OG 2.97Å; S75-L77 VanDerWaalsContact C-N 3.28Å; S75-L77 PolarHBondContact O-N 3.49Å
76N72.8Confident80.6Confident119 Ų11955.8 Ų55.864%0.63631%0.305SS*.THydrogen-bonded Turntrans69.218.1-176-46-69.7000115.1L74 V103 N125L74-N76 PolarHBondContact O-N 3.3Å; N76-V103 PolarHBondContact N-O 3.38Å; N76-N125 PolarHBondContact O-ND2 3.45Å
77L82.3Confident81Confident17 Ų1758.3 Ų58.39%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-77.7135.4172.6-161.280.2000110.6L74 S75 I104 I105 N125 V127L74-L77 HydrophobicContact CD2-CD2 3.76Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 2.87Å; S75-L77 VanDerWaalsContact C-N 3.28Å; S75-L77 PolarHBondContact O-N 3.49Å; L77-I104 WeakPolarHBondContact O-CA 3.48Å; L77-I105 PolarHBondContact O-N 2.96Å; L77-N125 WeakPolarHBondContact CD1-O 3.34Å; L77-V127 HydrophobicContact CD1-CG2 3.87Å; L77-V127 HydrophobicContact CD2-CB 4.07Å; L77-V127 HydrophobicContact CD2-CG2 3.72Å; L77-V127 HydrophobicContact CG-CG2 4.09Å
78I86.9Confident81.7Confident21 Ų2152.2 Ų52.211%0.10829%0.286CS..EExtended strand (participates in β ladder)trans-96.6118.8171.8-57.1173.4000107.5I105 E107 K122 N125 F126 V127I78-I105 CarbonylContact C-O 3.56Å; I78-I105 WeakPolarHBondContact CA-O 3.5Å; I78-I105 HydrophobicContact CG1-CB 4.4Å; I78-E107 HydrophobicContact CG2-CB 4.48Å; I78-E107 VanDerWaalsContact CG2-CD 3.46Å; I78-E107 HydrophobicContact CG2-CG 3.86Å; I78-E107 WeakPolarHBondContact CG2-OE2 3.38Å; I78-K122 HydrophobicContact CD1-CD 3.45Å; I78-K122 VanDerWaalsContact CD1-CD 3.45Å; I78-N125 PolarHBondContact N-O 2.57Å; I78-F126 HydrophobicContact CB-CD2 4.13Å; I78-F126 HydrophobicContact CG2-CD2 3.76Å; I78-F126 HydrophobicContact CG2-CE2 4.08Å; I78-F126 CarbonylContact O-C 3.56Å; I78-F126 WeakPolarHBondContact O-CA 3.4Å; I78-V127 PolarHBondContact O-N 3.14Å
79L89.8Confident82.5Confident0 Ų051 Ų510%028%0.278CS..EExtended strand (participates in β ladder)trans-106.699.6-179.5-170.862.8000109.3M92 I104 I105 T106 E107 V127 V129 L176L79-M92 HydrophobicContact CD2-CE 3.23Å; L79-M92 HydrophobicContact CG-CE 3.71Å; L79-I104 HydrophobicContact CB-CG2 3.27Å; L79-I104 HydrophobicContact CD2-CD1 4.22Å; L79-I104 HydrophobicContact CD2-CG2 3.94Å; L79-I104 HydrophobicContact CG-CG2 4.27Å; L79-I105 PolarHBondContact N-O 3.24Å; L79-T106 CarbonylContact O-C 3.33Å; L79-T106 WeakPolarHBondContact O-CA 3.38Å; L79-E107 PolarHBondContact O-N 2.85Å; L79-V127 CarbonylContact C-O 3.28Å; L79-V127 WeakPolarHBondContact CA-O 3.33Å; L79-V127 HydrophobicContact CD1-CB 4.06Å; L79-V127 HydrophobicContact CD1-CG1 3.91Å; L79-V129 HydrophobicContact CD1-CG2 3.45Å; L79-V129 VanDerWaalsContact CD1-CG2 3.45Å; L79-V129 HydrophobicContact CG-CG2 4.03Å; L79-L176 HydrophobicContact CD1-CD1 4.03Å; L79-L176 HydrophobicContact CD1-CD2 3.88Å; L79-L176 HydrophobicContact CD2-CD1 3.67Å
80G91.6Very high83.4Confident0 Ų051.8 Ų51.80%029%0.286CS..EExtended strand (participates in β ladder)trans-83.8136.1172.900000110.7E107 V127 G128 V129G80-E107 CarbonylContact C-O 3.53Å; G80-E107 VanDerWaalsContact CA-O 3.29Å; G80-E107 WeakPolarHBondContact CA-O 3.07Å; G80-V127 PolarHBondContact N-O 3.37Å; G80-G128 CarbonylContact O-C 3.6Å; G80-G128 WeakPolarHBondContact O-CA 3.45Å; G80-V129 PolarHBondContact O-N 3.13Å
81Y93.3Very high84.6Confident4 Ų448 Ų482%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-130.4151.8173.173.1-90.1000114V84 M92 E107 E108 Y109 V129 F131Y81-V84 HydrophobicContact CE2-CG2 4.06Å; Y81-M92 HydrophobicContact CD1-CB 3.94Å; Y81-M92 HydrophobicContact CD1-CE 4.14Å; Y81-M92 HydrophobicContact CD1-CG 3.63Å; Y81-M92 HydrophobicContact CD2-CG 3.99Å; Y81-M92 HydrophobicContact CE1-CB 3.74Å; Y81-M92 HydrophobicContact CE1-CG 3.9Å; Y81-M92 HydrophobicContact CE2-CG 4.29Å; Y81-M92 HydrophobicContact CG-CB 4.42Å; Y81-M92 HydrophobicContact CG-CG 3.65Å; Y81-E107 PolarHBondContact N-O 2.71Å; Y81-E108 HydrophobicContact CE1-CB 4.48Å; Y81-E108 HydrophobicContact CE1-CG 3.77Å; Y81-E108 WeakPolarHBondContact OH-CG 3.34Å; Y81-E108 PolarHBondContact OH-OE1 2.95Å; Y81-Y109 PolarHBondContact O-N 3.23Å; Y81-V129 CarbonylContact C-O 3.59Å; Y81-V129 VanDerWaalsContact CA-O 3.26Å; Y81-V129 WeakPolarHBondContact CA-O 3.26Å; Y81-F131 HydrophobicContact CD2-CE2 4.48Å
82T94.3Very high85.6Confident4 Ų445.7 Ų45.73%0.02526%0.256CS..EExtended strand (participates in β ladder)trans-153.9151.3-179.5-167.20000110.9Y109 E112 M115 V129 V130 F131T82-Y109 WeakPolarHBondContact CA-O 3.29Å; T82-Y109 VanDerWaalsContact CB-O 3.31Å; T82-Y109 WeakPolarHBondContact CB-O 3.31Å; T82-Y109 PolarHBondContact OG1-O 3.34Å; T82-E112 HydrophobicContact CG2-CB 4.37Å; T82-M115 HydrophobicContact CG2-CE 4.1Å; T82-M115 HydrophobicContact CG2-SD 3.93Å; T82-V129 PolarHBondContact N-O 3.37Å; T82-V130 HydrophobicContact CG2-CB 4.37Å; T82-V130 HydrophobicContact CG2-CG1 4.21Å; T82-V130 HydrophobicContact CG2-CG2 4.05Å; T82-V130 CarbonylContact O-C 3.58Å; T82-V130 WeakPolarHBondContact O-CA 3.48Å; T82-F131 PolarHBondContact O-N 3.49Å
83P93.7Very high86.9Confident55 Ų5544 Ų4436%0.35725%0.251SS..SBendcis-74.6154.9-12.432-34.5000111.8T85 T88 F131P83-T85 HydrophobicContact CG-CG2 4.31Å; P83-T85 PolarHBondContact O-N 2.85Å; P83-T88 PolarHBondContact O-OG1 3.24Å; P83-F131 VanDerWaalsContact CD-O 3.25Å; P83-F131 WeakPolarHBondContact CD-O 3.5Å
84V91.3Very high88Confident57 Ų5743 Ų4335%0.34524%0.241SC..  trans-77.5111.5174.4179.80000109.1Y81 E108 Y109Y81-V84 HydrophobicContact CE2-CG2 4.06Å; V84-E108 HydrophobicContact CG2-CB 3.69Å; V84-Y109 WeakPolarHBondContact CG2-O 3.45Å
85T91.4Very high88.9Confident60 Ų6043 Ų4337%0.36824%0.241SC..  trans-135.6163.9175.768.20000108.9P83 I87 T88 S89P83-T85 HydrophobicContact CG-CG2 4.31Å; P83-T85 PolarHBondContact O-N 2.85Å; T85-I87 PolarHBondContact O-N 3.03Å; T85-I87 VanDerWaalsContact O-N 3.15Å; T85-T88 PolarHBondContact N-OG1 2.82Å; T85-T88 PolarHBondContact O-N 2.98Å; T85-T88 PolarHBondContact O-OG1 3.32Å; T85-T88 WeakPolarHBondContact OG1-CG2 3.37Å; T85-T88 PolarHBondContact OG1-N 3.31Å; T85-T88 VanDerWaalsContact OG1-N 3.13Å; T85-T88 PolarHBondContact OG1-OG1 3.47Å; T85-S89 VanDerWaalsContact O-CB 3.28Å; T85-S89 WeakPolarHBondContact O-CB 3.38Å; T85-S89 PolarHBondContact O-N 2.74Å
86N91.5Very high89.7Confident156 Ų15641.6 Ų41.683%0.83423%0.231SC*.Hα-helixtrans-55.4-35.2177.2-64.60.6000112.2S90N86-S90 WeakPolarHBondContact O-CB 2.98Å; N86-S90 PolarHBondContact O-N 2.96Å; N86-S90 PolarHBondContact O-OG 3.21Å
87I91Very high90.2Very high88 Ų8839.6 Ų39.645%0.45122%0.223SC..Hα-helixtrans-74.6-52.9-180-58.6174.3000110.3T85 S89 S90 I91T85-I87 PolarHBondContact O-N 3.03Å; T85-I87 VanDerWaalsContact O-N 3.15Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 2.85Å; I87-S90 PolarHBondContact O-N 3.46Å; I87-S90 VanDerWaalsContact O-N 3.15Å; I87-S90 PolarHBondContact O-OG 2.99Å; I87-I91 HydrophobicContact CG2-CD1 3.94Å; I87-I91 WeakPolarHBondContact O-CG1 3.38Å; I87-I91 PolarHBondContact O-N 3.34Å
88T92.3Very high90.1Very high5 Ų542.8 Ų42.83%0.03124%0.24CC..Hα-helixtrans-64.1-38.9-177.152.50000112.1P83 T85 I91 M92 F131P83-T88 PolarHBondContact O-OG1 3.24Å; T85-T88 PolarHBondContact N-OG1 2.82Å; T85-T88 PolarHBondContact O-N 2.98Å; T85-T88 PolarHBondContact O-OG1 3.32Å; T85-T88 WeakPolarHBondContact OG1-CG2 3.37Å; T85-T88 PolarHBondContact OG1-N 3.31Å; T85-T88 VanDerWaalsContact OG1-N 3.13Å; T85-T88 PolarHBondContact OG1-OG1 3.47Å; T88-I91 PolarHBondContact O-N 3.04Å; T88-M92 VanDerWaalsContact O-CG 3.3Å; T88-M92 WeakPolarHBondContact O-CG 3.15Å; T88-M92 PolarHBondContact O-N 3.39Å; T88-F131 HydrophobicContact CG2-CB 3.67Å; T88-F131 HydrophobicContact CG2-CD1 4.04Å; T88-F131 HydrophobicContact CG2-CD2 3.61Å; T88-F131 HydrophobicContact CG2-CE2 4.23Å; T88-F131 HydrophobicContact CG2-CG 3.5Å; T88-F131 VanDerWaalsContact CG2-CG 3.5Å
89S91.4Very high89.7Confident34 Ų3442 Ų4224%0.23824%0.236CC..Hα-helixtrans-62.1-43.3172.9179.70000111.7T85 I87 I91 M92 Q93T85-S89 VanDerWaalsContact O-CB 3.28Å; T85-S89 WeakPolarHBondContact O-CB 3.38Å; T85-S89 PolarHBondContact O-N 2.74Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 2.85Å; S89-I91 VanDerWaalsContact C-N 3.33Å; S89-I91 PolarHBondContact O-N 3.36Å; S89-M92 PolarHBondContact O-N 3.08Å; S89-Q93 VanDerWaalsContact O-CB 3.23Å; S89-Q93 WeakPolarHBondContact O-CB 3.29Å; S89-Q93 PolarHBondContact O-N 3.19Å
90S91.6Very high89.2Confident42 Ų4242 Ų4229%0.29424%0.236SC..Hα-helixtrans-63.7-36.4176.573.20000113.4N86 I87 K94N86-S90 WeakPolarHBondContact O-CB 2.98Å; N86-S90 PolarHBondContact O-N 2.96Å; N86-S90 PolarHBondContact O-OG 3.21Å; I87-S90 PolarHBondContact O-N 3.46Å; I87-S90 VanDerWaalsContact O-N 3.15Å; I87-S90 PolarHBondContact O-OG 2.99Å; S90-K94 WeakPolarHBondContact O-CB 3.5Å; S90-K94 PolarHBondContact O-N 3.41Å
91I92.2Very high88.1Confident3 Ų345.3 Ų45.32%0.01526%0.258CS..Hα-helixtrans-63.2-53174.8-66.9162000109.3I87 T88 S89 Q93 K94 V95 F131 I180 A183 I184 L187I87-I91 HydrophobicContact CG2-CD1 3.94Å; I87-I91 WeakPolarHBondContact O-CG1 3.38Å; I87-I91 PolarHBondContact O-N 3.34Å; T88-I91 PolarHBondContact O-N 3.04Å; S89-I91 VanDerWaalsContact C-N 3.33Å; S89-I91 PolarHBondContact O-N 3.36Å; I91-Q93 PolarHBondContact O-N 3.25Å; I91-K94 WeakPolarHBondContact O-CB 3.32Å; I91-K94 PolarHBondContact O-N 3.45Å; I91-K94 VanDerWaalsContact O-N 3.12Å; I91-V95 WeakPolarHBondContact O-CG2 3.41Å; I91-V95 PolarHBondContact O-N 3.17Å; I91-F131 HydrophobicContact CD1-CE1 4.24Å; I91-F131 HydrophobicContact CG2-CE1 4.46Å; I91-F131 HydrophobicContact CG2-CZ 4.21Å; I91-I180 HydrophobicContact CG2-CG2 4.43Å; I91-A183 HydrophobicContact CG2-CB 4.16Å; I91-I184 HydrophobicContact CD1-CG1 3.98Å; I91-I184 HydrophobicContact CG1-CG1 4.28Å; I91-I184 HydrophobicContact CG2-CG1 4.07Å; I91-L187 HydrophobicContact CB-CD1 4.15Å; I91-L187 HydrophobicContact CG1-CD1 3.44Å; I91-L187 VanDerWaalsContact CG1-CD1 3.44Å
92M90.9Very high86.6Confident1 Ų153.5 Ų53.51%0.00530%0.302CS..Hα-helixtrans-69.1-36.5-174.4-66.8-56.4-57.900112.9L79 Y81 T88 S89 K94 V95 S96 T106 F131L79-M92 HydrophobicContact CD2-CE 3.23Å; L79-M92 HydrophobicContact CG-CE 3.71Å; Y81-M92 HydrophobicContact CD1-CB 3.94Å; Y81-M92 HydrophobicContact CD1-CE 4.14Å; Y81-M92 HydrophobicContact CD1-CG 3.63Å; Y81-M92 HydrophobicContact CD2-CG 3.99Å; Y81-M92 HydrophobicContact CE1-CB 3.74Å; Y81-M92 HydrophobicContact CE1-CG 3.9Å; Y81-M92 HydrophobicContact CE2-CG 4.29Å; Y81-M92 HydrophobicContact CG-CB 4.42Å; Y81-M92 HydrophobicContact CG-CG 3.65Å; T88-M92 VanDerWaalsContact O-CG 3.3Å; T88-M92 WeakPolarHBondContact O-CG 3.15Å; T88-M92 PolarHBondContact O-N 3.39Å; S89-M92 PolarHBondContact O-N 3.08Å; M92-K94 PolarHBondContact O-N 2.81Å; M92-V95 PolarHBondContact O-N 3.48Å; M92-S96 WeakPolarHBondContact O-CB 3.49Å; M92-S96 PolarHBondContact O-N 3.41Å; M92-T106 HydrophobicContact CE-CG2 4.46Å; M92-F131 HydrophobicContact CG-CE2 4.06Å; M92-F131 HydrophobicContact CG-CZ 4.28Å; M92-F131 HydrophobicContact SD-CE2 4.01Å; M92-F131 HydrophobicContact SD-CZ 3.92Å
93Q90.3Very high85.2Confident126 Ų12654.6 Ų54.659%0.58931%0.309SS*.Hα-helixtrans-58.5-41.5171.4-174.4179.612.300110.6S89 I91 S96 T97S89-Q93 VanDerWaalsContact O-CB 3.23Å; S89-Q93 WeakPolarHBondContact O-CB 3.29Å; S89-Q93 PolarHBondContact O-N 3.19Å; I91-Q93 PolarHBondContact O-N 3.25Å; Q93-S96 PolarHBondContact O-N 3.37Å; Q93-T97 WeakPolarHBondContact O-CB 3.48Å; Q93-T97 WeakPolarHBondContact O-CG2 3.19Å; Q93-T97 PolarHBondContact O-N 3.45Å; Q93-T97 PolarHBondContact O-OG1 2.8Å
94K89.5Confident84.1Confident45 Ų4552.7 Ų52.720%0.19630%0.295CS..Hα-helixtrans-69.2-40.6178.7-161.2157.4-154.5179.40113S90 I91 M92 S96 T97 D98 A183 L187S90-K94 WeakPolarHBondContact O-CB 3.5Å; S90-K94 PolarHBondContact O-N 3.41Å; I91-K94 WeakPolarHBondContact O-CB 3.32Å; I91-K94 PolarHBondContact O-N 3.45Å; I91-K94 VanDerWaalsContact O-N 3.12Å; M92-K94 PolarHBondContact O-N 2.81Å; K94-S96 VanDerWaalsContact C-N 3.32Å; K94-S96 PolarHBondContact O-N 3.25Å; K94-T97 PolarHBondContact O-N 2.98Å; K94-D98 WeakPolarHBondContact CE-OD2 3.36Å; K94-D98 HydrophobicContact CG-CB 4.27Å; K94-D98 WeakPolarHBondContact CG-OD2 3.41Å; K94-D98 WeakPolarHBondContact O-CB 3.41Å; K94-D98 PolarHBondContact O-N 2.86Å; K94-A183 HydrophobicContact CB-CB 4.27Å; K94-L187 HydrophobicContact CD-CD2 4.41Å; K94-L187 HydrophobicContact CD-CG 4.38Å
95V89.3Confident83.5Confident2 Ų254.9 Ų54.91%0.01230%0.304CS..Iπ-helixtrans-58.1-46.8173.1173.10000110.9I91 M92 H99 L100 S179 I180 A183I91-V95 WeakPolarHBondContact O-CG2 3.41Å; I91-V95 PolarHBondContact O-N 3.17Å; M92-V95 PolarHBondContact O-N 3.48Å; V95-H99 WeakPolarHBondContact O-CB 3.39Å; V95-H99 PolarHBondContact O-N 2.75Å; V95-L100 HydrophobicContact CG1-CD1 4.18Å; V95-L100 PolarHBondContact O-N 2.55Å; V95-S179 WeakPolarHBondContact CG1-OG 3.15Å; V95-I180 HydrophobicContact CG2-CG1 4.13Å; V95-A183 HydrophobicContact CG2-CB 3.69Å
96S85.9Confident83.1Confident34 Ų3454.5 Ų54.524%0.23830%0.302CS..Iπ-helixtrans-67.1-39.8-179.3-179.80000113M92 Q93 K94 L100 P101M92-S96 WeakPolarHBondContact O-CB 3.49Å; M92-S96 PolarHBondContact O-N 3.41Å; Q93-S96 PolarHBondContact O-N 3.37Å; K94-S96 VanDerWaalsContact C-N 3.32Å; K94-S96 PolarHBondContact O-N 3.25Å; S96-L100 CarbonylContact O-C 3.59Å; S96-P101 VanDerWaalsContact O-CA 3.31Å; S96-P101 WeakPolarHBondContact O-CA 3.34Å
97T83.6Confident83Confident78 Ų7849.1 Ų49.148%0.47927%0.271SS..Iπ-helixtrans-86.7-47.8-174.649.30000113.6Q93 K94Q93-T97 WeakPolarHBondContact O-CB 3.48Å; Q93-T97 WeakPolarHBondContact O-CG2 3.19Å; Q93-T97 PolarHBondContact O-N 3.45Å; Q93-T97 PolarHBondContact O-OG1 2.8Å; K94-T97 PolarHBondContact O-N 2.98Å
98D79.8Confident83.1Confident84 Ų8450.2 Ų50.245%0.44928%0.275SS..Iπ-helixtrans-92.5-32-169.3-70.1-9.6000112.4K94K94-D98 WeakPolarHBondContact CE-OD2 3.36Å; K94-D98 HydrophobicContact CG-CB 4.27Å; K94-D98 WeakPolarHBondContact CG-OD2 3.41Å; K94-D98 WeakPolarHBondContact O-CB 3.41Å; K94-D98 PolarHBondContact O-N 2.86Å
99H79.8Confident83.1Confident3 Ų350.8 Ų50.81%0.01428%0.276CS..Iπ-helixtrans-105.6-44.4-169.2-58.4164.8000112.8V95 P101 S179 A183 W194V95-H99 WeakPolarHBondContact O-CB 3.39Å; V95-H99 PolarHBondContact O-N 2.75Å; H99-P101 VanDerWaalsContact C-CD 3.43Å; H99-S179 PolarHBondContact CE1-O 2.92Å; H99-S179 PolarHBondContact ND1-O 2.72Å; H99-A183 PolarHBondContact CE1-N 2.88Å; H99-W194 HydrophobicContact CB-CD2 3.88Å; H99-W194 HydrophobicContact CB-CE3 4.23Å; H99-W194 HydrophobicContact CB-CG 4.42Å; H99-W194 HydrophobicContact CB-CH2 4.1Å; H99-W194 HydrophobicContact CB-CZ2 3.7Å; H99-W194 HydrophobicContact CB-CZ3 4.36Å; H99-W194 AromaticContact CD2-CD1 3.57Å; H99-W194 AromaticContact CD2-CD2 3.58Å; H99-W194 AromaticContact CD2-CG 3.28Å; H99-W194 AromaticContact CD2-NE1 3.99Å; H99-W194 AromaticContact CG-CD2 3.63Å; H99-W194 AromaticContact CG-CE2 3.9Å; H99-W194 AromaticContact CG-CE3 3.93Å; H99-W194 AromaticContact CG-CG 3.88Å; H99-W194 AromaticContact NE2-CG 3.76Å; H99-W194 WeakPolarHBondContact O-CZ2 3.46Å
100L78.8Confident83.1Confident0 Ų053.2 Ų53.20%029%0.29CS..SBendtrans-130.256.1-172.6-62.9169.9000112.3K71 L74 V95 S96 D102 V103 I104 V175K71-L100 HydrophobicContact CB-CD2 4.5Å; K71-L100 HydrophobicContact CD-CD2 4.42Å; K71-L100 HydrophobicContact CG-CD2 4.14Å; L74-L100 HydrophobicContact CD1-CD1 3.99Å; L74-L100 HydrophobicContact CD1-CD2 4.14Å; V95-L100 HydrophobicContact CG1-CD1 4.18Å; V95-L100 PolarHBondContact O-N 2.55Å; S96-L100 CarbonylContact O-C 3.59Å; L100-D102 PolarHBondContact O-N 3.48Å; L100-V103 HydrophobicContact CB-CB 4.46Å; L100-V103 PolarHBondContact O-N 2.73Å; L100-I104 HydrophobicContact CB-CD1 4.27Å; L100-I104 HydrophobicContact CB-CG1 4.5Å; L100-I104 HydrophobicContact CD1-CD1 3.49Å; L100-I104 VanDerWaalsContact CD1-CD1 3.49Å; L100-I104 HydrophobicContact CD1-CG1 4.49Å; L100-I104 HydrophobicContact CG-CD1 4.45Å; L100-V175 HydrophobicContact CD2-CG1 4.12Å
101P67.6Low83.1Confident71 Ų7156.1 Ų56.146%0.46130%0.302SS..THydrogen-bonded Turntrans-62.4132179.927.6-34.3000110.7S96 H99 V103S96-P101 VanDerWaalsContact O-CA 3.31Å; S96-P101 WeakPolarHBondContact O-CA 3.34Å; H99-P101 VanDerWaalsContact C-CD 3.43Å; P101-V103 PolarHBondContact O-N 2.92Å; P101-V103 VanDerWaalsContact O-N 3.08Å
102D63.3Low83.1Confident176 Ų17659.5 Ų59.594%0.94132%0.318SS*.THydrogen-bonded Turntrans61.810.4176.1-56.6-35.4000116.6L100L100-D102 PolarHBondContact O-N 3.48Å
103V63.6Low83.1Confident27 Ų2767.7 Ų67.716%0.16435%0.353CS..THydrogen-bonded Turntrans-97.1-31.7179.6177.40000111.7K71 L74 N76 L100 P101K71-V103 WeakPolarHBondContact O-CG1 3.25Å; L74-V103 HydrophobicContact CB-CG1 3.47Å; L74-V103 VanDerWaalsContact CB-CG1 3.47Å; L74-V103 VanDerWaalsContact O-CG1 3.32Å; L74-V103 WeakPolarHBondContact O-CG1 3.47Å; L74-V103 VanDerWaalsContact O-O 3.05Å; N76-V103 PolarHBondContact N-O 3.38Å; L100-V103 HydrophobicContact CB-CB 4.46Å; L100-V103 PolarHBondContact O-N 2.73Å; P101-V103 PolarHBondContact O-N 2.92Å; P101-V103 VanDerWaalsContact O-N 3.08Å
104I70.4Confident83.2Confident15 Ų1565.8 Ų65.88%0.07734%0.344CS..EExtended strand (participates in β ladder)trans-127.2134.3-168.9-61.2-174.2000112.1L74 L77 L79 L100 T106 L176L74-I104 HydrophobicContact CD1-CD1 4.47Å; L77-I104 WeakPolarHBondContact O-CA 3.48Å; L79-I104 HydrophobicContact CB-CG2 3.27Å; L79-I104 HydrophobicContact CD2-CD1 4.22Å; L79-I104 HydrophobicContact CD2-CG2 3.94Å; L79-I104 HydrophobicContact CG-CG2 4.27Å; L100-I104 HydrophobicContact CB-CD1 4.27Å; L100-I104 HydrophobicContact CB-CG1 4.5Å; L100-I104 HydrophobicContact CD1-CD1 3.49Å; L100-I104 VanDerWaalsContact CD1-CD1 3.49Å; L100-I104 HydrophobicContact CD1-CG1 4.49Å; L100-I104 HydrophobicContact CG-CD1 4.45Å; I104-T106 HydrophobicContact CG2-CG2 4.31Å; I104-L176 HydrophobicContact CD1-CD1 4.25Å
105I78.7Confident83.3Confident102 Ų10263.7 Ų63.752%0.52334%0.335SS..EExtended strand (participates in β ladder)trans-92114.3168.4-58.6172.4000108.3L77 I78 L79L77-I105 PolarHBondContact O-N 2.96Å; I78-I105 CarbonylContact C-O 3.56Å; I78-I105 WeakPolarHBondContact CA-O 3.5Å; I78-I105 HydrophobicContact CG1-CB 4.4Å; L79-I105 PolarHBondContact N-O 3.24Å
106T84.5Confident83.3Confident53 Ų5366.9 Ų66.933%0.32535%0.352SS..EExtended strand (participates in β ladder)trans-88.5128.4178.853.10000111.6L79 M92 I104L79-T106 CarbonylContact O-C 3.33Å; L79-T106 WeakPolarHBondContact O-CA 3.38Å; M92-T106 HydrophobicContact CE-CG2 4.46Å; I104-T106 HydrophobicContact CG2-CG2 4.31Å
107E88.8Confident83.5Confident42 Ų4269.6 Ų69.620%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-116.8135.9174.7-71.5-179.7168.700110.4I78 L79 G80 Y81 Y109 K122I78-E107 HydrophobicContact CG2-CB 4.48Å; I78-E107 VanDerWaalsContact CG2-CD 3.46Å; I78-E107 HydrophobicContact CG2-CG 3.86Å; I78-E107 WeakPolarHBondContact CG2-OE2 3.38Å; L79-E107 PolarHBondContact O-N 2.85Å; G80-E107 CarbonylContact C-O 3.53Å; G80-E107 VanDerWaalsContact CA-O 3.29Å; G80-E107 WeakPolarHBondContact CA-O 3.07Å; Y81-E107 PolarHBondContact N-O 2.71Å; E107-Y109 HydrophobicContact CB-CD2 4.42Å; E107-Y109 HydrophobicContact CB-CE2 3.54Å; E107-Y109 PolarHBondContact OE2-OH 3.1Å; E107-K122 IonicContact OE1-NZ 2.87Å; E107-K122 PolarHBondContact OE1-NZ 3.29Å; E107-K122 IonicContact OE2-NZ 2.65Å
108E92.1Very high83.6Confident112 Ų11267.2 Ų67.252%0.52335%0.354SS..EExtended strand (participates in β ladder)trans-100131.1-174.8-57-161.8178.100110.9Y81 V84Y81-E108 HydrophobicContact CE1-CB 4.48Å; Y81-E108 HydrophobicContact CE1-CG 3.77Å; Y81-E108 WeakPolarHBondContact OH-CG 3.34Å; Y81-E108 PolarHBondContact OH-OE1 2.95Å; V84-E108 HydrophobicContact CG2-CB 3.69Å
109Y92.7Very high83.9Confident17 Ų1764 Ų647%0.06734%0.338CS..  trans-130.5130.4-177.7-66-78.9000113.4Y81 T82 V84 E107 N111 E114 M115 S118 F126Y81-Y109 PolarHBondContact O-N 3.23Å; T82-Y109 WeakPolarHBondContact CA-O 3.29Å; T82-Y109 VanDerWaalsContact CB-O 3.31Å; T82-Y109 WeakPolarHBondContact CB-O 3.31Å; T82-Y109 PolarHBondContact OG1-O 3.34Å; V84-Y109 WeakPolarHBondContact CG2-O 3.45Å; E107-Y109 HydrophobicContact CB-CD2 4.42Å; E107-Y109 HydrophobicContact CB-CE2 3.54Å; E107-Y109 PolarHBondContact OE2-OH 3.1Å; Y109-N111 PolarHBondContact O-N 2.91Å; Y109-E114 HydrophobicContact CD1-CB 4.3Å; Y109-E114 HydrophobicContact CD1-CG 3.92Å; Y109-E114 HydrophobicContact CE1-CG 4.48Å; Y109-M115 HydrophobicContact CD1-CB 4.17Å; Y109-M115 HydrophobicContact CD2-CB 3.92Å; Y109-M115 HydrophobicContact CD2-CG 3.67Å; Y109-M115 HydrophobicContact CE2-CG 4.05Å; Y109-M115 HydrophobicContact CG-CB 3.71Å; Y109-M115 HydrophobicContact CG-CG 4.03Å; Y109-S118 VanDerWaalsContact CE1-OG 3.29Å; Y109-S118 WeakPolarHBondContact CE1-OG 3.29Å; Y109-S118 WeakPolarHBondContact OH-CB 3.29Å; Y109-S118 PolarHBondContact OH-OG 2.77Å; Y109-F126 HydrophobicContact CE2-CE2 4.03Å; Y109-F126 AromaticContact CE2-CZ 3.94Å; Y109-F126 HydrophobicContact CE2-CZ 3.94Å
110T91.3Very high84.1Confident84 Ų8470.2 Ų70.252%0.51537%0.37SS..SBendtrans-68.1-38.5-179.563.30000112.2E114T110-E114 PolarHBondContact N-OE2 3.42Å; T110-E114 PolarHBondContact OG1-OE2 2.87Å
111N92.3Very high84.4Confident103 Ų10374.2 Ų74.255%0.55140%0.399SS*.SBendtrans-135.4151.5-175.3-67-63.1000111.5Y109 K113 E114 M115Y109-N111 PolarHBondContact O-N 2.91Å; N111-K113 VanDerWaalsContact C-N 3.26Å; N111-K113 PolarHBondContact O-N 2.69Å; N111-E114 WeakPolarHBondContact O-CB 3.3Å; N111-E114 PolarHBondContact O-N 2.66Å; N111-E114 VanDerWaalsContact O-N 3.14Å; N111-M115 PolarHBondContact O-N 2.91Å
112E92.4Very high85Confident74 Ų7474.7 Ų74.735%0.34639%0.394SS..Hα-helixtrans-57.3-37.2175.7-167.9-169.713500113.1T82 E114 M115 L116 V130 R140T82-E112 HydrophobicContact CG2-CB 4.37Å; E112-E114 VanDerWaalsContact C-N 3.33Å; E112-E114 PolarHBondContact O-N 3.41Å; E112-M115 HydrophobicContact CG-CE 4.43Å; E112-M115 PolarHBondContact O-N 3.38Å; E112-L116 HydrophobicContact CG-CD1 4.35Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.04Å; E112-L116 PolarHBondContact O-N 2.93Å; E112-V130 HydrophobicContact CG-CG2 4.21Å; E112-R140 VanDerWaalsContact CD-NH2 3.3Å; E112-R140 IonicContact OE1-CZ 2.85Å; E112-R140 IonicContact OE1-NH1 2.57Å; E112-R140 PolarHBondContact OE1-NH1 3.35Å; E112-R140 IonicContact OE1-NH2 2.68Å; E112-R140 PolarHBondContact OE1-NH2 3.34Å; E112-R140 IonicContact OE2-NH2 2.83Å
113K91.6Very high85.3Confident174 Ų17469.4 Ų69.476%0.75737%0.369SS*.Hα-helixtrans-62.6-39.4178.8-66.6-178.6-178.6176.60112.5N111 L116 T117N111-K113 VanDerWaalsContact C-N 3.26Å; N111-K113 PolarHBondContact O-N 2.69Å; K113-L116 PolarHBondContact O-N 3.47Å; K113-T117 PolarHBondContact O-N 3.21Å; K113-T117 PolarHBondContact O-OG1 3.01Å
114E91.2Very high85.6Confident85 Ų8572.4 Ų72.440%0.39739%0.391SS..Hα-helixtrans-68.8-40.8179.8-170.5-176.2-168.800111Y109 T110 N111 E112 T117 S118Y109-E114 HydrophobicContact CD1-CB 4.3Å; Y109-E114 HydrophobicContact CD1-CG 3.92Å; Y109-E114 HydrophobicContact CE1-CG 4.48Å; T110-E114 PolarHBondContact N-OE2 3.42Å; T110-E114 PolarHBondContact OG1-OE2 2.87Å; N111-E114 WeakPolarHBondContact O-CB 3.3Å; N111-E114 PolarHBondContact O-N 2.66Å; N111-E114 VanDerWaalsContact O-N 3.14Å; E112-E114 VanDerWaalsContact C-N 3.33Å; E112-E114 PolarHBondContact O-N 3.41Å; E114-T117 WeakPolarHBondContact CA-OG1 3.39Å; E114-T117 PolarHBondContact O-N 3.43Å; E114-T117 PolarHBondContact O-OG1 3.26Å; E114-S118 PolarHBondContact O-N 3.18Å; E114-S118 VanDerWaalsContact O-N 3.1Å; E114-S118 PolarHBondContact O-OG 2.65Å
115M91.6Very high86.1Confident2 Ų275 Ų751%0.0141%0.405CS..Hα-helixtrans-62-43.8173.3-170.1-173.566.600111.2T82 Y109 N111 E112 S118 S119 F126 V130T82-M115 HydrophobicContact CG2-CE 4.1Å; T82-M115 HydrophobicContact CG2-SD 3.93Å; Y109-M115 HydrophobicContact CD1-CB 4.17Å; Y109-M115 HydrophobicContact CD2-CB 3.92Å; Y109-M115 HydrophobicContact CD2-CG 3.67Å; Y109-M115 HydrophobicContact CE2-CG 4.05Å; Y109-M115 HydrophobicContact CG-CB 3.71Å; Y109-M115 HydrophobicContact CG-CG 4.03Å; N111-M115 PolarHBondContact O-N 2.91Å; E112-M115 HydrophobicContact CG-CE 4.43Å; E112-M115 PolarHBondContact O-N 3.38Å; M115-S118 PolarHBondContact O-N 3.26Å; M115-S119 VanDerWaalsContact O-CB 3.29Å; M115-S119 WeakPolarHBondContact O-CB 3.37Å; M115-S119 PolarHBondContact O-N 3.39Å; M115-F126 HydrophobicContact CG-CE1 3.98Å; M115-F126 HydrophobicContact CG-CZ 3.67Å; M115-V130 HydrophobicContact CE-CG2 3.5Å
116L89.8Confident86.5Confident69 Ų6970.3 Ų70.336%0.36138%0.381SS..Hα-helixtrans-64.1-42.2177.8-73.8174000112.5E112 K113 S118 S119 L120E112-L116 HydrophobicContact CG-CD1 4.35Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.04Å; E112-L116 PolarHBondContact O-N 2.93Å; K113-L116 PolarHBondContact O-N 3.47Å; L116-S118 VanDerWaalsContact C-N 3.27Å; L116-S118 PolarHBondContact O-N 3.14Å; L116-S119 WeakPolarHBondContact O-CB 3.26Å; L116-S119 PolarHBondContact O-N 2.05Å; L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 3.01Å; L116-L120 VanDerWaalsContact O-N 3.13Å
117T89.6Confident86.8Confident90 Ų9067.8 Ų67.855%0.55237%0.365SS*.Hα-helixtrans-62.7-36.817645.50000112.3K113 E114K113-T117 PolarHBondContact O-N 3.21Å; K113-T117 PolarHBondContact O-OG1 3.01Å; E114-T117 WeakPolarHBondContact CA-OG1 3.39Å; E114-T117 PolarHBondContact O-N 3.43Å; E114-T117 PolarHBondContact O-OG1 3.26Å
118S85.7Confident86.9Confident29 Ų2965.8 Ų65.820%0.20336%0.356CS..Hα-helixtrans-74.3-38.5178.9-54.90000111.6Y109 E114 M115 L116 L120 S121 K122Y109-S118 VanDerWaalsContact CE1-OG 3.29Å; Y109-S118 WeakPolarHBondContact CE1-OG 3.29Å; Y109-S118 WeakPolarHBondContact OH-CB 3.29Å; Y109-S118 PolarHBondContact OH-OG 2.77Å; E114-S118 PolarHBondContact O-N 3.18Å; E114-S118 VanDerWaalsContact O-N 3.1Å; E114-S118 PolarHBondContact O-OG 2.65Å; M115-S118 PolarHBondContact O-N 3.26Å; L116-S118 VanDerWaalsContact C-N 3.27Å; L116-S118 PolarHBondContact O-N 3.14Å; S118-L120 VanDerWaalsContact C-N 3.31Å; S118-L120 PolarHBondContact O-N 3.49Å; S118-S121 WeakPolarHBondContact O-CB 3.38Å; S118-S121 PolarHBondContact O-N 3.46Å; S118-S121 PolarHBondContact O-OG 3.06Å; S118-K122 PolarHBondContact O-N 3.19Å
119S85.8Confident87Confident17 Ų1760.5 Ų60.512%0.11933%0.331CS..Hα-helixtrans-55.4-43.9172.8177.10000112.1M115 L116 S121 K122 F126 F142M115-S119 VanDerWaalsContact O-CB 3.29Å; M115-S119 WeakPolarHBondContact O-CB 3.37Å; M115-S119 PolarHBondContact O-N 3.39Å; L116-S119 WeakPolarHBondContact O-CB 3.26Å; L116-S119 PolarHBondContact O-N 2.05Å; S119-S121 PolarHBondContact O-N 3.1Å; S119-K122 CarbonylContact O-C 3.46Å; S119-K122 VanDerWaalsContact O-C 3.28Å; S119-K122 PolarHBondContact O-N 3.41Å; S119-F126 VanDerWaalsContact CB-CD1 3.44Å; S119-F126 WeakPolarHBondContact OG-CD1 3.12Å; S119-F142 WeakPolarHBondContact O-CZ 3.17Å; S119-F142 WeakPolarHBondContact OG-CE2 3.23Å; S119-F142 WeakPolarHBondContact OG-CZ 3.48Å
120L85.4Confident87.2Confident132 Ų13260.2 Ų60.269%0.69133%0.331SS*.Hα-helixtrans-62.1-26.6177.2-69.1172.6000113.7L116 S118L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 3.01Å; L116-L120 VanDerWaalsContact O-N 3.13Å; S118-L120 VanDerWaalsContact C-N 3.31Å; S118-L120 PolarHBondContact O-N 3.49Å
121S84.1Confident87.3Confident85 Ų8556.6 Ų56.659%0.59431%0.309SS*.Hα-helixtrans-79.3-18.3177.174.40000113.4S118 S119S118-S121 WeakPolarHBondContact O-CB 3.38Å; S118-S121 PolarHBondContact O-N 3.46Å; S118-S121 PolarHBondContact O-OG 3.06Å; S119-S121 PolarHBondContact O-N 3.1Å
122K81.1Confident87.4Confident81 Ų8157.8 Ų57.835%0.35231%0.309SS..SBendtrans-137.361.8-176.5-57.1179.8-163.6170.20111.6I78 E107 S118 S119 S124 F126I78-K122 HydrophobicContact CD1-CD 3.45Å; I78-K122 VanDerWaalsContact CD1-CD 3.45Å; E107-K122 IonicContact OE1-NZ 2.87Å; E107-K122 PolarHBondContact OE1-NZ 3.29Å; E107-K122 IonicContact OE2-NZ 2.65Å; S118-K122 PolarHBondContact O-N 3.19Å; S119-K122 CarbonylContact O-C 3.46Å; S119-K122 VanDerWaalsContact O-C 3.28Å; S119-K122 PolarHBondContact O-N 3.41Å; K122-S124 PolarHBondContact O-N 3.22Å; K122-F126 WeakPolarHBondContact O-CB 3.46Å; K122-F126 PolarHBondContact O-N 3.05Å
123P69.2Low87.1Confident65 Ų6559.6 Ų59.642%0.42232%0.321SS..THydrogen-bonded Turntrans-70.4-29.8-165.326.9-35.4000115.2N125 F142P123-N125 PolarHBondContact O-N 2.63Å; P123-F142 VanDerWaalsContact CA-CE2 3.49Å; P123-F142 HydrophobicContact CB-CD1 4.03Å; P123-F142 HydrophobicContact CB-CE1 3.54Å; P123-F142 HydrophobicContact CB-CE2 4.19Å; P123-F142 HydrophobicContact CB-CZ 3.64Å; P123-F142 WeakPolarHBondContact O-CD2 3.38Å; P123-F142 VanDerWaalsContact O-CE2 3.23Å; P123-F142 WeakPolarHBondContact O-CE2 3.12Å; P123-F142 WeakPolarHBondContact O-CG 3.18Å
124S70.1Confident86.8Confident90 Ų9053.3 Ų53.363%0.62930%0.299SS*.THydrogen-bonded Turntrans-80.9-15.7-171.765.80000114.7K122 M145K122-S124 PolarHBondContact O-N 3.22Å; S124-M145 WeakPolarHBondContact O-CE 3.45Å
125N80.1Confident86.7Confident69 Ų6954.6 Ų54.637%0.36931%0.306SS..THydrogen-bonded Turntrans-133.610.2-170.4-61.614.2000112.5N76 L77 I78 P123N76-N125 PolarHBondContact O-ND2 3.45Å; L77-N125 WeakPolarHBondContact CD1-O 3.34Å; I78-N125 PolarHBondContact N-O 2.57Å; P123-N125 PolarHBondContact O-N 2.63Å
126F87.9Confident86.8Confident3 Ų356.9 Ų56.91%0.01332%0.323CS..EExtended strand (participates in β ladder)trans-106.6131.3-174.1-174-81.3000111.9I78 Y109 M115 S119 K122 F142I78-F126 HydrophobicContact CB-CD2 4.13Å; I78-F126 HydrophobicContact CG2-CD2 3.76Å; I78-F126 HydrophobicContact CG2-CE2 4.08Å; I78-F126 CarbonylContact O-C 3.56Å; I78-F126 WeakPolarHBondContact O-CA 3.4Å; Y109-F126 HydrophobicContact CE2-CE2 4.03Å; Y109-F126 AromaticContact CE2-CZ 3.94Å; Y109-F126 HydrophobicContact CE2-CZ 3.94Å; M115-F126 HydrophobicContact CG-CE1 3.98Å; M115-F126 HydrophobicContact CG-CZ 3.67Å; S119-F126 VanDerWaalsContact CB-CD1 3.44Å; S119-F126 WeakPolarHBondContact OG-CD1 3.12Å; K122-F126 WeakPolarHBondContact O-CB 3.46Å; K122-F126 PolarHBondContact O-N 3.05Å; F126-F142 HydrophobicContact CB-CE2 4.2Å; F126-F142 WeakPolarHBondContact O-CD2 3.1Å
127V89.9Confident87Confident0 Ų055.5 Ų55.50%031%0.313CS..EExtended strand (participates in β ladder)trans-125.2130.5172174.80000108.9L77 I78 L79 G80 R140 F141 L176L77-V127 HydrophobicContact CD1-CG2 3.87Å; L77-V127 HydrophobicContact CD2-CB 4.07Å; L77-V127 HydrophobicContact CD2-CG2 3.72Å; L77-V127 HydrophobicContact CG-CG2 4.09Å; I78-V127 PolarHBondContact O-N 3.14Å; L79-V127 CarbonylContact C-O 3.28Å; L79-V127 WeakPolarHBondContact CA-O 3.33Å; L79-V127 HydrophobicContact CD1-CB 4.06Å; L79-V127 HydrophobicContact CD1-CG1 3.91Å; G80-V127 PolarHBondContact N-O 3.37Å; V127-R140 WeakPolarHBondContact CA-O 3.49Å; V127-F141 HydrophobicContact CB-CE1 4.33Å; V127-F141 HydrophobicContact CB-CZ 4.48Å; V127-F141 HydrophobicContact CG1-CD1 4.28Å; V127-F141 HydrophobicContact CG1-CD2 4.07Å; V127-F141 HydrophobicContact CG1-CE1 3.96Å; V127-F141 HydrophobicContact CG1-CE2 3.7Å; V127-F141 HydrophobicContact CG1-CG 4.35Å; V127-F141 HydrophobicContact CG1-CZ 3.65Å; V127-F141 HydrophobicContact CG2-CD1 3.46Å; V127-F141 VanDerWaalsContact CG2-CD1 3.46Å; V127-F141 HydrophobicContact CG2-CE1 3.36Å; V127-F141 HydrophobicContact CG2-CG 4.14Å; V127-F141 HydrophobicContact CG2-CZ 3.96Å; V127-L176 HydrophobicContact CG1-CD2 3.72Å
128G91.8Very high87.2Confident1 Ų154.6 Ų54.61%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-98.3137.1178.100000112G80 L139 R140G80-G128 CarbonylContact O-C 3.6Å; G80-G128 WeakPolarHBondContact O-CA 3.45Å; G128-L139 CarbonylContact O-C 3.46Å; G128-L139 WeakPolarHBondContact O-CA 2.86Å; G128-R140 PolarHBondContact N-O 3.36Å; G128-R140 PolarHBondContact O-N 2.95Å
129V93.9Very high87.5Confident0 Ų054.9 Ų54.90%030%0.301CS..EExtended strand (participates in β ladder)trans-114.5111.9170.1-1690000108.5L79 G80 Y81 T82 F131 Y137 L139 I180L79-V129 HydrophobicContact CD1-CG2 3.45Å; L79-V129 VanDerWaalsContact CD1-CG2 3.45Å; L79-V129 HydrophobicContact CG-CG2 4.03Å; G80-V129 PolarHBondContact O-N 3.13Å; Y81-V129 CarbonylContact C-O 3.59Å; Y81-V129 VanDerWaalsContact CA-O 3.26Å; Y81-V129 WeakPolarHBondContact CA-O 3.26Å; T82-V129 PolarHBondContact N-O 3.37Å; V129-F131 HydrophobicContact CB-CE2 4.24Å; V129-F131 HydrophobicContact CG1-CD2 4.04Å; V129-F131 HydrophobicContact CG1-CE1 4.36Å; V129-F131 HydrophobicContact CG1-CE2 3.54Å; V129-F131 HydrophobicContact CG1-CZ 3.72Å; V129-Y137 HydrophobicContact CG1-CD2 4.07Å; V129-Y137 HydrophobicContact CG1-CG 4.41Å; V129-L139 HydrophobicContact CB-CD2 4.36Å; V129-L139 HydrophobicContact CG1-CD2 4.16Å; V129-L139 HydrophobicContact CG2-CD2 3.76Å; V129-I180 HydrophobicContact CG1-CD1 4.22Å; V129-I180 HydrophobicContact CG2-CD1 4.17Å
130V95.7Very high87.7Confident11 Ų1158 Ų587%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-103.4102.9177.6-174.50000108.6T82 E112 M115 K132 Y137 E138T82-V130 HydrophobicContact CG2-CB 4.37Å; T82-V130 HydrophobicContact CG2-CG1 4.21Å; T82-V130 HydrophobicContact CG2-CG2 4.05Å; T82-V130 CarbonylContact O-C 3.58Å; T82-V130 WeakPolarHBondContact O-CA 3.48Å; E112-V130 HydrophobicContact CG-CG2 4.21Å; M115-V130 HydrophobicContact CE-CG2 3.5Å; V130-K132 PolarHBondContact O-N 3.4Å; V130-Y137 CarbonylContact O-C 3.59Å; V130-Y137 VanDerWaalsContact O-CA 3.24Å; V130-Y137 WeakPolarHBondContact O-CA 2.92Å; V130-E138 HydrophobicContact CB-CB 4.36Å; V130-E138 PolarHBondContact N-O 2.9Å; V130-E138 PolarHBondContact O-N 2.89Å
131F94.8Very high87.8Confident9 Ų953.6 Ų53.64%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-76122.9173.7-68.9-84.6000109.8Y81 T82 P83 T88 I91 M92 V129 Y137 I180Y81-F131 HydrophobicContact CD2-CE2 4.48Å; T82-F131 PolarHBondContact O-N 3.49Å; P83-F131 VanDerWaalsContact CD-O 3.25Å; P83-F131 WeakPolarHBondContact CD-O 3.5Å; T88-F131 HydrophobicContact CG2-CB 3.67Å; T88-F131 HydrophobicContact CG2-CD1 4.04Å; T88-F131 HydrophobicContact CG2-CD2 3.61Å; T88-F131 HydrophobicContact CG2-CE2 4.23Å; T88-F131 HydrophobicContact CG2-CG 3.5Å; T88-F131 VanDerWaalsContact CG2-CG 3.5Å; I91-F131 HydrophobicContact CD1-CE1 4.24Å; I91-F131 HydrophobicContact CG2-CE1 4.46Å; I91-F131 HydrophobicContact CG2-CZ 4.21Å; M92-F131 HydrophobicContact CG-CE2 4.06Å; M92-F131 HydrophobicContact CG-CZ 4.28Å; M92-F131 HydrophobicContact SD-CE2 4.01Å; M92-F131 HydrophobicContact SD-CZ 3.92Å; V129-F131 HydrophobicContact CB-CE2 4.24Å; V129-F131 HydrophobicContact CG1-CD2 4.04Å; V129-F131 HydrophobicContact CG1-CE1 4.36Å; V129-F131 HydrophobicContact CG1-CE2 3.54Å; V129-F131 HydrophobicContact CG1-CZ 3.72Å; F131-Y137 HydrophobicContact CE1-CG 4.41Å; F131-I180 HydrophobicContact CE1-CG2 4.46Å
132K93.1Very high87.9Confident127 Ų12751.5 Ų51.555%0.55227%0.266SS*.EExtended strand (participates in β ladder)trans-88.1-42.6171.1-73-178.3163.1176.10110.9V130 S136 E138V130-K132 PolarHBondContact O-N 3.4Å; K132-S136 PolarHBondContact N-O 3.2Å; K132-E138 HydrophobicContact CD-CG 4.36Å; K132-E138 VanDerWaalsContact CE-CD 3.44Å; K132-E138 WeakPolarHBondContact CE-OE1 3.13Å; K132-E138 IonicContact NZ-OE1 2.66Å; K132-E138 PolarHBondContact NZ-OE1 2.98Å
133D87.9Confident87.8Confident112 Ų11252.3 Ų52.360%0.59928%0.28SS*.EExtended strand (participates in β ladder)trans-141.3176.6-179.6-69.3-51.5000110.3M135 S136D133-M135 PolarHBondContact O-N 3.25Å; D133-S136 PolarHBondContact N-O 3.24Å; D133-S136 VanDerWaalsContact N-O 3.13Å; D133-S136 PolarHBondContact O-N 2.85Å; D133-S136 VanDerWaalsContact O-O 3.12Å
134S84.7Confident88.4Confident43 Ų4357 Ų5730%0.30130%0.301SS..THydrogen-bonded Turntrans-62.8-1317670.40000115.2K188S134-K188 PolarHBondContact OG-NZ 3.31Å
135M88.3Confident88.9Confident111 Ų11155.1 Ų55.155%0.54728%0.283SS..THydrogen-bonded Turntrans-128.9-0.2-178.9-56.9-65.7-82.700112.8D133 I184 K188D133-M135 PolarHBondContact O-N 3.25Å; M135-I184 HydrophobicContact CE-CG2 3.86Å; M135-I184 HydrophobicContact SD-CG2 3.35Å; M135-I184 WeakPolarHBondContact SD-CG2 3.22Å; M135-K188 HydrophobicContact CE-CG 4.17Å; M135-K188 HydrophobicContact SD-CD 4.14Å; M135-K188 WeakPolarHBondContact SD-CE 3.44Å; M135-K188 HydrophobicContact SD-CG 3.78Å
136S93.3Very high89.1Confident51 Ų5152.6 Ų52.636%0.35727%0.27SS..EExtended strand (participates in β ladder)trans-128.9128.8-175.2-1760000109.5K132 D133K132-S136 PolarHBondContact N-O 3.2Å; D133-S136 PolarHBondContact N-O 3.24Å; D133-S136 VanDerWaalsContact N-O 3.13Å; D133-S136 PolarHBondContact O-N 2.85Å; D133-S136 VanDerWaalsContact O-O 3.12Å
137Y94.8Very high88.9Confident39 Ų3953.3 Ų53.315%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-142.9160.2178.465.7-84.6000111V129 V130 F131 L139 Q177 I180 D181 I184V129-Y137 HydrophobicContact CG1-CD2 4.07Å; V129-Y137 HydrophobicContact CG1-CG 4.41Å; V130-Y137 CarbonylContact O-C 3.59Å; V130-Y137 VanDerWaalsContact O-CA 3.24Å; V130-Y137 WeakPolarHBondContact O-CA 2.92Å; F131-Y137 HydrophobicContact CE1-CG 4.41Å; Y137-L139 HydrophobicContact CD2-CD2 3.96Å; Y137-L139 HydrophobicContact CD2-CG 3.96Å; Y137-L139 HydrophobicContact CE2-CD1 3.98Å; Y137-L139 HydrophobicContact CE2-CD2 3.86Å; Y137-L139 HydrophobicContact CE2-CG 3.68Å; Y137-Q177 WeakPolarHBondContact OH-CG 3.33Å; Y137-Q177 PolarHBondContact OH-O 3.13Å; Y137-I180 HydrophobicContact CD1-CG2 3.95Å; Y137-I180 HydrophobicContact CD2-CD1 4.44Å; Y137-I180 HydrophobicContact CD2-CG2 4.47Å; Y137-I180 HydrophobicContact CE1-CB 4.4Å; Y137-I180 HydrophobicContact CE1-CG2 3.59Å; Y137-I180 HydrophobicContact CE2-CB 4.46Å; Y137-I180 HydrophobicContact CE2-CD1 4.01Å; Y137-I180 HydrophobicContact CE2-CG2 4.13Å; Y137-I180 HydrophobicContact CG-CG2 4.38Å; Y137-D181 WeakPolarHBondContact CE1-OD1 3.45Å; Y137-D181 PolarHBondContact OH-OD1 3.48Å; Y137-I184 HydrophobicContact CD1-CD1 4.06Å; Y137-I184 HydrophobicContact CE1-CD1 4.06Å
138E93.8Very high88.4Confident71 Ų7158.9 Ų58.933%0.33231%0.308SS..EExtended strand (participates in β ladder)trans-120.2131.8172.9-60.5-174.515600109.1V130 K132V130-E138 HydrophobicContact CB-CB 4.36Å; V130-E138 PolarHBondContact N-O 2.9Å; V130-E138 PolarHBondContact O-N 2.89Å; K132-E138 HydrophobicContact CD-CG 4.36Å; K132-E138 VanDerWaalsContact CE-CD 3.44Å; K132-E138 WeakPolarHBondContact CE-OE1 3.13Å; K132-E138 IonicContact NZ-OE1 2.66Å; K132-E138 PolarHBondContact NZ-OE1 2.98Å
139L91.8Very high87.7Confident35 Ų3563.5 Ų63.518%0.18334%0.341CS..EExtended strand (participates in β ladder)trans-93.9133.2172.5-63.3174.9000109.8G128 V129 Y137 F141 F173 L176 Q177 I180G128-L139 CarbonylContact O-C 3.46Å; G128-L139 WeakPolarHBondContact O-CA 2.86Å; V129-L139 HydrophobicContact CB-CD2 4.36Å; V129-L139 HydrophobicContact CG1-CD2 4.16Å; V129-L139 HydrophobicContact CG2-CD2 3.76Å; Y137-L139 HydrophobicContact CD2-CD2 3.96Å; Y137-L139 HydrophobicContact CD2-CG 3.96Å; Y137-L139 HydrophobicContact CE2-CD1 3.98Å; Y137-L139 HydrophobicContact CE2-CD2 3.86Å; Y137-L139 HydrophobicContact CE2-CG 3.68Å; L139-F141 HydrophobicContact CB-CD2 4.08Å; L139-F141 HydrophobicContact CB-CE2 3.75Å; L139-F141 HydrophobicContact CD1-CE2 4.13Å; L139-F141 HydrophobicContact CG-CE2 4.43Å; L139-F173 HydrophobicContact CB-CE2 4.24Å; L139-F173 HydrophobicContact CD1-CD2 4.19Å; L139-F173 HydrophobicContact CD1-CE2 3.74Å; L139-F173 HydrophobicContact CD1-CZ 4.24Å; L139-L176 HydrophobicContact CD1-CD2 4.37Å; L139-L176 HydrophobicContact CD2-CD2 3.96Å; L139-L176 HydrophobicContact CD2-CG 4.5Å; L139-Q177 HydrophobicContact CD1-CB 4.32Å; L139-I180 HydrophobicContact CD2-CD1 3.88Å
140R89.8Confident86.6Confident82 Ų8267.2 Ų67.231%0.30937%0.366SS..EExtended strand (participates in β ladder)trans-117110.4177.7-65.5-165.8174.3-174.55.6109.5E112 V127 G128E112-R140 VanDerWaalsContact CD-NH2 3.3Å; E112-R140 IonicContact OE1-CZ 2.85Å; E112-R140 IonicContact OE1-NH1 2.57Å; E112-R140 PolarHBondContact OE1-NH1 3.35Å; E112-R140 IonicContact OE1-NH2 2.68Å; E112-R140 PolarHBondContact OE1-NH2 3.34Å; E112-R140 IonicContact OE2-NH2 2.83Å; V127-R140 WeakPolarHBondContact CA-O 3.49Å; G128-R140 PolarHBondContact N-O 3.36Å; G128-R140 PolarHBondContact O-N 2.95Å
141F87.8Confident85.6Confident41 Ų4174.9 Ų74.918%0.1841%0.405CS..  trans-107.9154.8174.8-75.4-101.5000110V127 L139 M145 I146 F173 L176V127-F141 HydrophobicContact CB-CE1 4.33Å; V127-F141 HydrophobicContact CB-CZ 4.48Å; V127-F141 HydrophobicContact CG1-CD1 4.28Å; V127-F141 HydrophobicContact CG1-CD2 4.07Å; V127-F141 HydrophobicContact CG1-CE1 3.96Å; V127-F141 HydrophobicContact CG1-CE2 3.7Å; V127-F141 HydrophobicContact CG1-CG 4.35Å; V127-F141 HydrophobicContact CG1-CZ 3.65Å; V127-F141 HydrophobicContact CG2-CD1 3.46Å; V127-F141 VanDerWaalsContact CG2-CD1 3.46Å; V127-F141 HydrophobicContact CG2-CE1 3.36Å; V127-F141 HydrophobicContact CG2-CG 4.14Å; V127-F141 HydrophobicContact CG2-CZ 3.96Å; L139-F141 HydrophobicContact CB-CD2 4.08Å; L139-F141 HydrophobicContact CB-CE2 3.75Å; L139-F141 HydrophobicContact CD1-CE2 4.13Å; L139-F141 HydrophobicContact CG-CE2 4.43Å; F141-M145 HydrophobicContact CD1-CB 4.4Å; F141-M145 HydrophobicContact CD1-SD 4.09Å; F141-I146 HydrophobicContact CB-CB 4.45Å; F141-I146 HydrophobicContact CB-CD1 3.76Å; F141-I146 HydrophobicContact CB-CG1 4.06Å; F141-I146 HydrophobicContact CD1-CD1 3.28Å; F141-I146 HydrophobicContact CD1-CG1 3.84Å; F141-I146 HydrophobicContact CD2-CD1 3.5Å; F141-I146 HydrophobicContact CE1-CD1 3.59Å; F141-I146 HydrophobicContact CE1-CG1 4.41Å; F141-I146 HydrophobicContact CE2-CD1 3.8Å; F141-I146 HydrophobicContact CG-CD1 3.22Å; F141-I146 HydrophobicContact CG-CG1 3.96Å; F141-I146 HydrophobicContact CZ-CD1 3.84Å; F141-F173 AromaticContact CD2-CD2 3.94Å; F141-F173 HydrophobicContact CD2-CD2 3.94Å; F141-F173 HydrophobicContact CD2-CE2 4.34Å; F141-F173 AromaticContact CE2-CD2 3.38Å; F141-F173 HydrophobicContact CE2-CD2 3.38Å; F141-F173 AromaticContact CE2-CE2 3.93Å; F141-F173 HydrophobicContact CE2-CE2 3.93Å; F141-F173 HydrophobicContact CE2-CG 4.44Å; F141-F173 HydrophobicContact CZ-CB 4.3Å; F141-F173 AromaticContact CZ-CD2 3.83Å; F141-F173 HydrophobicContact CZ-CD2 3.83Å; F141-L176 HydrophobicContact CE2-CD2 4.33Å; F141-L176 HydrophobicContact CZ-CD2 3.85Å
142F85.4Confident84.5Confident41 Ų4183.8 Ų83.818%0.1844%0.44CS..  trans-67.6142.5168.7-83.8-88.7000110.5S119 P123 F126 D144 M145S119-F142 WeakPolarHBondContact O-CZ 3.17Å; S119-F142 WeakPolarHBondContact OG-CE2 3.23Å; S119-F142 WeakPolarHBondContact OG-CZ 3.48Å; P123-F142 VanDerWaalsContact CA-CE2 3.49Å; P123-F142 HydrophobicContact CB-CD1 4.03Å; P123-F142 HydrophobicContact CB-CE1 3.54Å; P123-F142 HydrophobicContact CB-CE2 4.19Å; P123-F142 HydrophobicContact CB-CZ 3.64Å; P123-F142 WeakPolarHBondContact O-CD2 3.38Å; P123-F142 VanDerWaalsContact O-CE2 3.23Å; P123-F142 WeakPolarHBondContact O-CE2 3.12Å; P123-F142 WeakPolarHBondContact O-CG 3.18Å; F126-F142 HydrophobicContact CB-CE2 4.2Å; F126-F142 WeakPolarHBondContact O-CD2 3.1Å; F142-D144 PolarHBondContact O-N 3.4Å; F142-M145 HydrophobicContact CB-CE 4.28Å; F142-M145 HydrophobicContact CB-CG 4.39Å; F142-M145 HydrophobicContact CD2-CE 4.39Å; F142-M145 PolarHBondContact O-N 3.08Å
143P80.9Confident83Confident97 Ų9786.9 Ų86.963%0.6346%0.459SS*.THydrogen-bonded Turntrans-54.8-25.4-176.9-27.935.3000114.9
144D81Confident81.7Confident164 Ų16487.9 Ų87.988%0.87746%0.464SS*.THydrogen-bonded Turntrans-80.8-15.6-178.8-60.3-29.2000113.5F142F142-D144 PolarHBondContact O-N 3.4Å
145M79.8Confident80.6Confident51 Ų5189.4 Ų89.425%0.25148%0.475SS..THydrogen-bonded Turntrans-88-31.1-177.5-65.7-170.5-166.300113.5S124 F141 F142S124-M145 WeakPolarHBondContact O-CE 3.45Å; F141-M145 HydrophobicContact CD1-CB 4.4Å; F141-M145 HydrophobicContact CD1-SD 4.09Å; F142-M145 HydrophobicContact CB-CE 4.28Å; F142-M145 HydrophobicContact CB-CG 4.39Å; F142-M145 HydrophobicContact CD2-CE 4.39Å; F142-M145 PolarHBondContact O-N 3.08Å
146I85.2Confident79.2Confident16 Ų1690 Ų908%0.08247%0.471CS..SBendtrans-142.2137-169.5-59.6-170000108.6F141 Y168 F173F141-I146 HydrophobicContact CB-CB 4.45Å; F141-I146 HydrophobicContact CB-CD1 3.76Å; F141-I146 HydrophobicContact CB-CG1 4.06Å; F141-I146 HydrophobicContact CD1-CD1 3.28Å; F141-I146 HydrophobicContact CD1-CG1 3.84Å; F141-I146 HydrophobicContact CD2-CD1 3.5Å; F141-I146 HydrophobicContact CE1-CD1 3.59Å; F141-I146 HydrophobicContact CE1-CG1 4.41Å; F141-I146 HydrophobicContact CE2-CD1 3.8Å; F141-I146 HydrophobicContact CG-CD1 3.22Å; F141-I146 HydrophobicContact CG-CG1 3.96Å; F141-I146 HydrophobicContact CZ-CD1 3.84Å; I146-Y168 HydrophobicContact CG2-CD1 3.43Å; I146-Y168 VanDerWaalsContact CG2-CD1 3.43Å; I146-Y168 HydrophobicContact CG2-CE1 3.03Å; I146-Y168 HydrophobicContact CG2-CE2 4.46Å; I146-Y168 HydrophobicContact CG2-CG 4.29Å; I146-F173 HydrophobicContact CD1-CB 3.6Å; I146-F173 HydrophobicContact CD1-CD2 3.44Å; I146-F173 VanDerWaalsContact CD1-CD2 3.44Å; I146-F173 HydrophobicContact CD1-CE2 4.43Å; I146-F173 HydrophobicContact CD1-CG 3.85Å
147P83.1Confident77.3Confident18 Ų1890 Ų9012%0.11747%0.473CS..  trans-61.4145.6176.225.9-33.3000111S149 E164 Q167 Y168P147-S149 PolarHBondContact O-N 3.1Å; P147-E164 HydrophobicContact CB-CB 4.07Å; P147-E164 HydrophobicContact CB-CG 4.38Å; P147-E164 HydrophobicContact CG-CB 4.07Å; P147-Q167 HydrophobicContact CG-CB 4.18Å; P147-Y168 HydrophobicContact CG-CD2 4.05Å; P147-Y168 HydrophobicContact CG-CE2 3.56Å; P147-Y168 PolarHBondContact O-OH 3.25Å
148V80.7Confident75.5Confident116 Ų11690.4 Ų90.470%0.70349%0.49SS*.  trans-69.4129.2179.7-179.90000109S150V148-S150 PolarHBondContact O-N 3.39Å; V148-S150 VanDerWaalsContact O-N 3.1Å
149S75.4Confident73.9Confident99 Ų9989.9 Ų89.969%0.69249%0.493SS*.  trans-64.8112.3173.159.50000109.7P147P147-S149 PolarHBondContact O-N 3.1Å
150S72.6Confident72.3Confident78 Ų7891.2 Ų91.255%0.54551%0.506SS..  trans-97.5144171.174.80000110.1V148 Y152V148-S150 PolarHBondContact O-N 3.39Å; V148-S150 VanDerWaalsContact O-N 3.1Å; S150-Y152 PolarHBondContact OG-O 3.1Å
151I74.3Confident70.8Confident172 Ų17297.1 Ų97.188%0.88253%0.533SS*.SBendtrans-81.3-15.7171.7-56168.5000110.1
152Y70.4Confident69.8Low195 Ų19599 Ų9977%0.76555%0.552SS**SBendtrans-89.1125.9-178.7-58.8-73.7000109.7S150 D154S150-Y152 PolarHBondContact OG-O 3.1Å; Y152-D154 PolarHBondContact O-N 2.95Å
153M62.1Low69.3Low192 Ų19298 Ų9895%0.94655%0.549SS*.  trans-68.9115.1172.4-169.1168.471.200108.7
154D60.7Low69.2Low134 Ų13498.7 Ų98.772%0.71754%0.544SS*.  trans-74.8163.5178.7-140.1-22.9000111.4Y152Y152-D154 PolarHBondContact O-N 2.95Å
155S60.9Low69.1Low74 Ų7494.1 Ų94.152%0.51753%0.529SS..  trans-63.9150.9-177.294.80000111.9A157 G158S155-A157 PolarHBondContact O-N 3.08Å; S155-G158 PolarHBondContact O-N 3.1Å
156R59Low69.2Low125 Ų12592.7 Ų92.747%0.47253%0.526SS..G310 helixtrans-53-20.8-178.1-145.6171-176.9-155.7-13.7114.8G158 E207 V210R156-G158 PolarHBondContact O-N 3.25Å; R156-G158 VanDerWaalsContact O-N 3.14Å; R156-E207 WeakPolarHBondContact CD-OE1 3.34Å; R156-E207 IonicContact CZ-OE1 3.73Å; R156-E207 VanDerWaalsContact NE-CD 3.27Å; R156-E207 IonicContact NE-OE1 3.6Å; R156-E207 PolarHBondContact NE-OE1 2.92Å; R156-E207 IonicContact NE-OE2 2.74Å; R156-E207 IonicContact NH1-OE1 2.8Å; R156-E207 IonicContact NH2-OE1 3.96Å; R156-E207 PolarHBondContact NH2-OE1 3.48Å; R156-V210 VanDerWaalsContact NH1-CB 3.33Å; R156-V210 VanDerWaalsContact NH1-CG1 3.32Å; R156-V210 VanDerWaalsContact NH1-CG2 3.3Å
157A54.2Low69.1Low49 Ų4995.5 Ų95.541%0.40554%0.538SS..G310 helixtrans-64.8-13.8-179.100000114.6S155S155-A157 PolarHBondContact O-N 3.08Å
158G56.3Low69.2Low49 Ų4997.4 Ų97.451%0.50554%0.544SS..G310 helixtrans-70.1-33.8-173.300000116.2S155 R156S155-G158 PolarHBondContact O-N 3.1Å; R156-G158 PolarHBondContact O-N 3.25Å; R156-G158 VanDerWaalsContact O-N 3.14Å
159C60.2Low69.4Low59 Ų5994 Ų9440%0.39952%0.519SS..G310 helixtrans-110.823-166.4-72.20000116.1C163C159-C163 HydrophobicContact CB-CB 3.61Å; C159-C163 WeakPolarHBondContact CB-SG 3.45Å; C159-C163 WeakPolarHBondContact SG-CA 3.41Å; C159-C163 WeakPolarHBondContact SG-CB 3.47Å; C159-C163 CovalentContact SG-SG 2.05Å; C159-C163 PolarHBondContact SG-SG 3.49Å
160S59.5Low69.7Low64 Ų6492.9 Ų92.945%0.44851%0.51SS..SBendtrans-78.2-23.6178.674.80000115.1
161K58Low70.2Confident205 Ų20590.6 Ų90.689%0.89149%0.494SS*.SBendtrans-138.7-31.1-178.3-68.1-175.2-179.8179.40114.5
162S66Low70.7Confident81 Ų8182.4 Ų82.457%0.56645%0.452SS*.  trans-144.396.1-179.6171.10000108
163C75.2Confident71.5Confident19 Ų1975 Ų7513%0.12842%0.424CS..  trans-85.6126.8179.5-162.80000109.8C159 A165 A166C159-C163 HydrophobicContact CB-CB 3.61Å; C159-C163 WeakPolarHBondContact CB-SG 3.45Å; C159-C163 WeakPolarHBondContact SG-CA 3.41Å; C159-C163 WeakPolarHBondContact SG-CB 3.47Å; C159-C163 CovalentContact SG-SG 2.05Å; C159-C163 PolarHBondContact SG-SG 3.49Å; C163-A165 PolarHBondContact O-N 3.36Å; C163-A166 HydrophobicContact CB-CB 4.25Å; C163-A166 VanDerWaalsContact O-CB 3.26Å; C163-A166 WeakPolarHBondContact O-CB 3.48Å; C163-A166 PolarHBondContact O-N 2.85Å
164E78.8Confident72.8Confident112 Ų11267.3 Ų67.352%0.52339%0.388SS..Hα-helixtrans-58-35175-68.8-174.6170.800111.4P147 A166 Q167P147-E164 HydrophobicContact CB-CB 4.07Å; P147-E164 HydrophobicContact CB-CG 4.38Å; P147-E164 HydrophobicContact CG-CB 4.07Å; E164-A166 PolarHBondContact O-N 3.4Å; E164-Q167 WeakPolarHBondContact O-CA 3.39Å; E164-Q167 VanDerWaalsContact O-CB 3.22Å; E164-Q167 WeakPolarHBondContact O-CB 3.46Å; E164-Q167 PolarHBondContact O-N 3.01Å
165A78.9Confident74.2Confident68 Ų6861 Ų6156%0.56235%0.354SS*.Hα-helixtrans-57.9-34.5174.600000112.7C163 Q167 Y168C163-A165 PolarHBondContact O-N 3.36Å; A165-Q167 PolarHBondContact O-N 3.21Å; A165-Y168 PolarHBondContact O-N 3.24Å
166A82.3Confident75.6Confident21 Ų2157.5 Ų57.517%0.17433%0.33CS..Hα-helixtrans-69.2-23.8176.700000112.3C163 E164 Y168 W169 S170 I204C163-A166 HydrophobicContact CB-CB 4.25Å; C163-A166 VanDerWaalsContact O-CB 3.26Å; C163-A166 WeakPolarHBondContact O-CB 3.48Å; C163-A166 PolarHBondContact O-N 2.85Å; E164-A166 PolarHBondContact O-N 3.4Å; A166-Y168 VanDerWaalsContact C-N 3.29Å; A166-Y168 PolarHBondContact O-N 3.2Å; A166-W169 WeakPolarHBondContact O-CA 3.39Å; A166-W169 WeakPolarHBondContact O-CB 3.38Å; A166-W169 PolarHBondContact O-N 3.25Å; A166-S170 PolarHBondContact O-N 2.88Å; A166-S170 PolarHBondContact O-OG 3.05Å; A166-I204 HydrophobicContact CB-CD1 3.64Å
167Q83.5Confident77.1Confident75 Ų7555 Ų5535%0.3532%0.323SS..Hα-helixtrans-65.1-33177.2-63.1-179.5-17.700111.8P147 E164 A165 W169 S170 S171P147-Q167 HydrophobicContact CG-CB 4.18Å; E164-Q167 WeakPolarHBondContact O-CA 3.39Å; E164-Q167 VanDerWaalsContact O-CB 3.22Å; E164-Q167 WeakPolarHBondContact O-CB 3.46Å; E164-Q167 PolarHBondContact O-N 3.01Å; A165-Q167 PolarHBondContact O-N 3.21Å; Q167-W169 PolarHBondContact O-N 3.46Å; Q167-S170 WeakPolarHBondContact CA-OG 3.25Å; Q167-S170 PolarHBondContact O-N 3.41Å; Q167-S170 PolarHBondContact O-OG 3.47Å; Q167-S171 WeakPolarHBondContact O-CB 3.38Å; Q167-S171 PolarHBondContact O-N 3.37Å; Q167-S171 PolarHBondContact O-OG 2.85Å
168Y85.3Confident78.9Confident59 Ų5953.3 Ų53.323%0.23131%0.31CS..Hα-helixtrans-63.6-30.2172-69.1-85.4000112.6I146 P147 A165 A166 F173 T174I146-Y168 HydrophobicContact CG2-CD1 3.43Å; I146-Y168 VanDerWaalsContact CG2-CD1 3.43Å; I146-Y168 HydrophobicContact CG2-CE1 3.03Å; I146-Y168 HydrophobicContact CG2-CE2 4.46Å; I146-Y168 HydrophobicContact CG2-CG 4.29Å; P147-Y168 HydrophobicContact CG-CD2 4.05Å; P147-Y168 HydrophobicContact CG-CE2 3.56Å; P147-Y168 PolarHBondContact O-OH 3.25Å; A165-Y168 PolarHBondContact O-N 3.24Å; A166-Y168 VanDerWaalsContact C-N 3.29Å; A166-Y168 PolarHBondContact O-N 3.2Å; Y168-F173 HydrophobicContact CD1-CB 4.3Å; Y168-F173 AromaticContact CD1-CD1 3.62Å; Y168-F173 HydrophobicContact CD1-CD1 3.62Å; Y168-F173 HydrophobicContact CD1-CD2 4.32Å; Y168-F173 AromaticContact CD1-CE1 3.98Å; Y168-F173 HydrophobicContact CD1-CE1 3.98Å; Y168-F173 AromaticContact CD1-CG 3.83Å; Y168-F173 HydrophobicContact CD1-CG 3.83Å; Y168-F173 HydrophobicContact CD1-CZ 4.49Å; Y168-F173 HydrophobicContact CG-CD1 4.36Å; Y168-F173 WeakPolarHBondContact O-CB 3.31Å; Y168-T174 WeakPolarHBondContact O-CG2 3.42Å; Y168-T174 PolarHBondContact O-N 3.21Å; Y168-T174 PolarHBondContact O-OG1 3.32Å
169W84.9Confident80.5Confident45 Ų4551 Ų5117%0.1729%0.286CS..Hα-helixtrans-74.3-47.5174.5-167.1-93.3000111.1L66 N67 M69 A166 Q167 T174 A202L66-W169 HydrophobicContact CB-CG 4.41Å; L66-W169 HydrophobicContact CD1-CB 3.89Å; L66-W169 HydrophobicContact CD1-CD2 4.18Å; L66-W169 HydrophobicContact CD1-CG 3.65Å; N67-W169 PolarHBondContact O-NE1 3.34Å; M69-W169 HydrophobicContact CE-CH2 3.96Å; M69-W169 HydrophobicContact CE-CZ3 3.84Å; M69-W169 HydrophobicContact CG-CH2 3.8Å; M69-W169 HydrophobicContact CG-CZ2 3.81Å; M69-W169 HydrophobicContact CG-CZ3 4.45Å; A166-W169 WeakPolarHBondContact O-CA 3.39Å; A166-W169 WeakPolarHBondContact O-CB 3.38Å; A166-W169 PolarHBondContact O-N 3.25Å; Q167-W169 PolarHBondContact O-N 3.46Å; W169-T174 HydrophobicContact CE3-CG2 4.04Å; W169-A202 HydrophobicContact CD2-CB 3.81Å; W169-A202 HydrophobicContact CE3-CB 3.59Å; W169-A202 HydrophobicContact CH2-CB 3.63Å; W169-A202 HydrophobicContact CZ2-CB 3.81Å; W169-A202 HydrophobicContact CZ3-CB 3.51Å
170S80.9Confident82.1Confident74 Ų7448.2 Ų48.252%0.51727%0.267SS..Hα-helixtrans-78.5-21.8-176.562.70000115T73 A166 Q167 G172T73-S170 WeakPolarHBondContact CG2-O 3.43Å; A166-S170 PolarHBondContact O-N 2.88Å; A166-S170 PolarHBondContact O-OG 3.05Å; Q167-S170 WeakPolarHBondContact CA-OG 3.25Å; Q167-S170 PolarHBondContact O-N 3.41Å; Q167-S170 PolarHBondContact O-OG 3.47Å; S170-G172 VanDerWaalsContact C-N 3.26Å; S170-G172 PolarHBondContact O-N 2.9Å
171S82.7Confident83.7Confident30 Ų3047.8 Ų47.821%0.2126%0.26CS..THydrogen-bonded Turntrans-78.9-7.9-18066.40000113.7Q167 F173Q167-S171 WeakPolarHBondContact O-CB 3.38Å; Q167-S171 PolarHBondContact O-N 3.37Å; Q167-S171 PolarHBondContact O-OG 2.85Å; S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact OG-N 3.38Å
172G84.4Confident85.3Confident0 Ų038.1 Ų38.10%022%0.218CC..SBendtrans82.40.5-173.700000114.5S170 T174 V175 L176S170-G172 VanDerWaalsContact C-N 3.26Å; S170-G172 PolarHBondContact O-N 2.9Å; G172-T174 VanDerWaalsContact C-N 3.35Å; G172-T174 PolarHBondContact O-N 3.21Å; G172-V175 WeakPolarHBondContact O-CB 3.49Å; G172-V175 PolarHBondContact O-N 3.32Å; G172-L176 PolarHBondContact O-N 3.11Å
173F88.6Confident86.6Confident41 Ų4134.2 Ų34.218%0.1819%0.191CC..Hα-helixtrans-54-50.8174.9174-92.3000112.2L139 F141 I146 Y168 S171 V175 L176 Q177L139-F173 HydrophobicContact CB-CE2 4.24Å; L139-F173 HydrophobicContact CD1-CD2 4.19Å; L139-F173 HydrophobicContact CD1-CE2 3.74Å; L139-F173 HydrophobicContact CD1-CZ 4.24Å; F141-F173 AromaticContact CD2-CD2 3.94Å; F141-F173 HydrophobicContact CD2-CD2 3.94Å; F141-F173 HydrophobicContact CD2-CE2 4.34Å; F141-F173 AromaticContact CE2-CD2 3.38Å; F141-F173 HydrophobicContact CE2-CD2 3.38Å; F141-F173 AromaticContact CE2-CE2 3.93Å; F141-F173 HydrophobicContact CE2-CE2 3.93Å; F141-F173 HydrophobicContact CE2-CG 4.44Å; F141-F173 HydrophobicContact CZ-CB 4.3Å; F141-F173 AromaticContact CZ-CD2 3.83Å; F141-F173 HydrophobicContact CZ-CD2 3.83Å; I146-F173 HydrophobicContact CD1-CB 3.6Å; I146-F173 HydrophobicContact CD1-CD2 3.44Å; I146-F173 VanDerWaalsContact CD1-CD2 3.44Å; I146-F173 HydrophobicContact CD1-CE2 4.43Å; I146-F173 HydrophobicContact CD1-CG 3.85Å; Y168-F173 HydrophobicContact CD1-CB 4.3Å; Y168-F173 AromaticContact CD1-CD1 3.62Å; Y168-F173 HydrophobicContact CD1-CD1 3.62Å; Y168-F173 HydrophobicContact CD1-CD2 4.32Å; Y168-F173 AromaticContact CD1-CE1 3.98Å; Y168-F173 HydrophobicContact CD1-CE1 3.98Å; Y168-F173 AromaticContact CD1-CG 3.83Å; Y168-F173 HydrophobicContact CD1-CG 3.83Å; Y168-F173 HydrophobicContact CD1-CZ 4.49Å; Y168-F173 HydrophobicContact CG-CD1 4.36Å; Y168-F173 WeakPolarHBondContact O-CB 3.31Å; S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact OG-N 3.38Å; F173-V175 VanDerWaalsContact C-N 3.3Å; F173-V175 PolarHBondContact O-N 3.43Å; F173-L176 PolarHBondContact O-N 3.2Å; F173-Q177 WeakPolarHBondContact O-CB 3.41Å; F173-Q177 PolarHBondContact O-N 3.07Å
174T89.4Confident87.5Confident30 Ų3033.7 Ų33.718%0.18419%0.186CC..Hα-helixtrans-63.9-36.6-179.351.70000112.1M69 Y168 W169 G172 Q177 A178M69-T174 VanDerWaalsContact CE-C 3.48Å; M69-T174 WeakPolarHBondContact CE-O 3.48Å; Y168-T174 WeakPolarHBondContact O-CG2 3.42Å; Y168-T174 PolarHBondContact O-N 3.21Å; Y168-T174 PolarHBondContact O-OG1 3.32Å; W169-T174 HydrophobicContact CE3-CG2 4.04Å; G172-T174 VanDerWaalsContact C-N 3.35Å; G172-T174 PolarHBondContact O-N 3.21Å; T174-Q177 PolarHBondContact O-N 3.3Å; T174-A178 VanDerWaalsContact O-CB 3.23Å; T174-A178 WeakPolarHBondContact O-CB 3.47Å; T174-A178 PolarHBondContact O-N 2.93Å
175V89.1Confident88.1Confident1 Ų131.3 Ų31.31%0.00618%0.176CC..Hα-helixtrans-64.5-47.8175.8-175.80000110.6M69 L74 L100 G172 F173 A178 S179 W194M69-V175 HydrophobicContact CB-CG2 3.74Å; M69-V175 HydrophobicContact CG-CG2 3.81Å; M69-V175 HydrophobicContact SD-CB 4.45Å; M69-V175 HydrophobicContact SD-CG2 4.09Å; L74-V175 HydrophobicContact CD1-CB 3.89Å; L74-V175 HydrophobicContact CD1-CG1 3.7Å; L100-V175 HydrophobicContact CD2-CG1 4.12Å; G172-V175 WeakPolarHBondContact O-CB 3.49Å; G172-V175 PolarHBondContact O-N 3.32Å; F173-V175 VanDerWaalsContact C-N 3.3Å; F173-V175 PolarHBondContact O-N 3.43Å; V175-A178 PolarHBondContact O-N 3.05Å; V175-S179 VanDerWaalsContact O-CB 3.31Å; V175-S179 WeakPolarHBondContact O-CB 3.4Å; V175-S179 PolarHBondContact O-N 3.25Å; V175-S179 PolarHBondContact O-OG 3.42Å; V175-W194 HydrophobicContact CG1-CH2 4.38Å
176L89.6Confident88.8Confident0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-61.8-46.7177.1-178.265.6000110.8L79 I104 V127 L139 F141 G172 F173 S179 I180L79-L176 HydrophobicContact CD1-CD1 4.03Å; L79-L176 HydrophobicContact CD1-CD2 3.88Å; L79-L176 HydrophobicContact CD2-CD1 3.67Å; I104-L176 HydrophobicContact CD1-CD1 4.25Å; V127-L176 HydrophobicContact CG1-CD2 3.72Å; L139-L176 HydrophobicContact CD1-CD2 4.37Å; L139-L176 HydrophobicContact CD2-CD2 3.96Å; L139-L176 HydrophobicContact CD2-CG 4.5Å; F141-L176 HydrophobicContact CE2-CD2 4.33Å; F141-L176 HydrophobicContact CZ-CD2 3.85Å; G172-L176 PolarHBondContact O-N 3.11Å; F173-L176 PolarHBondContact O-N 3.2Å; L176-S179 PolarHBondContact O-N 3.21Å; L176-S179 PolarHBondContact O-OG 3.14Å; L176-I180 HydrophobicContact CD1-CD1 4.12Å; L176-I180 HydrophobicContact CD1-CG1 4.48Å; L176-I180 HydrophobicContact CG-CD1 4.01Å; L176-I180 WeakPolarHBondContact O-CG1 3.35Å; L176-I180 PolarHBondContact O-N 3.46Å
177Q91.9Very high89.2Confident73 Ų7331.7 Ų31.734%0.34117%0.165SC..Hα-helixtrans-59.7-50.8178.3-166.7-173.6-3800111.3Y137 L139 F173 T174 S179 I180 D181Y137-Q177 WeakPolarHBondContact OH-CG 3.33Å; Y137-Q177 PolarHBondContact OH-O 3.13Å; L139-Q177 HydrophobicContact CD1-CB 4.32Å; F173-Q177 WeakPolarHBondContact O-CB 3.41Å; F173-Q177 PolarHBondContact O-N 3.07Å; T174-Q177 PolarHBondContact O-N 3.3Å; Q177-S179 VanDerWaalsContact C-N 3.25Å; Q177-S179 PolarHBondContact O-N 2.89Å; Q177-I180 PolarHBondContact O-N 3.1Å; Q177-D181 WeakPolarHBondContact O-CB 3.29Å; Q177-D181 PolarHBondContact O-N 3.24Å
178A91.6Very high89.7Confident14 Ų1433.7 Ų33.712%0.11617%0.172CC..Hα-helixtrans-60.4-35.3177.100000112.3M69 T174 V175 A182 W194M69-A178 HydrophobicContact CE-CB 3.94Å; M69-A178 HydrophobicContact SD-CB 4.14Å; T174-A178 VanDerWaalsContact O-CB 3.23Å; T174-A178 WeakPolarHBondContact O-CB 3.47Å; T174-A178 PolarHBondContact O-N 2.93Å; V175-A178 PolarHBondContact O-N 3.05Å; A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 3.32Å; A178-W194 HydrophobicContact CB-CZ3 4.39Å
179S90.6Very high90Very high0 Ų034.6 Ų34.60%018%0.184CC..Hα-helixtrans-68.6-41.3178.775.50000112.7V95 H99 V175 L176 Q177 A183 W194V95-S179 WeakPolarHBondContact CG1-OG 3.15Å; H99-S179 PolarHBondContact CE1-O 2.92Å; H99-S179 PolarHBondContact ND1-O 2.72Å; V175-S179 VanDerWaalsContact O-CB 3.31Å; V175-S179 WeakPolarHBondContact O-CB 3.4Å; V175-S179 PolarHBondContact O-N 3.25Å; V175-S179 PolarHBondContact O-OG 3.42Å; L176-S179 PolarHBondContact O-N 3.21Å; L176-S179 PolarHBondContact O-OG 3.14Å; Q177-S179 VanDerWaalsContact C-N 3.25Å; Q177-S179 PolarHBondContact O-N 2.89Å; S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 3.29Å; S179-A183 VanDerWaalsContact O-N 3.09Å; S179-W194 VanDerWaalsContact CA-CZ3 3.45Å
180I92.1Very high90.3Very high0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-69.1-47.1177.3-65.8166.8000109.5I91 V95 V129 F131 Y137 L139 L176 Q177 A182 A183 I184I91-I180 HydrophobicContact CG2-CG2 4.43Å; V95-I180 HydrophobicContact CG2-CG1 4.13Å; V129-I180 HydrophobicContact CG1-CD1 4.22Å; V129-I180 HydrophobicContact CG2-CD1 4.17Å; F131-I180 HydrophobicContact CE1-CG2 4.46Å; Y137-I180 HydrophobicContact CD1-CG2 3.95Å; Y137-I180 HydrophobicContact CD2-CD1 4.44Å; Y137-I180 HydrophobicContact CD2-CG2 4.47Å; Y137-I180 HydrophobicContact CE1-CB 4.4Å; Y137-I180 HydrophobicContact CE1-CG2 3.59Å; Y137-I180 HydrophobicContact CE2-CB 4.46Å; Y137-I180 HydrophobicContact CE2-CD1 4.01Å; Y137-I180 HydrophobicContact CE2-CG2 4.13Å; Y137-I180 HydrophobicContact CG-CG2 4.38Å; L139-I180 HydrophobicContact CD2-CD1 3.88Å; L176-I180 HydrophobicContact CD1-CD1 4.12Å; L176-I180 HydrophobicContact CD1-CG1 4.48Å; L176-I180 HydrophobicContact CG-CD1 4.01Å; L176-I180 WeakPolarHBondContact O-CG1 3.35Å; L176-I180 PolarHBondContact O-N 3.46Å; Q177-I180 PolarHBondContact O-N 3.1Å; I180-A182 PolarHBondContact O-N 2.95Å; I180-A183 WeakPolarHBondContact O-CB 3.34Å; I180-A183 PolarHBondContact O-N 3.41Å; I180-A183 VanDerWaalsContact O-N 3.12Å; I180-I184 HydrophobicContact CG2-CD1 3.78Å; I180-I184 HydrophobicContact CG2-CG1 4.37Å; I180-I184 WeakPolarHBondContact O-CG1 3.46Å; I180-I184 PolarHBondContact O-N 3.47Å
181D93.6Very high90.8Very high56 Ų5639.9 Ų39.930%0.29921%0.213SC..Hα-helixtrans-61-43.6178.1-75.1-27.6000111.6Y137 Q177 A183 I184 I185Y137-D181 WeakPolarHBondContact CE1-OD1 3.45Å; Y137-D181 PolarHBondContact OH-OD1 3.48Å; Q177-D181 WeakPolarHBondContact O-CB 3.29Å; Q177-D181 PolarHBondContact O-N 3.24Å; D181-A183 VanDerWaalsContact C-N 3.3Å; D181-A183 PolarHBondContact O-N 3.05Å; D181-I184 PolarHBondContact O-N 3.25Å; D181-I185 WeakPolarHBondContact O-CB 3.15Å; D181-I185 WeakPolarHBondContact O-CD1 3.44Å; D181-I185 WeakPolarHBondContact O-CG1 3.29Å; D181-I185 PolarHBondContact O-N 2.84Å
182A93.1Very high91.1Very high1 Ų142.2 Ų42.21%0.00823%0.229CC..Hα-helixtrans-59.3-41.2174.400000111.9A178 I180 Q186 W194 L197A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 3.32Å; I180-A182 PolarHBondContact O-N 2.95Å; A182-Q186 VanDerWaalsContact O-CB 3.24Å; A182-Q186 WeakPolarHBondContact O-CB 3.39Å; A182-Q186 PolarHBondContact O-N 3.01Å; A182-W194 HydrophobicContact CB-CB 4.49Å; A182-W194 HydrophobicContact CB-CE3 4.03Å; A182-L197 HydrophobicContact CB-CD1 3.87Å
183A92.3Very high91.3Very high0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-68.3-43.1179.300000111.4I91 K94 V95 H99 S179 I180 D181 Q186 L187I91-A183 HydrophobicContact CG2-CB 4.16Å; K94-A183 HydrophobicContact CB-CB 4.27Å; V95-A183 HydrophobicContact CG2-CB 3.69Å; H99-A183 PolarHBondContact CE1-N 2.88Å; S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 3.29Å; S179-A183 VanDerWaalsContact O-N 3.09Å; I180-A183 WeakPolarHBondContact O-CB 3.34Å; I180-A183 PolarHBondContact O-N 3.41Å; I180-A183 VanDerWaalsContact O-N 3.12Å; D181-A183 VanDerWaalsContact C-N 3.3Å; D181-A183 PolarHBondContact O-N 3.05Å; A183-Q186 PolarHBondContact O-N 3.25Å; A183-L187 WeakPolarHBondContact O-CB 3.28Å; A183-L187 VanDerWaalsContact O-CG 3.29Å; A183-L187 WeakPolarHBondContact O-CG 3.21Å; A183-L187 PolarHBondContact O-N 3.5Å
184I93.3Very high91.3Very high8 Ų843.7 Ų43.74%0.04124%0.237CC..Hα-helixtrans-60.2-50175.2-68.6170.5000110.3I91 M135 Y137 I180 D181 Q186 L187 K188I91-I184 HydrophobicContact CD1-CG1 3.98Å; I91-I184 HydrophobicContact CG1-CG1 4.28Å; I91-I184 HydrophobicContact CG2-CG1 4.07Å; M135-I184 HydrophobicContact CE-CG2 3.86Å; M135-I184 HydrophobicContact SD-CG2 3.35Å; M135-I184 WeakPolarHBondContact SD-CG2 3.22Å; Y137-I184 HydrophobicContact CD1-CD1 4.06Å; Y137-I184 HydrophobicContact CE1-CD1 4.06Å; I180-I184 HydrophobicContact CG2-CD1 3.78Å; I180-I184 HydrophobicContact CG2-CG1 4.37Å; I180-I184 WeakPolarHBondContact O-CG1 3.46Å; I180-I184 PolarHBondContact O-N 3.47Å; D181-I184 PolarHBondContact O-N 3.25Å; I184-Q186 VanDerWaalsContact C-N 3.32Å; I184-Q186 PolarHBondContact O-N 2.87Å; I184-L187 PolarHBondContact O-N 3.49Å; I184-K188 WeakPolarHBondContact O-CG 3.47Å; I184-K188 PolarHBondContact O-N 3.15Å
185I93.1Very high91.1Very high61 Ų6150.6 Ų50.631%0.31327%0.265SS..Hα-helixtrans-59.6-46.2179.2-68.5164.5000110.1D181 L187 K188 T189 L193D181-I185 WeakPolarHBondContact O-CB 3.15Å; D181-I185 WeakPolarHBondContact O-CD1 3.44Å; D181-I185 WeakPolarHBondContact O-CG1 3.29Å; D181-I185 PolarHBondContact O-N 2.84Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.43Å; I185-K188 PolarHBondContact O-N 3.34Å; I185-T189 HydrophobicContact CG2-CG2 4.3Å; I185-T189 WeakPolarHBondContact O-CB 3.36Å; I185-T189 PolarHBondContact O-N 2.89Å; I185-T189 PolarHBondContact O-OG1 2.67Å; I185-L193 HydrophobicContact CD1-CD1 4.27Å; I185-L193 HydrophobicContact CG2-CD1 3.82Å
186Q92.4Very high91.1Very high30 Ų3056.7 Ų56.714%0.1429%0.293CS..Hα-helixtrans-65.1-38.3-178.9-168.8-178.99.300112.3A182 A183 I184 K188 N190 V191A182-Q186 VanDerWaalsContact O-CB 3.24Å; A182-Q186 WeakPolarHBondContact O-CB 3.39Å; A182-Q186 PolarHBondContact O-N 3.01Å; A183-Q186 PolarHBondContact O-N 3.25Å; I184-Q186 VanDerWaalsContact C-N 3.32Å; I184-Q186 PolarHBondContact O-N 2.87Å; Q186-K188 VanDerWaalsContact C-N 3.3Å; Q186-K188 PolarHBondContact O-N 2.87Å; Q186-N190 WeakPolarHBondContact O-CA 3.32Å; Q186-N190 PolarHBondContact O-N 2.92Å; Q186-V191 VanDerWaalsContact CA-O 3.3Å; Q186-V191 WeakPolarHBondContact CA-O 3.47Å; Q186-V191 WeakPolarHBondContact CB-O 3.37Å
187L91.5Very high91Very high67 Ų6759.4 Ų59.435%0.35131%0.307SS..Hα-helixtrans-69-27.9176.6-74.5169.1000113I91 K94 A183 I184 I185I91-L187 HydrophobicContact CB-CD1 4.15Å; I91-L187 HydrophobicContact CG1-CD1 3.44Å; I91-L187 VanDerWaalsContact CG1-CD1 3.44Å; K94-L187 HydrophobicContact CD-CD2 4.41Å; K94-L187 HydrophobicContact CD-CG 4.38Å; A183-L187 WeakPolarHBondContact O-CB 3.28Å; A183-L187 VanDerWaalsContact O-CG 3.29Å; A183-L187 WeakPolarHBondContact O-CG 3.21Å; A183-L187 PolarHBondContact O-N 3.5Å; I184-L187 PolarHBondContact O-N 3.49Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.43Å
188K92.4Very high90.6Very high117 Ų11759 Ų5951%0.50931%0.305SS..Hα-helixtrans-88.7-35.6179.3-67.1-68.2-175.4174.70113.6S134 M135 I184 I185 Q186S134-K188 PolarHBondContact OG-NZ 3.31Å; M135-K188 HydrophobicContact CE-CG 4.17Å; M135-K188 HydrophobicContact SD-CD 4.14Å; M135-K188 WeakPolarHBondContact SD-CE 3.44Å; M135-K188 HydrophobicContact SD-CG 3.78Å; I184-K188 WeakPolarHBondContact O-CG 3.47Å; I184-K188 PolarHBondContact O-N 3.15Å; I185-K188 PolarHBondContact O-N 3.34Å; Q186-K188 VanDerWaalsContact C-N 3.3Å; Q186-K188 PolarHBondContact O-N 2.87Å
189T92.3Very high90.3Very high78 Ų7862.3 Ų62.348%0.47933%0.327SS..Hα-helixtrans-109.8-10.1-171.265.60000113.7I185 V191I185-T189 HydrophobicContact CG2-CG2 4.3Å; I185-T189 WeakPolarHBondContact O-CB 3.36Å; I185-T189 PolarHBondContact O-N 2.89Å; I185-T189 PolarHBondContact O-OG1 2.67Å; T189-V191 PolarHBondContact O-N 3.42Å; T189-V191 PolarHBondContact OG1-N 3.15Å
190N91.8Very high90Very high150 Ų15065.7 Ų65.780%0.80235%0.348SS*.SBendtrans58.414.6-169.2-69.6-34.9000114.7Q186Q186-N190 WeakPolarHBondContact O-CA 3.32Å; Q186-N190 PolarHBondContact O-N 2.92Å
191V91Very high89.6Confident80 Ų8071.3 Ų71.349%0.48537%0.373SS..  trans-106.4128.6177.3-179.90000110.2Q186 T189 L193Q186-V191 VanDerWaalsContact CA-O 3.3Å; Q186-V191 WeakPolarHBondContact CA-O 3.47Å; Q186-V191 WeakPolarHBondContact CB-O 3.37Å; T189-V191 PolarHBondContact O-N 3.42Å; T189-V191 PolarHBondContact OG1-N 3.15Å; V191-L193 HydrophobicContact CG1-CD2 4.25Å
192S89.2Confident89.2Confident80 Ų8069.9 Ų69.956%0.55937%0.368SS*.  trans-87.7119.3176.160.90000111.4
193L89.3Confident88.8Confident51 Ų5173.6 Ų73.627%0.26739%0.391SS..  trans-107.8-1.3177.8-65.9177.3000113.9I185 V191 K195 E196 L197I185-L193 HydrophobicContact CD1-CD1 4.27Å; I185-L193 HydrophobicContact CG2-CD1 3.82Å; V191-L193 HydrophobicContact CG1-CD2 4.25Å; L193-K195 PolarHBondContact O-N 3.4Å; L193-E196 PolarHBondContact O-N 3.48Å; L193-E196 VanDerWaalsContact O-N 3.15Å; L193-L197 HydrophobicContact CB-CD1 4.31Å; L193-L197 PolarHBondContact O-N 3.27Å; L193-L197 VanDerWaalsContact O-N 3.11Å
194W87.9Confident88.3Confident20 Ų2075.7 Ų75.78%0.07640%0.402CS..Hα-helixtrans-56.9-43.9-171.3178.8-120000114.1H99 V175 A178 S179 A182 E196 L197 E198H99-W194 HydrophobicContact CB-CD2 3.88Å; H99-W194 HydrophobicContact CB-CE3 4.23Å; H99-W194 HydrophobicContact CB-CG 4.42Å; H99-W194 HydrophobicContact CB-CH2 4.1Å; H99-W194 HydrophobicContact CB-CZ2 3.7Å; H99-W194 HydrophobicContact CB-CZ3 4.36Å; H99-W194 AromaticContact CD2-CD1 3.57Å; H99-W194 AromaticContact CD2-CD2 3.58Å; H99-W194 AromaticContact CD2-CG 3.28Å; H99-W194 AromaticContact CD2-NE1 3.99Å; H99-W194 AromaticContact CG-CD2 3.63Å; H99-W194 AromaticContact CG-CE2 3.9Å; H99-W194 AromaticContact CG-CE3 3.93Å; H99-W194 AromaticContact CG-CG 3.88Å; H99-W194 AromaticContact NE2-CG 3.76Å; H99-W194 WeakPolarHBondContact O-CZ2 3.46Å; V175-W194 HydrophobicContact CG1-CH2 4.38Å; A178-W194 HydrophobicContact CB-CZ3 4.39Å; S179-W194 VanDerWaalsContact CA-CZ3 3.45Å; A182-W194 HydrophobicContact CB-CB 4.49Å; A182-W194 HydrophobicContact CB-CE3 4.03Å; W194-E196 VanDerWaalsContact C-N 3.29Å; W194-E196 PolarHBondContact O-N 2.9Å; W194-L197 PolarHBondContact O-N 3.45Å; W194-E198 PolarHBondContact NE1-OE2 3.47Å; W194-E198 WeakPolarHBondContact O-CB 3.49Å; W194-E198 PolarHBondContact O-N 3.26Å
195K86.1Confident87.8Confident176 Ų17683.1 Ų83.177%0.76544%0.438SS*.Hα-helixtrans-62.3-36.3-179.6-69.1-176.2177.3179.70112.9L193 S199L193-K195 PolarHBondContact O-N 3.4Å; K195-S199 WeakPolarHBondContact O-CB 3.3Å; K195-S199 PolarHBondContact O-N 3.01Å; K195-S199 PolarHBondContact O-OG 2.91Å
196E87.8Confident87.1Confident128 Ų12881.4 Ų81.460%0.59844%0.435SS*.Hα-helixtrans-70.9-44.9178.3-65.1178.3-170.300110.2L193 W194 S199 T200L193-E196 PolarHBondContact O-N 3.48Å; L193-E196 VanDerWaalsContact O-N 3.15Å; W194-E196 VanDerWaalsContact C-N 3.29Å; W194-E196 PolarHBondContact O-N 2.9Å; E196-S199 PolarHBondContact O-N 3.27Å; E196-S199 PolarHBondContact O-OG 3.04Å; E196-T200 PolarHBondContact O-N 3.27Å; E196-T200 PolarHBondContact O-OG1 3.47Å
197L86.9Confident86.4Confident58 Ų5882.7 Ų82.730%0.30444%0.441SS..Hα-helixtrans-63.4-43.7177.4-68.9170.1000112.4A182 L193 W194 S199 T200A182-L197 HydrophobicContact CB-CD1 3.87Å; L193-L197 HydrophobicContact CB-CD1 4.31Å; L193-L197 PolarHBondContact O-N 3.27Å; L193-L197 VanDerWaalsContact O-N 3.11Å; W194-L197 PolarHBondContact O-N 3.45Å; L197-S199 VanDerWaalsContact C-N 3.28Å; L197-S199 PolarHBondContact O-N 2.93Å; L197-T200 VanDerWaalsContact O-CB 3.26Å; L197-T200 WeakPolarHBondContact O-CB 3.43Å; L197-T200 PolarHBondContact O-N 3.44Å; L197-T200 VanDerWaalsContact O-N 3.1Å; L197-T200 PolarHBondContact O-OG1 3.26Å
198E84.5Confident85.8Confident65 Ų6584 Ų8430%0.30445%0.452SS..Hα-helixtrans-61.1-36.9177.1-179.5175.6-178.400112.1K71 W194 T200K71-E198 WeakPolarHBondContact CE-OE1 3.28Å; K71-E198 IonicContact NZ-OE1 2.69Å; K71-E198 PolarHBondContact NZ-OE1 2.86Å; K71-E198 IonicContact NZ-OE2 3.02Å; K71-E198 PolarHBondContact NZ-OE2 3.22Å; W194-E198 PolarHBondContact NE1-OE2 3.47Å; W194-E198 WeakPolarHBondContact O-CB 3.49Å; W194-E198 PolarHBondContact O-N 3.26Å; E198-T200 PolarHBondContact O-N 3.19Å
199S84.9Confident85.1Confident82 Ų8281.4 Ų81.457%0.57345%0.452SS*.Hα-helixtrans-76.2-10.3178.874.10000114.1K195 E196 L197K195-S199 WeakPolarHBondContact O-CB 3.3Å; K195-S199 PolarHBondContact O-N 3.01Å; K195-S199 PolarHBondContact O-OG 2.91Å; E196-S199 PolarHBondContact O-N 3.27Å; E196-S199 PolarHBondContact O-OG 3.04Å; L197-S199 VanDerWaalsContact C-N 3.28Å; L197-S199 PolarHBondContact O-N 2.93Å
200T84.7Confident84.3Confident71 Ų7179.9 Ų79.944%0.43644%0.443SS..  trans-71.7133.2-175.3-58.80000110.4E196 L197 E198E196-T200 PolarHBondContact O-N 3.27Å; E196-T200 PolarHBondContact O-OG1 3.47Å; L197-T200 VanDerWaalsContact O-CB 3.26Å; L197-T200 WeakPolarHBondContact O-CB 3.43Å; L197-T200 PolarHBondContact O-N 3.44Å; L197-T200 VanDerWaalsContact O-N 3.1Å; L197-T200 PolarHBondContact O-OG1 3.26Å; E198-T200 PolarHBondContact O-N 3.19Å
201K83.8Confident83.6Confident119 Ų11976.1 Ų76.152%0.51743%0.425SS..  trans-104.6137175.6-64.3-178.8178.5-175.70109.9P68P68-K201 HydrophobicContact CG-CG 4.22Å
202A84.6Confident82.8Confident25 Ų2576 Ų7621%0.20742%0.419CS..  trans-91.9148.4168.500000110.3L66 W169L66-A202 HydrophobicContact CB-CB 4.34Å; L66-A202 WeakPolarHBondContact CB-O 3.3Å; L66-A202 HydrophobicContact CD1-CB 3.96Å; L66-A202 PolarHBondContact N-O 3.22Å; W169-A202 HydrophobicContact CD2-CB 3.81Å; W169-A202 HydrophobicContact CE3-CB 3.59Å; W169-A202 HydrophobicContact CH2-CB 3.63Å; W169-A202 HydrophobicContact CZ2-CB 3.81Å; W169-A202 HydrophobicContact CZ3-CB 3.51Å
203V84.7Confident82Confident79 Ų7976 Ų7648%0.47941%0.412SS..EExtended strand (participates in β ladder)trans-123.7124.8173.6-178.80000107.4N63 I64 E65 M205N63-V203 HydrophobicContact CB-CG1 3.84Å; I64-V203 WeakPolarHBondContact O-CA 3.39Å; E65-V203 HydrophobicContact CG-CG2 4.18Å; V203-M205 PolarHBondContact O-N 3.08Å
204I83.3Confident81.1Confident45 Ų4577.3 Ų77.323%0.23142%0.42CS..EExtended strand (participates in β ladder)trans-74.2116.7165.9-58.9173.9000106.1N63 I64 L66 A166 G206N63-I204 WeakPolarHBondContact CA-O 3.24Å; I64-I204 HydrophobicContact CB-CB 4.31Å; I64-I204 PolarHBondContact N-O 3.15Å; I64-I204 PolarHBondContact O-N 2.73Å; L66-I204 HydrophobicContact CD1-CD1 4.2Å; L66-I204 HydrophobicContact CD1-CG1 3.88Å; L66-I204 HydrophobicContact CD2-CD1 3.89Å; L66-I204 HydrophobicContact CD2-CG1 4.29Å; L66-I204 HydrophobicContact CG-CD1 4.22Å; L66-I204 HydrophobicContact CG-CG1 4.06Å; A166-I204 HydrophobicContact CB-CD1 3.64Å; I204-G206 PolarHBondContact O-N 2.97Å
205M81.9Confident80.6Confident164 Ų16482 Ų8281%0.80845%0.45SS*.PPolyproline II helixtrans-65.6127.4-179.8-161.1167.3-156.400109.4V203V203-M205 PolarHBondContact O-N 3.08Å
206G78.4Confident80.2Confident24 Ų2481.1 Ų81.125%0.24745%0.447CS..PPolyproline II helixtrans-66.1163.2173.600000111.3V61 N63 I204V61-G206 CarbonylContact O-C 3.59Å; V61-G206 WeakPolarHBondContact O-CA 3.33Å; N63-G206 PolarHBondContact OD1-N 3.42Å; I204-G206 PolarHBondContact O-N 2.97Å
207E76.9Confident79.8Confident57 Ų5775.8 Ų75.827%0.26642%0.423SS..BIsolated β-bridgetrans-125.5133.8-176.8-163.6-177130.700110E60 V61 R156E60-E207 CarbonylContact C-O 3.34Å; E60-E207 WeakPolarHBondContact CA-O 3.48Å; V61-E207 HydrophobicContact CB-CB 4.43Å; V61-E207 PolarHBondContact N-O 3.27Å; V61-E207 PolarHBondContact O-N 3.46Å; R156-E207 WeakPolarHBondContact CD-OE1 3.34Å; R156-E207 IonicContact CZ-OE1 3.73Å; R156-E207 VanDerWaalsContact NE-CD 3.27Å; R156-E207 IonicContact NE-OE1 3.6Å; R156-E207 PolarHBondContact NE-OE1 2.92Å; R156-E207 IonicContact NE-OE2 2.74Å; R156-E207 IonicContact NH1-OE1 2.8Å; R156-E207 IonicContact NH2-OE1 3.96Å; R156-E207 PolarHBondContact NH2-OE1 3.48Å
208T79.2Confident79.5Confident94 Ų9478.5 Ų78.558%0.57743%0.43SS*.  trans-67.6147.9176.3570000111.2V210T208-V210 PolarHBondContact O-N 3.28Å
209A78.9Confident79.5Confident63 Ų6376.9 Ų76.952%0.52143%0.43SS..  trans-54.4126.8173.500000111.6Y58 E60Y58-A209 WeakPolarHBondContact O-CA 3.5Å; E60-A209 HydrophobicContact CB-CB 4.22Å
210V75.5Confident79.5Confident46 Ų4675.7 Ų75.728%0.27942%0.419SS..EExtended strand (participates in β ladder)trans-136.2142.7178.1174.40000110.9Y58 R156 T208Y58-V210 WeakPolarHBondContact CB-O 3.29Å; Y58-V210 PolarHBondContact N-O 3.47Å; Y58-V210 PolarHBondContact O-N 3.29Å; R156-V210 VanDerWaalsContact NH1-CB 3.33Å; R156-V210 VanDerWaalsContact NH1-CG1 3.32Å; R156-V210 VanDerWaalsContact NH1-CG2 3.3Å; T208-V210 PolarHBondContact O-N 3.28Å
211V77.3Confident79.5Confident71 Ų7174.1 Ų74.143%0.4341%0.408SS..EExtended strand (participates in β ladder)trans-95110.7169.8-176.50000108N55 K56 K57 I213N55-V211 HydrophobicContact CB-CG1 3.56Å; K56-V211 CarbonylContact O-C 3.57Å; K56-V211 WeakPolarHBondContact O-CA 3.44Å; K57-V211 HydrophobicContact CG-CG1 4.42Å; K57-V211 HydrophobicContact CG-CG2 4.19Å; V211-I213 PolarHBondContact O-N 3.47Å
212E73.4Confident79.6Confident77 Ų7773.8 Ų73.836%0.3641%0.411SS..EExtended strand (participates in β ladder)trans-78.7123.4170.9-172.4-174.5-161.600108.8K56 Y58K56-E212 HydrophobicContact CB-CB 4.27Å; K56-E212 WeakPolarHBondContact CD-OE2 3.28Å; K56-E212 PolarHBondContact N-O 3.27Å; K56-E212 IonicContact NZ-OE2 3.44Å; K56-E212 PolarHBondContact O-N 2.86Å; Y58-E212 HydrophobicContact CD2-CB 4.15Å; Y58-E212 HydrophobicContact CE2-CB 3.63Å; Y58-E212 WeakPolarHBondContact CE2-OE2 3.44Å; Y58-E212 PolarHBondContact OH-OE2 2.86Å
213I71.6Confident79.8Confident80 Ų8077.9 Ų77.941%0.4143%0.428SS..  trans-99.4111.4178.4-65.3168.5000107.1V211 T215V211-I213 PolarHBondContact O-N 3.47Å; I213-T215 PolarHBondContact O-N 3.15Å
214D71.4Confident79.8Confident79 Ų7976.2 Ų76.242%0.42241%0.414SS..  trans-70.2125.1171.6-169.8-9.9000109.5F216 P217D214-F216 PolarHBondContact OD1-N 2.91Å; D214-F216 VanDerWaalsContact OD1-N 3.1Å; D214-P217 HydrophobicContact CB-CG 3.63Å; D214-P217 VanDerWaalsContact OD1-CD 3.31Å; D214-P217 WeakPolarHBondContact OD1-CD 3.28Å; D214-P217 WeakPolarHBondContact OD2-CD 3.04Å
215T76.3Confident79.9Confident118 Ų11877.7 Ų77.772%0.72442%0.422SS*.Hα-helixtrans-74.3-32.1-175-50.40000110.8I213 G219I213-T215 PolarHBondContact O-N 3.15Å; T215-G219 PolarHBondContact O-N 2.91Å
216F78.6Confident80.2Confident158 Ų15874.7 Ų74.769%0.69341%0.412SS*.Hα-helixtrans-65.2-57.4-177.2-180-98.1000113.6D214 R218 G219 V220D214-F216 PolarHBondContact OD1-N 2.91Å; D214-F216 VanDerWaalsContact OD1-N 3.1Å; F216-R218 PolarHBondContact O-N 3.33Å; F216-G219 PolarHBondContact O-N 3.31Å; F216-G219 VanDerWaalsContact O-N 3.1Å; F216-V220 HydrophobicContact CE1-CG2 4.25Å; F216-V220 HydrophobicContact CZ-CG2 4.25Å; F216-V220 PolarHBondContact O-N 3.43Å; F216-V220 VanDerWaalsContact O-N 3.08Å
217P79.4Confident80.6Confident16 Ų1677.1 Ų77.110%0.10442%0.419CS..Hα-helixtrans-62.6-32.1178.925-32.9000111.5H53 D214 V220 I221H53-P217 HydrophobicContact CB-CB 3.97Å; H53-P217 HydrophobicContact CB-CG 4.4Å; D214-P217 HydrophobicContact CB-CG 3.63Å; D214-P217 VanDerWaalsContact OD1-CD 3.31Å; D214-P217 WeakPolarHBondContact OD1-CD 3.28Å; D214-P217 WeakPolarHBondContact OD2-CD 3.04Å; P217-V220 PolarHBondContact O-N 2.93Å; P217-I221 VanDerWaalsContact O-CG1 3.25Å; P217-I221 WeakPolarHBondContact O-CG1 3.33Å; P217-I221 PolarHBondContact O-N 3.37Å
218R80.8Confident81.1Confident116 Ų11674.9 Ų74.944%0.43841%0.41SS..Hα-helixtrans-66.2-40.2175.9-163174.8-79.4-132.93.5112F216 I221 L222F216-R218 PolarHBondContact O-N 3.33Å; R218-I221 PolarHBondContact O-N 3.08Å; R218-L222 WeakPolarHBondContact O-CG 3.4Å; R218-L222 PolarHBondContact O-N 3.33Å; R218-L222 VanDerWaalsContact O-N 3.1Å
219G84.6Confident81.3Confident30 Ų3076 Ų7631%0.30941%0.407SS..Hα-helixtrans-60.9-43.9172.100000112.6T215 F216 L222 I223T215-G219 PolarHBondContact O-N 2.91Å; F216-G219 PolarHBondContact O-N 3.31Å; F216-G219 VanDerWaalsContact O-N 3.1Å; G219-L222 PolarHBondContact O-N 2.89Å; G219-I223 WeakPolarHBondContact O-CG1 3.16Å; G219-I223 PolarHBondContact O-N 3.05Å; G219-I223 VanDerWaalsContact O-N 3.13Å
220V83.8Confident81.7Confident57 Ų5776.2 Ų76.235%0.34541%0.405SS..Hα-helixtrans-61.8-44.9176.2176.10000111.3F216 P217 L222 I223 Y224F216-V220 HydrophobicContact CE1-CG2 4.25Å; F216-V220 HydrophobicContact CZ-CG2 4.25Å; F216-V220 PolarHBondContact O-N 3.43Å; F216-V220 VanDerWaalsContact O-N 3.08Å; P217-V220 PolarHBondContact O-N 2.93Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.3Å; V220-I223 PolarHBondContact O-N 3.37Å; V220-Y224 VanDerWaalsContact O-CB 3.29Å; V220-Y224 WeakPolarHBondContact O-CB 3.47Å; V220-Y224 PolarHBondContact O-N 2.74Å
221I85.8Confident82.2Confident39 Ų3974.7 Ų74.720%0.240%0.396CS..Hα-helixtrans-58.9-42177.5-71164.3000111.2L46 I49 P217 R218 Y224 L225L46-I221 HydrophobicContact CD1-CG2 4.35Å; L46-I221 HydrophobicContact CD2-CG2 4Å; L46-I221 HydrophobicContact CG-CG2 4.23Å; I49-I221 HydrophobicContact CG2-CG1 4.47Å; P217-I221 VanDerWaalsContact O-CG1 3.25Å; P217-I221 WeakPolarHBondContact O-CG1 3.33Å; P217-I221 PolarHBondContact O-N 3.37Å; R218-I221 PolarHBondContact O-N 3.08Å; I221-Y224 PolarHBondContact O-N 3.1Å; I221-L225 WeakPolarHBondContact O-CB 3.4Å; I221-L225 PolarHBondContact O-N 3.02Å
222L85.9Confident82.5Confident111 Ų11175.2 Ų75.258%0.58139%0.393SS*.Hα-helixtrans-64.5-45.5178.9-71.6171.6000112.3R218 G219 V220 Y224 L225 V226R218-L222 WeakPolarHBondContact O-CG 3.4Å; R218-L222 PolarHBondContact O-N 3.33Å; R218-L222 VanDerWaalsContact O-N 3.1Å; G219-L222 PolarHBondContact O-N 2.89Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.3Å; L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 PolarHBondContact O-N 3.33Å; L222-L225 PolarHBondContact O-N 3.26Å; L222-V226 PolarHBondContact O-N 3.43Å
223I87.6Confident83.1Confident111 Ų11173.6 Ų73.657%0.56940%0.397SS*.Hα-helixtrans-61.3-44.8175.7-65.7167.8000110G219 V220 L225 V226 I227G219-I223 WeakPolarHBondContact O-CG1 3.16Å; G219-I223 PolarHBondContact O-N 3.05Å; G219-I223 VanDerWaalsContact O-N 3.13Å; V220-I223 PolarHBondContact O-N 3.37Å; I223-L225 VanDerWaalsContact C-N 3.31Å; I223-L225 PolarHBondContact O-N 2.86Å; I223-V226 PolarHBondContact O-N 3.28Å; I223-I227 HydrophobicContact CG2-CD1 4.04Å; I223-I227 WeakPolarHBondContact O-CG1 2.96Å; I223-I227 PolarHBondContact O-N 2.8Å; I223-I227 VanDerWaalsContact O-N 3.07Å
224Y85.9Confident83.7Confident44 Ų4477.1 Ų77.117%0.17341%0.406CS..Hα-helixtrans-62.5-39.4-179.9-160.5-77.8000112F42 W45 L46 I49 V220 I221 L222 V226 I227 A228F42-Y224 HydrophobicContact CB-CE1 3.88Å; F42-Y224 AromaticContact CD1-CE1 3.95Å; F42-Y224 HydrophobicContact CD1-CE1 3.95Å; F42-Y224 AromaticContact CD1-CZ 3.78Å; F42-Y224 WeakPolarHBondContact CD1-OH 3.49Å; F42-Y224 HydrophobicContact CG-CE1 4.41Å; F42-Y224 WeakPolarHBondContact O-CE1 3.28Å; W45-Y224 HydrophobicContact CB-CE1 4.3Å; W45-Y224 WeakPolarHBondContact CB-OH 3.31Å; L46-Y224 HydrophobicContact CB-CD1 3.9Å; L46-Y224 HydrophobicContact CB-CE1 4.13Å; L46-Y224 HydrophobicContact CD1-CD1 4.15Å; L46-Y224 HydrophobicContact CG-CD1 4.26Å; I49-Y224 HydrophobicContact CD1-CD2 4.15Å; I49-Y224 HydrophobicContact CD1-CE2 4.08Å; V220-Y224 VanDerWaalsContact O-CB 3.29Å; V220-Y224 WeakPolarHBondContact O-CB 3.47Å; V220-Y224 PolarHBondContact O-N 2.74Å; I221-Y224 PolarHBondContact O-N 3.1Å; L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 PolarHBondContact O-N 3.33Å; Y224-V226 VanDerWaalsContact C-N 3.34Å; Y224-V226 PolarHBondContact O-N 3.23Å; Y224-I227 PolarHBondContact O-N 3.49Å; Y224-A228 WeakPolarHBondContact O-CB 3.19Å; Y224-A228 PolarHBondContact O-N 3.43Å
225L85.8Confident84.2Confident76 Ų7673.9 Ų73.940%0.39839%0.388SS..Hα-helixtrans-60.3-43.7175.5-172.9146.3000111.2L46 I221 L222 I223 I227 A228 F229L46-L225 HydrophobicContact CD1-CB 4.05Å; I221-L225 WeakPolarHBondContact O-CB 3.4Å; I221-L225 PolarHBondContact O-N 3.02Å; L222-L225 PolarHBondContact O-N 3.26Å; I223-L225 VanDerWaalsContact C-N 3.31Å; I223-L225 PolarHBondContact O-N 2.86Å; L225-I227 VanDerWaalsContact C-N 3.34Å; L225-I227 PolarHBondContact O-N 3.27Å; L225-A228 WeakPolarHBondContact O-CB 3.01Å; L225-A228 PolarHBondContact O-N 3.44Å; L225-F229 HydrophobicContact CD2-CD2 3.77Å; L225-F229 HydrophobicContact CD2-CE2 3.67Å; L225-F229 HydrophobicContact CG-CD2 4.17Å; L225-F229 HydrophobicContact CG-CE2 3.84Å; L225-F229 WeakPolarHBondContact O-CD2 3.36Å; L225-F229 PolarHBondContact O-N 3.45Å
226V88.3Confident84.6Confident101 Ų10173.6 Ų73.661%0.61238%0.382SS*.Hα-helixtrans-61-43.9175.1176.30000111.2L222 I223 Y224 A228 F229 S230L222-V226 PolarHBondContact O-N 3.43Å; I223-V226 PolarHBondContact O-N 3.28Å; Y224-V226 VanDerWaalsContact C-N 3.34Å; Y224-V226 PolarHBondContact O-N 3.23Å; V226-A228 VanDerWaalsContact C-N 3.33Å; V226-A228 PolarHBondContact O-N 2.93Å; V226-F229 PolarHBondContact O-N 2.83Å; V226-S230 PolarHBondContact O-N 2.92Å; V226-S230 VanDerWaalsContact O-N 3.11Å
227I86.3Confident84.8Confident76 Ų7668.4 Ų68.439%0.3937%0.368SS..Hα-helixtrans-62.1-41.9177.1-65.5168.9000110.7F42 I223 Y224 L225 F229 S230 P231F42-I227 HydrophobicContact CE1-CG2 4.25Å; I223-I227 HydrophobicContact CG2-CD1 4.04Å; I223-I227 WeakPolarHBondContact O-CG1 2.96Å; I223-I227 PolarHBondContact O-N 2.8Å; I223-I227 VanDerWaalsContact O-N 3.07Å; Y224-I227 PolarHBondContact O-N 3.49Å; L225-I227 VanDerWaalsContact C-N 3.34Å; L225-I227 PolarHBondContact O-N 3.27Å; I227-F229 PolarHBondContact O-N 3.35Å; I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 3.38Å; I227-S230 VanDerWaalsContact O-N 3.15Å; I227-S230 PolarHBondContact O-OG 3.07Å; I227-P231 VanDerWaalsContact O-CD 3.3Å; I227-P231 WeakPolarHBondContact O-CD 3.07Å
228A86.3Confident85Confident9 Ų971 Ų717%0.07438%0.38CS..Hα-helixtrans-60.3-32.1179.300000113.2F42 Y224 L225 V226 P231F42-A228 HydrophobicContact CB-CB 3.55Å; F42-A228 HydrophobicContact CG-CB 4.32Å; Y224-A228 WeakPolarHBondContact O-CB 3.19Å; Y224-A228 PolarHBondContact O-N 3.43Å; L225-A228 WeakPolarHBondContact O-CB 3.01Å; L225-A228 PolarHBondContact O-N 3.44Å; V226-A228 VanDerWaalsContact C-N 3.33Å; V226-A228 PolarHBondContact O-N 2.93Å; A228-P231 VanDerWaalsContact O-CD 3.32Å; A228-P231 WeakPolarHBondContact O-CD 3.04Å
229F84Confident84.9Confident117 Ų11768 Ų6851%0.51337%0.372SS..Hα-helixtrans-88.8-16.8177.4-72.6-69.4000114.1L225 V226 I227 F232L225-F229 HydrophobicContact CD2-CD2 3.77Å; L225-F229 HydrophobicContact CD2-CE2 3.67Å; L225-F229 HydrophobicContact CG-CD2 4.17Å; L225-F229 HydrophobicContact CG-CE2 3.84Å; L225-F229 WeakPolarHBondContact O-CD2 3.36Å; L225-F229 PolarHBondContact O-N 3.45Å; V226-F229 PolarHBondContact O-N 2.83Å; I227-F229 PolarHBondContact O-N 3.35Å; F229-F232 AromaticContact CD1-CD2 3.92Å; F229-F232 HydrophobicContact CD1-CD2 3.92Å; F229-F232 AromaticContact CD1-CE2 3.88Å; F229-F232 HydrophobicContact CD1-CE2 3.88Å; F229-F232 HydrophobicContact CE1-CE2 4.34Å; F229-F232 PolarHBondContact O-N 3.32Å
230S87.6Confident84.7Confident69 Ų6970.4 Ų70.448%0.48338%0.376SS..Hα-helixtrans-56.9-35.1179.7750000115.4V226 I227 F232 G233 Y234V226-S230 PolarHBondContact O-N 2.92Å; V226-S230 VanDerWaalsContact O-N 3.11Å; I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 3.38Å; I227-S230 VanDerWaalsContact O-N 3.15Å; I227-S230 PolarHBondContact O-OG 3.07Å; S230-F232 VanDerWaalsContact C-N 3.25Å; S230-F232 PolarHBondContact O-N 2.83Å; S230-G233 PolarHBondContact O-N 3.13Å; S230-Y234 PolarHBondContact O-N 3Å; S230-Y234 VanDerWaalsContact O-N 3.08Å
231P85.4Confident84.7Confident13 Ų1371.3 Ų71.38%0.08438%0.382CS..Hα-helixtrans-61.8-32.3179-23.735.7000112.7F38 F42 I227 A228 G233 Y234 F235F38-P231 HydrophobicContact CB-CB 4.48Å; F38-P231 HydrophobicContact CB-CG 4.36Å; F42-P231 HydrophobicContact CE2-CG 4.25Å; I227-P231 VanDerWaalsContact O-CD 3.3Å; I227-P231 WeakPolarHBondContact O-CD 3.07Å; A228-P231 VanDerWaalsContact O-CD 3.32Å; A228-P231 WeakPolarHBondContact O-CD 3.04Å; P231-G233 PolarHBondContact O-N 3.04Å; P231-Y234 PolarHBondContact O-N 2.87Å; P231-F235 HydrophobicContact CB-CD2 4.22Å; P231-F235 HydrophobicContact CB-CE2 4.12Å; P231-F235 WeakPolarHBondContact O-CD2 3.38Å; P231-F235 PolarHBondContact O-N 3.09Å
232F83.4Confident84.4Confident82 Ų8270.9 Ų70.936%0.3638%0.384SS..Hα-helixtrans-61.4-45.2177.3-69.1-67.4000111.7E35 P39 F229 S230 L236E35-F232 HydrophobicContact CG-CD1 4.32Å; P39-F232 HydrophobicContact CB-CE2 3.69Å; P39-F232 HydrophobicContact CB-CZ 3.7Å; P39-F232 HydrophobicContact CG-CD2 4.16Å; P39-F232 HydrophobicContact CG-CE1 3.95Å; P39-F232 HydrophobicContact CG-CE2 3.47Å; P39-F232 VanDerWaalsContact CG-CE2 3.47Å; P39-F232 HydrophobicContact CG-CZ 3.36Å; F229-F232 AromaticContact CD1-CD2 3.92Å; F229-F232 HydrophobicContact CD1-CD2 3.92Å; F229-F232 AromaticContact CD1-CE2 3.88Å; F229-F232 HydrophobicContact CD1-CE2 3.88Å; F229-F232 HydrophobicContact CE1-CE2 4.34Å; F229-F232 PolarHBondContact O-N 3.32Å; S230-F232 VanDerWaalsContact C-N 3.25Å; S230-F232 PolarHBondContact O-N 2.83Å; F232-L236 VanDerWaalsContact O-CB 3.28Å; F232-L236 WeakPolarHBondContact O-CB 3.45Å; F232-L236 PolarHBondContact O-N 3.44Å
233G85.4Confident83.9Confident44 Ų4468 Ų6845%0.45437%0.368SS..Hα-helixtrans-64.8-41.2175.600000112.1S230 P231 L236 A237S230-G233 PolarHBondContact O-N 3.13Å; P231-G233 PolarHBondContact O-N 3.04Å; G233-L236 PolarHBondContact O-N 3.39Å; G233-A237 WeakPolarHBondContact O-CB 3.23Å; G233-A237 PolarHBondContact O-N 2.76Å
234Y84.8Confident83.4Confident153 Ų15370.6 Ų70.660%0.638%0.375SS*.Hα-helixtrans-62.3-49.4178.1178-105.3000112.7S230 P231 A237 I238S230-Y234 PolarHBondContact O-N 3Å; S230-Y234 VanDerWaalsContact O-N 3.08Å; P231-Y234 PolarHBondContact O-N 2.87Å; Y234-A237 PolarHBondContact O-N 3.04Å; Y234-I238 HydrophobicContact CD1-CD1 3.73Å; Y234-I238 HydrophobicContact CD2-CD1 4.36Å; Y234-I238 HydrophobicContact CE1-CD1 3.23Å; Y234-I238 HydrophobicContact CE1-CG1 4.5Å; Y234-I238 HydrophobicContact CE2-CD1 3.92Å; Y234-I238 HydrophobicContact CG-CD1 4.27Å; Y234-I238 WeakPolarHBondContact O-CG1 3.48Å; Y234-I238 PolarHBondContact O-N 3.46Å
235F83.3Confident82.9Confident11 Ų1176 Ų765%0.04840%0.401CS..Hα-helixtrans-65.7-39.3177.6-75.5-65.3000111.8Q34 E35 F38 P231 A237 I238 H239Q34-F235 HydrophobicContact CB-CZ 4.24Å; Q34-F235 HydrophobicContact CG-CZ 3.88Å; E35-F235 HydrophobicContact CB-CD2 3.9Å; E35-F235 HydrophobicContact CB-CE2 4.25Å; E35-F235 HydrophobicContact CB-CG 4.25Å; E35-F235 HydrophobicContact CG-CB 4.23Å; E35-F235 HydrophobicContact CG-CD2 3.93Å; E35-F235 HydrophobicContact CG-CG 4.24Å; F38-F235 HydrophobicContact CD2-CE2 4.08Å; F38-F235 HydrophobicContact CD2-CZ 4.23Å; F38-F235 HydrophobicContact CE2-CZ 4.3Å; P231-F235 HydrophobicContact CB-CD2 4.22Å; P231-F235 HydrophobicContact CB-CE2 4.12Å; P231-F235 WeakPolarHBondContact O-CD2 3.38Å; P231-F235 PolarHBondContact O-N 3.09Å; F235-A237 VanDerWaalsContact C-N 3.35Å; F235-A237 PolarHBondContact O-N 3.11Å; F235-I238 PolarHBondContact O-N 3.39Å; F235-H239 WeakPolarHBondContact O-CB 3.34Å; F235-H239 PolarHBondContact O-CD2 3.22Å; F235-H239 PolarHBondContact O-N 3.12Å
236L82.9Confident82.1Confident112 Ų11279.8 Ų79.859%0.58642%0.415SS*.Hα-helixtrans-59.3-46.1173.8-172.6111.6000111.3F232 G233 H239 I240F232-L236 VanDerWaalsContact O-CB 3.28Å; F232-L236 WeakPolarHBondContact O-CB 3.45Å; F232-L236 PolarHBondContact O-N 3.44Å; G233-L236 PolarHBondContact O-N 3.39Å; L236-H239 PolarHBondContact O-N 3.38Å; L236-I240 HydrophobicContact CD2-CD1 3.74Å; L236-I240 HydrophobicContact CG-CD1 4.02Å; L236-I240 VanDerWaalsContact O-CG1 3.3Å; L236-I240 WeakPolarHBondContact O-CG1 3.45Å; L236-I240 PolarHBondContact O-N 2.95Å
237A84.6Confident80.8Confident50 Ų5081 Ų8141%0.41341%0.412SS..Hα-helixtrans-61.3-45.917800000112G233 Y234 F235 H239 I240 V241G233-A237 WeakPolarHBondContact O-CB 3.23Å; G233-A237 PolarHBondContact O-N 2.76Å; Y234-A237 PolarHBondContact O-N 3.04Å; F235-A237 VanDerWaalsContact C-N 3.35Å; F235-A237 PolarHBondContact O-N 3.11Å; A237-H239 VanDerWaalsContact C-N 3.33Å; A237-H239 PolarHBondContact O-N 3.44Å; A237-I240 PolarHBondContact O-N 3.14Å; A237-V241 WeakPolarHBondContact O-CG2 3.36Å; A237-V241 PolarHBondContact O-N 2.97Å
238I82.2Confident79.5Confident69 Ų6981 Ų8135%0.35441%0.412SS..Hα-helixtrans-59.8-44.4175.5-71.2164.5000111.1Y234 F235 I240 V241 A242Y234-I238 HydrophobicContact CD1-CD1 3.73Å; Y234-I238 HydrophobicContact CD2-CD1 4.36Å; Y234-I238 HydrophobicContact CE1-CD1 3.23Å; Y234-I238 HydrophobicContact CE1-CG1 4.5Å; Y234-I238 HydrophobicContact CE2-CD1 3.92Å; Y234-I238 HydrophobicContact CG-CD1 4.27Å; Y234-I238 WeakPolarHBondContact O-CG1 3.48Å; Y234-I238 PolarHBondContact O-N 3.46Å; F235-I238 PolarHBondContact O-N 3.39Å; I238-I240 VanDerWaalsContact C-N 3.33Å; I238-I240 PolarHBondContact O-N 3.06Å; I238-V241 PolarHBondContact O-N 2.89Å; I238-A242 VanDerWaalsContact O-CB 3.23Å; I238-A242 WeakPolarHBondContact O-CB 3.48Å; I238-A242 PolarHBondContact O-N 3.47Å
239H78.8Confident77.9Confident55 Ų5589 Ų8926%0.25545%0.445SS..Hα-helixtrans-63.2-40179.6-79-58.9000112.1F235 L236 A237 E243F235-H239 WeakPolarHBondContact O-CB 3.34Å; F235-H239 PolarHBondContact O-CD2 3.22Å; F235-H239 PolarHBondContact O-N 3.12Å; L236-H239 PolarHBondContact O-N 3.38Å; A237-H239 VanDerWaalsContact C-N 3.33Å; A237-H239 PolarHBondContact O-N 3.44Å; H239-E243 WeakPolarHBondContact O-CB 3.23Å; H239-E243 PolarHBondContact O-N 2.98Å
240I81.3Confident75.9Confident80 Ų8093 Ų9341%0.4147%0.465SS..Hα-helixtrans-64.9-45.9175.8-68.8165.8000111.1L236 A237 I238 E243 K244L236-I240 HydrophobicContact CD2-CD1 3.74Å; L236-I240 HydrophobicContact CG-CD1 4.02Å; L236-I240 VanDerWaalsContact O-CG1 3.3Å; L236-I240 WeakPolarHBondContact O-CG1 3.45Å; L236-I240 PolarHBondContact O-N 2.95Å; A237-I240 PolarHBondContact O-N 3.14Å; I238-I240 VanDerWaalsContact C-N 3.33Å; I238-I240 PolarHBondContact O-N 3.06Å; I240-E243 PolarHBondContact O-N 3.05Å; I240-K244 PolarHBondContact O-N 3.02Å
241V83.7Confident75.3Confident75 Ų7594.3 Ų94.346%0.45546%0.464SS..Hα-helixtrans-63.3-46.3178.3172.40000110.4A237 I238 E243 K244 E245A237-V241 WeakPolarHBondContact O-CG2 3.36Å; A237-V241 PolarHBondContact O-N 2.97Å; I238-V241 PolarHBondContact O-N 2.89Å; V241-E243 VanDerWaalsContact C-N 3.33Å; V241-E243 PolarHBondContact O-N 3.44Å; V241-K244 WeakPolarHBondContact O-CB 3.25Å; V241-K244 PolarHBondContact O-N 3.49Å; V241-K244 VanDerWaalsContact O-N 3.13Å; V241-E245 HydrophobicContact CG1-CG 4.25Å; V241-E245 PolarHBondContact O-N 2.91Å
242A78.8Confident74.7Confident30 Ų3098.5 Ų98.525%0.24848%0.484CS..Hα-helixtrans-63.9-35.1177.900000112.8I238 K246I238-A242 VanDerWaalsContact O-CB 3.23Å; I238-A242 WeakPolarHBondContact O-CB 3.48Å; I238-A242 PolarHBondContact O-N 3.47Å; A242-K246 VanDerWaalsContact O-CB 3.3Å; A242-K246 WeakPolarHBondContact O-CB 3.34Å; A242-K246 WeakPolarHBondContact O-CG 3.49Å; A242-K246 PolarHBondContact O-N 3.33Å; A242-K246 VanDerWaalsContact O-N 3.1Å
243E74.8Confident74.3Confident52 Ų5299.4 Ų99.424%0.24349%0.491CS..Hα-helixtrans-65.7-40.4173.6-168.6-177.5-172.400111.2K20 H239 I240 V241 K247 I248K20-E243 IonicContact NZ-OE1 2.73Å; K20-E243 PolarHBondContact NZ-OE1 3.49Å; H239-E243 WeakPolarHBondContact O-CB 3.23Å; H239-E243 PolarHBondContact O-N 2.98Å; I240-E243 PolarHBondContact O-N 3.05Å; V241-E243 VanDerWaalsContact C-N 3.33Å; V241-E243 PolarHBondContact O-N 3.44Å; E243-K247 PolarHBondContact O-N 3.38Å; E243-I248 HydrophobicContact CG-CB 4.22Å; E243-I248 PolarHBondContact O-N 3.01Å
244K77.3Confident73.6Confident165 Ų165102.7 Ų102.772%0.71749%0.494SS*.Hα-helixtrans-67.5-48.8176.1-77.5-168.9173.6-172.60112.5I240 V241 K246 K247I240-K244 PolarHBondContact O-N 3.02Å; V241-K244 WeakPolarHBondContact O-CB 3.25Å; V241-K244 PolarHBondContact O-N 3.49Å; V241-K244 VanDerWaalsContact O-N 3.13Å; K244-K246 VanDerWaalsContact C-N 3.34Å; K244-K246 PolarHBondContact O-N 3.49Å; K244-K247 PolarHBondContact O-N 3.2Å
245E76.5Confident72.9Confident157 Ų15799.6 Ų99.673%0.73449%0.487SS*.Hα-helixtrans-64.2-38-178.8-76.1-175.116200112.6V241 K247V241-E245 HydrophobicContact CG1-CG 4.25Å; V241-E245 PolarHBondContact O-N 2.91Å; E245-K247 PolarHBondContact O-N 3.1Å
246K69.3Low72.2Confident156 Ų156105.5 Ų105.568%0.67852%0.516SS*.THydrogen-bonded Turntrans-82.35.3178.8-67.9-178.6-179.2179.90113.8A242 K244 I248A242-K246 VanDerWaalsContact O-CB 3.3Å; A242-K246 WeakPolarHBondContact O-CB 3.34Å; A242-K246 WeakPolarHBondContact O-CG 3.49Å; A242-K246 PolarHBondContact O-N 3.33Å; A242-K246 VanDerWaalsContact O-N 3.1Å; K244-K246 VanDerWaalsContact C-N 3.34Å; K244-K246 PolarHBondContact O-N 3.49Å; K246-I248 HydrophobicContact CB-CD1 3.76Å; K246-I248 HydrophobicContact CB-CG1 3.63Å; K246-I248 HydrophobicContact CD-CD1 4.23Å; K246-I248 PolarHBondContact O-N 3.34Å; K246-I248 VanDerWaalsContact O-N 3.09Å
247K60.9Low71.5Confident127 Ų127105 Ų10555%0.55251%0.511SS*.THydrogen-bonded Turntrans48.136.5-179.5-66.4178.8159.2-133.90113.9E243 K244 E245 K249 E250E243-K247 PolarHBondContact O-N 3.38Å; K244-K247 PolarHBondContact O-N 3.2Å; E245-K247 PolarHBondContact O-N 3.1Å; K247-K249 PolarHBondContact O-N 3.1Å; K247-E250 WeakPolarHBondContact CD-OE2 3.38Å; K247-E250 WeakPolarHBondContact CE-OE2 3.3Å; K247-E250 IonicContact NZ-OE2 2.76Å; K247-E250 PolarHBondContact NZ-OE2 3.46Å; K247-E250 PolarHBondContact O-N 3.45Å
248I58Low70.4Confident76 Ų76109.2 Ų109.239%0.3952%0.519SS..THydrogen-bonded Turntrans-71.77-174.8-51.6172.6000112.4K20 E243 K246K20-I248 PolarHBondContact NZ-O 3.2Å; E243-I248 HydrophobicContact CG-CB 4.22Å; E243-I248 PolarHBondContact O-N 3.01Å; K246-I248 HydrophobicContact CB-CD1 3.76Å; K246-I248 HydrophobicContact CB-CG1 3.63Å; K246-I248 HydrophobicContact CD-CD1 4.23Å; K246-I248 PolarHBondContact O-N 3.34Å; K246-I248 VanDerWaalsContact O-N 3.09Å
249K53.2Low69.5Low177 Ų177112.6 Ų112.677%0.7753%0.533SS*.THydrogen-bonded Turntrans-111.6-12.3175.7-89.7-177.7175.6176.70113.7K247K247-K249 PolarHBondContact O-N 3.1Å
250E41.3Very low68.6Low201 Ų201117.8 Ų117.894%0.93956%0.558SS**  trans-93.80170.1-68.7-178.4166.800109.7K247K247-E250 WeakPolarHBondContact CD-OE2 3.38Å; K247-E250 WeakPolarHBondContact CE-OE2 3.3Å; K247-E250 IonicContact NZ-OE2 2.76Å; K247-E250 PolarHBondContact NZ-OE2 3.46Å; K247-E250 PolarHBondContact O-N 3.45Å

Retrieved 250 of 250 residues in 73.5 ms (Link to these results)

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