A0A077ZM05_TRITR Loading...

Zf-CCHC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM05, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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
1M43.6Very low42.3Very low243 Ų243150.3 Ų150.3100%1.19779%0.79SS**  097.50-72.6171.184.500108.1
2S45.3Very low42.5Very low111 Ų111149.3 Ų149.378%0.77678%0.783SS**  trans-172.367.2159.134.60000106.5S4S2-S4 PolarHBondContact O-N 2.66Å
3E40Very low43.4Very low203 Ų203149.8 Ų149.895%0.94979%0.787SS**  trans-65107.5155.9-72.9172.4156.500106.5
4S43.8Very low44.1Very low107 Ų107143.2 Ų143.275%0.74876%0.76SS**  trans-141.268166.955.90000108.9S2S2-S4 PolarHBondContact O-N 2.66Å
5E37.4Very low45.3Very low143 Ų143140.7 Ų140.767%0.66875%0.751SS**  trans-89.2140.6136.9-93.6-174.116600106.8R7E5-R7 HydrophobicContact CG-CG 4.43Å; E5-R7 WeakPolarHBondContact OE1-CD 3.49Å; E5-R7 IonicContact OE1-NE 3.82Å
6P42.4Very low46.8Very low107 Ų107137.3 Ų137.370%0.69574%0.737SS**  -126.5122.767.227.2-10.1000112.1I8P6-I8 HydrophobicContact CB-CG1 4.34Å; P6-I8 HydrophobicContact CG-CG1 4.44Å; P6-I8 PolarHBondContact O-N 2.86Å
7R41Very low48.7Very low203 Ų203133.7 Ų133.777%0.76672%0.718SS**  trans-56.487.4148.7-72.7173.4171.9172-2.9107.8E5 A9E5-R7 HydrophobicContact CG-CG 4.43Å; E5-R7 WeakPolarHBondContact OE1-CD 3.49Å; E5-R7 IonicContact OE1-NE 3.82Å; R7-A9 HydrophobicContact CB-CB 4.38Å; R7-A9 PolarHBondContact O-N 2.74Å
8I43.7Very low50.3Low151 Ų151127.1 Ų127.177%0.77468%0.683SS**  trans-72.662153.5-49.9-179.5000106.3P6P6-I8 HydrophobicContact CB-CG1 4.34Å; P6-I8 HydrophobicContact CG-CG1 4.44Å; P6-I8 PolarHBondContact O-N 2.86Å
9A42Very low52Low77 Ų77132.2 Ų132.264%0.63669%0.692SS**  trans-100.339.916100000107.3R7 C11R7-A9 HydrophobicContact CB-CB 4.38Å; R7-A9 PolarHBondContact O-N 2.74Å; A9-C11 PolarHBondContact O-N 2.79Å
10Y44.9Very low53.5Low213 Ų213128.7 Ų128.784%0.83568%0.677SS**  trans-68.198167.4-131.7-87.9000106I12Y10-I12 PolarHBondContact O-N 2.75Å
11C41Very low54.9Low95 Ų95123.1 Ų123.164%0.64265%0.648SS**  trans-18.892.3160.6-50.60000112.1A9 N13A9-C11 PolarHBondContact O-N 2.79Å; C11-N13 HydrophobicContact CB-CB 4.5Å; C11-N13 PolarHBondContact O-N 3.4Å
12I45.3Very low56.5Low138 Ų138117.2 Ų117.271%0.70862%0.617SS**  trans-75.673.7155.6-55.2-180000105Y10 S14Y10-I12 PolarHBondContact O-N 2.75Å; I12-S14 WeakPolarHBondContact CG2-OG 3.2Å; I12-S14 PolarHBondContact O-N 3.25Å
13N53.8Low57.6Low156 Ų156117.9 Ų117.983%0.83461%0.612SS**  trans-74.343.3169.6-107.910.9000110.1C11C11-N13 HydrophobicContact CB-CB 4.5Å; C11-N13 PolarHBondContact O-N 3.4Å
14S53.4Low59.1Low58 Ų58110.4 Ų110.441%0.40659%0.59SS.*  trans-121.880.7177.956.80000108.7I12 T16I12-S14 WeakPolarHBondContact CG2-OG 3.2Å; I12-S14 PolarHBondContact O-N 3.25Å; S14-T16 PolarHBondContact O-N 3.43Å; S14-T16 PolarHBondContact O-OG1 2.81Å
15V61.8Low60.6Low105 Ų105109 Ų10964%0.63657%0.574SS**  trans-61.575.2161.2178.30000106.8L17V15-L17 HydrophobicContact CG1-CD1 3.53Å; V15-L17 HydrophobicContact CG1-CD2 4.36Å; V15-L17 HydrophobicContact CG1-CG 3.52Å; V15-L17 PolarHBondContact O-N 3.18Å
16T70.1Confident62.7Low86 Ų86102.6 Ų102.653%0.52854%0.543SS..  trans-78.882.3173.5-44.50000104.5S14 C36S14-T16 PolarHBondContact O-N 3.43Å; S14-T16 PolarHBondContact O-OG1 2.81Å; T16-C36 VanDerWaalsContact O-CB 3.22Å; T16-C36 WeakPolarHBondContact O-CB 3.2Å; T16-C36 PolarHBondContact O-SG 2.71Å
17L77.8Confident64.5Low77 Ų77101 Ų10140%0.40353%0.532SS..PPolyproline II helixtrans-77.2138169.3-72164.4000107.7V15 W42 L54V15-L17 HydrophobicContact CG1-CD1 3.53Å; V15-L17 HydrophobicContact CG1-CD2 4.36Å; V15-L17 HydrophobicContact CG1-CG 3.52Å; V15-L17 PolarHBondContact O-N 3.18Å; L17-W42 HydrophobicContact CD2-CH2 3.42Å; L17-W42 VanDerWaalsContact CD2-CH2 3.42Å; L17-W42 HydrophobicContact CD2-CZ2 3.95Å; L17-L54 HydrophobicContact CB-CD2 4.43Å; L17-L54 HydrophobicContact CD2-CD1 4.13Å; L17-L54 HydrophobicContact CD2-CD2 4.33Å
18P77.6Confident66.4Low15 Ų1596.9 Ų96.910%0.09752%0.521CS..PPolyproline II helixtrans-59.815316730.7-34.9000108.4W29 K32 F33 L54P18-W29 HydrophobicContact CG-CZ2 4Å; P18-K32 HydrophobicContact CB-CB 4.42Å; P18-F33 HydrophobicContact CG-CB 4.22Å; P18-F33 HydrophobicContact CG-CD2 4.26Å; P18-L54 HydrophobicContact CG-CD1 4.08Å
19R82.3Confident68.4Low224 Ų22490.8 Ų90.885%0.84549%0.489SS*.PPolyproline II helixtrans-54.1144171-66.6-174.9178.9-169.6-1.2109.3F21 W29R19-F21 PolarHBondContact O-N 3.19Å; R19-W29 PolarHBondContact O-NE1 3.48Å
20P83.7Confident70.6Confident61 Ų6187.6 Ų87.640%0.39646%0.461SS..PPolyproline II helixtrans-50.9141.4173.9-2533.5000111.4L54 E56P20-L54 CarbonylContact C-O 3.54Å; P20-L54 WeakPolarHBondContact CA-O 3.39Å; P20-E56 HydrophobicContact CB-CB 4.48Å; P20-E56 HydrophobicContact CB-CG 3.8Å; P20-E56 WeakPolarHBondContact CB-OE1 3.26Å; P20-E56 WeakPolarHBondContact CG-OE1 3.26Å
21F82.2Confident72.5Confident13 Ų1382.9 Ų82.96%0.05745%0.449CS..BIsolated β-bridgetrans-91.9109.2178.7-179.6-99.8000109.6R19 F26 W29 L54 L55 E56 A59 L85R19-F21 PolarHBondContact O-N 3.19Å; F21-F26 HydrophobicContact CD1-CD2 4.05Å; F21-F26 HydrophobicContact CE1-CB 4.23Å; F21-F26 AromaticContact CE1-CD2 3.89Å; F21-F26 HydrophobicContact CE1-CD2 3.89Å; F21-F26 HydrophobicContact CE2-CB 4.31Å; F21-F26 HydrophobicContact CG-CD2 4.48Å; F21-F26 HydrophobicContact CZ-CB 3.79Å; F21-F26 HydrophobicContact CZ-CD2 4.16Å; F21-F26 HydrophobicContact CZ-CG 4.49Å; F21-W29 HydrophobicContact CB-CD2 3.67Å; F21-W29 HydrophobicContact CB-CE3 4.16Å; F21-W29 HydrophobicContact CB-CG 3.95Å; F21-W29 HydrophobicContact CB-CH2 4.42Å; F21-W29 HydrophobicContact CB-CZ2 3.97Å; F21-W29 HydrophobicContact CD2-CB 3.72Å; F21-W29 AromaticContact CD2-CD1 4Å; F21-W29 HydrophobicContact CD2-CD2 4.12Å; F21-W29 AromaticContact CD2-CG 3.66Å; F21-W29 HydrophobicContact CD2-CG 3.66Å; F21-W29 HydrophobicContact CE2-CB 4.21Å; F21-W29 HydrophobicContact CG-CD2 4.1Å; F21-W29 HydrophobicContact CG-CE3 4.42Å; F21-W29 HydrophobicContact CG-CG 4.12Å; F21-L54 PolarHBondContact N-O 3.29Å; F21-L55 HydrophobicContact CB-CD2 4.21Å; F21-L55 HydrophobicContact CD1-CD2 4Å; F21-E56 PolarHBondContact O-N 2.9Å; F21-A59 HydrophobicContact CD1-CB 3.48Å; F21-A59 VanDerWaalsContact CD1-CB 3.48Å; F21-A59 HydrophobicContact CE1-CB 3.71Å; F21-L85 HydrophobicContact CE1-CD1 4.07Å
22E76.2Confident74.7Confident118 Ų11884.4 Ų84.455%0.55145%0.445SS*.  trans-99.9-50175.1-173.5178.9-168.900110.9
23N69.9Low76.8Confident125 Ų12577.9 Ų77.967%0.66841%0.412SS*.SBendtrans-151.5160.1-179.457.94.7000111.8
24G70.4Confident78.4Confident47 Ų4772.7 Ų72.749%0.48538%0.383SS..SBendtrans117.5-153.2174.200000114.7F26G24-F26 PolarHBondContact O-N 2.98Å; G24-F26 VanDerWaalsContact O-N 3.15Å
25N75.7Confident80Confident78 Ų7875.7 Ų75.742%0.41739%0.393SS..  trans-79.697.2-178.3-171.5-15000110.9T27 E28 W29N25-T27 PolarHBondContact O-N 3.4Å; N25-T27 WeakPolarHBondContact OD1-CB 3.32Å; N25-T27 PolarHBondContact OD1-N 3.34Å; N25-E28 HydrophobicContact CB-CB 4.19Å; N25-E28 HydrophobicContact CB-CG 4.29Å; N25-E28 VanDerWaalsContact ND2-CD 3.32Å; N25-E28 WeakPolarHBondContact ND2-CG 3.36Å; N25-E28 PolarHBondContact ND2-OE1 2.8Å; N25-E28 PolarHBondContact O-N 2.71Å; N25-E28 PolarHBondContact OD1-N 2.89Å; N25-W29 PolarHBondContact O-N 2.93Å; N25-W29 VanDerWaalsContact O-N 3.11Å
26F81.6Confident81.1Confident7 Ų771.5 Ų71.53%0.03137%0.368CS..Hα-helixtrans-56.7-35.1177.8-179-111.2000112.8F21 G24 W29 L30 L55 L81 K82 L85F21-F26 HydrophobicContact CD1-CD2 4.05Å; F21-F26 HydrophobicContact CE1-CB 4.23Å; F21-F26 AromaticContact CE1-CD2 3.89Å; F21-F26 HydrophobicContact CE1-CD2 3.89Å; F21-F26 HydrophobicContact CE2-CB 4.31Å; F21-F26 HydrophobicContact CG-CD2 4.48Å; F21-F26 HydrophobicContact CZ-CB 3.79Å; F21-F26 HydrophobicContact CZ-CD2 4.16Å; F21-F26 HydrophobicContact CZ-CG 4.49Å; G24-F26 PolarHBondContact O-N 2.98Å; G24-F26 VanDerWaalsContact O-N 3.15Å; F26-W29 HydrophobicContact CD2-CE3 4.1Å; F26-W29 AromaticContact CE2-CE3 3.89Å; F26-W29 HydrophobicContact CE2-CE3 3.89Å; F26-W29 AromaticContact CE2-CZ3 3.93Å; F26-W29 HydrophobicContact CE2-CZ3 3.93Å; F26-W29 PolarHBondContact O-N 2.87Å; F26-L30 HydrophobicContact CE1-CD2 4.45Å; F26-L30 HydrophobicContact CZ-CD1 4.41Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.16Å; F26-L55 HydrophobicContact CE2-CD2 4.08Å; F26-L81 HydrophobicContact CE1-CB 3.67Å; F26-L81 HydrophobicContact CZ-CB 3.65Å; F26-L81 HydrophobicContact CZ-CD1 4.11Å; F26-K82 HydrophobicContact CD1-CB 4.43Å; F26-K82 HydrophobicContact CD1-CG 3.89Å; F26-K82 HydrophobicContact CE1-CG 3.85Å; F26-L85 HydrophobicContact CB-CB 4.08Å; F26-L85 HydrophobicContact CB-CD1 4.32Å; F26-L85 HydrophobicContact CD1-CB 4.49Å; F26-L85 HydrophobicContact CD1-CD1 4.13Å; F26-L85 HydrophobicContact CD2-CD1 3.38Å; F26-L85 HydrophobicContact CE1-CD1 4.29Å; F26-L85 HydrophobicContact CE2-CD1 3.59Å; F26-L85 HydrophobicContact CG-CB 4.16Å; F26-L85 HydrophobicContact CG-CD1 3.67Å; F26-L85 HydrophobicContact CZ-CD1 4.04Å
27T81.2Confident82Confident74 Ų7467.4 Ų67.445%0.45434%0.343SS..Hα-helixtrans-66-43.5-179.3-52.60000111.9N25 L30 L31N25-T27 PolarHBondContact O-N 3.4Å; N25-T27 WeakPolarHBondContact OD1-CB 3.32Å; N25-T27 PolarHBondContact OD1-N 3.34Å; T27-L30 PolarHBondContact O-N 3.36Å; T27-L31 WeakPolarHBondContact O-CG 3.49Å; T27-L31 PolarHBondContact O-N 3.38Å; T27-L31 VanDerWaalsContact O-N 3.09Å
28E79.9Confident82.4Confident116 Ų11668.7 Ų68.754%0.54235%0.351SS..Hα-helixtrans-67.4-40.7176.3-77.4173.3-149.500112.1N25 L30 L31 K32N25-E28 HydrophobicContact CB-CB 4.19Å; N25-E28 HydrophobicContact CB-CG 4.29Å; N25-E28 VanDerWaalsContact ND2-CD 3.32Å; N25-E28 WeakPolarHBondContact ND2-CG 3.36Å; N25-E28 PolarHBondContact ND2-OE1 2.8Å; N25-E28 PolarHBondContact O-N 2.71Å; N25-E28 PolarHBondContact OD1-N 2.89Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L31 PolarHBondContact O-N 2.88Å; E28-K32 PolarHBondContact O-N 2.91Å
29W85.6Confident82.7Confident23 Ų2371.6 Ų71.69%0.08738%0.376CS..Hα-helixtrans-63.4-41175.6179.689.6000111.4P18 R19 F21 N25 F26 L31 K32 F33 L51 L54 L55P18-W29 HydrophobicContact CG-CZ2 4Å; R19-W29 PolarHBondContact O-NE1 3.48Å; F21-W29 HydrophobicContact CB-CD2 3.67Å; F21-W29 HydrophobicContact CB-CE3 4.16Å; F21-W29 HydrophobicContact CB-CG 3.95Å; F21-W29 HydrophobicContact CB-CH2 4.42Å; F21-W29 HydrophobicContact CB-CZ2 3.97Å; F21-W29 HydrophobicContact CD2-CB 3.72Å; F21-W29 AromaticContact CD2-CD1 4Å; F21-W29 HydrophobicContact CD2-CD2 4.12Å; F21-W29 AromaticContact CD2-CG 3.66Å; F21-W29 HydrophobicContact CD2-CG 3.66Å; F21-W29 HydrophobicContact CE2-CB 4.21Å; F21-W29 HydrophobicContact CG-CD2 4.1Å; F21-W29 HydrophobicContact CG-CE3 4.42Å; F21-W29 HydrophobicContact CG-CG 4.12Å; N25-W29 PolarHBondContact O-N 2.93Å; N25-W29 VanDerWaalsContact O-N 3.11Å; F26-W29 HydrophobicContact CD2-CE3 4.1Å; F26-W29 AromaticContact CE2-CE3 3.89Å; F26-W29 HydrophobicContact CE2-CE3 3.89Å; F26-W29 AromaticContact CE2-CZ3 3.93Å; F26-W29 HydrophobicContact CE2-CZ3 3.93Å; F26-W29 PolarHBondContact O-N 2.87Å; W29-L31 VanDerWaalsContact C-N 3.34Å; W29-L31 PolarHBondContact O-N 3.47Å; W29-K32 WeakPolarHBondContact O-CB 3.3Å; W29-K32 PolarHBondContact O-N 2.93Å; W29-K32 VanDerWaalsContact O-N 3.11Å; W29-F33 HydrophobicContact CE3-CB 4.45Å; W29-F33 HydrophobicContact CH2-CB 4.27Å; W29-F33 AromaticContact CH2-CD2 3.96Å; W29-F33 HydrophobicContact CH2-CD2 3.96Å; W29-F33 HydrophobicContact CH2-CG 4.32Å; W29-F33 HydrophobicContact CZ2-CD2 4.44Å; W29-F33 HydrophobicContact CZ3-CB 4.2Å; W29-F33 HydrophobicContact CZ3-CG 4.43Å; W29-F33 PolarHBondContact O-N 3.3Å; W29-L51 HydrophobicContact CH2-CD1 4Å; W29-L51 HydrophobicContact CZ3-CD1 3.69Å; W29-L54 HydrophobicContact CH2-CB 3.89Å; W29-L54 HydrophobicContact CH2-CD1 4.41Å; W29-L54 HydrophobicContact CZ2-CB 3.7Å; W29-L54 HydrophobicContact CZ2-CD1 4.24Å; W29-L55 HydrophobicContact CH2-CD2 4.3Å; W29-L55 HydrophobicContact CZ3-CD2 4.21Å
30L87.9Confident82.8Confident11 Ų1163.3 Ų63.36%0.05835%0.348CS..Hα-helixtrans-61.8-39.9176.9-177.270.9000111.9F26 T27 E28 K32 F33 E34 L51 V78 K82F26-L30 HydrophobicContact CE1-CD2 4.45Å; F26-L30 HydrophobicContact CZ-CD1 4.41Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.16Å; T27-L30 PolarHBondContact O-N 3.36Å; E28-L30 VanDerWaalsContact C-N 3.31Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.41Å; L30-F33 HydrophobicContact CD1-CD1 4.31Å; L30-F33 WeakPolarHBondContact O-CB 3.44Å; L30-F33 PolarHBondContact O-N 3.26Å; L30-F33 VanDerWaalsContact O-N 3.15Å; L30-E34 HydrophobicContact CG-CG 4.49Å; L30-E34 VanDerWaalsContact O-CG 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.36Å; L30-E34 PolarHBondContact O-N 3.03Å; L30-L51 HydrophobicContact CD1-CD1 4.3Å; L30-V78 HydrophobicContact CD1-CG1 4.47Å; L30-V78 HydrophobicContact CD1-CG2 4.2Å; L30-V78 HydrophobicContact CD2-CG1 3.43Å; L30-V78 VanDerWaalsContact CD2-CG1 3.43Å; L30-K82 VanDerWaalsContact CD2-CE 3.46Å
31L86.2Confident82.8Confident113 Ų11363.7 Ų63.759%0.59236%0.363SS*.Hα-helixtrans-58.8-40.3173.9-71.9174.6000111.9T27 E28 W29 E34 L35T27-L31 WeakPolarHBondContact O-CG 3.49Å; T27-L31 PolarHBondContact O-N 3.38Å; T27-L31 VanDerWaalsContact O-N 3.09Å; E28-L31 PolarHBondContact O-N 2.88Å; W29-L31 VanDerWaalsContact C-N 3.34Å; W29-L31 PolarHBondContact O-N 3.47Å; L31-E34 PolarHBondContact O-N 3Å; L31-L35 VanDerWaalsContact O-CG 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.42Å; L31-L35 PolarHBondContact O-N 3.5Å
32K86.2Confident83Confident128 Ų12865.1 Ų65.156%0.55737%0.369SS*.Hα-helixtrans-66.7-43174.7-65.4175.5-177.2171.70111.3P18 E28 W29 L30 E34 L35 C36P18-K32 HydrophobicContact CB-CB 4.42Å; E28-K32 PolarHBondContact O-N 2.91Å; W29-K32 WeakPolarHBondContact O-CB 3.3Å; W29-K32 PolarHBondContact O-N 2.93Å; W29-K32 VanDerWaalsContact O-N 3.11Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.41Å; K32-E34 VanDerWaalsContact C-N 3.3Å; K32-E34 PolarHBondContact O-N 3.34Å; K32-L35 PolarHBondContact O-N 2.79Å; K32-C36 WeakPolarHBondContact O-CB 3.37Å; K32-C36 PolarHBondContact O-N 3.44Å; K32-C36 PolarHBondContact O-SG 2.86Å
33F88.3Confident83.5Confident0 Ų063.9 Ų63.90%037%0.366CS..Hα-helixtrans-57-44.3174.6175.5-90.3000111.8P18 W29 L30 C36 A37 W42 K47 K50 L51 L54 Y74P18-F33 HydrophobicContact CG-CB 4.22Å; P18-F33 HydrophobicContact CG-CD2 4.26Å; W29-F33 HydrophobicContact CE3-CB 4.45Å; W29-F33 HydrophobicContact CH2-CB 4.27Å; W29-F33 AromaticContact CH2-CD2 3.96Å; W29-F33 HydrophobicContact CH2-CD2 3.96Å; W29-F33 HydrophobicContact CH2-CG 4.32Å; W29-F33 HydrophobicContact CZ2-CD2 4.44Å; W29-F33 HydrophobicContact CZ3-CB 4.2Å; W29-F33 HydrophobicContact CZ3-CG 4.43Å; W29-F33 PolarHBondContact O-N 3.3Å; L30-F33 HydrophobicContact CD1-CD1 4.31Å; L30-F33 WeakPolarHBondContact O-CB 3.44Å; L30-F33 PolarHBondContact O-N 3.26Å; L30-F33 VanDerWaalsContact O-N 3.15Å; F33-C36 WeakPolarHBondContact O-CB 3.5Å; F33-C36 PolarHBondContact O-N 2.84Å; F33-A37 HydrophobicContact CE1-CB 4.43Å; F33-A37 VanDerWaalsContact O-CB 3.24Å; F33-A37 WeakPolarHBondContact O-CB 3.42Å; F33-A37 PolarHBondContact O-N 3Å; F33-W42 HydrophobicContact CD2-CZ3 4.49Å; F33-W42 HydrophobicContact CE2-CE3 4.47Å; F33-W42 AromaticContact CE2-CZ3 3.68Å; F33-W42 HydrophobicContact CE2-CZ3 3.68Å; F33-W42 HydrophobicContact CZ-CE3 4.18Å; F33-W42 AromaticContact CZ-CZ3 3.81Å; F33-W42 HydrophobicContact CZ-CZ3 3.81Å; F33-K47 HydrophobicContact CE1-CB 4.15Å; F33-K47 HydrophobicContact CE1-CG 4.18Å; F33-K47 HydrophobicContact CZ-CB 4.33Å; F33-K50 HydrophobicContact CE2-CB 4.42Å; F33-K50 HydrophobicContact CZ-CB 4.43Å; F33-L51 HydrophobicContact CD1-CD1 4.21Å; F33-L51 HydrophobicContact CD2-CD1 4.38Å; F33-L51 HydrophobicContact CE1-CD1 4.11Å; F33-L51 HydrophobicContact CE2-CD1 4.26Å; F33-L51 HydrophobicContact CG-CD1 4.35Å; F33-L51 HydrophobicContact CZ-CB 4.12Å; F33-L51 HydrophobicContact CZ-CD1 4.12Å; F33-L54 HydrophobicContact CD2-CD1 3.62Å; F33-L54 HydrophobicContact CE2-CD1 3.61Å; F33-Y74 HydrophobicContact CE1-CE2 4.3Å; F33-Y74 WeakPolarHBondContact CE1-OH 3.41Å
34E87.6Confident84.2Confident48 Ų4862 Ų6222%0.22436%0.356CS..Hα-helixtrans-65.8-40.8178.3-69.8-75-164.600112.4L30 L31 K32 C36 A37 N38 K47 Y74L30-E34 HydrophobicContact CG-CG 4.49Å; L30-E34 VanDerWaalsContact O-CG 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.36Å; L30-E34 PolarHBondContact O-N 3.03Å; L31-E34 PolarHBondContact O-N 3Å; K32-E34 VanDerWaalsContact C-N 3.3Å; K32-E34 PolarHBondContact O-N 3.34Å; E34-C36 VanDerWaalsContact C-N 3.34Å; E34-C36 PolarHBondContact O-N 3.14Å; E34-A37 PolarHBondContact O-N 3.13Å; E34-N38 WeakPolarHBondContact O-CB 3.25Å; E34-N38 PolarHBondContact O-N 3.33Å; E34-N38 PolarHBondContact O-ND2 2.92Å; E34-K47 IonicContact OE2-NZ 2.62Å; E34-K47 PolarHBondContact OE2-NZ 2.65Å; E34-Y74 WeakPolarHBondContact OE1-CE1 3.24Å; E34-Y74 PolarHBondContact OE1-OH 2.72Å
35L86.9Confident84.9Confident120 Ų12061.9 Ų61.963%0.62835%0.35SS*.Hα-helixtrans-60.8-44.5173.5-72.7168.5000111.5L31 K32 N38 A39L31-L35 VanDerWaalsContact O-CG 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.42Å; L31-L35 PolarHBondContact O-N 3.5Å; K32-L35 PolarHBondContact O-N 2.79Å; L35-N38 PolarHBondContact O-N 2.81Å; L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.87Å
36C86.7Confident85.4Confident17 Ų1760.6 Ų60.612%0.11535%0.345CS..Hα-helixtrans-65.2-40.6175.4-67.10000111.9T16 K32 F33 E34 A39 N40T16-C36 VanDerWaalsContact O-CB 3.22Å; T16-C36 WeakPolarHBondContact O-CB 3.2Å; T16-C36 PolarHBondContact O-SG 2.71Å; K32-C36 WeakPolarHBondContact O-CB 3.37Å; K32-C36 PolarHBondContact O-N 3.44Å; K32-C36 PolarHBondContact O-SG 2.86Å; F33-C36 WeakPolarHBondContact O-CB 3.5Å; F33-C36 PolarHBondContact O-N 2.84Å; E34-C36 VanDerWaalsContact C-N 3.34Å; E34-C36 PolarHBondContact O-N 3.14Å; C36-A39 PolarHBondContact O-N 3.43Å; C36-N40 WeakPolarHBondContact O-CB 3.26Å; C36-N40 VanDerWaalsContact O-CG 3.3Å; C36-N40 PolarHBondContact O-N 3.03Å; C36-N40 PolarHBondContact O-ND2 3.06Å
37A87.5Confident85.6Confident0 Ų061 Ų610%035%0.347CS..Hα-helixtrans-66-41.1178.700000111.2F33 E34 N40 G41 W42 K47F33-A37 HydrophobicContact CE1-CB 4.43Å; F33-A37 VanDerWaalsContact O-CB 3.24Å; F33-A37 WeakPolarHBondContact O-CB 3.42Å; F33-A37 PolarHBondContact O-N 3Å; E34-A37 PolarHBondContact O-N 3.13Å; A37-N40 CarbonylContact O-C 3.56Å; A37-N40 PolarHBondContact O-N 3.34Å; A37-G41 PolarHBondContact O-N 2.85Å; A37-W42 HydrophobicContact CB-CB 4.14Å; A37-W42 HydrophobicContact CB-CD2 4.16Å; A37-W42 HydrophobicContact CB-CE3 3.57Å; A37-W42 HydrophobicContact CB-CG 4.43Å; A37-W42 HydrophobicContact CB-CZ3 4.3Å; A37-W42 PolarHBondContact O-N 3.39Å; A37-K47 HydrophobicContact CB-CD 4.1Å; A37-K47 HydrophobicContact CB-CG 3.94Å
38N86.1Confident85.8Confident104 Ų10461.8 Ų61.856%0.55634%0.341SS*.Hα-helixtrans-65.2-42.4174-68.3-16.7000111.5E34 L35 N40 G41E34-N38 WeakPolarHBondContact O-CB 3.25Å; E34-N38 PolarHBondContact O-N 3.33Å; E34-N38 PolarHBondContact O-ND2 2.92Å; L35-N38 PolarHBondContact O-N 2.81Å; N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.14Å; N38-G41 PolarHBondContact O-N 2.91Å; N38-G41 VanDerWaalsContact O-N 3.16Å
39A83.9Confident86Confident77 Ų7762.4 Ų62.464%0.63635%0.348SS*.Hα-helixtrans-63.7-33176.500000112.9L35 C36L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.87Å; C36-A39 PolarHBondContact O-N 3.43Å
40N85.3Confident86Confident49 Ų4965.6 Ų65.626%0.26236%0.362SS..THydrogen-bonded Turntrans-89.4-1176.5-65.3-48000113.7C36 A37 N38 W42C36-N40 WeakPolarHBondContact O-CB 3.26Å; C36-N40 VanDerWaalsContact O-CG 3.3Å; C36-N40 PolarHBondContact O-N 3.03Å; C36-N40 PolarHBondContact O-ND2 3.06Å; A37-N40 CarbonylContact O-C 3.56Å; A37-N40 PolarHBondContact O-N 3.34Å; N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.14Å; N40-W42 HydrophobicContact CB-CD2 4.28Å; N40-W42 HydrophobicContact CB-CG 4.18Å; N40-W42 HydrophobicContact CB-CZ2 4.38Å; N40-W42 PolarHBondContact O-N 3.01Å
41G83.6Confident85.9Confident69 Ų6965.1 Ų65.171%0.71136%0.36SS*.THydrogen-bonded Turntrans64.933.9-178.700000114.5A37 N38A37-G41 PolarHBondContact O-N 2.85Å; N38-G41 PolarHBondContact O-N 2.91Å; N38-G41 VanDerWaalsContact O-N 3.16Å
42W86.6Confident85.8Confident44 Ų4460.3 Ų60.317%0.16734%0.335CS..  trans-76.4132.5-179.9-64.1-6.6000112L17 F33 A37 N40 V46 K47 K50L17-W42 HydrophobicContact CD2-CH2 3.42Å; L17-W42 VanDerWaalsContact CD2-CH2 3.42Å; L17-W42 HydrophobicContact CD2-CZ2 3.95Å; F33-W42 HydrophobicContact CD2-CZ3 4.49Å; F33-W42 HydrophobicContact CE2-CE3 4.47Å; F33-W42 AromaticContact CE2-CZ3 3.68Å; F33-W42 HydrophobicContact CE2-CZ3 3.68Å; F33-W42 HydrophobicContact CZ-CE3 4.18Å; F33-W42 AromaticContact CZ-CZ3 3.81Å; F33-W42 HydrophobicContact CZ-CZ3 3.81Å; A37-W42 HydrophobicContact CB-CB 4.14Å; A37-W42 HydrophobicContact CB-CD2 4.16Å; A37-W42 HydrophobicContact CB-CE3 3.57Å; A37-W42 HydrophobicContact CB-CG 4.43Å; A37-W42 HydrophobicContact CB-CZ3 4.3Å; A37-W42 PolarHBondContact O-N 3.39Å; N40-W42 HydrophobicContact CB-CD2 4.28Å; N40-W42 HydrophobicContact CB-CG 4.18Å; N40-W42 HydrophobicContact CB-CZ2 4.38Å; N40-W42 PolarHBondContact O-N 3.01Å; W42-V46 HydrophobicContact CB-CB 4.16Å; W42-V46 HydrophobicContact CB-CG1 3.94Å; W42-V46 HydrophobicContact CD2-CG1 3.9Å; W42-V46 HydrophobicContact CG-CB 4.36Å; W42-V46 HydrophobicContact CG-CG1 3.62Å; W42-K47 HydrophobicContact CB-CG 3.97Å; W42-K47 HydrophobicContact CE3-CG 4.36Å; W42-K47 VanDerWaalsContact O-CE 3.31Å; W42-K47 WeakPolarHBondContact O-CE 3.38Å; W42-K50 HydrophobicContact CE3-CB 4.23Å; W42-K50 HydrophobicContact CE3-CG 4.27Å; W42-K50 HydrophobicContact CH2-CB 3.9Å; W42-K50 HydrophobicContact CH2-CD 4.36Å; W42-K50 HydrophobicContact CH2-CG 3.85Å; W42-K50 HydrophobicContact CZ2-CG 4.16Å; W42-K50 HydrophobicContact CZ3-CB 3.66Å; W42-K50 HydrophobicContact CZ3-CG 3.93Å
43D85.9Confident85.8Confident92 Ų9258.8 Ų58.849%0.49234%0.337SS..  trans-80.2170.2168.669.80000111.5A45 V46 K47D43-A45 PolarHBondContact O-N 3.25Å; D43-A45 VanDerWaalsContact O-N 3.13Å; D43-A45 PolarHBondContact OD1-N 3.25Å; D43-V46 PolarHBondContact O-N 3.05Å; D43-V46 VanDerWaalsContact OD1-CB 3.27Å; D43-V46 WeakPolarHBondContact OD1-CB 3.47Å; D43-V46 WeakPolarHBondContact OD1-CG2 3.46Å; D43-V46 PolarHBondContact OD1-N 3.46Å; D43-K47 WeakPolarHBondContact O-CG 3.4Å; D43-K47 PolarHBondContact O-N 3.3Å
44D85.1Confident85.7Confident85 Ų8559.4 Ų59.446%0.45534%0.34SS..Hα-helixtrans-61.1-22.7180-76.53.1000113.1R48D44-R48 WeakPolarHBondContact O-CB 3.43Å; D44-R48 VanDerWaalsContact O-CG 3.3Å; D44-R48 WeakPolarHBondContact O-CG 3.44Å; D44-R48 PolarHBondContact O-N 3.07Å; D44-R48 PolarHBondContact O-NE 3.04Å
45A84.6Confident85.6Confident45 Ų4557.5 Ų57.537%0.37233%0.331SS..Hα-helixtrans-74.7-47.4175.500000111.1D43 R48 L49D43-A45 PolarHBondContact O-N 3.25Å; D43-A45 VanDerWaalsContact O-N 3.13Å; D43-A45 PolarHBondContact OD1-N 3.25Å; A45-R48 WeakPolarHBondContact O-CB 3.23Å; A45-R48 PolarHBondContact O-N 3.38Å; A45-L49 WeakPolarHBondContact O-CG 3.38Å; A45-L49 PolarHBondContact O-N 3.38Å; A45-L49 VanDerWaalsContact O-N 3.12Å
46V85.7Confident85.6Confident50 Ų5056.4 Ų56.430%0.30332%0.323SS..Hα-helixtrans-65.8-43176174.50000110.4W42 D43 R48 L49 K50W42-V46 HydrophobicContact CB-CB 4.16Å; W42-V46 HydrophobicContact CB-CG1 3.94Å; W42-V46 HydrophobicContact CD2-CG1 3.9Å; W42-V46 HydrophobicContact CG-CB 4.36Å; W42-V46 HydrophobicContact CG-CG1 3.62Å; D43-V46 PolarHBondContact O-N 3.05Å; D43-V46 VanDerWaalsContact OD1-CB 3.27Å; D43-V46 WeakPolarHBondContact OD1-CB 3.47Å; D43-V46 WeakPolarHBondContact OD1-CG2 3.46Å; D43-V46 PolarHBondContact OD1-N 3.46Å; V46-R48 VanDerWaalsContact C-N 3.28Å; V46-R48 PolarHBondContact O-N 3.39Å; V46-L49 PolarHBondContact O-N 3.43Å; V46-L49 VanDerWaalsContact O-N 3.07Å; V46-K50 HydrophobicContact CG1-CG 3.9Å; V46-K50 WeakPolarHBondContact O-CB 3.47Å; V46-K50 VanDerWaalsContact O-CG 3.3Å; V46-K50 WeakPolarHBondContact O-CG 3.37Å; V46-K50 PolarHBondContact O-N 2.85Å
47K86.6Confident85.4Confident16 Ų1657.7 Ų57.77%0.0734%0.339CS..Hα-helixtrans-56.1-43.3174.6-70.6-179.3-169.8-171.30111.4F33 E34 A37 W42 D43 L49 K50 L51 Y74F33-K47 HydrophobicContact CE1-CB 4.15Å; F33-K47 HydrophobicContact CE1-CG 4.18Å; F33-K47 HydrophobicContact CZ-CB 4.33Å; E34-K47 IonicContact OE2-NZ 2.62Å; E34-K47 PolarHBondContact OE2-NZ 2.65Å; A37-K47 HydrophobicContact CB-CD 4.1Å; A37-K47 HydrophobicContact CB-CG 3.94Å; W42-K47 HydrophobicContact CB-CG 3.97Å; W42-K47 HydrophobicContact CE3-CG 4.36Å; W42-K47 VanDerWaalsContact O-CE 3.31Å; W42-K47 WeakPolarHBondContact O-CE 3.38Å; D43-K47 WeakPolarHBondContact O-CG 3.4Å; D43-K47 PolarHBondContact O-N 3.3Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 2.83Å; K47-K50 PolarHBondContact O-N 2.71Å; K47-L51 VanDerWaalsContact O-CB 3.23Å; K47-L51 WeakPolarHBondContact O-CB 3.04Å; K47-L51 PolarHBondContact O-N 2.68Å; K47-Y74 HydrophobicContact CB-CD2 3.77Å; K47-Y74 HydrophobicContact CB-CE1 4.4Å; K47-Y74 HydrophobicContact CB-CE2 3.57Å; K47-Y74 HydrophobicContact CB-CG 4.28Å; K47-Y74 HydrophobicContact CD-CD1 4.28Å; K47-Y74 HydrophobicContact CD-CE1 3.83Å; K47-Y74 HydrophobicContact CD-CE2 4.43Å
48R84.6Confident85.1Confident90 Ų9064.9 Ų64.934%0.3437%0.373SS..Hα-helixtrans-61.2-38.4174.9-85.3179.2-81.8-167.51.7113.6D44 A45 V46 P52 K72 Y74 L77D44-R48 WeakPolarHBondContact O-CB 3.43Å; D44-R48 VanDerWaalsContact O-CG 3.3Å; D44-R48 WeakPolarHBondContact O-CG 3.44Å; D44-R48 PolarHBondContact O-N 3.07Å; D44-R48 PolarHBondContact O-NE 3.04Å; A45-R48 WeakPolarHBondContact O-CB 3.23Å; A45-R48 PolarHBondContact O-N 3.38Å; V46-R48 VanDerWaalsContact C-N 3.28Å; V46-R48 PolarHBondContact O-N 3.39Å; R48-P52 WeakPolarHBondContact O-CD 3.35Å; R48-K72 PolarHBondContact NH1-O 2.93Å; R48-Y74 HydrophobicContact CG-CD2 3.8Å; R48-Y74 HydrophobicContact CG-CG 4.23Å; R48-L77 HydrophobicContact CG-CD2 4.26Å
49L84.7Confident84.9Confident130 Ų13060 Ų6068%0.68135%0.347SS*.Hα-helixtrans-76.7-32.4178.8-68.2172.7000112.5A45 V46 K47A45-L49 WeakPolarHBondContact O-CG 3.38Å; A45-L49 PolarHBondContact O-N 3.38Å; A45-L49 VanDerWaalsContact O-N 3.12Å; V46-L49 PolarHBondContact O-N 3.43Å; V46-L49 VanDerWaalsContact O-N 3.07Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 2.83Å
50K85.4Confident85Confident90 Ų9060.2 Ų60.239%0.39133%0.333SS..Hα-helixtrans-84.8-33-177.9-66.8-65.7-178.1-1770113.2F33 W42 V46 K47 T53 L54F33-K50 HydrophobicContact CE2-CB 4.42Å; F33-K50 HydrophobicContact CZ-CB 4.43Å; W42-K50 HydrophobicContact CE3-CB 4.23Å; W42-K50 HydrophobicContact CE3-CG 4.27Å; W42-K50 HydrophobicContact CH2-CB 3.9Å; W42-K50 HydrophobicContact CH2-CD 4.36Å; W42-K50 HydrophobicContact CH2-CG 3.85Å; W42-K50 HydrophobicContact CZ2-CG 4.16Å; W42-K50 HydrophobicContact CZ3-CB 3.66Å; W42-K50 HydrophobicContact CZ3-CG 3.93Å; V46-K50 HydrophobicContact CG1-CG 3.9Å; V46-K50 WeakPolarHBondContact O-CB 3.47Å; V46-K50 VanDerWaalsContact O-CG 3.3Å; V46-K50 WeakPolarHBondContact O-CG 3.37Å; V46-K50 PolarHBondContact O-N 2.85Å; K47-K50 PolarHBondContact O-N 2.71Å; K50-T53 PolarHBondContact O-N 3.25Å; K50-T53 VanDerWaalsContact O-N 3.09Å; K50-T53 PolarHBondContact O-OG1 2.81Å; K50-L54 PolarHBondContact O-N 3.13Å
51L86.6Confident84.9Confident0 Ų063 Ų630%035%0.348CS..THydrogen-bonded Turntrans-52.6-50.7-178.4-174.172.9000112.2W29 L30 F33 K47 T53 L54 L55 Y74 L77 V78 L81W29-L51 HydrophobicContact CH2-CD1 4Å; W29-L51 HydrophobicContact CZ3-CD1 3.69Å; L30-L51 HydrophobicContact CD1-CD1 4.3Å; F33-L51 HydrophobicContact CD1-CD1 4.21Å; F33-L51 HydrophobicContact CD2-CD1 4.38Å; F33-L51 HydrophobicContact CE1-CD1 4.11Å; F33-L51 HydrophobicContact CE2-CD1 4.26Å; F33-L51 HydrophobicContact CG-CD1 4.35Å; F33-L51 HydrophobicContact CZ-CB 4.12Å; F33-L51 HydrophobicContact CZ-CD1 4.12Å; K47-L51 VanDerWaalsContact O-CB 3.23Å; K47-L51 WeakPolarHBondContact O-CB 3.04Å; K47-L51 PolarHBondContact O-N 2.68Å; L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 PolarHBondContact O-N 3.03Å; L51-L54 PolarHBondContact O-N 2.67Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 3.35Å; L51-Y74 HydrophobicContact CD2-CE2 4.24Å; L51-L77 HydrophobicContact CD2-CD2 3.89Å; L51-L77 HydrophobicContact CD2-CG 4.16Å; L51-V78 HydrophobicContact CD2-CG2 4.29Å; L51-L81 HydrophobicContact CD2-CD1 3.46Å; L51-L81 VanDerWaalsContact CD2-CD1 3.46Å; L51-L81 HydrophobicContact CG-CD1 4.22Å
52P84Confident84.9Confident13 Ų1361.1 Ų61.18%0.08432%0.323CS..G310 helixtrans-66.9-27.9-178.9-17.632.9000113.1R48 L54 L55 Y63R48-P52 WeakPolarHBondContact O-CD 3.35Å; P52-L54 PolarHBondContact O-N 2.8Å; P52-L55 PolarHBondContact O-N 2.84Å; P52-Y63 HydrophobicContact CB-CD1 3.96Å; P52-Y63 HydrophobicContact CB-CD2 4.32Å; P52-Y63 HydrophobicContact CB-CE1 3.58Å; P52-Y63 HydrophobicContact CB-CE2 3.98Å; P52-Y63 HydrophobicContact CB-CG 4.3Å; P52-Y63 HydrophobicContact CG-CD1 4.47Å; P52-Y63 HydrophobicContact CG-CD2 4.14Å; P52-Y63 HydrophobicContact CG-CE1 3.83Å; P52-Y63 HydrophobicContact CG-CE2 3.44Å; P52-Y63 VanDerWaalsContact CG-CE2 3.44Å; P52-Y63 VanDerWaalsContact CG-OH 3.29Å; P52-Y63 WeakPolarHBondContact CG-OH 3.31Å
53T85.4Confident84.7Confident95 Ų9560.9 Ų60.958%0.58332%0.322SS*.G310 helixtrans-71.5-15.6179.465.70000113.5K50 L51K50-T53 PolarHBondContact O-N 3.25Å; K50-T53 VanDerWaalsContact O-N 3.09Å; K50-T53 PolarHBondContact O-OG1 2.81Å; L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 PolarHBondContact O-N 3.03Å
54L86.6Confident84.6Confident14 Ų1464.6 Ų64.67%0.07333%0.329CS..G310 helixtrans-106.81.8177-60.3169.1000112.4L17 P18 P20 F21 W29 F33 K50 L51 P52L17-L54 HydrophobicContact CB-CD2 4.43Å; L17-L54 HydrophobicContact CD2-CD1 4.13Å; L17-L54 HydrophobicContact CD2-CD2 4.33Å; P18-L54 HydrophobicContact CG-CD1 4.08Å; P20-L54 CarbonylContact C-O 3.54Å; P20-L54 WeakPolarHBondContact CA-O 3.39Å; F21-L54 PolarHBondContact N-O 3.29Å; W29-L54 HydrophobicContact CH2-CB 3.89Å; W29-L54 HydrophobicContact CH2-CD1 4.41Å; W29-L54 HydrophobicContact CZ2-CB 3.7Å; W29-L54 HydrophobicContact CZ2-CD1 4.24Å; F33-L54 HydrophobicContact CD2-CD1 3.62Å; F33-L54 HydrophobicContact CE2-CD1 3.61Å; K50-L54 PolarHBondContact O-N 3.13Å; L51-L54 PolarHBondContact O-N 2.67Å; P52-L54 PolarHBondContact O-N 2.8Å
55L86.7Confident84.4Confident7 Ų765 Ų654%0.03734%0.338CS..BIsolated β-bridgetrans-90.6125.7171.4-59.8177.7000108.2F21 F26 W29 L51 P52 A59 F60 Y63 L81F21-L55 HydrophobicContact CB-CD2 4.21Å; F21-L55 HydrophobicContact CD1-CD2 4Å; F26-L55 HydrophobicContact CE2-CD2 4.08Å; W29-L55 HydrophobicContact CH2-CD2 4.3Å; W29-L55 HydrophobicContact CZ3-CD2 4.21Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 3.35Å; P52-L55 PolarHBondContact O-N 2.84Å; L55-A59 HydrophobicContact CB-CB 4.16Å; L55-A59 HydrophobicContact CD2-CB 4.14Å; L55-F60 HydrophobicContact CB-CB 4.36Å; L55-Y63 HydrophobicContact CD1-CD2 4.5Å; L55-Y63 HydrophobicContact CD1-CG 4.34Å; L55-L81 HydrophobicContact CD1-CD1 4.09Å; L55-L81 HydrophobicContact CD1-CD2 4.25Å
56E85.7Confident84.1Confident97 Ų9764 Ų6445%0.45333%0.327SS..  trans-120.4163.1176.7-72.9-177.8-178.300110.3P20 F21 E58 A59P20-E56 HydrophobicContact CB-CB 4.48Å; P20-E56 HydrophobicContact CB-CG 3.8Å; P20-E56 WeakPolarHBondContact CB-OE1 3.26Å; P20-E56 WeakPolarHBondContact CG-OE1 3.26Å; F21-E56 PolarHBondContact O-N 2.9Å; E56-E58 PolarHBondContact O-N 2.86Å; E56-A59 WeakPolarHBondContact O-CB 3.29Å; E56-A59 PolarHBondContact O-N 2.97Å
57G82.9Confident83.4Confident44 Ų4463.3 Ų63.345%0.45433%0.331SS..THydrogen-bonded Turntrans57.9-132.5175.700000114.3A59 F60 L61G57-A59 PolarHBondContact O-N 2.74Å; G57-F60 PolarHBondContact O-N 3.44Å; G57-L61 PolarHBondContact O-N 3.49Å
58E80.5Confident82.3Confident151 Ų15164.2 Ų64.271%0.70634%0.338SS*.Hα-helixtrans-59.1-32.3-179.7-67.2-174.5171.300112.3E56 F60 L61 V62E56-E58 PolarHBondContact O-N 2.86Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 3.37Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.48Å; E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 3.37Å
59A83.1Confident81.2Confident1 Ų167.4 Ų67.41%0.00836%0.362CS..Hα-helixtrans-66.4-37.3-176.300000112.8F21 L55 E56 G57 V62 Y63 L85F21-A59 HydrophobicContact CD1-CB 3.48Å; F21-A59 VanDerWaalsContact CD1-CB 3.48Å; F21-A59 HydrophobicContact CE1-CB 3.71Å; L55-A59 HydrophobicContact CB-CB 4.16Å; L55-A59 HydrophobicContact CD2-CB 4.14Å; E56-A59 WeakPolarHBondContact O-CB 3.29Å; E56-A59 PolarHBondContact O-N 2.97Å; G57-A59 PolarHBondContact O-N 2.74Å; A59-V62 PolarHBondContact O-N 3.42Å; A59-Y63 PolarHBondContact O-N 3.11Å; A59-L85 HydrophobicContact CB-CD1 4.31Å; A59-L85 HydrophobicContact CB-CD2 3.83Å
60F84.7Confident79.8Confident82 Ų8267.9 Ų67.936%0.3637%0.365SS..Hα-helixtrans-68.5-36174.7-174.7-104.8000112.4L55 G57 E58 V62 Y63 R64L55-F60 HydrophobicContact CB-CB 4.36Å; G57-F60 PolarHBondContact O-N 3.44Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 3.37Å; F60-V62 VanDerWaalsContact C-N 3.34Å; F60-Y63 HydrophobicContact CD2-CD1 4.45Å; F60-Y63 HydrophobicContact CE2-CD1 4.32Å; F60-Y63 WeakPolarHBondContact O-CB 3.47Å; F60-Y63 PolarHBondContact O-N 3.48Å; F60-R64 HydrophobicContact CD1-CG 4.41Å; F60-R64 HydrophobicContact CE1-CG 4.04Å; F60-R64 HydrophobicContact CZ-CG 4.26Å; F60-R64 WeakPolarHBondContact O-CG 3.49Å; F60-R64 PolarHBondContact O-N 3.44Å
61L84.2Confident78.5Confident107 Ų10769.1 Ų69.156%0.5639%0.386SS*.Hα-helixtrans-64.2-41.8175.8-63178.4000111.4G57 E58 R64 S65G57-L61 PolarHBondContact O-N 3.49Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.48Å; L61-R64 PolarHBondContact O-N 3.22Å; L61-S65 PolarHBondContact O-N 3.4Å
62V82.3Confident77.6Confident31 Ų3172.6 Ų72.619%0.18840%0.4CS..Hα-helixtrans-62.6-45.4174.5170.90000110.9E58 A59 F60 R64 S65 V66 L81 A84 L85E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 3.37Å; A59-V62 PolarHBondContact O-N 3.42Å; F60-V62 VanDerWaalsContact C-N 3.34Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 3.11Å; V62-S65 WeakPolarHBondContact CA-OG 3.46Å; V62-S65 PolarHBondContact O-N 3.46Å; V62-S65 PolarHBondContact O-OG 3.44Å; V62-V66 HydrophobicContact CG1-CG2 4.46Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 2.8Å; V62-L81 HydrophobicContact CG1-CD2 4.4Å; V62-A84 HydrophobicContact CG1-CB 3.26Å; V62-L85 HydrophobicContact CB-CD2 3.65Å; V62-L85 HydrophobicContact CB-CG 4.39Å; V62-L85 HydrophobicContact CG1-CD2 3.8Å; V62-L85 HydrophobicContact CG1-CG 4.01Å; V62-L85 HydrophobicContact CG2-CD2 3.83Å
63Y83.6Confident77.5Confident38 Ų3873.6 Ų73.615%0.14941%0.408CS..Hα-helixtrans-53.4-46.5173.5170.7-100.3000112.5P52 L55 A59 F60 S65 V66 P68 L77 L81P52-Y63 HydrophobicContact CB-CD1 3.96Å; P52-Y63 HydrophobicContact CB-CD2 4.32Å; P52-Y63 HydrophobicContact CB-CE1 3.58Å; P52-Y63 HydrophobicContact CB-CE2 3.98Å; P52-Y63 HydrophobicContact CB-CG 4.3Å; P52-Y63 HydrophobicContact CG-CD1 4.47Å; P52-Y63 HydrophobicContact CG-CD2 4.14Å; P52-Y63 HydrophobicContact CG-CE1 3.83Å; P52-Y63 HydrophobicContact CG-CE2 3.44Å; P52-Y63 VanDerWaalsContact CG-CE2 3.44Å; P52-Y63 VanDerWaalsContact CG-OH 3.29Å; P52-Y63 WeakPolarHBondContact CG-OH 3.31Å; L55-Y63 HydrophobicContact CD1-CD2 4.5Å; L55-Y63 HydrophobicContact CD1-CG 4.34Å; A59-Y63 PolarHBondContact O-N 3.11Å; F60-Y63 HydrophobicContact CD2-CD1 4.45Å; F60-Y63 HydrophobicContact CE2-CD1 4.32Å; F60-Y63 WeakPolarHBondContact O-CB 3.47Å; F60-Y63 PolarHBondContact O-N 3.48Å; Y63-S65 VanDerWaalsContact C-N 3.32Å; Y63-S65 PolarHBondContact O-N 3.17Å; Y63-V66 PolarHBondContact O-N 3.02Å; Y63-P68 HydrophobicContact CE1-CB 4.47Å; Y63-P68 HydrophobicContact CE1-CG 3.8Å; Y63-P68 HydrophobicContact CE2-CB 3.77Å; Y63-P68 HydrophobicContact CE2-CG 3.96Å; Y63-P68 VanDerWaalsContact CZ-CG 3.42Å; Y63-P68 VanDerWaalsContact OH-CB 3.28Å; Y63-P68 WeakPolarHBondContact OH-CB 3.29Å; Y63-P68 VanDerWaalsContact OH-CG 3.28Å; Y63-P68 WeakPolarHBondContact OH-CG 3.34Å; Y63-L77 HydrophobicContact CD2-CD1 3.89Å; Y63-L77 HydrophobicContact CE2-CD1 3.69Å; Y63-L77 HydrophobicContact CE2-CD2 4.15Å; Y63-L81 HydrophobicContact CD2-CD1 4.43Å; Y63-L81 HydrophobicContact CD2-CD2 4.37Å
64R83.8Confident77.3Confident170 Ų17069.7 Ų69.764%0.64238%0.383SS*.Hα-helixtrans-61.8-38.7176.4-72.4-175.464.8-172.40.6112.5F60 L61 V62 V66 G67F60-R64 HydrophobicContact CD1-CG 4.41Å; F60-R64 HydrophobicContact CE1-CG 4.04Å; F60-R64 HydrophobicContact CZ-CG 4.26Å; F60-R64 WeakPolarHBondContact O-CG 3.49Å; F60-R64 PolarHBondContact O-N 3.44Å; L61-R64 PolarHBondContact O-N 3.22Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 3.11Å; R64-V66 VanDerWaalsContact C-N 3.31Å; R64-V66 PolarHBondContact O-N 3.21Å; R64-G67 PolarHBondContact O-N 2.5Å
65S80.2Confident77.3Confident93 Ų9377.6 Ų77.665%0.6541%0.411SS*.Hα-helixtrans-66.8-30.1178.4760000113.6L61 V62 Y63 G67L61-S65 PolarHBondContact O-N 3.4Å; V62-S65 WeakPolarHBondContact CA-OG 3.46Å; V62-S65 PolarHBondContact O-N 3.46Å; V62-S65 PolarHBondContact O-OG 3.44Å; Y63-S65 VanDerWaalsContact C-N 3.32Å; Y63-S65 PolarHBondContact O-N 3.17Å; S65-G67 PolarHBondContact O-N 3.18Å
66V78.6Confident77.1Confident24 Ų2481.4 Ų81.415%0.14543%0.429CS..Hα-helixtrans-71.9-15179.6167.90000112.9V62 Y63 R64 K72 A80 A84V62-V66 HydrophobicContact CG1-CG2 4.46Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 2.8Å; Y63-V66 PolarHBondContact O-N 3.02Å; R64-V66 VanDerWaalsContact C-N 3.31Å; R64-V66 PolarHBondContact O-N 3.21Å; V66-K72 PolarHBondContact O-NZ 3.42Å; V66-A80 HydrophobicContact CG1-CB 3.46Å; V66-A80 VanDerWaalsContact CG1-CB 3.46Å; V66-A80 HydrophobicContact CG2-CB 4.32Å; V66-A84 HydrophobicContact CG2-CB 4.24Å
67G71.9Confident77.1Confident36 Ų3677.1 Ų77.137%0.37141%0.409SS..  trans6472.2175.200000112.6R64 S65 D69R64-G67 PolarHBondContact O-N 2.5Å; S65-G67 PolarHBondContact O-N 3.18Å; G67-D69 PolarHBondContact O-N 3.2Å
68P63.2Low77.2Confident35 Ų3575.4 Ų75.423%0.22739%0.39CS..THydrogen-bonded Turntrans-69.2-15.1-177.931.8-39.8000113.9Y63 N70Y63-P68 HydrophobicContact CE1-CB 4.47Å; Y63-P68 HydrophobicContact CE1-CG 3.8Å; Y63-P68 HydrophobicContact CE2-CB 3.77Å; Y63-P68 HydrophobicContact CE2-CG 3.96Å; Y63-P68 VanDerWaalsContact CZ-CG 3.42Å; Y63-P68 VanDerWaalsContact OH-CB 3.28Å; Y63-P68 WeakPolarHBondContact OH-CB 3.29Å; Y63-P68 VanDerWaalsContact OH-CG 3.28Å; Y63-P68 WeakPolarHBondContact OH-CG 3.34Å; P68-N70 PolarHBondContact O-N 3.36Å; P68-N70 VanDerWaalsContact O-N 3.08Å
69D61.8Low77.3Confident157 Ų15773 Ų7384%0.8438%0.379SS*.THydrogen-bonded Turntrans-64.6-16.3-166.9-74.7-26.4000115.2G67G67-D69 PolarHBondContact O-N 3.2Å
70N54.5Low77.3Confident140 Ų14073.9 Ų73.975%0.74939%0.386SS*.THydrogen-bonded Turntrans-119.887.1-175-124.255.1000111.7P68 K72P68-N70 PolarHBondContact O-N 3.36Å; P68-N70 VanDerWaalsContact O-N 3.08Å; N70-K72 PolarHBondContact O-N 3.18Å; N70-K72 VanDerWaalsContact O-N 3.14Å
71S58Low77.3Confident117 Ų11770 Ų7082%0.81837%0.369SS*.THydrogen-bonded Turntrans57.328.9157.2-600000119.5
72K67.2Low77.2Confident72 Ų7267.7 Ų67.731%0.31336%0.355SS..  trans-78.5133.3174.3-68.3179.6-175.6170.30112.3R48 V66 N70 E76R48-K72 PolarHBondContact NH1-O 2.93Å; V66-K72 PolarHBondContact O-NZ 3.42Å; N70-K72 PolarHBondContact O-N 3.18Å; N70-K72 VanDerWaalsContact O-N 3.14Å; K72-E76 WeakPolarHBondContact CA-OE2 3.5Å; K72-E76 HydrophobicContact CB-CB 3.97Å; K72-E76 HydrophobicContact CG-CB 4.32Å
73S82.8Confident76.9Confident35 Ų3570 Ų7025%0.24537%0.372CS..  trans-60.4156.4168.263.70000110.6R75 E76 L77S73-R75 PolarHBondContact O-N 3.4Å; S73-E76 PolarHBondContact N-OE2 3.41Å; S73-E76 PolarHBondContact O-N 3.21Å; S73-E76 VanDerWaalsContact OG-CG 3.31Å; S73-E76 WeakPolarHBondContact OG-CG 3.46Å; S73-E76 PolarHBondContact OG-N 3.15Å; S73-E76 PolarHBondContact OG-OE1 3Å; S73-L77 PolarHBondContact O-N 3.33Å
74Y82Confident76.6Confident12 Ų1270.3 Ų70.35%0.04738%0.383CS..Hα-helixtrans-53.1-41.5175.8173.7-114.3000110.9F33 E34 K47 R48 L51 L77 V78F33-Y74 HydrophobicContact CE1-CE2 4.3Å; F33-Y74 WeakPolarHBondContact CE1-OH 3.41Å; E34-Y74 WeakPolarHBondContact OE1-CE1 3.24Å; E34-Y74 PolarHBondContact OE1-OH 2.72Å; K47-Y74 HydrophobicContact CB-CD2 3.77Å; K47-Y74 HydrophobicContact CB-CE1 4.4Å; K47-Y74 HydrophobicContact CB-CE2 3.57Å; K47-Y74 HydrophobicContact CB-CG 4.28Å; K47-Y74 HydrophobicContact CD-CD1 4.28Å; K47-Y74 HydrophobicContact CD-CE1 3.83Å; K47-Y74 HydrophobicContact CD-CE2 4.43Å; R48-Y74 HydrophobicContact CG-CD2 3.8Å; R48-Y74 HydrophobicContact CG-CG 4.23Å; L51-Y74 HydrophobicContact CD2-CE2 4.24Å; Y74-L77 PolarHBondContact O-N 3.43Å; Y74-V78 HydrophobicContact CD1-CG2 4.36Å; Y74-V78 HydrophobicContact CD2-CG2 4.09Å; Y74-V78 HydrophobicContact CE1-CG2 3.88Å; Y74-V78 HydrophobicContact CE2-CG2 3.58Å; Y74-V78 HydrophobicContact CG-CG2 4.45Å; Y74-V78 VanDerWaalsContact CZ-CG2 3.46Å; Y74-V78 WeakPolarHBondContact O-CB 3.01Å; Y74-V78 WeakPolarHBondContact O-CG2 3.49Å; Y74-V78 PolarHBondContact O-N 3.35Å
75R84.8Confident76.3Confident180 Ų18063.2 Ų63.268%0.67936%0.357SS*.Hα-helixtrans-57.4-48.3175-172.2178.366.6172.51.7112.7S73 V78 E79S73-R75 PolarHBondContact O-N 3.4Å; R75-V78 PolarHBondContact O-N 2.68Å; R75-E79 WeakPolarHBondContact O-CG 3.41Å; R75-E79 PolarHBondContact O-N 3.32Å
76E83.7Confident75.8Confident88 Ų8862.7 Ų62.741%0.41134%0.341SS..Hα-helixtrans-65.2-38.4177.7-78.1154.3-131.600112.7K72 S73 E79 A80K72-E76 WeakPolarHBondContact CA-OE2 3.5Å; K72-E76 HydrophobicContact CB-CB 3.97Å; K72-E76 HydrophobicContact CG-CB 4.32Å; S73-E76 PolarHBondContact N-OE2 3.41Å; S73-E76 PolarHBondContact O-N 3.21Å; S73-E76 VanDerWaalsContact OG-CG 3.31Å; S73-E76 WeakPolarHBondContact OG-CG 3.46Å; S73-E76 PolarHBondContact OG-N 3.15Å; S73-E76 PolarHBondContact OG-OE1 3Å; E76-E79 PolarHBondContact O-N 3.5Å; E76-A80 VanDerWaalsContact O-CB 3.25Å; E76-A80 WeakPolarHBondContact O-CB 3.25Å; E76-A80 PolarHBondContact O-N 3.34Å
77L84.4Confident75.1Confident7 Ų764.8 Ų64.84%0.03736%0.355CS..Hα-helixtrans-62-46.9175.117763.4000110.8R48 L51 Y63 S73 Y74 A80 L81R48-L77 HydrophobicContact CG-CD2 4.26Å; L51-L77 HydrophobicContact CD2-CD2 3.89Å; L51-L77 HydrophobicContact CD2-CG 4.16Å; Y63-L77 HydrophobicContact CD2-CD1 3.89Å; Y63-L77 HydrophobicContact CE2-CD1 3.69Å; Y63-L77 HydrophobicContact CE2-CD2 4.15Å; S73-L77 PolarHBondContact O-N 3.33Å; Y74-L77 PolarHBondContact O-N 3.43Å; L77-A80 PolarHBondContact O-N 3.01Å; L77-L81 HydrophobicContact CD1-CD1 4.12Å; L77-L81 HydrophobicContact CD1-CG 4.29Å; L77-L81 HydrophobicContact CG-CD1 4.06Å; L77-L81 WeakPolarHBondContact O-CB 3.36Å; L77-L81 WeakPolarHBondContact O-CG 3Å; L77-L81 PolarHBondContact O-N 2.88Å
78V85.6Confident74.5Confident8 Ų871.7 Ų71.75%0.04838%0.382CS..Hα-helixtrans-61.3-45.5177.71640000111.4L30 L51 Y74 R75 L81 K82L30-V78 HydrophobicContact CD1-CG1 4.47Å; L30-V78 HydrophobicContact CD1-CG2 4.2Å; L30-V78 HydrophobicContact CD2-CG1 3.43Å; L30-V78 VanDerWaalsContact CD2-CG1 3.43Å; L51-V78 HydrophobicContact CD2-CG2 4.29Å; Y74-V78 HydrophobicContact CD1-CG2 4.36Å; Y74-V78 HydrophobicContact CD2-CG2 4.09Å; Y74-V78 HydrophobicContact CE1-CG2 3.88Å; Y74-V78 HydrophobicContact CE2-CG2 3.58Å; Y74-V78 HydrophobicContact CG-CG2 4.45Å; Y74-V78 VanDerWaalsContact CZ-CG2 3.46Å; Y74-V78 WeakPolarHBondContact O-CB 3.01Å; Y74-V78 WeakPolarHBondContact O-CG2 3.49Å; Y74-V78 PolarHBondContact O-N 3.35Å; R75-V78 PolarHBondContact O-N 2.68Å; V78-L81 PolarHBondContact O-N 2.62Å; V78-K82 HydrophobicContact CG1-CD 4.14Å; V78-K82 HydrophobicContact CG1-CG 4.35Å; V78-K82 WeakPolarHBondContact O-CB 3.39Å; V78-K82 VanDerWaalsContact O-CG 3.3Å; V78-K82 WeakPolarHBondContact O-CG 3.29Å; V78-K82 PolarHBondContact O-N 3.23Å
79E83.3Confident74.4Confident99 Ų9972 Ų7246%0.46339%0.392SS..Hα-helixtrans-66.1-39.5178.1-72.1-54.6128.300112.2R75 E76 K82 S83R75-E79 WeakPolarHBondContact O-CG 3.41Å; R75-E79 PolarHBondContact O-N 3.32Å; E76-E79 PolarHBondContact O-N 3.5Å; E79-K82 PolarHBondContact O-N 3.48Å; E79-K82 IonicContact OE1-NZ 3.56Å; E79-K82 PolarHBondContact OE1-NZ 3.39Å; E79-S83 WeakPolarHBondContact O-CB 3.41Å; E79-S83 PolarHBondContact O-N 2.97Å; E79-S83 PolarHBondContact O-OG 2.85Å; E79-S83 VanDerWaalsContact O-OG 3.14Å
80A82.8Confident74.7Confident20 Ų2066.6 Ų66.617%0.16536%0.364CS..Hα-helixtrans-64-41.9174.100000111.7V66 E76 L77 S83 A84V66-A80 HydrophobicContact CG1-CB 3.46Å; V66-A80 VanDerWaalsContact CG1-CB 3.46Å; V66-A80 HydrophobicContact CG2-CB 4.32Å; E76-A80 VanDerWaalsContact O-CB 3.25Å; E76-A80 WeakPolarHBondContact O-CB 3.25Å; E76-A80 PolarHBondContact O-N 3.34Å; L77-A80 PolarHBondContact O-N 3.01Å; A80-S83 PolarHBondContact O-N 3.25Å; A80-S83 PolarHBondContact O-OG 3.38Å; A80-A84 VanDerWaalsContact O-CB 3.25Å; A80-A84 WeakPolarHBondContact O-CB 3.21Å; A80-A84 PolarHBondContact O-N 3.12Å
81L84.6Confident75.5Confident0 Ų066 Ų660%035%0.352CS..Hα-helixtrans-67.9-42.4175-73.7172.5000112.2F26 L51 L55 V62 Y63 L77 V78 S83 A84 L85F26-L81 HydrophobicContact CE1-CB 3.67Å; F26-L81 HydrophobicContact CZ-CB 3.65Å; F26-L81 HydrophobicContact CZ-CD1 4.11Å; L51-L81 HydrophobicContact CD2-CD1 3.46Å; L51-L81 VanDerWaalsContact CD2-CD1 3.46Å; L51-L81 HydrophobicContact CG-CD1 4.22Å; L55-L81 HydrophobicContact CD1-CD1 4.09Å; L55-L81 HydrophobicContact CD1-CD2 4.25Å; V62-L81 HydrophobicContact CG1-CD2 4.4Å; Y63-L81 HydrophobicContact CD2-CD1 4.43Å; Y63-L81 HydrophobicContact CD2-CD2 4.37Å; L77-L81 HydrophobicContact CD1-CD1 4.12Å; L77-L81 HydrophobicContact CD1-CG 4.29Å; L77-L81 HydrophobicContact CG-CD1 4.06Å; L77-L81 WeakPolarHBondContact O-CB 3.36Å; L77-L81 WeakPolarHBondContact O-CG 3Å; L77-L81 PolarHBondContact O-N 2.88Å; V78-L81 PolarHBondContact O-N 2.62Å; L81-S83 VanDerWaalsContact C-N 3.28Å; L81-S83 PolarHBondContact O-N 2.94Å; L81-A84 PolarHBondContact O-N 3.04Å; L81-L85 HydrophobicContact CB-CD1 4.17Å; L81-L85 HydrophobicContact CD2-CD1 4.12Å; L81-L85 WeakPolarHBondContact O-CA 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.5Å; L81-L85 PolarHBondContact O-N 3.41Å
82K82.2Confident76.5Confident60 Ų6070.9 Ų70.926%0.26135%0.352SS..Hα-helixtrans-58.3-41.5173.9-77.7177.1-173.5168.40111.7F26 L30 V78 E79 R86F26-K82 HydrophobicContact CD1-CB 4.43Å; F26-K82 HydrophobicContact CD1-CG 3.89Å; F26-K82 HydrophobicContact CE1-CG 3.85Å; L30-K82 VanDerWaalsContact CD2-CE 3.46Å; V78-K82 HydrophobicContact CG1-CD 4.14Å; V78-K82 HydrophobicContact CG1-CG 4.35Å; V78-K82 WeakPolarHBondContact O-CB 3.39Å; V78-K82 VanDerWaalsContact O-CG 3.3Å; V78-K82 WeakPolarHBondContact O-CG 3.29Å; V78-K82 PolarHBondContact O-N 3.23Å; E79-K82 PolarHBondContact O-N 3.48Å; E79-K82 IonicContact OE1-NZ 3.56Å; E79-K82 PolarHBondContact OE1-NZ 3.39Å; K82-R86 VanDerWaalsContact O-CG 3.29Å; K82-R86 WeakPolarHBondContact O-CG 3.39Å; K82-R86 PolarHBondContact O-N 3.03Å
83S76.8Confident77.2Confident78 Ų7872.7 Ų72.755%0.54536%0.364SS..Hα-helixtrans-71-38.9179.163.40000112.3E79 A80 L81E79-S83 WeakPolarHBondContact O-CB 3.41Å; E79-S83 PolarHBondContact O-N 2.97Å; E79-S83 PolarHBondContact O-OG 2.85Å; E79-S83 VanDerWaalsContact O-OG 3.14Å; A80-S83 PolarHBondContact O-N 3.25Å; A80-S83 PolarHBondContact O-OG 3.38Å; L81-S83 VanDerWaalsContact C-N 3.28Å; L81-S83 PolarHBondContact O-N 2.94Å
84A77.4Confident77.1Confident46 Ų4671.9 Ų71.938%0.3836%0.359SS..Hα-helixtrans-86.8-29.5-174.900000114.4V62 V66 A80 L81 R86V62-A84 HydrophobicContact CG1-CB 3.26Å; V66-A84 HydrophobicContact CG2-CB 4.24Å; A80-A84 VanDerWaalsContact O-CB 3.25Å; A80-A84 WeakPolarHBondContact O-CB 3.21Å; A80-A84 PolarHBondContact O-N 3.12Å; L81-A84 PolarHBondContact O-N 3.04Å; A84-R86 VanDerWaalsContact C-N 3.33Å
85L76.2Confident77.3Confident21 Ų2176.2 Ų76.211%0.1138%0.376CS..SBendtrans-87.84.2174.6-62.5173.4000113.4F21 F26 A59 V62 L81 P87F21-L85 HydrophobicContact CE1-CD1 4.07Å; F26-L85 HydrophobicContact CB-CB 4.08Å; F26-L85 HydrophobicContact CB-CD1 4.32Å; F26-L85 HydrophobicContact CD1-CB 4.49Å; F26-L85 HydrophobicContact CD1-CD1 4.13Å; F26-L85 HydrophobicContact CD2-CD1 3.38Å; F26-L85 HydrophobicContact CE1-CD1 4.29Å; F26-L85 HydrophobicContact CE2-CD1 3.59Å; F26-L85 HydrophobicContact CG-CB 4.16Å; F26-L85 HydrophobicContact CG-CD1 3.67Å; F26-L85 HydrophobicContact CZ-CD1 4.04Å; A59-L85 HydrophobicContact CB-CD1 4.31Å; A59-L85 HydrophobicContact CB-CD2 3.83Å; V62-L85 HydrophobicContact CB-CD2 3.65Å; V62-L85 HydrophobicContact CB-CG 4.39Å; V62-L85 HydrophobicContact CG1-CD2 3.8Å; V62-L85 HydrophobicContact CG1-CG 4.01Å; V62-L85 HydrophobicContact CG2-CD2 3.83Å; L81-L85 HydrophobicContact CB-CD1 4.17Å; L81-L85 HydrophobicContact CD2-CD1 4.12Å; L81-L85 WeakPolarHBondContact O-CA 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.5Å; L81-L85 PolarHBondContact O-N 3.41Å; L85-P87 WeakPolarHBondContact O-CD 3.27Å
86R69.9Low77.3Confident81 Ų8169.2 Ų69.231%0.30636%0.355SS..SBendtrans-58.3122.3167.5-92.8164.7-171.9-118.88.3107.8K82 A84 I88 V122 P125K82-R86 VanDerWaalsContact O-CG 3.29Å; K82-R86 WeakPolarHBondContact O-CG 3.39Å; K82-R86 PolarHBondContact O-N 3.03Å; A84-R86 VanDerWaalsContact C-N 3.33Å; R86-I88 PolarHBondContact O-N 3.47Å; R86-V122 PolarHBondContact NH1-O 3.4Å; R86-P125 VanDerWaalsContact NH1-CG 3.34Å
87P64.9Low77.4Confident68 Ų6870.6 Ų70.644%0.44236%0.362SS..PPolyproline II helixtrans-61.6132.7-175-13.222.3000110L85 G89 T90L85-P87 WeakPolarHBondContact O-CD 3.27Å; P87-G89 PolarHBondContact O-N 3.22Å; P87-T90 HydrophobicContact CB-CG2 3.5Å; P87-T90 HydrophobicContact CG-CG2 3.67Å; P87-T90 VanDerWaalsContact O-CB 3.31Å; P87-T90 WeakPolarHBondContact O-CB 3.29Å; P87-T90 WeakPolarHBondContact O-CG2 3.31Å; P87-T90 PolarHBondContact O-N 3.37Å; P87-T90 PolarHBondContact O-OG1 2.94Å
88I57.6Low77.5Confident181 Ų18170.5 Ų70.593%0.92836%0.361SS*.THydrogen-bonded Turntrans-56.3126.7-175.2-59.7166.2000108.7R86 T90R86-I88 PolarHBondContact O-N 3.47Å; I88-T90 PolarHBondContact O-N 3.41Å
89G61.8Low77.6Confident43 Ų4375.3 Ų75.344%0.44338%0.383SS..THydrogen-bonded Turntrans87.2-9.4-17800000115.9P87 R91 R92 I93P87-G89 PolarHBondContact O-N 3.22Å; G89-R91 PolarHBondContact O-N 3.11Å; G89-R92 PolarHBondContact O-N 3.2Å; G89-I93 PolarHBondContact O-N 2.69Å
90T69.4Low77.7Confident42 Ų4277.1 Ų77.126%0.25839%0.389SS..Hα-helixtrans-62-27.2176.449.20000113.6P87 I88 R92 I93 A94P87-T90 HydrophobicContact CB-CG2 3.5Å; P87-T90 HydrophobicContact CG-CG2 3.67Å; P87-T90 VanDerWaalsContact O-CB 3.31Å; P87-T90 WeakPolarHBondContact O-CB 3.29Å; P87-T90 WeakPolarHBondContact O-CG2 3.31Å; P87-T90 PolarHBondContact O-N 3.37Å; P87-T90 PolarHBondContact O-OG1 2.94Å; I88-T90 PolarHBondContact O-N 3.41Å; T90-R92 VanDerWaalsContact C-N 3.35Å; T90-R92 PolarHBondContact O-N 2.71Å; T90-I93 PolarHBondContact O-N 3.22Å; T90-A94 WeakPolarHBondContact O-CA 3.13Å; T90-A94 WeakPolarHBondContact O-CB 3.37Å; T90-A94 PolarHBondContact O-N 2.91Å
91R70.6Confident77.8Confident129 Ų12977.4 Ų77.449%0.48739%0.387SS..Hα-helixtrans-61-44.6177.2-170.2172.7-64.9100.62.2112.2G89 Y95 A123G89-R91 PolarHBondContact O-N 3.11Å; R91-Y95 VanDerWaalsContact O-CB 3.22Å; R91-Y95 WeakPolarHBondContact O-CB 3.42Å; R91-Y95 PolarHBondContact O-N 3.26Å; R91-A123 WeakPolarHBondContact CG-O 3.46Å
92R78.8Confident77.9Confident219 Ų21981.5 Ų81.583%0.82641%0.413SS*.Hα-helixtrans-68.1-40.8178.6-73.3-174.2177.1-164.9-0.5111.4G89 T90 Y95 S96G89-R92 PolarHBondContact O-N 3.2Å; T90-R92 VanDerWaalsContact C-N 3.35Å; T90-R92 PolarHBondContact O-N 2.71Å; R92-Y95 PolarHBondContact O-N 2.94Å; R92-S96 WeakPolarHBondContact O-CB 3.49Å; R92-S96 PolarHBondContact O-N 2.94Å
93I81.8Confident78Confident110 Ų11080.8 Ų80.856%0.56441%0.411SS*.Hα-helixtrans-65.7-49.9177.1-61.3170.3000110.1G89 T90 Y95 S96 E97G89-I93 PolarHBondContact O-N 2.69Å; T90-I93 PolarHBondContact O-N 3.22Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.06Å; I93-S96 CarbonylContact O-C 3.58Å; I93-S96 WeakPolarHBondContact O-CA 3.44Å; I93-S96 WeakPolarHBondContact O-CB 3.12Å; I93-S96 PolarHBondContact O-N 2.71Å; I93-E97 HydrophobicContact CG2-CG 4.41Å; I93-E97 WeakPolarHBondContact O-CG 3.47Å; I93-E97 PolarHBondContact O-N 3.38Å
94A81.6Confident78.3Confident17 Ų1784.3 Ų84.314%0.1441%0.413CS..Hα-helixtrans-59.7-39.4177.200000111.9T90 E97 F98 V122 A123T90-A94 WeakPolarHBondContact O-CA 3.13Å; T90-A94 WeakPolarHBondContact O-CB 3.37Å; T90-A94 PolarHBondContact O-N 2.91Å; A94-E97 PolarHBondContact O-N 3.01Å; A94-F98 WeakPolarHBondContact O-CB 3.28Å; A94-F98 PolarHBondContact O-N 3.46Å; A94-V122 HydrophobicContact CB-CG1 3.86Å; A94-A123 HydrophobicContact CB-CB 4.2Å
95Y85Confident78.3Confident103 Ų10388.6 Ų88.640%0.40444%0.436SS..Hα-helixtrans-64.5-43.9172.7-174.1-92.5000111.7R91 R92 I93 E97 F98 E99 A123 L124R91-Y95 VanDerWaalsContact O-CB 3.22Å; R91-Y95 WeakPolarHBondContact O-CB 3.42Å; R91-Y95 PolarHBondContact O-N 3.26Å; R92-Y95 PolarHBondContact O-N 2.94Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.06Å; Y95-E97 VanDerWaalsContact C-N 3.35Å; Y95-E97 PolarHBondContact O-N 3.09Å; Y95-F98 WeakPolarHBondContact O-CB 3.44Å; Y95-F98 PolarHBondContact O-N 3.03Å; Y95-E99 WeakPolarHBondContact O-CB 3.41Å; Y95-E99 PolarHBondContact O-N 3.16Å; Y95-A123 HydrophobicContact CD2-CB 4.43Å; Y95-L124 HydrophobicContact CD2-CD2 4.1Å; Y95-L124 HydrophobicContact CD2-CG 4.36Å; Y95-L124 HydrophobicContact CE2-CD1 4.38Å; Y95-L124 HydrophobicContact CE2-CD2 4.24Å
96S85.5Confident78.5Confident34 Ų3491.9 Ų91.924%0.23848%0.475CS..Hα-helixtrans-63.8-39.3176.1-169.10000112.5R92 I93 E99 K100R92-S96 WeakPolarHBondContact O-CB 3.49Å; R92-S96 PolarHBondContact O-N 2.94Å; I93-S96 CarbonylContact O-C 3.58Å; I93-S96 WeakPolarHBondContact O-CA 3.44Å; I93-S96 WeakPolarHBondContact O-CB 3.12Å; I93-S96 PolarHBondContact O-N 2.71Å; S96-E99 PolarHBondContact O-N 3.12Å; S96-K100 WeakPolarHBondContact O-CB 3.37Å; S96-K100 WeakPolarHBondContact O-CD 3.49Å; S96-K100 VanDerWaalsContact O-CG 3.28Å; S96-K100 WeakPolarHBondContact O-CG 3.34Å; S96-K100 PolarHBondContact O-N 3.48Å; S96-K100 VanDerWaalsContact O-N 3.09Å; S96-K100 WeakPolarHBondContact OG-CE 3.33Å; S96-K100 PolarHBondContact OG-NZ 3.01Å
97E85.4Confident79.2Confident117 Ų11789.6 Ų89.655%0.54747%0.468SS..Hα-helixtrans-62.7-50.5173.8-73-64.1124.200110.1I93 A94 Y95 E99 K100 M101I93-E97 HydrophobicContact CG2-CG 4.41Å; I93-E97 WeakPolarHBondContact O-CG 3.47Å; I93-E97 PolarHBondContact O-N 3.38Å; A94-E97 PolarHBondContact O-N 3.01Å; Y95-E97 VanDerWaalsContact C-N 3.35Å; Y95-E97 PolarHBondContact O-N 3.09Å; E97-E99 VanDerWaalsContact C-N 3.31Å; E97-E99 PolarHBondContact O-N 3.44Å; E97-K100 CarbonylContact O-C 3.54Å; E97-K100 PolarHBondContact O-N 3.44Å; E97-M101 VanDerWaalsContact O-CG 3.29Å; E97-M101 WeakPolarHBondContact O-CG 3.31Å; E97-M101 PolarHBondContact O-N 3.13Å
98F87.4Confident80.2Confident5 Ų589.5 Ų89.52%0.02247%0.469CS..Hα-helixtrans-53.6-45.3175.6172.1-97.7000112.6A94 Y95 K100 M101 L116 A119 A120 A123 L135 L136 R139A94-F98 WeakPolarHBondContact O-CB 3.28Å; A94-F98 PolarHBondContact O-N 3.46Å; Y95-F98 WeakPolarHBondContact O-CB 3.44Å; Y95-F98 PolarHBondContact O-N 3.03Å; F98-K100 VanDerWaalsContact C-N 3.28Å; F98-K100 PolarHBondContact O-N 3.48Å; F98-M101 PolarHBondContact O-N 2.66Å; F98-L116 HydrophobicContact CD2-CD1 3.64Å; F98-L116 HydrophobicContact CD2-CG 4.35Å; F98-L116 HydrophobicContact CE2-CD1 3.39Å; F98-L116 HydrophobicContact CE2-CG 3.72Å; F98-L116 HydrophobicContact CZ-CD1 4.22Å; F98-A119 HydrophobicContact CB-CB 4.32Å; F98-A119 HydrophobicContact CD2-CB 4.02Å; F98-A120 HydrophobicContact CD2-CB 4.05Å; F98-A120 HydrophobicContact CE2-CB 3.61Å; F98-A120 HydrophobicContact CZ-CB 4.23Å; F98-A123 HydrophobicContact CB-CB 4.44Å; F98-L135 HydrophobicContact CE1-CD2 4.08Å; F98-L135 HydrophobicContact CE1-CG 4.3Å; F98-L135 HydrophobicContact CZ-CD2 4.07Å; F98-L135 HydrophobicContact CZ-CG 4.14Å; F98-L136 HydrophobicContact CE2-CD2 3.98Å; F98-L136 HydrophobicContact CZ-CD2 4.35Å; F98-R139 HydrophobicContact CE1-CG 4.48Å; F98-R139 HydrophobicContact CZ-CB 4.31Å; F98-R139 HydrophobicContact CZ-CG 4.15Å; F98-R139 PolarHBondContact O-NE 2.88Å
99E87.6Confident81.6Confident109 Ų10981.3 Ų81.351%0.50943%0.428SS..Hα-helixtrans-66.8-26.9178-171.7-176.7-170.300113Y95 S96 E97 R139Y95-E99 WeakPolarHBondContact O-CB 3.41Å; Y95-E99 PolarHBondContact O-N 3.16Å; S96-E99 PolarHBondContact O-N 3.12Å; E97-E99 VanDerWaalsContact C-N 3.31Å; E97-E99 PolarHBondContact O-N 3.44Å; E99-R139 PolarHBondContact O-NH1 3.08Å; E99-R139 PolarHBondContact O-NH2 3.45Å
100K85.4Confident82.8Confident136 Ų13682.9 Ų82.959%0.59143%0.425SS*.Hα-helixtrans-95.4-8.7179.5-70.3169.3-177.4160.30113.7S96 E97 F98 T102S96-K100 WeakPolarHBondContact O-CB 3.37Å; S96-K100 WeakPolarHBondContact O-CD 3.49Å; S96-K100 VanDerWaalsContact O-CG 3.28Å; S96-K100 WeakPolarHBondContact O-CG 3.34Å; S96-K100 PolarHBondContact O-N 3.48Å; S96-K100 VanDerWaalsContact O-N 3.09Å; S96-K100 WeakPolarHBondContact OG-CE 3.33Å; S96-K100 PolarHBondContact OG-NZ 3.01Å; E97-K100 CarbonylContact O-C 3.54Å; E97-K100 PolarHBondContact O-N 3.44Å; F98-K100 VanDerWaalsContact C-N 3.28Å; F98-K100 PolarHBondContact O-N 3.48Å; K100-T102 PolarHBondContact O-N 3.13Å
101M85Confident83.8Confident26 Ų2682.8 Ų82.813%0.12843%0.429CS..  trans-62118.4-177.5-83.9176.778.100112.4E97 F98 F112 R115 L116 A119 R139E97-M101 VanDerWaalsContact O-CG 3.29Å; E97-M101 WeakPolarHBondContact O-CG 3.31Å; E97-M101 PolarHBondContact O-N 3.13Å; F98-M101 PolarHBondContact O-N 2.66Å; M101-F112 HydrophobicContact CB-CE2 4.23Å; M101-F112 HydrophobicContact CE-CE2 4.48Å; M101-R115 HydrophobicContact CE-CB 3.59Å; M101-L116 HydrophobicContact CB-CD1 4.24Å; M101-L116 HydrophobicContact CE-CB 4.4Å; M101-L116 HydrophobicContact CE-CD1 4.27Å; M101-L116 HydrophobicContact SD-CD1 4.03Å; M101-A119 HydrophobicContact CE-CB 4.34Å; M101-A119 HydrophobicContact SD-CB 3.43Å; M101-A119 WeakPolarHBondContact SD-CB 3.27Å; M101-R139 PolarHBondContact O-NH2 3.03Å
102T85.2Confident84.7Confident87 Ų8776.6 Ų76.653%0.53441%0.406SS..  trans-111.6165.4173.152.80000111.2K100 R104 F112 R115K100-T102 PolarHBondContact O-N 3.13Å; T102-R104 PolarHBondContact O-N 3.48Å; T102-F112 VanDerWaalsContact C-CE2 3.5Å; T102-F112 WeakPolarHBondContact O-CE2 3.48Å; T102-R115 PolarHBondContact O-NH2 2.91Å
103L84.1Confident85.1Confident45 Ų4566.3 Ų66.324%0.23637%0.367CS..PPolyproline II helixtrans-62.9126.8169.9-174.368.1000108.9E107 F112 M144 M172L103-E107 HydrophobicContact CD1-CB 4.14Å; L103-E107 HydrophobicContact CD1-CG 4.29Å; L103-F112 HydrophobicContact CD1-CB 3.54Å; L103-F112 HydrophobicContact CD1-CD1 4.21Å; L103-F112 HydrophobicContact CD1-CG 3.91Å; L103-M144 HydrophobicContact CB-CE 4.37Å; L103-M144 HydrophobicContact CD1-CE 4.18Å; L103-M144 HydrophobicContact CD2-CE 3.99Å; L103-M144 HydrophobicContact CD2-SD 3.98Å; L103-M144 HydrophobicContact CG-CE 4.41Å; L103-M172 HydrophobicContact CD2-CE 4.29Å
104R83.8Confident85.5Confident151 Ų15166.4 Ų66.457%0.5737%0.365SS*.PPolyproline II helixtrans-74.8150.2175.3-66.4172.7-179.6-168.90.5109.8T102 G106 E107T102-R104 PolarHBondContact O-N 3.48Å; R104-G106 PolarHBondContact O-N 3.49Å; R104-E107 HydrophobicContact CB-CB 3.87Å; R104-E107 WeakPolarHBondContact CB-OE2 3.31Å; R104-E107 PolarHBondContact N-OE2 2.61Å; R104-E107 VanDerWaalsContact O-CB 3.29Å; R104-E107 WeakPolarHBondContact O-CB 3.01Å; R104-E107 PolarHBondContact O-N 3.39Å
105P77.9Confident85.7Confident136 Ų13667.9 Ų67.988%0.88337%0.367SS*.THydrogen-bonded Turntrans-59.3124.5176.124.3-33.4000110.6E107P105-E107 VanDerWaalsContact C-N 3.27Å; P105-E107 PolarHBondContact O-N 2.93Å
106G80.2Confident86Confident90 Ų9063 Ų6393%0.92835%0.348SS*.THydrogen-bonded Turntrans78.42.3-178.700000115.4R104R104-G106 PolarHBondContact O-N 3.49Å
107E83.9Confident86.1Confident34 Ų3462.6 Ų62.616%0.15935%0.345CS..  trans-78.6142.3175.6-177.4-179.5-147.500111.7L103 R104 P105 A111 F112 R115L103-E107 HydrophobicContact CD1-CB 4.14Å; L103-E107 HydrophobicContact CD1-CG 4.29Å; R104-E107 HydrophobicContact CB-CB 3.87Å; R104-E107 WeakPolarHBondContact CB-OE2 3.31Å; R104-E107 PolarHBondContact N-OE2 2.61Å; R104-E107 VanDerWaalsContact O-CB 3.29Å; R104-E107 WeakPolarHBondContact O-CB 3.01Å; R104-E107 PolarHBondContact O-N 3.39Å; P105-E107 VanDerWaalsContact C-N 3.27Å; P105-E107 PolarHBondContact O-N 2.93Å; E107-A111 HydrophobicContact CG-CB 3.75Å; E107-F112 PolarHBondContact OE1-N 3.49Å; E107-R115 VanDerWaalsContact CD-NH2 3.26Å; E107-R115 IonicContact OE1-CZ 2.66Å; E107-R115 VanDerWaalsContact OE1-CZ 3.29Å; E107-R115 IonicContact OE1-NE 3.16Å; E107-R115 PolarHBondContact OE1-NE 2.89Å; E107-R115 IonicContact OE1-NH2 2.61Å; E107-R115 PolarHBondContact OE1-NH2 3.49Å; E107-R115 VanDerWaalsContact OE1-NH2 3.13Å; E107-R115 IonicContact OE2-CZ 3.74Å; E107-R115 IonicContact OE2-NE 3.13Å; E107-R115 IonicContact OE2-NH2 3.29Å; E107-R115 PolarHBondContact OE2-NH2 3.16Å
108S86.5Confident86.1Confident65 Ų6561.7 Ų61.746%0.45534%0.341SS..  trans-74.6148.5173.972.50000111.6L110 A111 F112S108-L110 PolarHBondContact O-N 3.38Å; S108-L110 VanDerWaalsContact O-N 3.13Å; S108-A111 PolarHBondContact O-N 3.37Å; S108-A111 WeakPolarHBondContact OG-CB 3.32Å; S108-A111 PolarHBondContact OG-N 2.86Å; S108-A111 VanDerWaalsContact OG-N 3.16Å; S108-F112 PolarHBondContact O-N 3.33Å
109V86.7Confident86.1Confident10 Ų1062.5 Ų62.56%0.06135%0.349CS..Hα-helixtrans-52.7-36.7173.7-175.60000111.8A113 L140 M144 I165 L168 M172V109-A113 WeakPolarHBondContact O-CB 3.15Å; V109-A113 PolarHBondContact O-N 3.22Å; V109-L140 HydrophobicContact CG1-CD1 4.15Å; V109-M144 HydrophobicContact CG1-CE 4.42Å; V109-M144 HydrophobicContact CG2-CE 4.38Å; V109-I165 HydrophobicContact CG1-CG1 4.48Å; V109-I165 HydrophobicContact CG1-CG2 4.41Å; V109-L168 HydrophobicContact CG1-CB 4.04Å; V109-L168 HydrophobicContact CG1-CD1 4.09Å; V109-L168 HydrophobicContact CG2-CB 4.47Å; V109-M172 HydrophobicContact CG2-CE 4.28Å; V109-M172 HydrophobicContact CG2-SD 3.21Å; V109-M172 WeakPolarHBondContact CG2-SD 3.34Å
110L88.2Confident86Confident75 Ų7557.3 Ų57.339%0.39333%0.325SS..Hα-helixtrans-62.9-48.7176-83.7173.2000112.8S108 F112 A113 H114 I165 R169S108-L110 PolarHBondContact O-N 3.38Å; S108-L110 VanDerWaalsContact O-N 3.13Å; L110-F112 VanDerWaalsContact C-N 3.3Å; L110-F112 PolarHBondContact O-N 3.48Å; L110-A113 PolarHBondContact O-N 3.31Å; L110-H114 WeakPolarHBondContact O-CB 3.35Å; L110-H114 PolarHBondContact O-N 3.49Å; L110-I165 HydrophobicContact CD2-CG2 3.53Å; L110-I165 HydrophobicContact CG-CG2 3.94Å; L110-R169 VanDerWaalsContact CD2-NH2 3.33Å
111A88.7Confident86Confident40 Ų4056.7 Ų56.733%0.33132%0.324SS..Hα-helixtrans-63.5-41.218000000110.7E107 S108 H114 R115E107-A111 HydrophobicContact CG-CB 3.75Å; S108-A111 PolarHBondContact O-N 3.37Å; S108-A111 WeakPolarHBondContact OG-CB 3.32Å; S108-A111 PolarHBondContact OG-N 2.86Å; S108-A111 VanDerWaalsContact OG-N 3.16Å; A111-H114 PolarHBondContact O-N 3.45Å; A111-R115 WeakPolarHBondContact O-CG 3.43Å; A111-R115 PolarHBondContact O-N 3.3Å
112F89.3Confident85.7Confident0 Ų058.9 Ų58.90%034%0.339CS..Hα-helixtrans-62.7-48.3175.3176.8-125.4000112.4M101 T102 L103 E107 S108 L110 H114 R115 L116 L140 A143 M144M101-F112 HydrophobicContact CB-CE2 4.23Å; M101-F112 HydrophobicContact CE-CE2 4.48Å; T102-F112 VanDerWaalsContact C-CE2 3.5Å; T102-F112 WeakPolarHBondContact O-CE2 3.48Å; L103-F112 HydrophobicContact CD1-CB 3.54Å; L103-F112 HydrophobicContact CD1-CD1 4.21Å; L103-F112 HydrophobicContact CD1-CG 3.91Å; E107-F112 PolarHBondContact OE1-N 3.49Å; S108-F112 PolarHBondContact O-N 3.33Å; L110-F112 VanDerWaalsContact C-N 3.3Å; L110-F112 PolarHBondContact O-N 3.48Å; F112-H114 VanDerWaalsContact C-N 3.3Å; F112-H114 PolarHBondContact O-N 3.46Å; F112-R115 VanDerWaalsContact CD2-NH2 3.31Å; F112-R115 PolarHBondContact O-N 2.85Å; F112-L116 HydrophobicContact CE1-CD2 4.5Å; F112-L116 HydrophobicContact CZ-CD2 4.45Å; F112-L116 VanDerWaalsContact O-CB 3.32Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 PolarHBondContact O-N 3.16Å; F112-L140 HydrophobicContact CD1-CD1 3.45Å; F112-L140 VanDerWaalsContact CD1-CD1 3.45Å; F112-L140 HydrophobicContact CE1-CD1 3.65Å; F112-A143 HydrophobicContact CE1-CB 3.57Å; F112-A143 HydrophobicContact CZ-CB 3.56Å; F112-M144 HydrophobicContact CD1-CE 3.96Å; F112-M144 HydrophobicContact CE1-CE 4.33Å
113A89Confident85.6Confident3 Ų354.8 Ų54.83%0.02531%0.314CS..Hα-helixtrans-59.4-41.7177.800000111.8V109 L110 L116 S117 L161 I165V109-A113 WeakPolarHBondContact O-CB 3.15Å; V109-A113 PolarHBondContact O-N 3.22Å; L110-A113 PolarHBondContact O-N 3.31Å; A113-L116 WeakPolarHBondContact O-CB 3.29Å; A113-L116 PolarHBondContact O-N 2.8Å; A113-L116 VanDerWaalsContact O-N 3.17Å; A113-S117 PolarHBondContact O-N 3.48Å; A113-S117 PolarHBondContact O-OG 2.8Å; A113-S117 VanDerWaalsContact O-OG 3.1Å; A113-L161 HydrophobicContact CB-CD1 4.39Å; A113-I165 HydrophobicContact CB-CD1 3.43Å; A113-I165 VanDerWaalsContact CB-CD1 3.43Å; A113-I165 HydrophobicContact CB-CG1 3.86Å
114H88.7Confident85.5Confident112 Ų11255 Ų5552%0.51932%0.315SS..Hα-helixtrans-61.7-47175.7-176.6-90000112.1L110 A111 F112 L116 S117 Q118L110-H114 WeakPolarHBondContact O-CB 3.35Å; L110-H114 PolarHBondContact O-N 3.49Å; A111-H114 PolarHBondContact O-N 3.45Å; F112-H114 VanDerWaalsContact C-N 3.3Å; F112-H114 PolarHBondContact O-N 3.46Å; H114-L116 PolarHBondContact O-N 3.46Å; H114-S117 PolarHBondContact O-N 3.37Å; H114-Q118 PolarHBondContact CE1-NE2 2.95Å; H114-Q118 PolarHBondContact ND1-OE1 3.44Å; H114-Q118 WeakPolarHBondContact O-CG 3.28Å; H114-Q118 PolarHBondContact O-N 3.29Å
115R87.5Confident85.2Confident47 Ų4750.6 Ų50.618%0.17731%0.306CS..Hα-helixtrans-58.7-40.1174.2-70.7-166.9-61.1110.6-5.5111.3M101 T102 E107 A111 F112 Q118 A119M101-R115 HydrophobicContact CE-CB 3.59Å; T102-R115 PolarHBondContact O-NH2 2.91Å; E107-R115 VanDerWaalsContact CD-NH2 3.26Å; E107-R115 IonicContact OE1-CZ 2.66Å; E107-R115 VanDerWaalsContact OE1-CZ 3.29Å; E107-R115 IonicContact OE1-NE 3.16Å; E107-R115 PolarHBondContact OE1-NE 2.89Å; E107-R115 IonicContact OE1-NH2 2.61Å; E107-R115 PolarHBondContact OE1-NH2 3.49Å; E107-R115 VanDerWaalsContact OE1-NH2 3.13Å; E107-R115 IonicContact OE2-CZ 3.74Å; E107-R115 IonicContact OE2-NE 3.13Å; E107-R115 IonicContact OE2-NH2 3.29Å; E107-R115 PolarHBondContact OE2-NH2 3.16Å; A111-R115 WeakPolarHBondContact O-CG 3.43Å; A111-R115 PolarHBondContact O-N 3.3Å; F112-R115 VanDerWaalsContact CD2-NH2 3.31Å; F112-R115 PolarHBondContact O-N 2.85Å; R115-Q118 PolarHBondContact O-N 2.98Å; R115-A119 WeakPolarHBondContact O-CB 3.43Å; R115-A119 PolarHBondContact O-N 3.4Å
116L90.3Very high85.2Confident0 Ų048.1 Ų48.10%031%0.305CS..Hα-helixtrans-67.3-43.3-177.2-168.666.6000111.3F98 M101 F112 A113 H114 A119 A120 L136 R139F98-L116 HydrophobicContact CD2-CD1 3.64Å; F98-L116 HydrophobicContact CD2-CG 4.35Å; F98-L116 HydrophobicContact CE2-CD1 3.39Å; F98-L116 HydrophobicContact CE2-CG 3.72Å; F98-L116 HydrophobicContact CZ-CD1 4.22Å; M101-L116 HydrophobicContact CB-CD1 4.24Å; M101-L116 HydrophobicContact CE-CB 4.4Å; M101-L116 HydrophobicContact CE-CD1 4.27Å; M101-L116 HydrophobicContact SD-CD1 4.03Å; F112-L116 HydrophobicContact CE1-CD2 4.5Å; F112-L116 HydrophobicContact CZ-CD2 4.45Å; F112-L116 VanDerWaalsContact O-CB 3.32Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 PolarHBondContact O-N 3.16Å; A113-L116 WeakPolarHBondContact O-CB 3.29Å; A113-L116 PolarHBondContact O-N 2.8Å; A113-L116 VanDerWaalsContact O-N 3.17Å; H114-L116 PolarHBondContact O-N 3.46Å; L116-A119 PolarHBondContact O-N 3.33Å; L116-A120 WeakPolarHBondContact O-CB 3.3Å; L116-A120 PolarHBondContact O-N 2.86Å; L116-L136 HydrophobicContact CB-CD2 4.26Å; L116-L136 HydrophobicContact CD2-CD2 3.98Å; L116-L136 HydrophobicContact CG-CD2 3.66Å; L116-R139 HydrophobicContact CD1-CG 3.71Å; L116-R139 HydrophobicContact CD2-CB 3.98Å; L116-R139 HydrophobicContact CD2-CG 3.8Å; L116-R139 HydrophobicContact CG-CG 4.3Å
117S88.4Confident85.2Confident26 Ų2647.3 Ų47.318%0.18228%0.279CS..Hα-helixtrans-58.1-48.2171.9-61.70000111.6A113 H114 A119 A120 E121 L136A113-S117 PolarHBondContact O-N 3.48Å; A113-S117 PolarHBondContact O-OG 2.8Å; A113-S117 VanDerWaalsContact O-OG 3.1Å; H114-S117 PolarHBondContact O-N 3.37Å; S117-A119 VanDerWaalsContact C-N 3.34Å; S117-A119 PolarHBondContact O-N 3.48Å; S117-A120 WeakPolarHBondContact O-CB 3.41Å; S117-A120 PolarHBondContact O-N 2.92Å; S117-A120 VanDerWaalsContact O-N 3.15Å; S117-E121 WeakPolarHBondContact O-CG 3.46Å; S117-E121 PolarHBondContact O-N 3.45Å; S117-L136 WeakPolarHBondContact OG-CD1 3.33Å
118Q85.3Confident85.4Confident98 Ų9850.7 Ų50.746%0.45830%0.298SS..Hα-helixtrans-60.7-42.3178.4-70.8-178.1-43.700112.4H114 R115 A120 V122H114-Q118 PolarHBondContact CE1-NE2 2.95Å; H114-Q118 PolarHBondContact ND1-OE1 3.44Å; H114-Q118 WeakPolarHBondContact O-CG 3.28Å; H114-Q118 PolarHBondContact O-N 3.29Å; R115-Q118 PolarHBondContact O-N 2.98Å; Q118-A120 VanDerWaalsContact C-N 3.35Å; Q118-V122 WeakPolarHBondContact O-CG2 3.5Å; Q118-V122 PolarHBondContact O-N 3.06Å
119A86.1Confident85.3Confident23 Ų2353.7 Ų53.719%0.1931%0.305CS..Hα-helixtrans-66.2-38.1176.300000111.9F98 M101 R115 L116 S117 V122 A123F98-A119 HydrophobicContact CB-CB 4.32Å; F98-A119 HydrophobicContact CD2-CB 4.02Å; M101-A119 HydrophobicContact CE-CB 4.34Å; M101-A119 HydrophobicContact SD-CB 3.43Å; M101-A119 WeakPolarHBondContact SD-CB 3.27Å; R115-A119 WeakPolarHBondContact O-CB 3.43Å; R115-A119 PolarHBondContact O-N 3.4Å; L116-A119 PolarHBondContact O-N 3.33Å; S117-A119 VanDerWaalsContact C-N 3.34Å; S117-A119 PolarHBondContact O-N 3.48Å; A119-V122 PolarHBondContact O-N 2.87Å; A119-A123 WeakPolarHBondContact O-CB 3.36Å; A119-A123 PolarHBondContact O-N 3.33Å
120A87Confident85.3Confident0 Ų057.9 Ų57.90%033%0.327CS..Hα-helixtrans-66.3-39.9177.800000112.7F98 L116 S117 Q118 V122 A123 L124 M132 L136F98-A120 HydrophobicContact CD2-CB 4.05Å; F98-A120 HydrophobicContact CE2-CB 3.61Å; F98-A120 HydrophobicContact CZ-CB 4.23Å; L116-A120 WeakPolarHBondContact O-CB 3.3Å; L116-A120 PolarHBondContact O-N 2.86Å; S117-A120 WeakPolarHBondContact O-CB 3.41Å; S117-A120 PolarHBondContact O-N 2.92Å; S117-A120 VanDerWaalsContact O-N 3.15Å; Q118-A120 VanDerWaalsContact C-N 3.35Å; A120-V122 PolarHBondContact O-N 3Å; A120-A123 PolarHBondContact O-N 2.95Å; A120-L124 WeakPolarHBondContact O-CA 3.46Å; A120-L124 PolarHBondContact O-N 3.37Å; A120-M132 HydrophobicContact CB-CE 4.3Å; A120-M132 HydrophobicContact CB-SD 3.54Å; A120-M132 VanDerWaalsContact CB-SD 3.54Å; A120-L136 HydrophobicContact CB-CD2 3.86Å
121E83.4Confident85.2Confident123 Ų12356.1 Ų56.158%0.57532%0.323SS*.Hα-helixtrans-59.3-35.5175.2-74174.6-170.900112.5S117S117-E121 WeakPolarHBondContact O-CG 3.46Å; S117-E121 PolarHBondContact O-N 3.45Å
122V80.1Confident85.2Confident72 Ų7255.1 Ų55.144%0.43631%0.312SS..Hα-helixtrans-76.9-44.6177.2179.90000110.9R86 A94 Q118 A119 A120R86-V122 PolarHBondContact NH1-O 3.4Å; A94-V122 HydrophobicContact CB-CG1 3.86Å; Q118-V122 WeakPolarHBondContact O-CG2 3.5Å; Q118-V122 PolarHBondContact O-N 3.06Å; A119-V122 PolarHBondContact O-N 2.87Å; A120-V122 PolarHBondContact O-N 3Å
123A83Confident85.2Confident1 Ų156.5 Ų56.51%0.00832%0.319CS..Hα-helixtrans-72.4-38.4-176.400000113.5R91 A94 Y95 F98 A119 A120 P125R91-A123 WeakPolarHBondContact CG-O 3.46Å; A94-A123 HydrophobicContact CB-CB 4.2Å; Y95-A123 HydrophobicContact CD2-CB 4.43Å; F98-A123 HydrophobicContact CB-CB 4.44Å; A119-A123 WeakPolarHBondContact O-CB 3.36Å; A119-A123 PolarHBondContact O-N 3.33Å; A120-A123 PolarHBondContact O-N 2.95Å; A123-P125 VanDerWaalsContact C-CD 3.46Å
124L82.5Confident85.2Confident50 Ų5058.9 Ų58.926%0.26233%0.33SS..  trans-130.761-170.8-61.2171.4000112Y95 A120 G126 L127 M132 L135Y95-L124 HydrophobicContact CD2-CD2 4.1Å; Y95-L124 HydrophobicContact CD2-CG 4.36Å; Y95-L124 HydrophobicContact CE2-CD1 4.38Å; Y95-L124 HydrophobicContact CE2-CD2 4.24Å; A120-L124 WeakPolarHBondContact O-CA 3.46Å; A120-L124 PolarHBondContact O-N 3.37Å; L124-G126 PolarHBondContact O-N 3.01Å; L124-L127 HydrophobicContact CD1-CD2 4.36Å; L124-L127 PolarHBondContact O-N 3.47Å; L124-M132 HydrophobicContact CB-CE 4.32Å; L124-L135 HydrophobicContact CD1-CD2 3.24Å
125P75.6Confident85.2Confident58 Ų5856 Ų5638%0.37732%0.318SS..THydrogen-bonded Turntrans-67.5116.6174.932.2-38.2000110R86 A123R86-P125 VanDerWaalsContact NH1-CG 3.34Å; A123-P125 VanDerWaalsContact C-CD 3.46Å
126G78.3Confident85.3Confident84 Ų8454 Ų5487%0.86631%0.311SS*.THydrogen-bonded Turntrans108.95.3177.300000115.1L124L124-G126 PolarHBondContact O-N 3.01Å
127L81.6Confident85.3Confident72 Ų7254 Ų5438%0.37731%0.311SS..  trans-69.9139.4163.9-16961.9000109.4L124 A131 M132 L135L124-L127 HydrophobicContact CD1-CD2 4.36Å; L124-L127 PolarHBondContact O-N 3.47Å; L127-A131 HydrophobicContact CD1-CB 3.62Å; L127-A131 HydrophobicContact CD2-CB 4.25Å; L127-A131 HydrophobicContact CG-CB 3.74Å; L127-M132 HydrophobicContact CB-CE 3.93Å; L127-M132 HydrophobicContact CD2-CB 4.22Å; L127-M132 HydrophobicContact CD2-CE 4.27Å; L127-M132 HydrophobicContact CD2-SD 4.06Å; L127-M132 HydrophobicContact CG-CB 4.49Å; L127-L135 HydrophobicContact CD2-CD2 4.12Å
128D86.2Confident85.3Confident105 Ų10557.6 Ų57.656%0.56133%0.325SS*.  trans-58.9148.3173.3176.969.2000111.1N130 A131 M132D128-N130 VanDerWaalsContact C-N 3.29Å; D128-N130 PolarHBondContact O-N 3Å; D128-N130 VanDerWaalsContact OD2-CB 3.27Å; D128-N130 WeakPolarHBondContact OD2-CB 3.22Å; D128-N130 PolarHBondContact OD2-N 3.28Å; D128-A131 HydrophobicContact CB-CB 4.21Å; D128-A131 CarbonylContact O-C 3.59Å; D128-A131 PolarHBondContact O-N 2.94Å; D128-A131 VanDerWaalsContact O-N 3.14Å; D128-M132 WeakPolarHBondContact O-CB 3.46Å; D128-M132 PolarHBondContact O-N 3.38Å
129Q85Confident85.4Confident129 Ų12955.1 Ų55.160%0.60331%0.311SS*.Hα-helixtrans-60.3-38.6-176-172.861.445.700112.2M132 D133Q129-M132 WeakPolarHBondContact O-CB 3.45Å; Q129-M132 PolarHBondContact O-N 3.48Å; Q129-D133 PolarHBondContact NE2-OD1 3.04Å; Q129-D133 PolarHBondContact O-N 3.17Å
130N86.7Confident85.5Confident97 Ų9754 Ų5452%0.51930%0.302SS..Hα-helixtrans-69.2-41.3178-176.749.3000111D128 M132 D133 Q134D128-N130 VanDerWaalsContact C-N 3.29Å; D128-N130 PolarHBondContact O-N 3Å; D128-N130 VanDerWaalsContact OD2-CB 3.27Å; D128-N130 WeakPolarHBondContact OD2-CB 3.22Å; D128-N130 PolarHBondContact OD2-N 3.28Å; N130-M132 VanDerWaalsContact C-N 3.3Å; N130-M132 PolarHBondContact O-N 2.86Å; N130-D133 PolarHBondContact O-N 3.41Å; N130-Q134 WeakPolarHBondContact O-CG 3.47Å; N130-Q134 PolarHBondContact O-N 3.1Å
131A87.2Confident85.5Confident39 Ų3954.3 Ų54.332%0.32230%0.304SS..Hα-helixtrans-65.4-35.1175.300000112.1L127 D128 L135L127-A131 HydrophobicContact CD1-CB 3.62Å; L127-A131 HydrophobicContact CD2-CB 4.25Å; L127-A131 HydrophobicContact CG-CB 3.74Å; D128-A131 HydrophobicContact CB-CB 4.21Å; D128-A131 CarbonylContact O-C 3.59Å; D128-A131 PolarHBondContact O-N 2.94Å; D128-A131 VanDerWaalsContact O-N 3.14Å; A131-L135 WeakPolarHBondContact O-CB 3.46Å; A131-L135 PolarHBondContact O-N 3Å
132M88.4Confident85.5Confident18 Ų1851 Ų519%0.08929%0.294CS..Hα-helixtrans-63.4-48.2172.9-171.266.181.200110.8A120 L124 L127 D128 Q129 N130 Q134 L135 L136A120-M132 HydrophobicContact CB-CE 4.3Å; A120-M132 HydrophobicContact CB-SD 3.54Å; A120-M132 VanDerWaalsContact CB-SD 3.54Å; L124-M132 HydrophobicContact CB-CE 4.32Å; L127-M132 HydrophobicContact CB-CE 3.93Å; L127-M132 HydrophobicContact CD2-CB 4.22Å; L127-M132 HydrophobicContact CD2-CE 4.27Å; L127-M132 HydrophobicContact CD2-SD 4.06Å; L127-M132 HydrophobicContact CG-CB 4.49Å; D128-M132 WeakPolarHBondContact O-CB 3.46Å; D128-M132 PolarHBondContact O-N 3.38Å; Q129-M132 WeakPolarHBondContact O-CB 3.45Å; Q129-M132 PolarHBondContact O-N 3.48Å; N130-M132 VanDerWaalsContact C-N 3.3Å; N130-M132 PolarHBondContact O-N 2.86Å; M132-Q134 PolarHBondContact O-N 3.44Å; M132-L135 PolarHBondContact O-N 3.34Å; M132-L136 HydrophobicContact CG-CD1 3.96Å; M132-L136 HydrophobicContact CG-CG 4.35Å; M132-L136 WeakPolarHBondContact O-CB 3.35Å; M132-L136 WeakPolarHBondContact O-CG 3.44Å; M132-L136 PolarHBondContact O-N 3.23Å
133D88.8Confident85.7Confident29 Ų2948.6 Ų48.616%0.15528%0.282CS..Hα-helixtrans-60.5-45178.8-79.17000111.7Q129 N130 L135 L136 V137Q129-D133 PolarHBondContact NE2-OD1 3.04Å; Q129-D133 PolarHBondContact O-N 3.17Å; N130-D133 PolarHBondContact O-N 3.41Å; D133-L135 PolarHBondContact O-N 2.97Å; D133-L136 PolarHBondContact O-N 2.81Å; D133-V137 VanDerWaalsContact O-CG2 3.31Å; D133-V137 WeakPolarHBondContact O-CG2 3.4Å; D133-V137 PolarHBondContact O-N 3.15Å
134Q88.6Confident85.6Confident53 Ų5348.8 Ų48.825%0.24828%0.282CS..Hα-helixtrans-60.2-44.5175.7-67.4-50.4-51.700112N130 M132 L136 V137 Q138 W159N130-Q134 WeakPolarHBondContact O-CG 3.47Å; N130-Q134 PolarHBondContact O-N 3.1Å; M132-Q134 PolarHBondContact O-N 3.44Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; Q134-L136 PolarHBondContact O-N 2.92Å; Q134-V137 PolarHBondContact O-N 3.35Å; Q134-Q138 WeakPolarHBondContact O-CG 3.18Å; Q134-Q138 PolarHBondContact O-N 3.4Å; Q134-W159 PolarHBondContact NE2-O 3.43Å
135L89Confident85.4Confident53 Ų5350.1 Ų50.128%0.27729%0.294SS..Hα-helixtrans-61.9-43.9177.5-18068.3000111.6F98 L124 L127 A131 M132 D133 Q138 R139F98-L135 HydrophobicContact CE1-CD2 4.08Å; F98-L135 HydrophobicContact CE1-CG 4.3Å; F98-L135 HydrophobicContact CZ-CD2 4.07Å; F98-L135 HydrophobicContact CZ-CG 4.14Å; L124-L135 HydrophobicContact CD1-CD2 3.24Å; L127-L135 HydrophobicContact CD2-CD2 4.12Å; A131-L135 WeakPolarHBondContact O-CB 3.46Å; A131-L135 PolarHBondContact O-N 3Å; M132-L135 PolarHBondContact O-N 3.34Å; D133-L135 PolarHBondContact O-N 2.97Å; L135-Q138 PolarHBondContact O-N 3.36Å; L135-R139 WeakPolarHBondContact O-CB 3.49Å; L135-R139 PolarHBondContact O-N 2.9Å
136L90.6Very high85.5Confident4 Ų453 Ų532%0.02130%0.302CS..Hα-helixtrans-64.5-40.7178.8-69.7174000111.5F98 L116 S117 A120 M132 D133 Q134 R139 L140 L161F98-L136 HydrophobicContact CE2-CD2 3.98Å; F98-L136 HydrophobicContact CZ-CD2 4.35Å; L116-L136 HydrophobicContact CB-CD2 4.26Å; L116-L136 HydrophobicContact CD2-CD2 3.98Å; L116-L136 HydrophobicContact CG-CD2 3.66Å; S117-L136 WeakPolarHBondContact OG-CD1 3.33Å; A120-L136 HydrophobicContact CB-CD2 3.86Å; M132-L136 HydrophobicContact CG-CD1 3.96Å; M132-L136 HydrophobicContact CG-CG 4.35Å; M132-L136 WeakPolarHBondContact O-CB 3.35Å; M132-L136 WeakPolarHBondContact O-CG 3.44Å; M132-L136 PolarHBondContact O-N 3.23Å; D133-L136 PolarHBondContact O-N 2.81Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; Q134-L136 PolarHBondContact O-N 2.92Å; L136-R139 PolarHBondContact O-N 3.48Å; L136-L140 WeakPolarHBondContact O-CB 3.22Å; L136-L140 PolarHBondContact O-N 2.86Å; L136-L161 HydrophobicContact CB-CD1 3.92Å; L136-L161 HydrophobicContact CB-CD2 4.5Å; L136-L161 HydrophobicContact CD1-CD2 3.78Å
137V89.8Confident85.4Confident0 Ų051.9 Ų51.90%029%0.285CS..Hα-helixtrans-61.1-52.1173.8167.30000110.8D133 Q134 R139 L140 L141 W159 A164D133-V137 VanDerWaalsContact O-CG2 3.31Å; D133-V137 WeakPolarHBondContact O-CG2 3.4Å; D133-V137 PolarHBondContact O-N 3.15Å; Q134-V137 PolarHBondContact O-N 3.35Å; V137-R139 PolarHBondContact O-N 3.28Å; V137-L140 WeakPolarHBondContact O-CB 3.44Å; V137-L140 PolarHBondContact O-N 3.5Å; V137-L140 VanDerWaalsContact O-N 3.16Å; V137-L141 HydrophobicContact CG1-CD1 3.97Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 VanDerWaalsContact O-CG 3.3Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 2.95Å; V137-W159 HydrophobicContact CG1-CB 3.83Å; V137-W159 HydrophobicContact CG1-CG 4.35Å; V137-W159 HydrophobicContact CG2-CB 4.08Å; V137-A164 HydrophobicContact CG1-CB 4.36Å; V137-A164 HydrophobicContact CG2-CB 3.92Å
138Q87.9Confident85.3Confident101 Ų10149.7 Ų49.747%0.47227%0.272SS..Hα-helixtrans-58.1-41.6-179.7-70.8-59.8-4000111.2Q134 L135 L141 S142Q134-Q138 WeakPolarHBondContact O-CG 3.18Å; Q134-Q138 PolarHBondContact O-N 3.4Å; L135-Q138 PolarHBondContact O-N 3.36Å; Q138-L141 PolarHBondContact O-N 3.32Å; Q138-S142 WeakPolarHBondContact O-CB 3.39Å; Q138-S142 PolarHBondContact O-N 3.49Å
139R88.6Confident85.1Confident47 Ų4748.1 Ų48.118%0.17726%0.258CS..Hα-helixtrans-69.4-41.6178.2-176.562.1-164.7145.3-2.7112F98 E99 M101 L116 L135 L136 V137 L141 S142 A143F98-R139 HydrophobicContact CE1-CG 4.48Å; F98-R139 HydrophobicContact CZ-CB 4.31Å; F98-R139 HydrophobicContact CZ-CG 4.15Å; F98-R139 PolarHBondContact O-NE 2.88Å; E99-R139 PolarHBondContact O-NH1 3.08Å; E99-R139 PolarHBondContact O-NH2 3.45Å; M101-R139 PolarHBondContact O-NH2 3.03Å; L116-R139 HydrophobicContact CD1-CG 3.71Å; L116-R139 HydrophobicContact CD2-CB 3.98Å; L116-R139 HydrophobicContact CD2-CG 3.8Å; L116-R139 HydrophobicContact CG-CG 4.3Å; L135-R139 WeakPolarHBondContact O-CB 3.49Å; L135-R139 PolarHBondContact O-N 2.9Å; L136-R139 PolarHBondContact O-N 3.48Å; V137-R139 PolarHBondContact O-N 3.28Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-L141 PolarHBondContact O-N 3.05Å; R139-S142 WeakPolarHBondContact CA-OG 3.04Å; R139-S142 PolarHBondContact NH1-OG 3.23Å; R139-S142 PolarHBondContact O-N 2.97Å; R139-S142 PolarHBondContact O-OG 3.33Å; R139-A143 PolarHBondContact O-N 3.21Å
140L88.2Confident84.9Confident0 Ų045.5 Ų45.50%025%0.249CC..Hα-helixtrans-57-48173.5-178.163.5000111V109 F112 L136 V137 A143 M144 L161 A164 I165 L168V109-L140 HydrophobicContact CG1-CD1 4.15Å; F112-L140 HydrophobicContact CD1-CD1 3.45Å; F112-L140 VanDerWaalsContact CD1-CD1 3.45Å; F112-L140 HydrophobicContact CE1-CD1 3.65Å; L136-L140 WeakPolarHBondContact O-CB 3.22Å; L136-L140 PolarHBondContact O-N 2.86Å; V137-L140 WeakPolarHBondContact O-CB 3.44Å; V137-L140 PolarHBondContact O-N 3.5Å; V137-L140 VanDerWaalsContact O-N 3.16Å; L140-A143 PolarHBondContact O-N 2.7Å; L140-M144 HydrophobicContact CD1-CE 3.8Å; L140-M144 VanDerWaalsContact O-CG 3.27Å; L140-M144 WeakPolarHBondContact O-CG 3.46Å; L140-M144 PolarHBondContact O-N 3.43Å; L140-L161 HydrophobicContact CD2-CD1 4.44Å; L140-A164 HydrophobicContact CD2-CB 4.33Å; L140-I165 HydrophobicContact CD2-CG1 4.06Å; L140-L168 HydrophobicContact CD1-CD1 4.29Å; L140-L168 HydrophobicContact CD2-CD1 3.55Å; L140-L168 HydrophobicContact CG-CD1 3.64Å
141L85.1Confident84.6Confident6 Ų645.8 Ų45.83%0.03125%0.246CC..Hα-helixtrans-59.9-48.1175.8-68.9176.4000111.3V137 Q138 R139 A143 M144 R149 M152V137-L141 HydrophobicContact CG1-CD1 3.97Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 VanDerWaalsContact O-CG 3.3Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 2.95Å; Q138-L141 PolarHBondContact O-N 3.32Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-L141 PolarHBondContact O-N 3.05Å; L141-A143 PolarHBondContact O-N 3.34Å; L141-M144 PolarHBondContact O-N 3.17Å; L141-R149 HydrophobicContact CB-CG 4.18Å; L141-R149 WeakPolarHBondContact O-CD 3.31Å; L141-R149 WeakPolarHBondContact O-CG 3.35Å; L141-M152 HydrophobicContact CD2-CB 3.82Å; L141-M152 HydrophobicContact CD2-CG 3.91Å; L141-M152 HydrophobicContact CD2-SD 3.35Å; L141-M152 WeakPolarHBondContact CD2-SD 3.46Å
142S84.1Confident84.4Confident54 Ų5443.9 Ų43.938%0.37823%0.231SC..Hα-helixtrans-60.5-29.9-179.474.90000113.6Q138 R139 M144 R149Q138-S142 WeakPolarHBondContact O-CB 3.39Å; Q138-S142 PolarHBondContact O-N 3.49Å; R139-S142 WeakPolarHBondContact CA-OG 3.04Å; R139-S142 PolarHBondContact NH1-OG 3.23Å; R139-S142 PolarHBondContact O-N 2.97Å; R139-S142 PolarHBondContact O-OG 3.33Å; S142-M144 VanDerWaalsContact C-N 3.31Å; S142-R149 PolarHBondContact O-NH1 2.92Å
143A83.9Confident84.1Confident21 Ų2147.6 Ų47.617%0.17425%0.25CS..THydrogen-bonded Turntrans-79.6-11.3178.400000113.6F112 R139 L140 L141F112-A143 HydrophobicContact CE1-CB 3.57Å; F112-A143 HydrophobicContact CZ-CB 3.56Å; R139-A143 PolarHBondContact O-N 3.21Å; L140-A143 PolarHBondContact O-N 2.7Å; L141-A143 PolarHBondContact O-N 3.34Å
144M81Confident83.8Confident4 Ų453.1 Ų53.12%0.0228%0.279CS..SBendtrans-100155.8-179-61.9-66.1161.500111.6L103 V109 F112 L140 L141 S142 Y148 R149 L168 M172L103-M144 HydrophobicContact CB-CE 4.37Å; L103-M144 HydrophobicContact CD1-CE 4.18Å; L103-M144 HydrophobicContact CD2-CE 3.99Å; L103-M144 HydrophobicContact CD2-SD 3.98Å; L103-M144 HydrophobicContact CG-CE 4.41Å; V109-M144 HydrophobicContact CG1-CE 4.42Å; V109-M144 HydrophobicContact CG2-CE 4.38Å; F112-M144 HydrophobicContact CD1-CE 3.96Å; F112-M144 HydrophobicContact CE1-CE 4.33Å; L140-M144 HydrophobicContact CD1-CE 3.8Å; L140-M144 VanDerWaalsContact O-CG 3.27Å; L140-M144 WeakPolarHBondContact O-CG 3.46Å; L140-M144 PolarHBondContact O-N 3.43Å; L141-M144 PolarHBondContact O-N 3.17Å; S142-M144 VanDerWaalsContact C-N 3.31Å; M144-Y148 HydrophobicContact CB-CD2 4.45Å; M144-R149 PolarHBondContact O-NH1 3.31Å; M144-L168 HydrophobicContact CG-CD2 4.5Å; M144-M172 HydrophobicContact SD-SD 4.31Å
145P78.8Confident83.4Confident79 Ų7956.2 Ų56.251%0.51329%0.294SS..  trans-52.4148.7171.3-27.734.6000113.6A147 Y148 R149P145-A147 PolarHBondContact O-N 3.15Å; P145-Y148 HydrophobicContact CB-CD2 3.99Å; P145-Y148 HydrophobicContact CB-CE2 4.09Å; P145-Y148 HydrophobicContact CG-CD2 4.11Å; P145-Y148 HydrophobicContact CG-CE2 3.92Å; P145-Y148 PolarHBondContact O-N 3.25Å; P145-R149 PolarHBondContact O-N 3.16Å
146E77.6Confident82.9Confident117 Ų11756.1 Ų56.155%0.54730%0.297SS..Hα-helixtrans-59.1-31.3-175.2-165.5178.3155.700113.8Y148 R149 N150E146-Y148 VanDerWaalsContact C-N 3.33Å; E146-Y148 PolarHBondContact O-N 3.43Å; E146-R149 WeakPolarHBondContact O-CB 3.33Å; E146-R149 PolarHBondContact O-N 2.87Å; E146-R149 VanDerWaalsContact O-N 3.15Å; E146-N150 PolarHBondContact O-N 3.03Å
147A75.9Confident82.3Confident61 Ų6162.8 Ų62.850%0.50433%0.333SS..Hα-helixtrans-54-48.8177.500000111.7P145 H151P145-A147 PolarHBondContact O-N 3.15Å; A147-H151 PolarHBondContact O-CD2 3.3Å; A147-H151 PolarHBondContact O-N 3.03Å
148Y80.5Confident81.8Confident26 Ų2667.8 Ų67.810%0.10236%0.364CS..Hα-helixtrans-69.7-39.2178.3-52.5-64.5000111.9M144 P145 E146 N150 H151 M152 L171 M172 D175M144-Y148 HydrophobicContact CB-CD2 4.45Å; P145-Y148 HydrophobicContact CB-CD2 3.99Å; P145-Y148 HydrophobicContact CB-CE2 4.09Å; P145-Y148 HydrophobicContact CG-CD2 4.11Å; P145-Y148 HydrophobicContact CG-CE2 3.92Å; P145-Y148 PolarHBondContact O-N 3.25Å; E146-Y148 VanDerWaalsContact C-N 3.33Å; E146-Y148 PolarHBondContact O-N 3.43Å; Y148-N150 VanDerWaalsContact C-N 3.33Å; Y148-N150 PolarHBondContact O-N 2.97Å; Y148-H151 PolarHBondContact O-N 3.44Å; Y148-M152 VanDerWaalsContact O-CG 3.29Å; Y148-M152 WeakPolarHBondContact O-CG 3.41Å; Y148-M152 PolarHBondContact O-N 3Å; Y148-L171 HydrophobicContact CD1-CB 3.89Å; Y148-L171 HydrophobicContact CD1-CD1 4.49Å; Y148-L171 HydrophobicContact CE1-CB 4.21Å; Y148-M172 HydrophobicContact CE1-CG 4.25Å; Y148-M172 HydrophobicContact CE2-CG 4.43Å; Y148-D175 WeakPolarHBondContact CE1-OD2 3.5Å; Y148-D175 VanDerWaalsContact OH-CB 3.25Å; Y148-D175 WeakPolarHBondContact OH-CB 3.27Å; Y148-D175 VanDerWaalsContact OH-CG 3.27Å; Y148-D175 PolarHBondContact OH-OD2 2.96Å
149R81.9Confident81.6Confident73 Ų7364.1 Ų64.128%0.27535%0.346SS..Hα-helixtrans-56.5-47.3178.6-68.4-165.2-67.3-107.57.1111.7L141 S142 M144 P145 E146 H151 M152 L153L141-R149 HydrophobicContact CB-CG 4.18Å; L141-R149 WeakPolarHBondContact O-CD 3.31Å; L141-R149 WeakPolarHBondContact O-CG 3.35Å; S142-R149 PolarHBondContact O-NH1 2.92Å; M144-R149 PolarHBondContact O-NH1 3.31Å; P145-R149 PolarHBondContact O-N 3.16Å; E146-R149 WeakPolarHBondContact O-CB 3.33Å; E146-R149 PolarHBondContact O-N 2.87Å; E146-R149 VanDerWaalsContact O-N 3.15Å; R149-H151 PolarHBondContact O-N 3.27Å; R149-M152 PolarHBondContact O-N 3.21Å; R149-M152 VanDerWaalsContact O-N 3.12Å; R149-L153 WeakPolarHBondContact O-CG 3.13Å; R149-L153 PolarHBondContact O-N 3.03Å
150N81.5Confident81.6Confident74 Ų7466.4 Ų66.440%0.39636%0.36SS..Hα-helixtrans-64.4-41.2-179.2-67.5-14.4000111.5E146 Y148 M152 L153 L154E146-N150 PolarHBondContact O-N 3.03Å; Y148-N150 VanDerWaalsContact C-N 3.33Å; Y148-N150 PolarHBondContact O-N 2.97Å; N150-M152 VanDerWaalsContact C-N 3.28Å; N150-M152 PolarHBondContact O-N 3.48Å; N150-L153 PolarHBondContact O-N 3.22Å; N150-L154 WeakPolarHBondContact O-CD1 3.22Å; N150-L154 VanDerWaalsContact O-CG 3.31Å; N150-L154 WeakPolarHBondContact O-CG 3.31Å; N150-L154 PolarHBondContact O-N 2.85Å; N150-L154 VanDerWaalsContact O-N 3.11Å
151H80.1Confident81.4Confident102 Ų10267 Ų6747%0.47236%0.363SS..Hα-helixtrans-63.4-30.8173.5-81.6-65.7000113.6A147 Y148 R149 K167 L171A147-H151 PolarHBondContact O-CD2 3.3Å; A147-H151 PolarHBondContact O-N 3.03Å; Y148-H151 PolarHBondContact O-N 3.44Å; R149-H151 PolarHBondContact O-N 3.27Å; H151-K167 PolarHBondContact O-NZ 3Å; H151-L171 HydrophobicContact CB-CD1 4.42Å; H151-L171 HydrophobicContact CB-CD2 4.45Å
152M82.4Confident81.5Confident0 Ų073.1 Ų73.10%039%0.391CS..Hα-helixtrans-76.2-45.2175.5-62-1519300112.1L141 Y148 R149 N150 L154 E155 S156 W159 A164 K167 L168 L171L141-M152 HydrophobicContact CD2-CB 3.82Å; L141-M152 HydrophobicContact CD2-CG 3.91Å; L141-M152 HydrophobicContact CD2-SD 3.35Å; L141-M152 WeakPolarHBondContact CD2-SD 3.46Å; Y148-M152 VanDerWaalsContact O-CG 3.29Å; Y148-M152 WeakPolarHBondContact O-CG 3.41Å; Y148-M152 PolarHBondContact O-N 3Å; R149-M152 PolarHBondContact O-N 3.21Å; R149-M152 VanDerWaalsContact O-N 3.12Å; N150-M152 VanDerWaalsContact C-N 3.28Å; N150-M152 PolarHBondContact O-N 3.48Å; M152-L154 VanDerWaalsContact C-N 3.31Å; M152-L154 PolarHBondContact O-N 2.78Å; M152-E155 PolarHBondContact O-N 3.46Å; M152-S156 PolarHBondContact O-N 2.78Å; M152-W159 HydrophobicContact CE-CD2 4.34Å; M152-W159 HydrophobicContact CE-CE3 4.11Å; M152-W159 HydrophobicContact CE-CH2 4.31Å; M152-W159 HydrophobicContact CE-CZ2 4.45Å; M152-W159 HydrophobicContact CE-CZ3 4.1Å; M152-W159 VanDerWaalsContact O-CZ2 3.28Å; M152-W159 WeakPolarHBondContact O-CZ2 3.44Å; M152-W159 PolarHBondContact O-NE1 3.26Å; M152-A164 HydrophobicContact CE-CB 4.36Å; M152-K167 HydrophobicContact CE-CB 3.67Å; M152-K167 HydrophobicContact CE-CD 3.67Å; M152-K167 HydrophobicContact CE-CG 3.79Å; M152-L168 HydrophobicContact CE-CG 4.1Å; M152-L168 HydrophobicContact CG-CD2 4.39Å; M152-L168 HydrophobicContact SD-CD1 4.1Å; M152-L168 HydrophobicContact SD-CD2 3.47Å; M152-L168 WeakPolarHBondContact SD-CD2 3.19Å; M152-L168 HydrophobicContact SD-CG 3.48Å; M152-L168 WeakPolarHBondContact SD-CG 3.49Å; M152-L171 HydrophobicContact CG-CD1 4.29Å
153L81.6Confident81.7Confident95 Ų9574.9 Ų74.950%0.49739%0.394SS..Hα-helixtrans-64.4-31.7-179.1-70.2168.4000113.4R149 N150 E155R149-L153 WeakPolarHBondContact O-CG 3.13Å; R149-L153 PolarHBondContact O-N 3.03Å; N150-L153 PolarHBondContact O-N 3.22Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 2.59Å
154L82.5Confident81.8Confident146 Ų14673.9 Ų73.976%0.76439%0.385SS*.Hα-helixtrans-70.3-27.3179-78.1164.3000113.8N150 M152N150-L154 WeakPolarHBondContact O-CD1 3.22Å; N150-L154 VanDerWaalsContact O-CG 3.31Å; N150-L154 WeakPolarHBondContact O-CG 3.31Å; N150-L154 PolarHBondContact O-N 2.85Å; N150-L154 VanDerWaalsContact O-N 3.11Å; M152-L154 VanDerWaalsContact C-N 3.31Å; M152-L154 PolarHBondContact O-N 2.78Å
155E80.9Confident82.1Confident117 Ų11773.9 Ų73.955%0.54739%0.385SS..Hα-helixtrans-93.4-34.1-173-75.1-176.6-142.800113.1M152 L153 W159 K167M152-E155 PolarHBondContact O-N 3.46Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 2.59Å; E155-W159 HydrophobicContact CB-CH2 4.37Å; E155-W159 HydrophobicContact CB-CZ2 4.13Å; E155-K167 VanDerWaalsContact CB-NZ 3.31Å; E155-K167 VanDerWaalsContact OE1-CE 3.31Å; E155-K167 WeakPolarHBondContact OE1-CE 3.47Å; E155-K167 IonicContact OE1-NZ 2.71Å; E155-K167 PolarHBondContact OE1-NZ 3.25Å; E155-K167 VanDerWaalsContact OE1-NZ 3.16Å; E155-K167 WeakPolarHBondContact OE2-CE 3.41Å; E155-K167 IonicContact OE2-NZ 2.79Å; E155-K167 PolarHBondContact OE2-NZ 3.04Å
156S78.4Confident82.5Confident51 Ų5171.9 Ų71.936%0.35738%0.379SS..  trans-158.7146.2178.9-57.50000111.4M152 W159M152-S156 PolarHBondContact O-N 2.78Å; S156-W159 PolarHBondContact O-NE1 3.48Å
157D77.9Confident82.9Confident144 Ų14467.8 Ų67.877%0.7736%0.359SS*.SBendtrans-86.7-30.9177.3-165.334000111.9
158T80Confident83.3Confident105 Ų10564.9 Ų64.964%0.64434%0.335SS*.  trans-111.1124178.456.10000110.5
159W84Confident83.6Confident24 Ų2469.2 Ų69.29%0.09135%0.351CS..  trans-124.4140.8173.8-6281.3000109.8Q134 V137 M152 E155 S156 E163 A164 K167Q134-W159 PolarHBondContact NE2-O 3.43Å; V137-W159 HydrophobicContact CG1-CB 3.83Å; V137-W159 HydrophobicContact CG1-CG 4.35Å; V137-W159 HydrophobicContact CG2-CB 4.08Å; M152-W159 HydrophobicContact CE-CD2 4.34Å; M152-W159 HydrophobicContact CE-CE3 4.11Å; M152-W159 HydrophobicContact CE-CH2 4.31Å; M152-W159 HydrophobicContact CE-CZ2 4.45Å; M152-W159 HydrophobicContact CE-CZ3 4.1Å; M152-W159 VanDerWaalsContact O-CZ2 3.28Å; M152-W159 WeakPolarHBondContact O-CZ2 3.44Å; M152-W159 PolarHBondContact O-NE1 3.26Å; E155-W159 HydrophobicContact CB-CH2 4.37Å; E155-W159 HydrophobicContact CB-CZ2 4.13Å; S156-W159 PolarHBondContact O-NE1 3.48Å; W159-E163 HydrophobicContact CE3-CB 4.14Å; W159-A164 HydrophobicContact CB-CB 4.26Å; W159-K167 HydrophobicContact CH2-CD 3.34Å; W159-K167 HydrophobicContact CZ2-CD 4.26Å; W159-K167 HydrophobicContact CZ3-CB 4.4Å; W159-K167 HydrophobicContact CZ3-CD 3.62Å
160M87.7Confident83.7Confident95 Ų9568.9 Ų68.947%0.46836%0.361SS..  trans-83.5155.9159.3-67.5-173.9-71.700110.1Q162 E163 A164M160-Q162 VanDerWaalsContact C-N 3.28Å; M160-Q162 PolarHBondContact O-N 3.11Å; M160-E163 HydrophobicContact CB-CG 4.24Å; M160-E163 HydrophobicContact CE-CG 4.27Å; M160-E163 WeakPolarHBondContact CE-OE1 3.35Å; M160-E163 PolarHBondContact N-OE2 2.78Å; M160-E163 PolarHBondContact O-N 3.36Å; M160-E163 VanDerWaalsContact O-N 3.16Å; M160-A164 PolarHBondContact O-N 3.43Å
161L84.5Confident83.8Confident12 Ų1267.1 Ų67.16%0.06335%0.351CS..Hα-helixtrans-54.1-44.5-177.6179.361.8000112.5A113 L136 L140 A164 I165A113-L161 HydrophobicContact CB-CD1 4.39Å; L136-L161 HydrophobicContact CB-CD1 3.92Å; L136-L161 HydrophobicContact CB-CD2 4.5Å; L136-L161 HydrophobicContact CD1-CD2 3.78Å; L140-L161 HydrophobicContact CD2-CD1 4.44Å; L161-A164 PolarHBondContact O-N 3.32Å; L161-I165 HydrophobicContact CD1-CD1 4Å; L161-I165 HydrophobicContact CD1-CG1 4.34Å; L161-I165 HydrophobicContact CG-CD1 3.84Å; L161-I165 WeakPolarHBondContact O-CD1 3.45Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.09Å
162Q86.3Confident83.7Confident136 Ų13664.6 Ų64.664%0.63634%0.34SS*.Hα-helixtrans-67.1-38.5-178.4-65.7-59.1-41.800112.9M160 I165 G166M160-Q162 VanDerWaalsContact C-N 3.28Å; M160-Q162 PolarHBondContact O-N 3.11Å; Q162-I165 PolarHBondContact O-N 3.41Å; Q162-G166 PolarHBondContact O-N 3.38Å
163E88.1Confident83.5Confident91 Ų9168.3 Ų68.343%0.42537%0.366SS..Hα-helixtrans-66.5-44.7177.6-62.4172.5155.800110.5W159 M160 I165 G166 K167W159-E163 HydrophobicContact CE3-CB 4.14Å; M160-E163 HydrophobicContact CB-CG 4.24Å; M160-E163 HydrophobicContact CE-CG 4.27Å; M160-E163 WeakPolarHBondContact CE-OE1 3.35Å; M160-E163 PolarHBondContact N-OE2 2.78Å; M160-E163 PolarHBondContact O-N 3.36Å; M160-E163 VanDerWaalsContact O-N 3.16Å; E163-I165 PolarHBondContact O-N 2.82Å; E163-G166 PolarHBondContact O-N 3.27Å; E163-K167 PolarHBondContact O-N 2.94Å
164A87.4Confident82.7Confident0 Ų071.1 Ų71.10%037%0.374CS..Hα-helixtrans-60.1-46.1176.800000111.4V137 L140 M152 W159 M160 L161 K167 L168V137-A164 HydrophobicContact CG1-CB 4.36Å; V137-A164 HydrophobicContact CG2-CB 3.92Å; L140-A164 HydrophobicContact CD2-CB 4.33Å; M152-A164 HydrophobicContact CE-CB 4.36Å; W159-A164 HydrophobicContact CB-CB 4.26Å; M160-A164 PolarHBondContact O-N 3.43Å; L161-A164 PolarHBondContact O-N 3.32Å; A164-K167 PolarHBondContact O-N 3.36Å; A164-L168 VanDerWaalsContact O-CB 3.31Å; A164-L168 WeakPolarHBondContact O-CB 3.38Å; A164-L168 VanDerWaalsContact O-CG 3.27Å; A164-L168 WeakPolarHBondContact O-CG 3.39Å; A164-L168 PolarHBondContact O-N 3.3Å
165I87.2Confident81.7Confident3 Ų367.5 Ų67.52%0.01536%0.356CS..Hα-helixtrans-61.1-46.2176.3-69.1164.6000111.6V109 L110 A113 L140 L161 Q162 E163 K167 L168 R169V109-I165 HydrophobicContact CG1-CG1 4.48Å; V109-I165 HydrophobicContact CG1-CG2 4.41Å; L110-I165 HydrophobicContact CD2-CG2 3.53Å; L110-I165 HydrophobicContact CG-CG2 3.94Å; A113-I165 HydrophobicContact CB-CD1 3.43Å; A113-I165 VanDerWaalsContact CB-CD1 3.43Å; A113-I165 HydrophobicContact CB-CG1 3.86Å; L140-I165 HydrophobicContact CD2-CG1 4.06Å; L161-I165 HydrophobicContact CD1-CD1 4Å; L161-I165 HydrophobicContact CD1-CG1 4.34Å; L161-I165 HydrophobicContact CG-CD1 3.84Å; L161-I165 WeakPolarHBondContact O-CD1 3.45Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.09Å; Q162-I165 PolarHBondContact O-N 3.41Å; E163-I165 PolarHBondContact O-N 2.82Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 2.9Å; I165-L168 PolarHBondContact O-N 3.41Å; I165-R169 WeakPolarHBondContact O-CB 3.42Å; I165-R169 PolarHBondContact O-N 3.11Å
166G86.8Confident80.6Confident37 Ų3766.6 Ų66.638%0.38136%0.362SS..Hα-helixtrans-60.3-45.5-178.300000111.6Q162 E163 R169 S170Q162-G166 PolarHBondContact O-N 3.38Å; E163-G166 PolarHBondContact O-N 3.27Å; G166-R169 PolarHBondContact O-N 2.8Å; G166-S170 PolarHBondContact O-N 3.43Å; G166-S170 VanDerWaalsContact O-N 3.12Å
167K85.1Confident79.1Confident31 Ų3168.7 Ų68.714%0.13538%0.383CS..Hα-helixtrans-72.2-41.7179.1-176.1174.6163.5-163.80112.9H151 M152 E155 W159 E163 A164 I165 R169 S170 L171H151-K167 PolarHBondContact O-NZ 3Å; M152-K167 HydrophobicContact CE-CB 3.67Å; M152-K167 HydrophobicContact CE-CD 3.67Å; M152-K167 HydrophobicContact CE-CG 3.79Å; E155-K167 VanDerWaalsContact CB-NZ 3.31Å; E155-K167 VanDerWaalsContact OE1-CE 3.31Å; E155-K167 WeakPolarHBondContact OE1-CE 3.47Å; E155-K167 IonicContact OE1-NZ 2.71Å; E155-K167 PolarHBondContact OE1-NZ 3.25Å; E155-K167 VanDerWaalsContact OE1-NZ 3.16Å; E155-K167 WeakPolarHBondContact OE2-CE 3.41Å; E155-K167 IonicContact OE2-NZ 2.79Å; E155-K167 PolarHBondContact OE2-NZ 3.04Å; W159-K167 HydrophobicContact CH2-CD 3.34Å; W159-K167 HydrophobicContact CZ2-CD 4.26Å; W159-K167 HydrophobicContact CZ3-CB 4.4Å; W159-K167 HydrophobicContact CZ3-CD 3.62Å; E163-K167 PolarHBondContact O-N 2.94Å; A164-K167 PolarHBondContact O-N 3.36Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 2.9Å; K167-R169 VanDerWaalsContact C-N 3.28Å; K167-R169 PolarHBondContact O-N 3.37Å; K167-S170 WeakPolarHBondContact O-CA 3.32Å; K167-S170 WeakPolarHBondContact O-CB 3.48Å; K167-S170 PolarHBondContact O-N 3.21Å; K167-S170 VanDerWaalsContact O-N 3.08Å; K167-L171 HydrophobicContact CG-CD1 4.16Å; K167-L171 WeakPolarHBondContact O-CG 3.34Å; K167-L171 PolarHBondContact O-N 3.5Å
168L85.4Confident77.6Confident0 Ų064.8 Ų64.80%038%0.377CS..Hα-helixtrans-59.1-40.7173.5-77.7170.9000111.6V109 L140 M144 M152 A164 I165 S170 L171 M172V109-L168 HydrophobicContact CG1-CB 4.04Å; V109-L168 HydrophobicContact CG1-CD1 4.09Å; V109-L168 HydrophobicContact CG2-CB 4.47Å; L140-L168 HydrophobicContact CD1-CD1 4.29Å; L140-L168 HydrophobicContact CD2-CD1 3.55Å; L140-L168 HydrophobicContact CG-CD1 3.64Å; M144-L168 HydrophobicContact CG-CD2 4.5Å; M152-L168 HydrophobicContact CE-CG 4.1Å; M152-L168 HydrophobicContact CG-CD2 4.39Å; M152-L168 HydrophobicContact SD-CD1 4.1Å; M152-L168 HydrophobicContact SD-CD2 3.47Å; M152-L168 WeakPolarHBondContact SD-CD2 3.19Å; M152-L168 HydrophobicContact SD-CG 3.48Å; M152-L168 WeakPolarHBondContact SD-CG 3.49Å; A164-L168 VanDerWaalsContact O-CB 3.31Å; A164-L168 WeakPolarHBondContact O-CB 3.38Å; A164-L168 VanDerWaalsContact O-CG 3.27Å; A164-L168 WeakPolarHBondContact O-CG 3.39Å; A164-L168 PolarHBondContact O-N 3.3Å; I165-L168 PolarHBondContact O-N 3.41Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 2.86Å; L168-L171 PolarHBondContact O-N 3.14Å; L168-M172 WeakPolarHBondContact O-CB 3.19Å; L168-M172 VanDerWaalsContact O-CG 3.27Å; L168-M172 WeakPolarHBondContact O-CG 3.48Å; L168-M172 PolarHBondContact O-N 3.49Å
169R85.8Confident75.8Confident117 Ų11766.8 Ų66.844%0.44238%0.379SS..Hα-helixtrans-60.6-42.6174.1-171.7-175.3-51.1154.719.3111.5L110 I165 G166 K167 S173L110-R169 VanDerWaalsContact CD2-NH2 3.33Å; I165-R169 WeakPolarHBondContact O-CB 3.42Å; I165-R169 PolarHBondContact O-N 3.11Å; G166-R169 PolarHBondContact O-N 2.8Å; K167-R169 VanDerWaalsContact C-N 3.28Å; K167-R169 PolarHBondContact O-N 3.37Å; R169-S173 WeakPolarHBondContact O-CB 3.17Å; R169-S173 PolarHBondContact O-N 3.05Å; R169-S173 PolarHBondContact O-OG 3.28Å
170S84.6Confident73.7Confident67 Ų6774.5 Ų74.547%0.46942%0.418SS..Hα-helixtrans-61.1-49.8176.6-149.50000110.8G166 K167 L168 M172 S173 F174G166-S170 PolarHBondContact O-N 3.43Å; G166-S170 VanDerWaalsContact O-N 3.12Å; K167-S170 WeakPolarHBondContact O-CA 3.32Å; K167-S170 WeakPolarHBondContact O-CB 3.48Å; K167-S170 PolarHBondContact O-N 3.21Å; K167-S170 VanDerWaalsContact O-N 3.08Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 2.86Å; S170-M172 PolarHBondContact O-N 3.33Å; S170-S173 PolarHBondContact O-N 3.4Å; S170-F174 WeakPolarHBondContact O-CD2 3.44Å; S170-F174 VanDerWaalsContact O-CE2 3.3Å; S170-F174 WeakPolarHBondContact O-CE2 3.36Å
171L82.9Confident71.2Confident36 Ų3675.6 Ų75.619%0.18843%0.43CS..Hα-helixtrans-59.3-48.1177.8-74.1164.4000112.6Y148 H151 M152 K167 L168 S173 F174Y148-L171 HydrophobicContact CD1-CB 3.89Å; Y148-L171 HydrophobicContact CD1-CD1 4.49Å; Y148-L171 HydrophobicContact CE1-CB 4.21Å; H151-L171 HydrophobicContact CB-CD1 4.42Å; H151-L171 HydrophobicContact CB-CD2 4.45Å; M152-L171 HydrophobicContact CG-CD1 4.29Å; K167-L171 HydrophobicContact CG-CD1 4.16Å; K167-L171 WeakPolarHBondContact O-CG 3.34Å; K167-L171 PolarHBondContact O-N 3.5Å; L168-L171 PolarHBondContact O-N 3.14Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 3.18Å; L171-F174 WeakPolarHBondContact O-CB 3.29Å; L171-F174 PolarHBondContact O-N 2.72Å
172M78.9Confident69.1Low49 Ų4980.4 Ų80.424%0.24146%0.462CS..Hα-helixtrans-71.6-23.7-178.3-68.7-178.374.100113.5L103 V109 M144 Y148 L168 S170 F174 D175 S176L103-M172 HydrophobicContact CD2-CE 4.29Å; V109-M172 HydrophobicContact CG2-CE 4.28Å; V109-M172 HydrophobicContact CG2-SD 3.21Å; V109-M172 WeakPolarHBondContact CG2-SD 3.34Å; M144-M172 HydrophobicContact SD-SD 4.31Å; Y148-M172 HydrophobicContact CE1-CG 4.25Å; Y148-M172 HydrophobicContact CE2-CG 4.43Å; L168-M172 WeakPolarHBondContact O-CB 3.19Å; L168-M172 VanDerWaalsContact O-CG 3.27Å; L168-M172 WeakPolarHBondContact O-CG 3.48Å; L168-M172 PolarHBondContact O-N 3.49Å; S170-M172 PolarHBondContact O-N 3.33Å; M172-F174 PolarHBondContact O-N 3.26Å; M172-D175 PolarHBondContact O-N 3.48Å; M172-S176 PolarHBondContact O-N 2.93Å
173S78.3Confident66.8Low79 Ų7978.8 Ų78.855%0.55246%0.461SS*.Hα-helixtrans-64-26.3173.8-61.20000111.7R169 S170 L171R169-S173 WeakPolarHBondContact O-CB 3.17Å; R169-S173 PolarHBondContact O-N 3.05Å; R169-S173 PolarHBondContact O-OG 3.28Å; S170-S173 PolarHBondContact O-N 3.4Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 3.18Å
174F63.9Low64.6Low154 Ų15481.1 Ų81.168%0.67548%0.482SS*.Hα-helixtrans-76.8-32.7174.7-65.7-75.6000113S170 L171 M172S170-F174 WeakPolarHBondContact O-CD2 3.44Å; S170-F174 VanDerWaalsContact O-CE2 3.3Å; S170-F174 WeakPolarHBondContact O-CE2 3.36Å; L171-F174 WeakPolarHBondContact O-CB 3.29Å; L171-F174 PolarHBondContact O-N 2.72Å; M172-F174 PolarHBondContact O-N 3.26Å
175D62.7Low62.4Low69 Ų6984.3 Ų84.337%0.36951%0.508SS..Hα-helixtrans-90.3-23.9-176.5-72-27.8000114.4Y148 M172 A177 G178 E179Y148-D175 WeakPolarHBondContact CE1-OD2 3.5Å; Y148-D175 VanDerWaalsContact OH-CB 3.25Å; Y148-D175 WeakPolarHBondContact OH-CB 3.27Å; Y148-D175 VanDerWaalsContact OH-CG 3.27Å; Y148-D175 PolarHBondContact OH-OD2 2.96Å; M172-D175 PolarHBondContact O-N 3.48Å; D175-A177 PolarHBondContact O-N 2.99Å; D175-A177 VanDerWaalsContact O-N 3.17Å; D175-G178 WeakPolarHBondContact O-CA 3.48Å; D175-G178 PolarHBondContact O-N 3.18Å; D175-E179 PolarHBondContact O-N 2.95Å; D175-E179 VanDerWaalsContact O-N 3.11Å
176S56.3Low60.2Low98 Ų9890.5 Ų90.569%0.68555%0.546SS*.THydrogen-bonded Turntrans-60.9-23.1171-165.90000112.2M172 G178M172-S176 PolarHBondContact O-N 2.93Å; S176-G178 PolarHBondContact O-N 3.31Å
177A48.2Very low58.1Low95 Ų9590.7 Ų90.779%0.78555%0.548SS*.THydrogen-bonded Turntrans-73.6-13.5170.700000113.5D175D175-A177 PolarHBondContact O-N 2.99Å; D175-A177 VanDerWaalsContact O-N 3.17Å
178G45.8Very low56.1Low63 Ų6391.3 Ų91.365%0.64956%0.559SS**THydrogen-bonded Turntrans-112.2-27.8-173.900000116.3D175 S176D175-G178 WeakPolarHBondContact O-CA 3.48Å; D175-G178 PolarHBondContact O-N 3.18Å; S176-G178 PolarHBondContact O-N 3.31Å
179E42.8Very low54.2Low146 Ų14697.1 Ų97.168%0.68259%0.588SS**  trans-136.696.7-167.5-76.3-174.5147.200115.2D175D175-E179 PolarHBondContact O-N 2.95Å; D175-E179 VanDerWaalsContact O-N 3.11Å
180M38.7Very low52.6Low186 Ų18696.1 Ų96.192%0.91660%0.595SS**  trans-12673.3141.9-61.2-163.391.900109
181V35.4Very low51Low118 Ų11895.8 Ų95.872%0.71560%0.596SS**  trans-137.6118.5156.4-176.10000108.2V183V181-V183 PolarHBondContact O-N 3.49Å
182P40.2Very low49.6Very low113 Ų11397.8 Ų97.873%0.73461%0.613SS**  trans-68.5120.1178.127.4-30.5000109.3T184P182-T184 PolarHBondContact O-N 2.77Å
183V38.3Very low48.9Very low102 Ų10298.5 Ų98.562%0.61862%0.621SS**SBendtrans-74.479.7178-175.80000109.6V181 A188V181-V183 PolarHBondContact O-N 3.49Å; V183-A188 HydrophobicContact CG1-CB 4.33Å; V183-A188 HydrophobicContact CG2-CB 4.15Å
184T42.2Very low48.8Very low141 Ų14197.3 Ų97.387%0.86561%0.612SS**  trans-122.255.7144.141.30000108P182P182-T184 PolarHBondContact O-N 2.77Å
185A41.2Very low49.5Very low66 Ų6698.5 Ų98.555%0.54561%0.613SS.*SBendtrans-151.2126.816500000107.8G187A185-G187 PolarHBondContact O-N 3.42Å
186V40.6Very low50.3Low134 Ų134100.6 Ų100.681%0.81262%0.623SS**THydrogen-bonded Turntrans-54.94177.9172.40000113.7
187G42.4Very low51.5Low41 Ų4199.5 Ų99.542%0.42361%0.61SS.*THydrogen-bonded Turntrans-76.8-27177.800000115.9A185 I189 T190A185-G187 PolarHBondContact O-N 3.42Å; G187-I189 VanDerWaalsContact C-N 3.27Å; G187-I189 PolarHBondContact O-N 3.33Å; G187-T190 WeakPolarHBondContact O-CB 3.39Å; G187-T190 PolarHBondContact O-N 3.29Å; G187-T190 PolarHBondContact O-OG1 3.3Å
188A43.9Very low53.3Low44 Ų44100.1 Ų100.136%0.36460%0.598SS.*Hα-helixtrans-67.8-24.5-174.400000113.9V183 T190 A191 S192V183-A188 HydrophobicContact CG1-CB 4.33Å; V183-A188 HydrophobicContact CG2-CB 4.15Å; A188-T190 PolarHBondContact O-N 3.15Å; A188-A191 PolarHBondContact O-N 3.49Å; A188-S192 PolarHBondContact O-N 3.29Å
189I45.1Very low55.2Low122 Ų122101.3 Ų101.363%0.62659%0.589SS**Hα-helixtrans-59.5-34.4174.1-59.6174.1000110.1G187 T193G187-I189 VanDerWaalsContact C-N 3.27Å; G187-I189 PolarHBondContact O-N 3.33Å; I189-T193 PolarHBondContact O-N 2.84Å; I189-T193 PolarHBondContact O-OG1 3.43Å
190T52.5Low57.3Low95 Ų95100 Ų10058%0.58358%0.582SS**Hα-helixtrans-71.6-32.4-177.569.20000113.9G187 A188 T193 S194G187-T190 WeakPolarHBondContact O-CB 3.39Å; G187-T190 PolarHBondContact O-N 3.29Å; G187-T190 PolarHBondContact O-OG1 3.3Å; A188-T190 PolarHBondContact O-N 3.15Å; T190-T193 VanDerWaalsContact C-OG1 3.27Å; T190-T193 WeakPolarHBondContact CA-OG1 3.03Å; T190-T193 PolarHBondContact O-OG1 2.85Å; T190-S194 WeakPolarHBondContact O-CB 3.5Å; T190-S194 PolarHBondContact O-N 3.34Å
191A51Low59.7Low60 Ų6099.8 Ų99.850%0.49657%0.571SS.*Hα-helixtrans-76.5-36.618000000112A188 S194 R195A188-A191 PolarHBondContact O-N 3.49Å; A191-S194 PolarHBondContact O-N 3.2Å; A191-S194 PolarHBondContact O-OG 2.76Å; A191-R195 PolarHBondContact O-N 3.29Å; A191-R195 VanDerWaalsContact O-N 3.16Å
192S53.2Low62.3Low78 Ų78101.2 Ų101.255%0.54557%0.568SS.*Hα-helixtrans-72.5-38.3174-63.30000111.8A188 S194 R195 L196A188-S192 PolarHBondContact O-N 3.29Å; S192-S194 VanDerWaalsContact C-N 3.34Å; S192-S194 PolarHBondContact O-N 2.79Å; S192-R195 PolarHBondContact O-N 3.37Å; S192-L196 WeakPolarHBondContact O-CG 3.22Å; S192-L196 PolarHBondContact O-N 3.41Å
193T63.7Low64.6Low64 Ų64100.9 Ų100.939%0.39356%0.559SS.*Hα-helixtrans-62.7-40.1171420000111.6I189 T190 R195 L196 D197I189-T193 PolarHBondContact O-N 2.84Å; I189-T193 PolarHBondContact O-OG1 3.43Å; T190-T193 VanDerWaalsContact C-OG1 3.27Å; T190-T193 WeakPolarHBondContact CA-OG1 3.03Å; T190-T193 PolarHBondContact O-OG1 2.85Å; T193-R195 VanDerWaalsContact C-N 3.32Å; T193-R195 PolarHBondContact O-N 2.91Å; T193-L196 PolarHBondContact O-N 2.78Å; T193-D197 WeakPolarHBondContact O-CB 3.24Å; T193-D197 PolarHBondContact O-N 3.33Å
194S77Confident67.1Low54 Ų5499.9 Ų99.938%0.37855%0.55SS..Hα-helixtrans-66.1-3517973.30000112.5T190 A191 S192 M198T190-S194 WeakPolarHBondContact O-CB 3.5Å; T190-S194 PolarHBondContact O-N 3.34Å; A191-S194 PolarHBondContact O-N 3.2Å; A191-S194 PolarHBondContact O-OG 2.76Å; S192-S194 VanDerWaalsContact C-N 3.34Å; S192-S194 PolarHBondContact O-N 2.79Å; S194-M198 WeakPolarHBondContact O-CB 3.4Å; S194-M198 VanDerWaalsContact O-CG 3.26Å; S194-M198 WeakPolarHBondContact O-CG 3.31Å; S194-M198 PolarHBondContact O-N 2.87Å
195R78.9Confident69.5Low180 Ų18097 Ų9768%0.67953%0.53SS*.Hα-helixtrans-69.5-40.5174.5-167.4175.4-179.9160.2-1.7112.3A191 S192 T193 M198 L199A191-R195 PolarHBondContact O-N 3.29Å; A191-R195 VanDerWaalsContact O-N 3.16Å; S192-R195 PolarHBondContact O-N 3.37Å; T193-R195 VanDerWaalsContact C-N 3.32Å; T193-R195 PolarHBondContact O-N 2.91Å; R195-M198 HydrophobicContact CB-CE 4.43Å; R195-M198 PolarHBondContact O-N 3.14Å; R195-L199 WeakPolarHBondContact O-CG 3.34Å; R195-L199 PolarHBondContact O-N 3.41Å
196L78.7Confident71.8Confident113 Ų11398.7 Ų98.759%0.59253%0.529SS*.Hα-helixtrans-64-45.5173.3-71.8173.3000111S192 T193 M198 L199 E200S192-L196 WeakPolarHBondContact O-CG 3.22Å; S192-L196 PolarHBondContact O-N 3.41Å; T193-L196 PolarHBondContact O-N 2.78Å; L196-M198 VanDerWaalsContact C-N 3.3Å; L196-M198 PolarHBondContact O-N 3.32Å; L196-L199 PolarHBondContact O-N 3.05Å; L196-L199 VanDerWaalsContact O-N 3.13Å; L196-E200 WeakPolarHBondContact O-CB 3.46Å; L196-E200 PolarHBondContact O-N 3.01Å
197D82Confident74.2Confident75 Ų7596.1 Ų96.140%0.40151%0.513SS..Hα-helixtrans-59.8-39.1175.6-69.4-16.1000111.7T193 R201T193-D197 WeakPolarHBondContact O-CB 3.24Å; T193-D197 PolarHBondContact O-N 3.33Å; D197-R201 WeakPolarHBondContact O-CB 3.49Å; D197-R201 WeakPolarHBondContact O-CG 3.42Å; D197-R201 PolarHBondContact O-N 2.66Å
198M85.5Confident76.4Confident108 Ų108100.8 Ų100.853%0.53252%0.522SS..Hα-helixtrans-67.3-39.4176-78.9-170.7-66.800112.5S194 R195 L196 K202S194-M198 WeakPolarHBondContact O-CB 3.4Å; S194-M198 VanDerWaalsContact O-CG 3.26Å; S194-M198 WeakPolarHBondContact O-CG 3.31Å; S194-M198 PolarHBondContact O-N 2.87Å; R195-M198 HydrophobicContact CB-CE 4.43Å; R195-M198 PolarHBondContact O-N 3.14Å; L196-M198 VanDerWaalsContact C-N 3.3Å; L196-M198 PolarHBondContact O-N 3.32Å; M198-K202 WeakPolarHBondContact O-CG 3.49Å; M198-K202 PolarHBondContact O-N 3.34Å
199L85.8Confident78.3Confident88 Ų88103.2 Ų103.246%0.46153%0.526SS..Hα-helixtrans-70.3-41.4176.4-75.5172.3000111.3R195 L196 K202 I203R195-L199 WeakPolarHBondContact O-CG 3.34Å; R195-L199 PolarHBondContact O-N 3.41Å; L196-L199 PolarHBondContact O-N 3.05Å; L196-L199 VanDerWaalsContact O-N 3.13Å; L199-K202 CarbonylContact O-C 3.29Å; L199-K202 WeakPolarHBondContact O-CB 3.4Å; L199-K202 PolarHBondContact O-N 3.06Å; L199-K202 VanDerWaalsContact O-N 3.13Å; L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.46Å
200E87Confident80.1Confident117 Ų117102.1 Ų102.155%0.54752%0.521SS..Hα-helixtrans-60.4-46.1174.8-170.8171.9-164.100110.6L196 K202 I203 D204L196-E200 WeakPolarHBondContact O-CB 3.46Å; L196-E200 PolarHBondContact O-N 3.01Å; E200-K202 VanDerWaalsContact C-N 3.3Å; E200-K202 PolarHBondContact O-N 2.96Å; E200-I203 PolarHBondContact O-N 3.06Å; E200-I203 VanDerWaalsContact O-N 3.14Å; E200-D204 WeakPolarHBondContact O-CB 3.44Å; E200-D204 PolarHBondContact O-N 2.95Å
201R88.6Confident81.4Confident183 Ų18399.7 Ų99.769%0.69151%0.51SS*.Hα-helixtrans-59.2-38.7172.6-74.7176.3-167-175.16.4113D197 D205D197-R201 WeakPolarHBondContact O-CB 3.49Å; D197-R201 WeakPolarHBondContact O-CG 3.42Å; D197-R201 PolarHBondContact O-N 2.66Å; R201-D205 VanDerWaalsContact O-CB 3.26Å; R201-D205 WeakPolarHBondContact O-CB 3.5Å; R201-D205 PolarHBondContact O-N 2.95Å
202K89.5Confident82.9Confident147 Ų14799.3 Ų99.364%0.63950%0.504SS*.Hα-helixtrans-69-38.5175.9-79.7-178.6177.6-176.50111.9M198 L199 E200 D205 L206M198-K202 WeakPolarHBondContact O-CG 3.49Å; M198-K202 PolarHBondContact O-N 3.34Å; L199-K202 CarbonylContact O-C 3.29Å; L199-K202 WeakPolarHBondContact O-CB 3.4Å; L199-K202 PolarHBondContact O-N 3.06Å; L199-K202 VanDerWaalsContact O-N 3.13Å; E200-K202 VanDerWaalsContact C-N 3.3Å; E200-K202 PolarHBondContact O-N 2.96Å; K202-D205 PolarHBondContact O-N 3.39Å; K202-L206 VanDerWaalsContact O-CB 3.29Å; K202-L206 WeakPolarHBondContact O-CB 3.44Å; K202-L206 PolarHBondContact O-N 2.84Å
203I90.4Very high84Confident107 Ų107102.1 Ų102.155%0.54951%0.51SS..Hα-helixtrans-64.7-45175.1-70.8165.5000109.6L199 E200 L206 T207L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.46Å; E200-I203 PolarHBondContact O-N 3.06Å; E200-I203 VanDerWaalsContact O-N 3.14Å; I203-L206 PolarHBondContact O-N 3Å; I203-T207 VanDerWaalsContact O-CB 3.26Å; I203-T207 WeakPolarHBondContact O-CB 3.43Å; I203-T207 PolarHBondContact O-N 2.87Å; I203-T207 PolarHBondContact O-OG1 2.88Å
204D90.7Very high84.3Confident80 Ų80106.2 Ų106.243%0.42853%0.529SS..Hα-helixtrans-62.2-43.1175.5-82.6-11.9000112.1E200 T207 K208E200-D204 WeakPolarHBondContact O-CB 3.44Å; E200-D204 PolarHBondContact O-N 2.95Å; D204-T207 PolarHBondContact O-N 3.36Å; D204-K208 WeakPolarHBondContact O-CB 3.31Å; D204-K208 VanDerWaalsContact O-CG 3.25Å; D204-K208 WeakPolarHBondContact O-CG 3.42Å; D204-K208 PolarHBondContact O-N 2.92Å
205D91.7Very high83.7Confident82 Ų82111.7 Ų111.744%0.43955%0.548SS..Hα-helixtrans-63.4-46176-172.169.8000111.2R201 K202 T207 K208 Q209R201-D205 VanDerWaalsContact O-CB 3.26Å; R201-D205 WeakPolarHBondContact O-CB 3.5Å; R201-D205 PolarHBondContact O-N 2.95Å; K202-D205 PolarHBondContact O-N 3.39Å; D205-T207 VanDerWaalsContact C-N 3.3Å; D205-T207 PolarHBondContact O-N 3.35Å; D205-K208 CarbonylContact O-C 3.58Å; D205-K208 WeakPolarHBondContact O-CB 3.25Å; D205-K208 PolarHBondContact O-N 3.16Å; D205-Q209 WeakPolarHBondContact O-CG 3.4Å; D205-Q209 PolarHBondContact O-N 3.09Å; D205-Q209 PolarHBondContact OD2-NE2 2.92Å
206L90Very high82.6Confident101 Ų101110.5 Ų110.553%0.52955%0.551SS.*Hα-helixtrans-63.3-39.2176.6-149.281.2000111.4K202 I203 K208 Q209 L210K202-L206 VanDerWaalsContact O-CB 3.29Å; K202-L206 WeakPolarHBondContact O-CB 3.44Å; K202-L206 PolarHBondContact O-N 2.84Å; I203-L206 PolarHBondContact O-N 3Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-Q209 WeakPolarHBondContact O-CB 3.32Å; L206-Q209 PolarHBondContact O-N 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.36Å; L206-L210 PolarHBondContact O-N 2.87Å
207T90.5Very high81.1Confident79 Ų79115.3 Ų115.349%0.48556%0.561SS.*Hα-helixtrans-65.3-39.8176.4-56.30000110.8I203 D204 D205 L210 A211I203-T207 VanDerWaalsContact O-CB 3.26Å; I203-T207 WeakPolarHBondContact O-CB 3.43Å; I203-T207 PolarHBondContact O-N 2.87Å; I203-T207 PolarHBondContact O-OG1 2.88Å; D204-T207 PolarHBondContact O-N 3.36Å; D205-T207 VanDerWaalsContact C-N 3.3Å; D205-T207 PolarHBondContact O-N 3.35Å; T207-L210 PolarHBondContact O-N 2.71Å; T207-A211 WeakPolarHBondContact O-CB 3.33Å; T207-A211 PolarHBondContact O-N 2.92Å
208K89Confident79.2Confident139 Ų139119.8 Ų119.860%0.60458%0.584SS**Hα-helixtrans-65.7-40.8172-75166.2-175.6165.70111.8D204 D205 L206 A211 S212D204-K208 WeakPolarHBondContact O-CB 3.31Å; D204-K208 VanDerWaalsContact O-CG 3.25Å; D204-K208 WeakPolarHBondContact O-CG 3.42Å; D204-K208 PolarHBondContact O-N 2.92Å; D205-K208 CarbonylContact O-C 3.58Å; D205-K208 WeakPolarHBondContact O-CB 3.25Å; D205-K208 PolarHBondContact O-N 3.16Å; L206-K208 VanDerWaalsContact C-N 3.34Å; K208-A211 PolarHBondContact O-N 2.63Å; K208-S212 WeakPolarHBondContact O-CB 3.07Å; K208-S212 PolarHBondContact O-N 2.91Å; K208-S212 PolarHBondContact O-OG 3.47Å
209Q84.5Confident77.3Confident95 Ų95119.7 Ų119.744%0.44459%0.591SS.*Hα-helixtrans-60.3-47.5174.6-72.2-179.526.100110.3D205 L206 A211 S212 M213D205-Q209 WeakPolarHBondContact O-CG 3.4Å; D205-Q209 PolarHBondContact O-N 3.09Å; D205-Q209 PolarHBondContact OD2-NE2 2.92Å; L206-Q209 WeakPolarHBondContact O-CB 3.32Å; L206-Q209 PolarHBondContact O-N 3.29Å; Q209-A211 PolarHBondContact O-N 2.86Å; Q209-S212 WeakPolarHBondContact CA-OG 3.23Å; Q209-S212 PolarHBondContact O-N 3.28Å; Q209-S212 PolarHBondContact O-OG 2.99Å; Q209-M213 WeakPolarHBondContact O-CG 3.35Å; Q209-M213 PolarHBondContact O-N 3.35Å
210L81.2Confident75.6Confident99 Ų99120.3 Ų120.352%0.51860%0.603SS.*Hα-helixtrans-60.2-42.9175.1-71.1172.8000112.3L206 T207 S212 M213 L214L206-L210 WeakPolarHBondContact O-CG 3.36Å; L206-L210 PolarHBondContact O-N 2.87Å; T207-L210 PolarHBondContact O-N 2.71Å; L210-S212 VanDerWaalsContact C-N 3.34Å; L210-S212 PolarHBondContact O-N 3.38Å; L210-M213 PolarHBondContact O-N 3.06Å; L210-L214 WeakPolarHBondContact O-CG 3.18Å; L210-L214 PolarHBondContact O-N 3.45Å
211A81.7Confident73.6Confident45 Ų45121.3 Ų121.337%0.37261%0.612SS.*Hα-helixtrans-63.6-40.1175.700000112T207 K208 Q209 L214 Q215T207-A211 WeakPolarHBondContact O-CB 3.33Å; T207-A211 PolarHBondContact O-N 2.92Å; K208-A211 PolarHBondContact O-N 2.63Å; Q209-A211 PolarHBondContact O-N 2.86Å; A211-L214 PolarHBondContact O-N 3.35Å; A211-Q215 WeakPolarHBondContact O-CG 3.47Å; A211-Q215 PolarHBondContact O-N 3.28Å
212S81.1Confident71.9Confident52 Ų52121.3 Ų121.336%0.36462%0.617SS.*Hα-helixtrans-67.7-35.5176.377.20000112.2K208 Q209 L210 Q215 Q216K208-S212 WeakPolarHBondContact O-CB 3.07Å; K208-S212 PolarHBondContact O-N 2.91Å; K208-S212 PolarHBondContact O-OG 3.47Å; Q209-S212 WeakPolarHBondContact CA-OG 3.23Å; Q209-S212 PolarHBondContact O-N 3.28Å; Q209-S212 PolarHBondContact O-OG 2.99Å; L210-S212 VanDerWaalsContact C-N 3.34Å; L210-S212 PolarHBondContact O-N 3.38Å; S212-Q215 PolarHBondContact O-N 2.9Å; S212-Q216 WeakPolarHBondContact O-CB 3.45Å; S212-Q216 WeakPolarHBondContact O-CG 3.39Å; S212-Q216 PolarHBondContact O-N 3.27Å
213M76.6Confident70.2Confident136 Ų136122.9 Ų122.967%0.6762%0.619SS**Hα-helixtrans-66.7-38.9173.2-73.3-176.178.500111.8Q209 L210 Q215 Q216Q209-M213 WeakPolarHBondContact O-CG 3.35Å; Q209-M213 PolarHBondContact O-N 3.35Å; L210-M213 PolarHBondContact O-N 3.06Å; M213-Q215 VanDerWaalsContact C-N 3.33Å; M213-Q216 PolarHBondContact O-N 3.33Å
214L71Confident69Low151 Ų151120.5 Ų120.579%0.79162%0.616SS**Hα-helixtrans-68-32175.1-75165.9000112.6L210 A211L210-L214 WeakPolarHBondContact O-CG 3.18Å; L210-L214 PolarHBondContact O-N 3.45Å; A211-L214 PolarHBondContact O-N 3.35Å
215Q63.5Low67.9Low168 Ų168117.1 Ų117.179%0.78560%0.599SS**Hα-helixtrans-79.7-27.8175.8-72.9178.71.200112.8A211 S212 M213 R217A211-Q215 WeakPolarHBondContact O-CG 3.47Å; A211-Q215 PolarHBondContact O-N 3.28Å; S212-Q215 PolarHBondContact O-N 2.9Å; M213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R217 PolarHBondContact O-N 3.42Å
216Q55.6Low67.2Low155 Ų155113.2 Ų113.272%0.72458%0.579SS**SBendtrans-81.181.4174.4-72.2-169.83.600111.5S212 M213S212-Q216 WeakPolarHBondContact O-CB 3.45Å; S212-Q216 WeakPolarHBondContact O-CG 3.39Å; S212-Q216 PolarHBondContact O-N 3.27Å; M213-Q216 PolarHBondContact O-N 3.33Å
217R46.4Very low66.5Low215 Ų215115.1 Ų115.181%0.81158%0.583SS**  trans65.592.8152.8-60.1-175.8175.6174.60.1116.2Q215Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R217 PolarHBondContact O-N 3.42Å
218L43.4Very low65.8Low168 Ų168115.3 Ų115.388%0.8858%0.584SS**  -77.9112.9112.2-77.5126.9000106.3S220L218-S220 VanDerWaalsContact C-N 3.31Å; L218-S220 PolarHBondContact O-N 3.37Å
219P46.2Very low65.5Low106 Ų106110.6 Ų110.669%0.68857%0.568SS**  trans-59.2106.5165.924.6-27.8000105.7N221P219-N221 PolarHBondContact O-N 2.89Å
220S48.1Very low65.2Low102 Ų102109.2 Ų109.271%0.71358%0.579SS**  trans-62.288.9164.1-172.40000104.3L218 K222L218-S220 VanDerWaalsContact C-N 3.31Å; L218-S220 PolarHBondContact O-N 3.37Å; S220-K222 PolarHBondContact O-N 3.46Å
221N46.3Very low65Low137 Ų137106.5 Ų106.573%0.73357%0.568SS**  trans-57.295167.6-166.33.7000102.9P219 R223P219-N221 PolarHBondContact O-N 2.89Å; N221-R223 PolarHBondContact O-N 2.83Å
222K53.2Low65Low183 Ų183109.4 Ų109.480%0.79658%0.581SS**  trans-64.481.4178.5-77.5-179.8180176.70104.7S220 A224S220-K222 PolarHBondContact O-N 3.46Å; K222-A224 VanDerWaalsContact C-N 3.33Å; K222-A224 PolarHBondContact O-N 2.82Å
223R53.4Low65Low181 Ų181114.9 Ų114.968%0.68360%0.601SS**  trans8.880.1163.3-66.8167.5171.6-177.4-0.7110N221 G225 F227N221-R223 PolarHBondContact O-N 2.83Å; R223-G225 PolarHBondContact O-N 2.89Å; R223-F227 HydrophobicContact CB-CD1 4.49Å; R223-F227 HydrophobicContact CB-CE1 3.68Å; R223-F227 HydrophobicContact CB-CZ 3.72Å; R223-F227 HydrophobicContact CG-CE1 4.13Å
224A65.2Low65.3Low57 Ų57110.2 Ų110.247%0.47158%0.578SS.*  trans-73.951.7176.100000109.5K222 V232K222-A224 VanDerWaalsContact C-N 3.33Å; K222-A224 PolarHBondContact O-N 2.82Å; A224-V232 WeakPolarHBondContact O-CA 3.29Å; A224-V232 VanDerWaalsContact O-CB 3.31Å; A224-V232 WeakPolarHBondContact O-CB 3.25Å; A224-V232 WeakPolarHBondContact O-CG1 3.3Å
225G67.8Low65.9Low8 Ų8109.8 Ų109.88%0.08257%0.569CS.*SBendtrans-167.3156.7-172.800000112.7R223 F227 S231R223-G225 PolarHBondContact O-N 2.89Å; G225-F227 PolarHBondContact O-N 3.07Å; G225-F227 VanDerWaalsContact O-N 3.14Å; G225-S231 CarbonylContact C-O 3.58Å; G225-S231 VanDerWaalsContact C-O 3.29Å; G225-S231 WeakPolarHBondContact CA-O 3.27Å
226C77.8Confident66.5Low1 Ų1103.5 Ų103.51%0.00755%0.546CS..  trans-54111.2179.7179.80000111.7V228 C229 G230 S231 H234 C239C226-V228 PolarHBondContact O-N 2.99Å; C226-V228 VanDerWaalsContact O-N 3.11Å; C226-V228 PolarHBondContact SG-N 3.47Å; C226-V228 VanDerWaalsContact SG-N 3.44Å; C226-C229 VanDerWaalsContact CB-SG 3.55Å; C226-C229 PolarHBondContact O-N 3.34Å; C226-C229 PolarHBondContact SG-N 2.74Å; C226-C229 PolarHBondContact SG-SG 3.18Å; C226-G230 VanDerWaalsContact O-CA 3.24Å; C226-G230 WeakPolarHBondContact O-CA 3.44Å; C226-G230 PolarHBondContact O-N 3.13Å; C226-S231 WeakPolarHBondContact CB-O 3.48Å; C226-S231 PolarHBondContact N-O 3.3Å; C226-H234 WeakPolarHBondContact CA-O 3.43Å; C226-H234 WeakPolarHBondContact CB-NE2 3.3Å; C226-H234 VanDerWaalsContact CB-O 3.29Å; C226-H234 WeakPolarHBondContact CB-O 3.31Å; C226-H234 PolarHBondContact N-O 2.75Å; C226-H234 PolarHBondContact SG-NE2 2.85Å; C226-H234 VanDerWaalsContact SG-NE2 3.42Å; C226-C239 WeakPolarHBondContact SG-CB 3.37Å; C226-C239 PolarHBondContact SG-SG 2.84Å
227F74.4Confident67.3Low140 Ų140107.7 Ų107.761%0.61456%0.555SS**THydrogen-bonded Turntrans-63.9-13.4174.3-62-92000114.2R223 G225 A236R223-F227 HydrophobicContact CB-CD1 4.49Å; R223-F227 HydrophobicContact CB-CE1 3.68Å; R223-F227 HydrophobicContact CB-CZ 3.72Å; R223-F227 HydrophobicContact CG-CE1 4.13Å; G225-F227 PolarHBondContact O-N 3.07Å; G225-F227 VanDerWaalsContact O-N 3.14Å; F227-A236 HydrophobicContact CD2-CB 4.44Å
228V76.5Confident69Low84 Ų84101.8 Ų101.851%0.50955%0.547SS..THydrogen-bonded Turntrans-88.4-32.9-178.7-179.70000111.8C226 A236 C239C226-V228 PolarHBondContact O-N 2.99Å; C226-V228 VanDerWaalsContact O-N 3.11Å; C226-V228 PolarHBondContact SG-N 3.47Å; C226-V228 VanDerWaalsContact SG-N 3.44Å; V228-A236 HydrophobicContact CG2-CB 4.1Å; V228-C239 HydrophobicContact CB-CB 4.38Å
229C80.9Confident70.8Confident39 Ų3994.2 Ų94.226%0.26451%0.508SS..THydrogen-bonded Turntrans-125.8-8.6-178.173.10000115C226 S231 H234C226-C229 VanDerWaalsContact CB-SG 3.55Å; C226-C229 PolarHBondContact O-N 3.34Å; C226-C229 PolarHBondContact SG-N 2.74Å; C226-C229 PolarHBondContact SG-SG 3.18Å; C229-S231 VanDerWaalsContact C-N 3.31Å; C229-S231 PolarHBondContact O-N 3.12Å; C229-S231 VanDerWaalsContact SG-CB 3.51Å; C229-S231 PolarHBondContact SG-N 2.91Å; C229-H234 VanDerWaalsContact SG-CE1 3.5Å; C229-H234 PolarHBondContact SG-NE2 3.22Å; C229-H234 VanDerWaalsContact SG-NE2 3.37Å
230G78.1Confident72.5Confident66 Ų6694.7 Ų94.768%0.6851%0.511SS*.  trans80.7-1.9-177.900000115.5C226C226-G230 VanDerWaalsContact O-CA 3.24Å; C226-G230 WeakPolarHBondContact O-CA 3.44Å; C226-G230 PolarHBondContact O-N 3.13Å
231S78.1Confident73.9Confident42 Ų4298.7 Ų98.729%0.29451%0.511SS..  trans-74.9142.8-179.7179.40000112.2G225 C226 C229 E233G225-S231 CarbonylContact C-O 3.58Å; G225-S231 VanDerWaalsContact C-O 3.29Å; G225-S231 WeakPolarHBondContact CA-O 3.27Å; C226-S231 WeakPolarHBondContact CB-O 3.48Å; C226-S231 PolarHBondContact N-O 3.3Å; C229-S231 VanDerWaalsContact C-N 3.31Å; C229-S231 PolarHBondContact O-N 3.12Å; C229-S231 VanDerWaalsContact SG-CB 3.51Å; C229-S231 PolarHBondContact SG-N 2.91Å; S231-E233 PolarHBondContact OG-N 3.25Å
232V82.4Confident74.9Confident106 Ų10694.5 Ų94.564%0.64250%0.495SS*.SBendtrans-89.9-7.3176.8-64.40000114.3A224 H234A224-V232 WeakPolarHBondContact O-CA 3.29Å; A224-V232 VanDerWaalsContact O-CB 3.31Å; A224-V232 WeakPolarHBondContact O-CB 3.25Å; A224-V232 WeakPolarHBondContact O-CG1 3.3Å; V232-H234 VanDerWaalsContact C-N 3.29Å; V232-H234 PolarHBondContact O-N 3.21Å
233E80.5Confident75.2Confident167 Ų16795 Ų9578%0.7850%0.5SS*.SBendtrans-75.1-16.2-177.4-68.5-61.8124.300113.7S231S231-E233 PolarHBondContact OG-N 3.25Å
234H83.1Confident75.2Confident39 Ų3997.8 Ų97.818%0.18151%0.511CS..SBendtrans-153162-178.661.4-83.2000111.4C226 C229 V232 C239C226-H234 WeakPolarHBondContact CA-O 3.43Å; C226-H234 WeakPolarHBondContact CB-NE2 3.3Å; C226-H234 VanDerWaalsContact CB-O 3.29Å; C226-H234 WeakPolarHBondContact CB-O 3.31Å; C226-H234 PolarHBondContact N-O 2.75Å; C226-H234 PolarHBondContact SG-NE2 2.85Å; C226-H234 VanDerWaalsContact SG-NE2 3.42Å; C229-H234 VanDerWaalsContact SG-CE1 3.5Å; C229-H234 PolarHBondContact SG-NE2 3.22Å; C229-H234 VanDerWaalsContact SG-NE2 3.37Å; V232-H234 VanDerWaalsContact C-N 3.29Å; V232-H234 PolarHBondContact O-N 3.21Å; H234-C239 VanDerWaalsContact CD2-CA 3.49Å; H234-C239 WeakPolarHBondContact CD2-CA 3.28Å
235F83.3Confident74.3Confident141 Ų141106.5 Ų106.562%0.61853%0.531SS*.  trans-90.9161.2173.6-64.2-74.6000111.7R237 S238F235-R237 PolarHBondContact O-N 3.34Å; F235-S238 PolarHBondContact O-N 3.3Å
236A76.4Confident72.9Confident36 Ų36109.2 Ų109.230%0.29856%0.559SS.*G310 helixtrans-51.8-27.2-176.800000114.5F227 V228 C239F227-A236 HydrophobicContact CD2-CB 4.44Å; V228-A236 HydrophobicContact CG2-CB 4.1Å; A236-C239 WeakPolarHBondContact O-CB 3.47Å
237R71.6Confident70.9Confident244 Ų244121 Ų12192%0.92160%0.603SS**G310 helixtrans-70.5-26.8177.5-64.2-177.5179-125.81.2114F235F235-R237 PolarHBondContact O-N 3.34Å
238S82Confident69.2Low91 Ų91120 Ų12064%0.63661%0.614SS**G310 helixtrans-108.420.6-178-530000111.6F235 P240F235-S238 PolarHBondContact O-N 3.3Å; S238-P240 VanDerWaalsContact O-CD 3.3Å; S238-P240 WeakPolarHBondContact O-CD 3.28Å
239C82.5Confident67.4Low9 Ų9120.1 Ų120.16%0.06162%0.624CS.*  trans-76.8116.9-174.1-176.30000111.3C226 V228 H234 A236 R241 A242C226-C239 WeakPolarHBondContact SG-CB 3.37Å; C226-C239 PolarHBondContact SG-SG 2.84Å; V228-C239 HydrophobicContact CB-CB 4.38Å; H234-C239 VanDerWaalsContact CD2-CA 3.49Å; H234-C239 WeakPolarHBondContact CD2-CA 3.28Å; A236-C239 WeakPolarHBondContact O-CB 3.47Å; C239-R241 PolarHBondContact O-N 3.08Å; C239-R241 PolarHBondContact SG-N 3.01Å; C239-A242 HydrophobicContact CB-CB 4.23Å; C239-A242 VanDerWaalsContact O-CB 3.23Å; C239-A242 WeakPolarHBondContact O-CB 3.14Å; C239-A242 PolarHBondContact O-N 3.29Å
240P82.3Confident65.3Low116 Ų116129.3 Ų129.375%0.75365%0.653SS**THydrogen-bonded Turntrans-66-11.7177.827.3-34.1000112.9S238S238-P240 VanDerWaalsContact O-CD 3.3Å; S238-P240 WeakPolarHBondContact O-CD 3.28Å
241R76.1Confident63Low186 Ų186136.5 Ų136.570%0.70266%0.661SS**THydrogen-bonded Turntrans-91.61174-68.3-176.4178.9166.60.6114.1C239 E243C239-R241 PolarHBondContact O-N 3.08Å; C239-R241 PolarHBondContact SG-N 3.01Å; R241-E243 PolarHBondContact O-N 3.26Å
242A67.5Low60.8Low48 Ų48145.2 Ų145.240%0.39769%0.687SS.*G310 helixtrans-69.1-30.5-170.400000114.8C239 R244C239-A242 HydrophobicContact CB-CB 4.23Å; C239-A242 VanDerWaalsContact O-CB 3.23Å; C239-A242 WeakPolarHBondContact O-CB 3.14Å; C239-A242 PolarHBondContact O-N 3.29Å; A242-R244 PolarHBondContact O-N 3.14Å
243E59.1Low58.7Low194 Ų194145.4 Ų145.491%0.90769%0.694SS**G310 helixtrans-70.4-4.9-170.5-84.8-179.2162.400115.8R241R241-E243 PolarHBondContact O-N 3.26Å
244R53.9Low56.4Low240 Ų240147.7 Ų147.791%0.90670%0.695SS**G310 helixtrans-88.50.9179-68.7-159.7-171.1-169.24.3115.8A242A242-R244 PolarHBondContact O-N 3.14Å
245R45.9Very low54.1Low239 Ų239153 Ų15390%0.90272%0.72SS**  trans-116.966.4176-70.9-169.9179.5-173.11.1112
246G38.1Very low52.1Low65 Ų65154.9 Ų154.967%0.6774%0.735SS**  trans-60.5141.8154.300000110.9
247R37Very low50.5Low248 Ų248164.3 Ų164.394%0.93678%0.781SS**  trans51.9109162.7-67.3-179.3-168.5-168.22.8116.9
248S38.2Very low49.4Very low120 Ų120160.3 Ų160.384%0.83977%0.774SS**  151.4105.5119.5-167.10000110.2
249A38.9Very low47.7Very low86 Ų86163.9 Ų163.971%0.71178%0.781SS**  trans172.792.1143.500000108.2
250R35.7Very low45.8Very low233 Ų233172.6 Ų172.688%0.87982%0.821SS**  69.399.8112.8-69.2173.3-178.8177.70.1112.3
251Y31.1Very low43.6Very low216 Ų216175.9 Ų175.985%0.84783%0.825SS**  42.889.577.3-156.9-87.7000112.2
252R32.5Very low41.6Very low225 Ų225175.3 Ų175.385%0.84983%0.833SS**  trans168.7117.2134.2-105178.2171.7174.3-2110.4
253S36.9Very low39.9Very low111 Ų111183.7 Ų183.778%0.77686%0.862SS**  trans152.9102.6132.244.30000106.6
254R32.1Very low38.5Very low215 Ų215183 Ų18381%0.81186%0.859SS**  105.9121.766.9-109.8-171.2169.4174.1-4.6107.4
255Q34.5Very low37.3Very low151 Ų151178.6 Ų178.671%0.70686%0.855SS**  trans59.6114.2139-68174.3-32.400117.6
256L41.2Very low36.6Very low179 Ų179173.6 Ų173.694%0.93785%0.851SS**  -139.1134.6120.4-89158.2000106.5
257N42.9Very low36.4Very low234 Ų234183.5 Ų183.5100%1.25187%0.868SS**  trans-52.50-177.2-74.2-27.4000113.4

Retrieved 257 of 257 residues in 387.6 ms (Link to these results)

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