A0A077ZLI0_TRITR Loading...

Zf-CCHC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 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
1M56Low53.1Low225 Ų225157.1 Ų157.1100%1.10887%0.867SS**  078.90-71.3-75.9-177.800104.8
2D51.2Low52.3Low166 Ų166163.8 Ų163.889%0.88887%0.87SS**  trans-91114.4-175.5-58.6-59.5000108
3T59.6Low51.8Low136 Ų136165.7 Ų165.783%0.83487%0.87SS**  trans-120.6104.2174.6-15.40000107.9T5T3-T5 PolarHBondContact O-N 3.39Å
4S60.1Low51.5Low119 Ų119162.1 Ų162.183%0.83286%0.859SS**  trans-59.1125.3177.3-57.10000111.5E6S4-E6 PolarHBondContact O-N 3.27Å
5T59.9Low51.3Low143 Ų143162 Ų16288%0.87786%0.859SS**  trans-72.5111168.532.90000110.7T3T3-T5 PolarHBondContact O-N 3.39Å
6E49.8Very low51.7Low190 Ų190156.5 Ų156.589%0.88884%0.843SS**  trans-78111.3165.4-124.3172.3110.200109S4 K8S4-E6 PolarHBondContact O-N 3.27Å; E6-K8 PolarHBondContact O-N 2.91Å
7A52.4Low52.5Low103 Ų103153.2 Ų153.285%0.85184%0.835SS**  trans-75.599.6173.400000109.7N9A7-N9 PolarHBondContact O-N 3.4Å
8K51.4Low53.3Low201 Ų201148.5 Ų148.587%0.87481%0.809SS**  trans-69.7115165.8-98.6176.3172.2176.10109.3E6 E10E6-K8 PolarHBondContact O-N 2.91Å; K8-E10 PolarHBondContact O-N 2.84Å
9N47.2Very low54.6Low163 Ų163143.7 Ų143.787%0.87278%0.782SS**  trans-72.9103.9171.5-15817.1000108.5A7A7-N9 PolarHBondContact O-N 3.4Å
10E48.2Very low55.7Low174 Ų174139 Ų13981%0.81376%0.758SS**  trans-70.3132.8172.7-93.9-167.8108.100110.5K8 R12K8-E10 PolarHBondContact O-N 2.84Å; E10-R12 PolarHBondContact O-N 3.19Å
11P48.1Very low56.9Low108 Ų108141.6 Ų141.670%0.70176%0.757SS**  trans-69.7127.4171.530-30.8000108.7Q13P11-Q13 PolarHBondContact O-N 3.36Å
12R43.5Very low58.2Low238 Ų238134.4 Ų134.490%0.89872%0.722SS**  trans-56.796.8170.5-75.7178.9167.6-156.7-3.5109.7E10 T14E10-R12 PolarHBondContact O-N 3.19Å; R12-T14 VanDerWaalsContact C-N 3.27Å; R12-T14 PolarHBondContact O-N 3.34Å
13Q46.3Very low59.8Low188 Ų188126.6 Ų126.688%0.87968%0.681SS**  trans-68.790.3161.2-76.2-179.9-7.900107.4P11 D15P11-Q13 PolarHBondContact O-N 3.36Å; Q13-D15 PolarHBondContact O-N 3.49Å
14T47Very low61.1Low115 Ų115121.9 Ų121.971%0.70665%0.652SS**  trans-71115.1161.246.80000106.8R12 A16R12-T14 VanDerWaalsContact C-N 3.27Å; R12-T14 PolarHBondContact O-N 3.34Å; T14-A16 PolarHBondContact O-N 3.32Å
15D49.4Very low62.6Low161 Ų161122.1 Ų122.186%0.86164%0.64SS**  trans-43.2101.7169.8-89.9-34.9000109.6Q13 S17Q13-D15 PolarHBondContact O-N 3.49Å; D15-S17 PolarHBondContact O-N 2.85Å
16A57.6Low64.2Low74 Ų74115.6 Ų115.661%0.61260%0.599SS**  trans-8449.9-168.900000110.8T14 L18T14-A16 PolarHBondContact O-N 3.32Å; A16-L18 PolarHBondContact O-N 2.92Å
17S65.5Low66.2Low100 Ų100110 Ų11070%0.69958%0.576SS**  trans-66.6118.1166.467.60000107.8D15 D19D15-S17 PolarHBondContact O-N 2.85Å; S17-D19 PolarHBondContact O-N 3.38Å; S17-D19 VanDerWaalsContact O-N 3.09Å
18L67.4Low67.9Low69 Ų69106 Ų10636%0.36154%0.544SS..  trans-69108.6177-79.7159.7000110.4A16 V20 R48 I50 V56A16-L18 PolarHBondContact O-N 2.92Å; L18-V20 HydrophobicContact CB-CG2 4.41Å; L18-V20 PolarHBondContact O-N 3.37Å; L18-R48 HydrophobicContact CD2-CB 3.98Å; L18-R48 HydrophobicContact CD2-CG 4.3Å; L18-I50 HydrophobicContact CD1-CD1 3.44Å; L18-I50 VanDerWaalsContact CD1-CD1 3.44Å; L18-I50 HydrophobicContact CD1-CG1 3.71Å; L18-I50 HydrophobicContact CD1-CG2 4.22Å; L18-I50 HydrophobicContact CD2-CD1 2.99Å; L18-I50 HydrophobicContact CD2-CG1 3.44Å; L18-I50 VanDerWaalsContact CD2-CG1 3.44Å; L18-I50 HydrophobicContact CG-CD1 3.74Å; L18-I50 HydrophobicContact CG-CG1 3.95Å; L18-V56 HydrophobicContact CD1-CG2 4.45Å
19D77.6Confident69.4Low57 Ų5798.1 Ų98.131%0.30551%0.514SS..  trans-7387.4161.9-167.6-5.3000108.5S17 R21 L22S17-D19 PolarHBondContact O-N 3.38Å; S17-D19 VanDerWaalsContact O-N 3.09Å; D19-R21 PolarHBondContact O-N 3.45Å; D19-R21 VanDerWaalsContact OD1-CB 3.28Å; D19-R21 WeakPolarHBondContact OD1-CB 3.2Å; D19-R21 WeakPolarHBondContact OD1-CG 3.37Å; D19-R21 IonicContact OD1-CZ 2.71Å; D19-R21 PolarHBondContact OD1-N 3.37Å; D19-R21 IonicContact OD1-NE 2.92Å; D19-R21 PolarHBondContact OD1-NE 3.35Å; D19-R21 IonicContact OD1-NH2 3.61Å; D19-R21 IonicContact OD2-CZ 3.42Å; D19-R21 IonicContact OD2-NE 3.68Å; D19-R21 PolarHBondContact OD2-NE 3.18Å; D19-R21 IonicContact OD2-NH2 2.67Å; D19-R21 PolarHBondContact OD2-NH2 3.23Å; D19-L22 HydrophobicContact CB-CD1 3.95Å; D19-L22 HydrophobicContact CB-CG 4.28Å; D19-L22 WeakPolarHBondContact O-CB 3.3Å; D19-L22 WeakPolarHBondContact O-CD1 3.44Å; D19-L22 WeakPolarHBondContact O-CG 3.33Å; D19-L22 PolarHBondContact O-N 3.43Å
20V75.2Confident70.4Confident50 Ų5095.9 Ų95.930%0.30351%0.512SS..G310 helixtrans-51.1-24.3179.9175.80000111.7L18 L22 I23 L59 R60L18-V20 HydrophobicContact CB-CG2 4.41Å; L18-V20 PolarHBondContact O-N 3.37Å; V20-L22 PolarHBondContact O-N 2.75Å; V20-I23 PolarHBondContact O-N 2.88Å; V20-L59 HydrophobicContact CG1-CB 4.26Å; V20-L59 HydrophobicContact CG2-CD1 4.41Å; V20-R60 HydrophobicContact CG1-CG 4.11Å; V20-R60 WeakPolarHBondContact O-CD 3.29Å; V20-R60 PolarHBondContact O-NE 3.13Å
21R81.4Confident71.7Confident194 Ų19494.5 Ų94.573%0.73251%0.51SS*.G310 helixtrans-66.9-14.8179-57.8177.6-64.4177.94114.2D19 I23D19-R21 PolarHBondContact O-N 3.45Å; D19-R21 VanDerWaalsContact OD1-CB 3.28Å; D19-R21 WeakPolarHBondContact OD1-CB 3.2Å; D19-R21 WeakPolarHBondContact OD1-CG 3.37Å; D19-R21 IonicContact OD1-CZ 2.71Å; D19-R21 PolarHBondContact OD1-N 3.37Å; D19-R21 IonicContact OD1-NE 2.92Å; D19-R21 PolarHBondContact OD1-NE 3.35Å; D19-R21 IonicContact OD1-NH2 3.61Å; D19-R21 IonicContact OD2-CZ 3.42Å; D19-R21 IonicContact OD2-NE 3.68Å; D19-R21 PolarHBondContact OD2-NE 3.18Å; D19-R21 IonicContact OD2-NH2 2.67Å; D19-R21 PolarHBondContact OD2-NH2 3.23Å; R21-I23 VanDerWaalsContact C-N 3.28Å
22L83.2Confident73.3Confident73 Ų7391.7 Ų91.738%0.38249%0.488SS..G310 helixtrans-73.5-24.2178-66.3163.1000113.1D19 V20 V44D19-L22 HydrophobicContact CB-CD1 3.95Å; D19-L22 HydrophobicContact CB-CG 4.28Å; D19-L22 WeakPolarHBondContact O-CB 3.3Å; D19-L22 WeakPolarHBondContact O-CD1 3.44Å; D19-L22 WeakPolarHBondContact O-CG 3.33Å; D19-L22 PolarHBondContact O-N 3.43Å; V20-L22 PolarHBondContact O-N 2.75Å; L22-V44 HydrophobicContact CB-CG1 4.34Å
23I84.4Confident75.3Confident3 Ų381.6 Ų81.62%0.01545%0.453CS..SBendtrans-90.3124.2174.9-59168.8000106V20 R21 W37 L41 V44 V56 R60V20-I23 PolarHBondContact O-N 2.88Å; R21-I23 VanDerWaalsContact C-N 3.28Å; I23-W37 HydrophobicContact CG2-CZ2 4.24Å; I23-L41 HydrophobicContact CD1-CG 4.22Å; I23-L41 HydrophobicContact CG2-CB 4.27Å; I23-L41 HydrophobicContact CG2-CD1 3.99Å; I23-L41 HydrophobicContact CG2-CG 4.22Å; I23-V44 HydrophobicContact CD1-CG1 4.21Å; I23-V44 HydrophobicContact CG1-CB 4.06Å; I23-V44 HydrophobicContact CG1-CG1 3.8Å; I23-V44 HydrophobicContact CG1-CG2 4.39Å; I23-V56 HydrophobicContact CD1-CG1 3.29Å; I23-R60 HydrophobicContact CB-CG 3.87Å; I23-R60 HydrophobicContact CG2-CB 4.01Å; I23-R60 HydrophobicContact CG2-CG 3.71Å; I23-R60 PolarHBondContact O-NE 3.38Å; I23-R60 PolarHBondContact O-NH2 3.48Å
24P87.4Confident77.5Confident36 Ų3672.7 Ų72.723%0.23441%0.411CS..PPolyproline II helixtrans-64153.4176.525.8-31.5000110.9W37 K40P24-W37 PolarHBondContact O-NE1 3.45Å; P24-K40 HydrophobicContact CG-CD 4.13Å
25E91.5Very high79.6Confident125 Ų12568.2 Ų68.258%0.58438%0.384SS*.PPolyproline II helixtrans-70.7141.2170.4-64.8-175-177.900109.8R60E25-R60 WeakPolarHBondContact CA-O 3.49Å; E25-R60 IonicContact OE1-CZ 3.54Å; E25-R60 IonicContact OE1-NH1 2.8Å; E25-R60 PolarHBondContact OE1-NH1 3.19Å; E25-R60 IonicContact OE1-NH2 3.63Å
26Y93.4Very high81.4Confident5 Ų564.1 Ų64.12%0.0236%0.36CS..BIsolated β-bridgetrans-117.2109.1172.6-172.2-103.9000109.7Q32 I34 W37 R60 L61 A62 A65 F91Y26-Q32 WeakPolarHBondContact CE2-O 3.41Å; Y26-I34 HydrophobicContact CD1-CD1 3.75Å; Y26-I34 HydrophobicContact CE1-CB 4.23Å; Y26-I34 HydrophobicContact CE1-CD1 3.5Å; Y26-I34 HydrophobicContact CE1-CG1 4.3Å; Y26-I34 HydrophobicContact CE2-CB 4.48Å; Y26-I34 HydrophobicContact CE2-CD1 4.47Å; Y26-I34 HydrophobicContact CG-CD1 4.35Å; Y26-W37 VanDerWaalsContact CB-CE2 3.43Å; Y26-W37 HydrophobicContact CD2-CB 4.04Å; Y26-W37 HydrophobicContact CD2-CD2 4.39Å; Y26-W37 AromaticContact CD2-CG 3.92Å; Y26-W37 HydrophobicContact CD2-CG 3.92Å; Y26-W37 HydrophobicContact CG-CD2 4.05Å; Y26-W37 HydrophobicContact CG-CE3 4.45Å; Y26-W37 HydrophobicContact CG-CG 4.05Å; Y26-R60 PolarHBondContact N-O 3.05Å; Y26-L61 HydrophobicContact CD1-CD2 4.09Å; Y26-L61 WeakPolarHBondContact O-CA 3.49Å; Y26-A62 PolarHBondContact O-N 3.23Å; Y26-A65 HydrophobicContact CD1-CB 3.45Å; Y26-A65 VanDerWaalsContact CD1-CB 3.45Å; Y26-A65 HydrophobicContact CE1-CB 3.74Å; Y26-F91 HydrophobicContact CE1-CB 4.4Å; Y26-F91 HydrophobicContact CE1-CD2 4.07Å; Y26-F91 HydrophobicContact CE1-CG 4.14Å; Y26-F91 VanDerWaalsContact OH-CB 3.27Å; Y26-F91 WeakPolarHBondContact OH-CB 3.29Å
27D92.3Very high83.1Confident73 Ų7360.6 Ų60.639%0.3933%0.331SS..  trans-91.4-8.7-177.964-11000113.7S29 A62 S64 A65D27-S29 WeakPolarHBondContact OD1-CB 3.37Å; D27-S29 PolarHBondContact OD1-N 3.13Å; D27-S29 PolarHBondContact OD1-OG 3.24Å; D27-S29 PolarHBondContact OD2-OG 3.27Å; D27-A62 CarbonylContact C-O 3.5Å; D27-A62 WeakPolarHBondContact CA-O 3.22Å; D27-A62 HydrophobicContact CB-CB 4.21Å; D27-S64 PolarHBondContact O-N 3.41Å; D27-A65 PolarHBondContact O-N 2.93Å
28G88Confident84.4Confident18 Ų1855.9 Ų55.919%0.18630%0.298CS..SBendtrans87.28.7-171.100000114
29S83.1Confident85.5Confident36 Ų3657 Ų5725%0.25230%0.304SS..  trans-74.8157.5174.569.70000112.3D27 N31D27-S29 WeakPolarHBondContact OD1-CB 3.37Å; D27-S29 PolarHBondContact OD1-N 3.13Å; D27-S29 PolarHBondContact OD1-OG 3.24Å; D27-S29 PolarHBondContact OD2-OG 3.27Å; S29-N31 PolarHBondContact O-N 3.38Å; S29-N31 VanDerWaalsContact O-N 3.1Å
30S68Low86.2Confident117 Ų11758.9 Ų58.982%0.81831%0.31SS*.THydrogen-bonded Turntrans-71.50.4-177.356.40000114.8Q32S30-Q32 VanDerWaalsContact C-N 3.33Å; S30-Q32 PolarHBondContact O-N 3.41Å
31N74.9Confident87Confident145 Ų14556.5 Ų56.578%0.77530%0.296SS*.THydrogen-bonded Turntrans-70.4-28.9-176.5-69.8-29.7000113S29S29-N31 PolarHBondContact O-N 3.38Å; S29-N31 VanDerWaalsContact O-N 3.1Å
32Q81.4Confident87.5Confident49 Ų4949.8 Ų49.823%0.22927%0.272CS..SBendtrans-134.5128.9178.4-173.417036.100109.8Y26 S30 I34 E36 W37Y26-Q32 WeakPolarHBondContact CE2-O 3.41Å; S30-Q32 VanDerWaalsContact C-N 3.33Å; S30-Q32 PolarHBondContact O-N 3.41Å; Q32-I34 PolarHBondContact O-N 2.82Å; Q32-E36 HydrophobicContact CG-CB 4.45Å; Q32-W37 HydrophobicContact CG-CB 4.34Å
33P87.4Confident87.8Confident26 Ų2650.4 Ų50.417%0.16928%0.276CS..  trans-61.7135.5171.5-19.931.8000110.8S35 E36 W37P33-S35 VanDerWaalsContact C-N 3.25Å; P33-S35 PolarHBondContact O-N 3.13Å; P33-E36 HydrophobicContact CB-CB 4.41Å; P33-E36 HydrophobicContact CB-CG 4.12Å; P33-E36 HydrophobicContact CG-CG 4.06Å; P33-E36 PolarHBondContact O-N 3.37Å; P33-W37 PolarHBondContact O-N 3.49Å; P33-W37 VanDerWaalsContact O-N 3.1Å
34I92.4Very high88.2Confident0 Ų051.3 Ų51.30%028%0.281CS..Hα-helixtrans-57.5-38.7179.1178.662.2000111.8Y26 Q32 E36 W37 L38 L87 R88 F91 E92Y26-I34 HydrophobicContact CD1-CD1 3.75Å; Y26-I34 HydrophobicContact CE1-CB 4.23Å; Y26-I34 HydrophobicContact CE1-CD1 3.5Å; Y26-I34 HydrophobicContact CE1-CG1 4.3Å; Y26-I34 HydrophobicContact CE2-CB 4.48Å; Y26-I34 HydrophobicContact CE2-CD1 4.47Å; Y26-I34 HydrophobicContact CG-CD1 4.35Å; Q32-I34 PolarHBondContact O-N 2.82Å; I34-E36 PolarHBondContact O-N 3.25Å; I34-W37 HydrophobicContact CD1-CE3 3.79Å; I34-W37 HydrophobicContact CD1-CZ3 4.35Å; I34-W37 PolarHBondContact O-N 2.94Å; I34-L38 HydrophobicContact CD1-CD1 4.27Å; I34-L38 HydrophobicContact CD1-CG 4.01Å; I34-L38 HydrophobicContact CG1-CD1 3.95Å; I34-L38 HydrophobicContact CG1-CG 4.18Å; I34-L38 WeakPolarHBondContact O-CB 3.34Å; I34-L38 WeakPolarHBondContact O-CG 3.44Å; I34-L38 PolarHBondContact O-N 3.05Å; I34-L87 HydrophobicContact CD1-CB 4.05Å; I34-L87 HydrophobicContact CD1-CD1 4.38Å; I34-L87 HydrophobicContact CG1-CB 4.02Å; I34-R88 HydrophobicContact CG2-CG 4.41Å; I34-F91 HydrophobicContact CB-CB 4.16Å; I34-F91 HydrophobicContact CG2-CB 4.09Å; I34-E92 HydrophobicContact CG2-CB 3.98Å; I34-E92 WeakPolarHBondContact CG2-OE2 3.36Å
35S89.7Confident88.3Confident21 Ų2149.7 Ų49.715%0.14727%0.271CS..Hα-helixtrans-60.3-41.7174.9-76.40000113.3P33 W37 L38 D39 E92P33-S35 VanDerWaalsContact C-N 3.25Å; P33-S35 PolarHBondContact O-N 3.13Å; S35-W37 VanDerWaalsContact C-N 3.32Å; S35-W37 PolarHBondContact O-N 3.29Å; S35-L38 PolarHBondContact O-N 3.09Å; S35-D39 WeakPolarHBondContact O-CB 3.49Å; S35-D39 PolarHBondContact O-N 3.17Å; S35-E92 VanDerWaalsContact CB-OE2 3.3Å; S35-E92 WeakPolarHBondContact CB-OE2 3.49Å; S35-E92 PolarHBondContact N-OE2 3.43Å; S35-E92 PolarHBondContact OG-OE2 3.35Å
36E88.7Confident88.3Confident76 Ų7652.1 Ų52.136%0.35528%0.275SS..Hα-helixtrans-65-38.9175.7-70.3-174.7-16800111.9Q32 P33 I34 K40 R122Q32-E36 HydrophobicContact CG-CB 4.45Å; P33-E36 HydrophobicContact CB-CB 4.41Å; P33-E36 HydrophobicContact CB-CG 4.12Å; P33-E36 HydrophobicContact CG-CG 4.06Å; P33-E36 PolarHBondContact O-N 3.37Å; I34-E36 PolarHBondContact O-N 3.25Å; E36-K40 WeakPolarHBondContact O-CB 3.48Å; E36-K40 PolarHBondContact O-N 3.24Å; E36-R122 WeakPolarHBondContact OE1-CD 3.25Å; E36-R122 IonicContact OE1-CZ 2.96Å; E36-R122 IonicContact OE1-NE 2.61Å; E36-R122 PolarHBondContact OE1-NE 3.1Å
37W92.9Very high88.1Confident0 Ų057.6 Ų57.60%030%0.303CS..Hα-helixtrans-64.9-44.7177.5-17987000111.4I23 P24 Y26 Q32 P33 I34 S35 K40 L41 I57 R60 L61I23-W37 HydrophobicContact CG2-CZ2 4.24Å; P24-W37 PolarHBondContact O-NE1 3.45Å; Y26-W37 VanDerWaalsContact CB-CE2 3.43Å; Y26-W37 HydrophobicContact CD2-CB 4.04Å; Y26-W37 HydrophobicContact CD2-CD2 4.39Å; Y26-W37 AromaticContact CD2-CG 3.92Å; Y26-W37 HydrophobicContact CD2-CG 3.92Å; Y26-W37 HydrophobicContact CG-CD2 4.05Å; Y26-W37 HydrophobicContact CG-CE3 4.45Å; Y26-W37 HydrophobicContact CG-CG 4.05Å; Q32-W37 HydrophobicContact CG-CB 4.34Å; P33-W37 PolarHBondContact O-N 3.49Å; P33-W37 VanDerWaalsContact O-N 3.1Å; I34-W37 HydrophobicContact CD1-CE3 3.79Å; I34-W37 HydrophobicContact CD1-CZ3 4.35Å; I34-W37 PolarHBondContact O-N 2.94Å; S35-W37 VanDerWaalsContact C-N 3.32Å; S35-W37 PolarHBondContact O-N 3.29Å; W37-K40 PolarHBondContact O-N 3.49Å; W37-L41 HydrophobicContact CE3-CD1 4.47Å; W37-L41 HydrophobicContact CH2-CD1 3.36Å; W37-L41 HydrophobicContact CZ2-CD1 3.69Å; W37-L41 HydrophobicContact CZ3-CD1 3.79Å; W37-L41 WeakPolarHBondContact O-CB 3.5Å; W37-L41 PolarHBondContact O-N 3.18Å; W37-I57 HydrophobicContact CH2-CG2 4.27Å; W37-I57 HydrophobicContact CZ3-CG2 4.39Å; W37-R60 HydrophobicContact CH2-CB 4.48Å; W37-R60 HydrophobicContact CZ2-CB 3.75Å; W37-L61 HydrophobicContact CH2-CD2 3.63Å; W37-L61 HydrophobicContact CH2-CG 4.31Å; W37-L61 HydrophobicContact CZ2-CD2 4.29Å; W37-L61 HydrophobicContact CZ3-CD2 3.94Å
38L93.1Very high87.9Confident0 Ų058.8 Ų58.80%030%0.302CS..Hα-helixtrans-62.2-45.4176.2-73.7174.3000111.8I34 S35 K40 L41 E42 K84 R88I34-L38 HydrophobicContact CD1-CD1 4.27Å; I34-L38 HydrophobicContact CD1-CG 4.01Å; I34-L38 HydrophobicContact CG1-CD1 3.95Å; I34-L38 HydrophobicContact CG1-CG 4.18Å; I34-L38 WeakPolarHBondContact O-CB 3.34Å; I34-L38 WeakPolarHBondContact O-CG 3.44Å; I34-L38 PolarHBondContact O-N 3.05Å; S35-L38 PolarHBondContact O-N 3.09Å; L38-K40 VanDerWaalsContact C-N 3.32Å; L38-K40 PolarHBondContact O-N 3.26Å; L38-L41 PolarHBondContact O-N 3.26Å; L38-E42 WeakPolarHBondContact O-CG 3.38Å; L38-E42 PolarHBondContact O-N 3.2Å; L38-K84 HydrophobicContact CD1-CB 4.2Å; L38-K84 HydrophobicContact CD1-CG 4.1Å; L38-K84 HydrophobicContact CD2-CG 3.95Å; L38-R88 HydrophobicContact CD1-CG 4.18Å
39D90.7Very high87.8Confident93 Ų9360.6 Ų60.650%0.49732%0.321SS..Hα-helixtrans-61.3-41.8177.9-70.3-14.5000111.3S35 L43S35-D39 WeakPolarHBondContact O-CB 3.49Å; S35-D39 PolarHBondContact O-N 3.17Å; D39-L43 WeakPolarHBondContact O-CB 3.41Å; D39-L43 PolarHBondContact O-N 3.49Å
40K90.7Very high87.9Confident96 Ų9660.1 Ų60.142%0.41732%0.315SS..Hα-helixtrans-66.3-41.9175.9-174.1176-179.9179.30111.7P24 E36 W37 L38 L43 V44P24-K40 HydrophobicContact CG-CD 4.13Å; E36-K40 WeakPolarHBondContact O-CB 3.48Å; E36-K40 PolarHBondContact O-N 3.24Å; W37-K40 PolarHBondContact O-N 3.49Å; L38-K40 VanDerWaalsContact C-N 3.32Å; L38-K40 PolarHBondContact O-N 3.26Å; K40-L43 PolarHBondContact O-N 3.18Å; K40-V44 WeakPolarHBondContact O-CG2 3.5Å; K40-V44 PolarHBondContact O-N 3.42Å
41L91.9Very high88.7Confident1 Ų162.1 Ų62.11%0.00532%0.316CS..Hα-helixtrans-60-50.3176.2-179.3150.6000110.4I23 W37 L38 L43 V44 C45 V53 V56 I57I23-L41 HydrophobicContact CD1-CG 4.22Å; I23-L41 HydrophobicContact CG2-CB 4.27Å; I23-L41 HydrophobicContact CG2-CD1 3.99Å; I23-L41 HydrophobicContact CG2-CG 4.22Å; W37-L41 HydrophobicContact CE3-CD1 4.47Å; W37-L41 HydrophobicContact CH2-CD1 3.36Å; W37-L41 HydrophobicContact CZ2-CD1 3.69Å; W37-L41 HydrophobicContact CZ3-CD1 3.79Å; W37-L41 WeakPolarHBondContact O-CB 3.5Å; W37-L41 PolarHBondContact O-N 3.18Å; L38-L41 PolarHBondContact O-N 3.26Å; L41-L43 VanDerWaalsContact C-N 3.32Å; L41-L43 PolarHBondContact O-N 2.92Å; L41-V44 PolarHBondContact O-N 2.95Å; L41-C45 PolarHBondContact O-N 3.22Å; L41-C45 PolarHBondContact O-SG 3.25Å; L41-V53 HydrophobicContact CD2-CG1 3.36Å; L41-V56 HydrophobicContact CD1-CG1 4.43Å; L41-I57 HydrophobicContact CD1-CG1 3.99Å; L41-I57 HydrophobicContact CD2-CG1 4.06Å
42E91.9Very high89.2Confident52 Ų5258.9 Ų58.924%0.24330%0.299CS..Hα-helixtrans-60.1-40.5177.3-73.3-177.7-168.600112.6L38 C45 R46 K84L38-E42 WeakPolarHBondContact O-CG 3.38Å; L38-E42 PolarHBondContact O-N 3.2Å; E42-C45 PolarHBondContact O-N 3.31Å; E42-R46 WeakPolarHBondContact O-CB 3.38Å; E42-R46 PolarHBondContact O-N 3.33Å; E42-K84 VanDerWaalsContact OE1-CE 3.27Å; E42-K84 WeakPolarHBondContact OE1-CE 3.49Å; E42-K84 IonicContact OE1-NZ 3.56Å; E42-K84 PolarHBondContact OE1-NZ 3.02Å
43L91.1Very high89.5Confident86 Ų8657.8 Ų57.845%0.4530%0.296SS..Hα-helixtrans-61.5-45.2175.7179.163.1000111.5D39 K40 L41 R46 I47D39-L43 WeakPolarHBondContact O-CB 3.41Å; D39-L43 PolarHBondContact O-N 3.49Å; K40-L43 PolarHBondContact O-N 3.18Å; L41-L43 VanDerWaalsContact C-N 3.32Å; L41-L43 PolarHBondContact O-N 2.92Å; L43-R46 PolarHBondContact O-N 3.02Å; L43-I47 HydrophobicContact CD1-CD1 3.91Å; L43-I47 HydrophobicContact CD1-CG1 4.34Å; L43-I47 HydrophobicContact CG-CD1 3.9Å; L43-I47 VanDerWaalsContact O-CG1 3.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.33Å; L43-I47 PolarHBondContact O-N 2.91Å
44V90.9Very high89.5Confident23 Ų2357.4 Ų57.414%0.13929%0.293CS..Hα-helixtrans-64.2-45.4177.1173.90000110.6L22 I23 K40 L41 R46 I47 R48L22-V44 HydrophobicContact CB-CG1 4.34Å; I23-V44 HydrophobicContact CD1-CG1 4.21Å; I23-V44 HydrophobicContact CG1-CB 4.06Å; I23-V44 HydrophobicContact CG1-CG1 3.8Å; I23-V44 HydrophobicContact CG1-CG2 4.39Å; K40-V44 WeakPolarHBondContact O-CG2 3.5Å; K40-V44 PolarHBondContact O-N 3.42Å; L41-V44 PolarHBondContact O-N 2.95Å; V44-R46 VanDerWaalsContact C-N 3.3Å; V44-R46 PolarHBondContact O-N 3.42Å; V44-I47 PolarHBondContact O-N 3.28Å; V44-R48 HydrophobicContact CG1-CG 4.32Å; V44-R48 WeakPolarHBondContact O-CB 3.49Å; V44-R48 WeakPolarHBondContact O-CG 3.46Å; V44-R48 PolarHBondContact O-N 3.02Å
45C90.7Very high89.2Confident1 Ų160.3 Ų60.31%0.00731%0.313CS..Hα-helixtrans-54.9-47.2175.6-66.50000111.4L41 E42 R48 G49 I50 V53L41-C45 PolarHBondContact O-N 3.22Å; L41-C45 PolarHBondContact O-SG 3.25Å; E42-C45 PolarHBondContact O-N 3.31Å; C45-R48 PolarHBondContact O-N 3.45Å; C45-G49 PolarHBondContact O-N 3.14Å; C45-I50 HydrophobicContact CB-CB 4.11Å; C45-I50 HydrophobicContact CB-CD1 3.91Å; C45-I50 HydrophobicContact CB-CG1 4.36Å; C45-I50 PolarHBondContact O-N 3.17Å; C45-V53 HydrophobicContact CB-CG2 4.12Å
46R90.8Very high89.2Confident177 Ų17759.6 Ų59.667%0.66831%0.308SS*.Hα-helixtrans-62.4-45.7178.6-169.4-172.4-53.6159.76.4112.8E42 L43 V44 R48 G49E42-R46 WeakPolarHBondContact O-CB 3.38Å; E42-R46 PolarHBondContact O-N 3.33Å; L43-R46 PolarHBondContact O-N 3.02Å; V44-R46 VanDerWaalsContact C-N 3.3Å; V44-R46 PolarHBondContact O-N 3.42Å; R46-R48 PolarHBondContact O-N 3.33Å; R46-G49 PolarHBondContact O-N 3.35Å
47I89.9Confident89.3Confident119 Ų11956 Ų5661%0.6129%0.291SS*.Hα-helixtrans-65.4-30.4179.7-69.2168000111.3L43 V44L43-I47 HydrophobicContact CD1-CD1 3.91Å; L43-I47 HydrophobicContact CD1-CG1 4.34Å; L43-I47 HydrophobicContact CG-CD1 3.9Å; L43-I47 VanDerWaalsContact O-CG1 3.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.33Å; L43-I47 PolarHBondContact O-N 2.91Å; V44-I47 PolarHBondContact O-N 3.28Å
48R87.7Confident89.2Confident99 Ų9957.2 Ų57.237%0.37430%0.299SS..Hα-helixtrans-92.6-3.2-179.3-62.6-5717995.1-13.7114.7L18 V44 C45 R46 I50L18-R48 HydrophobicContact CD2-CB 3.98Å; L18-R48 HydrophobicContact CD2-CG 4.3Å; V44-R48 HydrophobicContact CG1-CG 4.32Å; V44-R48 WeakPolarHBondContact O-CB 3.49Å; V44-R48 WeakPolarHBondContact O-CG 3.46Å; V44-R48 PolarHBondContact O-N 3.02Å; C45-R48 PolarHBondContact O-N 3.45Å; R46-R48 PolarHBondContact O-N 3.33Å; R48-I50 HydrophobicContact CB-CG1 4.1Å
49G85.7Confident89.1Confident56 Ų5662.3 Ų62.358%0.57733%0.326SS*.THydrogen-bonded Turntrans69.434.8-178.400000113.4C45 R46C45-G49 PolarHBondContact O-N 3.14Å; R46-G49 PolarHBondContact O-N 3.35Å
50I85.9Confident89.2Confident25 Ų2559.3 Ų59.313%0.12831%0.308CS..  trans-89117.4171.6-38.2168.7000108.6L18 C45 R48 V56L18-I50 HydrophobicContact CD1-CD1 3.44Å; L18-I50 VanDerWaalsContact CD1-CD1 3.44Å; L18-I50 HydrophobicContact CD1-CG1 3.71Å; L18-I50 HydrophobicContact CD1-CG2 4.22Å; L18-I50 HydrophobicContact CD2-CD1 2.99Å; L18-I50 HydrophobicContact CD2-CG1 3.44Å; L18-I50 VanDerWaalsContact CD2-CG1 3.44Å; L18-I50 HydrophobicContact CG-CD1 3.74Å; L18-I50 HydrophobicContact CG-CG1 3.95Å; C45-I50 HydrophobicContact CB-CB 4.11Å; C45-I50 HydrophobicContact CB-CD1 3.91Å; C45-I50 HydrophobicContact CB-CG1 4.36Å; C45-I50 PolarHBondContact O-N 3.17Å; R48-I50 HydrophobicContact CB-CG1 4.1Å; I50-V56 HydrophobicContact CD1-CG2 3.83Å; I50-V56 HydrophobicContact CG2-CG2 4.05Å
51D83.8Confident89.3Confident159 Ų15955.4 Ų55.485%0.8529%0.291SS*.SBendtrans-83.2-35.2176-61.3-40.1000111.9V53D51-V53 PolarHBondContact O-N 3.06Å
52D86.4Confident89.4Confident78 Ų7856.6 Ų56.642%0.41730%0.301SS..  trans-91.688.2178.6-178.834.7000112.2T54 S55D52-T54 PolarHBondContact O-N 2.94Å; D52-T54 WeakPolarHBondContact OD1-CB 3.32Å; D52-T54 PolarHBondContact OD1-N 3.26Å; D52-T54 VanDerWaalsContact OD1-N 3.14Å; D52-T54 PolarHBondContact OD1-OG1 3.25Å; D52-S55 PolarHBondContact O-OG 3.5Å; D52-S55 VanDerWaalsContact O-OG 3.08Å; D52-S55 WeakPolarHBondContact OD2-CB 3.33Å; D52-S55 PolarHBondContact OD2-N 2.85Å; D52-S55 PolarHBondContact OD2-OG 2.95Å
53V87.8Confident89.5Confident25 Ų2556.7 Ų56.715%0.15232%0.316CS..  trans-64.6-26.2173.9-176.30000111.6L41 C45 D51 S55 V56 I57L41-V53 HydrophobicContact CD2-CG1 3.36Å; C45-V53 HydrophobicContact CB-CG2 4.12Å; D51-V53 PolarHBondContact O-N 3.06Å; V53-S55 PolarHBondContact O-N 2.86Å; V53-V56 PolarHBondContact O-N 2.85Å; V53-V56 VanDerWaalsContact O-N 3.13Å; V53-I57 HydrophobicContact CG1-CD1 4.24Å; V53-I57 HydrophobicContact CG1-CG1 4.34Å; V53-I57 PolarHBondContact O-N 3.38Å
54T87.8Confident89.6Confident19 Ų1956.1 Ų56.112%0.11732%0.319CS..THydrogen-bonded Turntrans-65.1-38.5-173.9-330000112.3D52 V56 P58 Q77D52-T54 PolarHBondContact O-N 2.94Å; D52-T54 WeakPolarHBondContact OD1-CB 3.32Å; D52-T54 PolarHBondContact OD1-N 3.26Å; D52-T54 VanDerWaalsContact OD1-N 3.14Å; D52-T54 PolarHBondContact OD1-OG1 3.25Å; T54-V56 VanDerWaalsContact C-N 3.27Å; T54-V56 PolarHBondContact O-N 3.3Å; T54-P58 WeakPolarHBondContact O-CD 3.36Å; T54-Q77 WeakPolarHBondContact CG2-O 3.37Å
55S85Confident89.7Confident61 Ų6155 Ų5543%0.42731%0.312SS..THydrogen-bonded Turntrans-71.8-20.7176.452.10000113.7D52 V53 L59D52-S55 PolarHBondContact O-OG 3.5Å; D52-S55 VanDerWaalsContact O-OG 3.08Å; D52-S55 WeakPolarHBondContact OD2-CB 3.33Å; D52-S55 PolarHBondContact OD2-N 2.85Å; D52-S55 PolarHBondContact OD2-OG 2.95Å; V53-S55 PolarHBondContact O-N 2.86Å; S55-L59 WeakPolarHBondContact O-CG 3.36Å
56V89.6Confident89.9Confident6 Ų659.5 Ų59.54%0.03633%0.332CS..THydrogen-bonded Turntrans-85.5-36.7-176.7-1770000112.1L18 I23 L41 I50 V53 T54 L59L18-V56 HydrophobicContact CD1-CG2 4.45Å; I23-V56 HydrophobicContact CD1-CG1 3.29Å; L41-V56 HydrophobicContact CD1-CG1 4.43Å; I50-V56 HydrophobicContact CD1-CG2 3.83Å; I50-V56 HydrophobicContact CG2-CG2 4.05Å; V53-V56 PolarHBondContact O-N 2.85Å; V53-V56 VanDerWaalsContact O-N 3.13Å; T54-V56 VanDerWaalsContact C-N 3.27Å; T54-V56 PolarHBondContact O-N 3.3Å; V56-L59 WeakPolarHBondContact O-CB 3.45Å; V56-L59 PolarHBondContact O-N 3.14Å
57I91.1Very high90.1Very high0 Ų052.8 Ų52.80%032%0.315CS..Hα-helixtrans-52.2-54.9-177.9-67.8165.1000111.2W37 L41 V53 L59 R60 L61 V83 K84 L87W37-I57 HydrophobicContact CH2-CG2 4.27Å; W37-I57 HydrophobicContact CZ3-CG2 4.39Å; L41-I57 HydrophobicContact CD1-CG1 3.99Å; L41-I57 HydrophobicContact CD2-CG1 4.06Å; V53-I57 HydrophobicContact CG1-CD1 4.24Å; V53-I57 HydrophobicContact CG1-CG1 4.34Å; V53-I57 PolarHBondContact O-N 3.38Å; I57-L59 PolarHBondContact O-N 3.43Å; I57-L59 VanDerWaalsContact O-N 3.16Å; I57-R60 PolarHBondContact O-N 3.07Å; I57-R60 VanDerWaalsContact O-N 3.12Å; I57-L61 HydrophobicContact CG2-CD1 3.74Å; I57-L61 HydrophobicContact CG2-CD2 4.35Å; I57-L61 HydrophobicContact CG2-CG 3.95Å; I57-L61 WeakPolarHBondContact O-CG 3.45Å; I57-L61 PolarHBondContact O-N 2.82Å; I57-V83 HydrophobicContact CD1-CG1 4.09Å; I57-V83 HydrophobicContact CG2-CG1 3.85Å; I57-K84 HydrophobicContact CD1-CG 4.4Å; I57-L87 HydrophobicContact CG2-CD1 3.94Å
58P91.3Very high90.3Very high25 Ų2548.9 Ų48.916%0.16230%0.296CS..Hα-helixtrans-64.5-27.2-173.7-20.834.5000113.4T54 R60 Y69T54-P58 WeakPolarHBondContact O-CD 3.36Å; P58-R60 PolarHBondContact O-N 3.37Å; P58-Y69 HydrophobicContact CB-CD1 4.2Å; P58-Y69 HydrophobicContact CB-CE1 3.73Å; P58-Y69 HydrophobicContact CB-CE2 4.4Å; P58-Y69 HydrophobicContact CG-CD1 4.4Å; P58-Y69 HydrophobicContact CG-CD2 4.32Å; P58-Y69 HydrophobicContact CG-CE1 3.72Å; P58-Y69 HydrophobicContact CG-CE2 3.6Å; P58-Y69 VanDerWaalsContact CG-OH 3.29Å; P58-Y69 WeakPolarHBondContact CG-OH 3.38Å
59L90.8Very high90.6Very high108 Ų10845.6 Ų45.657%0.56528%0.284SS*.Hα-helixtrans-67.1-20.2-179.7-60.8176.5000113V20 S55 V56 I57V20-L59 HydrophobicContact CG1-CB 4.26Å; V20-L59 HydrophobicContact CG2-CD1 4.41Å; S55-L59 WeakPolarHBondContact O-CG 3.36Å; V56-L59 WeakPolarHBondContact O-CB 3.45Å; V56-L59 PolarHBondContact O-N 3.14Å; I57-L59 PolarHBondContact O-N 3.43Å; I57-L59 VanDerWaalsContact O-N 3.16Å
60R92.5Very high91Very high30 Ų3046 Ų4611%0.11328%0.278CS..Hα-helixtrans-120.60.1-175.9-58.6-57.2-57.6151-20.2113.4V20 I23 E25 Y26 W37 I57 P58V20-R60 HydrophobicContact CG1-CG 4.11Å; V20-R60 WeakPolarHBondContact O-CD 3.29Å; V20-R60 PolarHBondContact O-NE 3.13Å; I23-R60 HydrophobicContact CB-CG 3.87Å; I23-R60 HydrophobicContact CG2-CB 4.01Å; I23-R60 HydrophobicContact CG2-CG 3.71Å; I23-R60 PolarHBondContact O-NE 3.38Å; I23-R60 PolarHBondContact O-NH2 3.48Å; E25-R60 WeakPolarHBondContact CA-O 3.49Å; E25-R60 IonicContact OE1-CZ 3.54Å; E25-R60 IonicContact OE1-NH1 2.8Å; E25-R60 PolarHBondContact OE1-NH1 3.19Å; E25-R60 IonicContact OE1-NH2 3.63Å; Y26-R60 PolarHBondContact N-O 3.05Å; W37-R60 HydrophobicContact CH2-CB 4.48Å; W37-R60 HydrophobicContact CZ2-CB 3.75Å; I57-R60 PolarHBondContact O-N 3.07Å; I57-R60 VanDerWaalsContact O-N 3.12Å; P58-R60 PolarHBondContact O-N 3.37Å
61L93.4Very high91.5Very high13 Ų1352.3 Ų52.37%0.06831%0.307CS..BIsolated β-bridgetrans-79.2135.8168.1-66.3-177.6000109.6Y26 W37 I57 A65 F66 Y69 L87Y26-L61 HydrophobicContact CD1-CD2 4.09Å; Y26-L61 WeakPolarHBondContact O-CA 3.49Å; W37-L61 HydrophobicContact CH2-CD2 3.63Å; W37-L61 HydrophobicContact CH2-CG 4.31Å; W37-L61 HydrophobicContact CZ2-CD2 4.29Å; W37-L61 HydrophobicContact CZ3-CD2 3.94Å; I57-L61 HydrophobicContact CG2-CD1 3.74Å; I57-L61 HydrophobicContact CG2-CD2 4.35Å; I57-L61 HydrophobicContact CG2-CG 3.95Å; I57-L61 WeakPolarHBondContact O-CG 3.45Å; I57-L61 PolarHBondContact O-N 2.82Å; L61-A65 HydrophobicContact CD2-CB 3.91Å; L61-F66 HydrophobicContact CB-CB 4.03Å; L61-F66 HydrophobicContact CB-CD2 4.13Å; L61-Y69 HydrophobicContact CD1-CD2 4.33Å; L61-Y69 HydrophobicContact CD1-CG 4.03Å; L61-L87 HydrophobicContact CD1-CD1 4.18Å; L61-L87 HydrophobicContact CD1-CD2 4.06Å; L61-L87 HydrophobicContact CD2-CD1 4.23Å; L61-L87 HydrophobicContact CD2-CD2 4.3Å
62A93.2Very high91.9Very high27 Ų2746.1 Ų46.122%0.22327%0.274CS..  trans-129.9173.7173.500000109.7Y26 D27 S64 A65 F66Y26-A62 PolarHBondContact O-N 3.23Å; D27-A62 CarbonylContact C-O 3.5Å; D27-A62 WeakPolarHBondContact CA-O 3.22Å; D27-A62 HydrophobicContact CB-CB 4.21Å; A62-S64 PolarHBondContact O-N 3.34Å; A62-A65 PolarHBondContact O-N 3.02Å; A62-A65 VanDerWaalsContact O-N 3.12Å; A62-F66 PolarHBondContact O-N 3.49Å
63G93.2Very high92.3Very high54 Ų5445.8 Ų45.856%0.55728%0.276SS*.Hα-helixtrans51.1-133.7168.700000114.7A65 F66 A67G63-A65 VanDerWaalsContact C-N 3.25Å; G63-A65 PolarHBondContact O-N 3.4Å; G63-F66 PolarHBondContact O-N 3.01Å; G63-A67 PolarHBondContact O-N 2.67Å; G63-A67 VanDerWaalsContact O-N 3.13Å
64S93.4Very high92.5Very high73 Ų7350.7 Ų50.751%0.5130%0.301SS..Hα-helixtrans-61.8-34.2-179.9-61.60000112D27 A62 A67 V68 F91D27-S64 PolarHBondContact O-N 3.41Å; A62-S64 PolarHBondContact O-N 3.34Å; S64-A67 WeakPolarHBondContact O-CB 3.38Å; S64-A67 PolarHBondContact O-N 2.92Å; S64-V68 WeakPolarHBondContact O-CG2 3.48Å; S64-V68 PolarHBondContact O-N 2.91Å; S64-F91 VanDerWaalsContact C-CZ 3.48Å; S64-F91 WeakPolarHBondContact O-CZ 3.33Å
65A94.2Very high92.6Very high0 Ų057.4 Ų57.40%033%0.331CS..Hα-helixtrans-67.6-40.7-179.400000112.7Y26 D27 L61 A62 G63 A67 V68 Y69 L87 F91Y26-A65 HydrophobicContact CD1-CB 3.45Å; Y26-A65 VanDerWaalsContact CD1-CB 3.45Å; Y26-A65 HydrophobicContact CE1-CB 3.74Å; D27-A65 PolarHBondContact O-N 2.93Å; L61-A65 HydrophobicContact CD2-CB 3.91Å; A62-A65 PolarHBondContact O-N 3.02Å; A62-A65 VanDerWaalsContact O-N 3.12Å; G63-A65 VanDerWaalsContact C-N 3.25Å; G63-A65 PolarHBondContact O-N 3.4Å; A65-A67 VanDerWaalsContact C-N 3.32Å; A65-V68 PolarHBondContact O-N 3.26Å; A65-Y69 PolarHBondContact O-N 3.34Å; A65-Y69 VanDerWaalsContact O-N 3.15Å; A65-L87 HydrophobicContact CB-CD2 4.45Å; A65-F91 VanDerWaalsContact CA-CE2 3.48Å; A65-F91 VanDerWaalsContact CA-CZ 3.45Å; A65-F91 HydrophobicContact CB-CD2 4.46Å; A65-F91 HydrophobicContact CB-CE2 3.83Å; A65-F91 HydrophobicContact CB-CZ 4.04Å
66F94.7Very high93Very high95 Ų9558 Ų5842%0.41733%0.326SS..Hα-helixtrans-66.3-36.2172.2-172.2-99000111.8L61 A62 G63 V68 Y69 S70L61-F66 HydrophobicContact CB-CB 4.03Å; L61-F66 HydrophobicContact CB-CD2 4.13Å; A62-F66 PolarHBondContact O-N 3.49Å; G63-F66 PolarHBondContact O-N 3.01Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.19Å; F66-Y69 HydrophobicContact CD2-CD1 4.47Å; F66-Y69 HydrophobicContact CE2-CD1 4.25Å; F66-Y69 PolarHBondContact O-N 2.91Å; F66-S70 WeakPolarHBondContact O-CB 3.46Å; F66-S70 PolarHBondContact O-N 3.22Å; F66-S70 PolarHBondContact O-OG 2.71Å
67A94.9Very high93.1Very high37 Ų3759.5 Ų59.531%0.30633%0.333SS..Hα-helixtrans-60-43.1176.100000112G63 S64 A65 S70 Q71G63-A67 PolarHBondContact O-N 2.67Å; G63-A67 VanDerWaalsContact O-N 3.13Å; S64-A67 WeakPolarHBondContact O-CB 3.38Å; S64-A67 PolarHBondContact O-N 2.92Å; A65-A67 VanDerWaalsContact C-N 3.32Å; A67-S70 PolarHBondContact O-N 3.34Å; A67-S70 PolarHBondContact O-OG 2.94Å; A67-Q71 WeakPolarHBondContact O-CG 3.45Å; A67-Q71 PolarHBondContact O-N 3.37Å; A67-Q71 PolarHBondContact O-NE2 3.21Å
68V94.7Very high93Very high37 Ų3769.7 Ų69.722%0.22437%0.372CS..Hα-helixtrans-61.3-47.7174.3172.10000111S64 A65 F66 S70 Q71 A90 F91S64-V68 WeakPolarHBondContact O-CG2 3.48Å; S64-V68 PolarHBondContact O-N 2.91Å; A65-V68 PolarHBondContact O-N 3.26Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.19Å; V68-S70 VanDerWaalsContact C-N 3.33Å; V68-S70 PolarHBondContact O-N 3.1Å; V68-Q71 PolarHBondContact O-N 3.28Å; V68-A90 HydrophobicContact CB-CB 4.45Å; V68-A90 HydrophobicContact CG1-CB 3.98Å; V68-A90 HydrophobicContact CG2-CB 3.76Å; V68-F91 HydrophobicContact CB-CE2 4.1Å; V68-F91 HydrophobicContact CB-CZ 4.42Å; V68-F91 HydrophobicContact CG2-CE2 3.73Å; V68-F91 HydrophobicContact CG2-CZ 3.65Å
69Y94.1Very high93Very high30 Ų3071.6 Ų71.612%0.11838%0.38CS..Hα-helixtrans-58.4-44.3177.7174.3-94.4000112.4P58 L61 A65 F66 Q71 L72 Q77 V83P58-Y69 HydrophobicContact CB-CD1 4.2Å; P58-Y69 HydrophobicContact CB-CE1 3.73Å; P58-Y69 HydrophobicContact CB-CE2 4.4Å; P58-Y69 HydrophobicContact CG-CD1 4.4Å; P58-Y69 HydrophobicContact CG-CD2 4.32Å; P58-Y69 HydrophobicContact CG-CE1 3.72Å; P58-Y69 HydrophobicContact CG-CE2 3.6Å; P58-Y69 VanDerWaalsContact CG-OH 3.29Å; P58-Y69 WeakPolarHBondContact CG-OH 3.38Å; L61-Y69 HydrophobicContact CD1-CD2 4.33Å; L61-Y69 HydrophobicContact CD1-CG 4.03Å; A65-Y69 PolarHBondContact O-N 3.34Å; A65-Y69 VanDerWaalsContact O-N 3.15Å; F66-Y69 HydrophobicContact CD2-CD1 4.47Å; F66-Y69 HydrophobicContact CE2-CD1 4.25Å; F66-Y69 PolarHBondContact O-N 2.91Å; Y69-Q71 PolarHBondContact O-N 2.86Å; Y69-L72 HydrophobicContact CD2-CD1 4.45Å; Y69-L72 WeakPolarHBondContact O-CB 3.2Å; Y69-L72 PolarHBondContact O-N 2.88Å; Y69-L72 VanDerWaalsContact O-N 3.11Å; Y69-Q77 HydrophobicContact CE1-CG 4.37Å; Y69-Q77 HydrophobicContact CE2-CB 4.16Å; Y69-Q77 HydrophobicContact CE2-CG 3.95Å; Y69-Q77 PolarHBondContact O-NE2 3.23Å; Y69-Q77 PolarHBondContact OH-OE1 3Å; Y69-V83 HydrophobicContact CD2-CG1 3.91Å; Y69-V83 HydrophobicContact CD2-CG2 4.31Å; Y69-V83 HydrophobicContact CE2-CG1 4.21Å; Y69-V83 HydrophobicContact CE2-CG2 4Å
70S94.1Very high93Very high65 Ų6567.4 Ų67.446%0.45536%0.361SS..Hα-helixtrans-64.2-23-17873.20000114.2F66 A67 V68F66-S70 WeakPolarHBondContact O-CB 3.46Å; F66-S70 PolarHBondContact O-N 3.22Å; F66-S70 PolarHBondContact O-OG 2.71Å; A67-S70 PolarHBondContact O-N 3.34Å; A67-S70 PolarHBondContact O-OG 2.94Å; V68-S70 VanDerWaalsContact C-N 3.33Å; V68-S70 PolarHBondContact O-N 3.1Å
71Q94.6Very high93Very high157 Ų15770 Ų7073%0.73438%0.381SS*.THydrogen-bonded Turntrans-87.4-9.1179-69.5175.140.900113A67 V68 Y69A67-Q71 WeakPolarHBondContact O-CG 3.45Å; A67-Q71 PolarHBondContact O-N 3.37Å; A67-Q71 PolarHBondContact O-NE2 3.21Å; V68-Q71 PolarHBondContact O-N 3.28Å; Y69-Q71 PolarHBondContact O-N 2.86Å
72L94Very high93.1Very high28 Ų2873.9 Ų73.915%0.14740%0.397CS..SBendtrans-71.7141.9177.2-66.1174.4000111.1Y69 H76 Q77 V83 A86Y69-L72 HydrophobicContact CD2-CD1 4.45Å; Y69-L72 WeakPolarHBondContact O-CB 3.2Å; Y69-L72 PolarHBondContact O-N 2.88Å; Y69-L72 VanDerWaalsContact O-N 3.11Å; L72-H76 HydrophobicContact CB-CB 4.29Å; L72-Q77 HydrophobicContact CB-CG 3.98Å; L72-Q77 PolarHBondContact O-NE2 3.35Å; L72-V83 HydrophobicContact CD1-CG2 4.35Å; L72-A86 HydrophobicContact CD1-CB 3.77Å; L72-A86 HydrophobicContact CD2-CB 3.64Å; L72-A86 HydrophobicContact CG-CB 4.26Å
73P94.3Very high93.1Very high72 Ų7272.7 Ų72.747%0.46839%0.387SS..  trans-52.8145.3168.6-24.833.6000111.5E75 H76 Q77P73-E75 PolarHBondContact O-N 3.3Å; P73-E75 VanDerWaalsContact O-N 3.08Å; P73-H76 WeakPolarHBondContact O-CA 3.49Å; P73-H76 WeakPolarHBondContact O-CB 3.4Å; P73-H76 PolarHBondContact O-N 3.14Å; P73-Q77 PolarHBondContact O-N 3.1Å
74L90.7Very high93.2Very high128 Ų12871.5 Ų71.567%0.6737%0.366SS*.Hα-helixtrans-56.2-29.6180-69.9174.7000113Q77 R78L74-Q77 PolarHBondContact O-N 2.66Å; L74-R78 PolarHBondContact O-N 3.45Å
75E91.6Very high93.2Very high160 Ų16071.6 Ų71.675%0.74836%0.361SS*.Hα-helixtrans-63.8-43.2174.1-61.4177.6-161.400111.7P73 R78P73-E75 PolarHBondContact O-N 3.3Å; P73-E75 VanDerWaalsContact O-N 3.08Å; E75-R78 PolarHBondContact O-N 3.34Å
76H92.2Very high93.2Very high72 Ų7272.6 Ų72.633%0.33337%0.369SS..Hα-helixtrans-73.1-33.2177.3-67.8-178.4000111.9L72 P73 R78 D79 K82 V83L72-H76 HydrophobicContact CB-CB 4.29Å; P73-H76 WeakPolarHBondContact O-CA 3.49Å; P73-H76 WeakPolarHBondContact O-CB 3.4Å; P73-H76 PolarHBondContact O-N 3.14Å; H76-R78 PolarHBondContact O-N 3.12Å; H76-D79 PolarHBondContact O-N 3.05Å; H76-K82 HydrophobicContact CB-CB 3.97Å; H76-V83 VanDerWaalsContact O-CG2 3.3Å; H76-V83 WeakPolarHBondContact O-CG2 3.37Å
77Q91.2Very high93.2Very high38 Ų3868.1 Ų68.118%0.17835%0.35CS..Hα-helixtrans-62.6-20.9176.1-69.9-175.320.400113.1T54 Y69 L72 P73 L74T54-Q77 WeakPolarHBondContact CG2-O 3.37Å; Y69-Q77 HydrophobicContact CE1-CG 4.37Å; Y69-Q77 HydrophobicContact CE2-CB 4.16Å; Y69-Q77 HydrophobicContact CE2-CG 3.95Å; Y69-Q77 PolarHBondContact O-NE2 3.23Å; Y69-Q77 PolarHBondContact OH-OE1 3Å; L72-Q77 HydrophobicContact CB-CG 3.98Å; L72-Q77 PolarHBondContact O-NE2 3.35Å; P73-Q77 PolarHBondContact O-N 3.1Å; L74-Q77 PolarHBondContact O-N 2.66Å
78R89.1Confident93.1Very high214 Ų21470.5 Ų70.581%0.80835%0.351SS*.THydrogen-bonded Turntrans-93.2-3.1176.4-67.7179.1177.6-178.3-0.3113.8L74 E75 H76L74-R78 PolarHBondContact O-N 3.45Å; E75-R78 PolarHBondContact O-N 3.34Å; H76-R78 PolarHBondContact O-N 3.12Å
79D91.9Very high93Very high65 Ų6573.1 Ų73.135%0.34838%0.376SS..  trans-112.5107.8178.6-176.7-16.9000109.7H76 V81 K82 V83H76-D79 PolarHBondContact O-N 3.05Å; D79-V81 PolarHBondContact O-N 2.8Å; D79-V81 VanDerWaalsContact O-N 3.15Å; D79-V81 WeakPolarHBondContact OD1-CB 3.03Å; D79-V81 PolarHBondContact OD1-N 3.31Å; D79-K82 HydrophobicContact CB-CB 4.03Å; D79-K82 HydrophobicContact CB-CG 3.84Å; D79-K82 PolarHBondContact O-N 3.41Å; D79-K82 VanDerWaalsContact O-N 3.11Å; D79-K82 PolarHBondContact OD1-N 3.26Å; D79-K82 WeakPolarHBondContact OD2-CG 3.48Å; D79-V83 WeakPolarHBondContact O-CG2 3.38Å; D79-V83 PolarHBondContact O-N 2.82Å
80A91Very high93Very high20 Ų2074.1 Ų74.117%0.16539%0.391CS..Hα-helixtrans-54.1-34.3178.800000113.1K84A80-K84 WeakPolarHBondContact O-CB 3.28Å; A80-K84 WeakPolarHBondContact O-CD 3.28Å; A80-K84 WeakPolarHBondContact O-CG 3.47Å; A80-K84 PolarHBondContact O-N 3.44Å
81V93.2Very high93Very high86 Ų8673 Ų7352%0.52138%0.378SS..Hα-helixtrans-68.6-47.7179.6-177.20000109.5D79 V83 K84 D85D79-V81 PolarHBondContact O-N 2.8Å; D79-V81 VanDerWaalsContact O-N 3.15Å; D79-V81 WeakPolarHBondContact OD1-CB 3.03Å; D79-V81 PolarHBondContact OD1-N 3.31Å; V81-V83 PolarHBondContact O-N 2.88Å; V81-K84 PolarHBondContact O-N 3.49Å; V81-D85 WeakPolarHBondContact O-CB 3.45Å; V81-D85 PolarHBondContact O-N 2.93Å
82K94.7Very high92.8Very high94 Ų9467.6 Ų67.641%0.40935%0.352SS..Hα-helixtrans-63.3-40.2178.7-63-66.4-179.5-172.10112.6H76 D79 D85 A86H76-K82 HydrophobicContact CB-CB 3.97Å; D79-K82 HydrophobicContact CB-CB 4.03Å; D79-K82 HydrophobicContact CB-CG 3.84Å; D79-K82 PolarHBondContact O-N 3.41Å; D79-K82 VanDerWaalsContact O-N 3.11Å; D79-K82 PolarHBondContact OD1-N 3.26Å; D79-K82 WeakPolarHBondContact OD2-CG 3.48Å; K82-D85 PolarHBondContact O-N 2.96Å; K82-A86 WeakPolarHBondContact O-CB 3.14Å; K82-A86 PolarHBondContact O-N 2.97Å
83V94Very high92.6Very high1 Ų167.6 Ų67.61%0.00635%0.353CS..Hα-helixtrans-62.7-47.8175.3175.60000110.6I57 Y69 L72 H76 D79 V81 D85 A86 L87I57-V83 HydrophobicContact CD1-CG1 4.09Å; I57-V83 HydrophobicContact CG2-CG1 3.85Å; Y69-V83 HydrophobicContact CD2-CG1 3.91Å; Y69-V83 HydrophobicContact CD2-CG2 4.31Å; Y69-V83 HydrophobicContact CE2-CG1 4.21Å; Y69-V83 HydrophobicContact CE2-CG2 4Å; L72-V83 HydrophobicContact CD1-CG2 4.35Å; H76-V83 VanDerWaalsContact O-CG2 3.3Å; H76-V83 WeakPolarHBondContact O-CG2 3.37Å; D79-V83 WeakPolarHBondContact O-CG2 3.38Å; D79-V83 PolarHBondContact O-N 2.82Å; V81-V83 PolarHBondContact O-N 2.88Å; V83-D85 PolarHBondContact O-N 3.43Å; V83-A86 PolarHBondContact O-N 3.37Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.28Å
84K94.3Very high92.4Very high30 Ų3068.1 Ų68.113%0.1335%0.353CS..Hα-helixtrans-61.7-43.2178.4-72.4170.6-167.6177.40111.8L38 E42 I57 A80 V81 L87 R88L38-K84 HydrophobicContact CD1-CB 4.2Å; L38-K84 HydrophobicContact CD1-CG 4.1Å; L38-K84 HydrophobicContact CD2-CG 3.95Å; E42-K84 VanDerWaalsContact OE1-CE 3.27Å; E42-K84 WeakPolarHBondContact OE1-CE 3.49Å; E42-K84 IonicContact OE1-NZ 3.56Å; E42-K84 PolarHBondContact OE1-NZ 3.02Å; I57-K84 HydrophobicContact CD1-CG 4.4Å; A80-K84 WeakPolarHBondContact O-CB 3.28Å; A80-K84 WeakPolarHBondContact O-CD 3.28Å; A80-K84 WeakPolarHBondContact O-CG 3.47Å; A80-K84 PolarHBondContact O-N 3.44Å; V81-K84 PolarHBondContact O-N 3.49Å; K84-L87 PolarHBondContact O-N 3.28Å; K84-R88 WeakPolarHBondContact O-CB 3.34Å; K84-R88 VanDerWaalsContact O-CG 3.3Å; K84-R88 WeakPolarHBondContact O-CG 3.33Å; K84-R88 PolarHBondContact O-N 3.43Å
85D94Very high92.4Very high75 Ų7564.4 Ų64.440%0.40134%0.337SS..Hα-helixtrans-64-41.8178.6-70.8-15.3000111.5V81 K82 V83 R88 A89V81-D85 WeakPolarHBondContact O-CB 3.45Å; V81-D85 PolarHBondContact O-N 2.93Å; K82-D85 PolarHBondContact O-N 2.96Å; V83-D85 PolarHBondContact O-N 3.43Å; D85-R88 PolarHBondContact O-N 2.71Å; D85-A89 VanDerWaalsContact O-CB 3.27Å; D85-A89 WeakPolarHBondContact O-CB 3.23Å; D85-A89 PolarHBondContact O-N 3.48Å
86A94.8Very high92.6Very high21 Ų2164.2 Ų64.217%0.17433%0.334CS..Hα-helixtrans-64.8-42.7176.300000112.7L72 K82 V83 A89 A90L72-A86 HydrophobicContact CD1-CB 3.77Å; L72-A86 HydrophobicContact CD2-CB 3.64Å; L72-A86 HydrophobicContact CG-CB 4.26Å; K82-A86 WeakPolarHBondContact O-CB 3.14Å; K82-A86 PolarHBondContact O-N 2.97Å; V83-A86 PolarHBondContact O-N 3.37Å; A86-A89 PolarHBondContact O-N 3.43Å; A86-A90 WeakPolarHBondContact O-CB 3.5Å; A86-A90 PolarHBondContact O-N 2.82Å; A86-A90 VanDerWaalsContact O-N 3.07Å
87L94.1Very high92.6Very high0 Ų063.2 Ų63.20%033%0.333CS..Hα-helixtrans-65.8-42.7176.7-70.1171.5000111.4I34 I57 L61 A65 V83 K84 A90 F91I34-L87 HydrophobicContact CD1-CB 4.05Å; I34-L87 HydrophobicContact CD1-CD1 4.38Å; I34-L87 HydrophobicContact CG1-CB 4.02Å; I57-L87 HydrophobicContact CG2-CD1 3.94Å; L61-L87 HydrophobicContact CD1-CD1 4.18Å; L61-L87 HydrophobicContact CD1-CD2 4.06Å; L61-L87 HydrophobicContact CD2-CD1 4.23Å; L61-L87 HydrophobicContact CD2-CD2 4.3Å; A65-L87 HydrophobicContact CB-CD2 4.45Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.28Å; K84-L87 PolarHBondContact O-N 3.28Å; L87-A90 PolarHBondContact O-N 2.7Å; L87-F91 HydrophobicContact CD2-CD2 4.36Å; L87-F91 HydrophobicContact CD2-CE2 4.16Å; L87-F91 WeakPolarHBondContact O-CD2 3.28Å; L87-F91 PolarHBondContact O-N 3.02Å
88R93.2Very high92.7Very high87 Ų8761.4 Ų61.433%0.32833%0.325SS..Hα-helixtrans-61.8-45.3173.8-75.2173.2174.5160.20.9111.2I34 L38 K84 D85 A90 F91 E92I34-R88 HydrophobicContact CG2-CG 4.41Å; L38-R88 HydrophobicContact CD1-CG 4.18Å; K84-R88 WeakPolarHBondContact O-CB 3.34Å; K84-R88 VanDerWaalsContact O-CG 3.3Å; K84-R88 WeakPolarHBondContact O-CG 3.33Å; K84-R88 PolarHBondContact O-N 3.43Å; D85-R88 PolarHBondContact O-N 2.71Å; R88-A90 PolarHBondContact O-N 3.37Å; R88-F91 PolarHBondContact O-N 2.9Å; R88-E92 HydrophobicContact CB-CB 4.28Å; R88-E92 WeakPolarHBondContact O-CA 3.37Å; R88-E92 WeakPolarHBondContact O-CB 3.35Å; R88-E92 PolarHBondContact O-N 3.48Å
89A92.4Very high93.1Very high92 Ų9257.3 Ų57.376%0.7631%0.31SS*.Hα-helixtrans-60.3-31.8177.700000113.1D85 A86D85-A89 VanDerWaalsContact O-CB 3.27Å; D85-A89 WeakPolarHBondContact O-CB 3.23Å; D85-A89 PolarHBondContact O-N 3.48Å; A86-A89 PolarHBondContact O-N 3.43Å
90A93.1Very high93.2Very high51 Ų5160.5 Ų60.542%0.42132%0.323SS..Hα-helixtrans-86.1-34.7-179.100000114.4V68 A86 L87 R88V68-A90 HydrophobicContact CB-CB 4.45Å; V68-A90 HydrophobicContact CG1-CB 3.98Å; V68-A90 HydrophobicContact CG2-CB 3.76Å; A86-A90 WeakPolarHBondContact O-CB 3.5Å; A86-A90 PolarHBondContact O-N 2.82Å; A86-A90 VanDerWaalsContact O-N 3.07Å; L87-A90 PolarHBondContact O-N 2.7Å; R88-A90 PolarHBondContact O-N 3.37Å
91F93.9Very high93.4Very high43 Ų4365.2 Ų65.219%0.18934%0.336CS..Hα-helixtrans-126.2-10.7-168.6-56.5-72.5000115.4Y26 I34 S64 A65 V68 L87 R88Y26-F91 HydrophobicContact CE1-CB 4.4Å; Y26-F91 HydrophobicContact CE1-CD2 4.07Å; Y26-F91 HydrophobicContact CE1-CG 4.14Å; Y26-F91 VanDerWaalsContact OH-CB 3.27Å; Y26-F91 WeakPolarHBondContact OH-CB 3.29Å; I34-F91 HydrophobicContact CB-CB 4.16Å; I34-F91 HydrophobicContact CG2-CB 4.09Å; S64-F91 VanDerWaalsContact C-CZ 3.48Å; S64-F91 WeakPolarHBondContact O-CZ 3.33Å; A65-F91 VanDerWaalsContact CA-CE2 3.48Å; A65-F91 VanDerWaalsContact CA-CZ 3.45Å; A65-F91 HydrophobicContact CB-CD2 4.46Å; A65-F91 HydrophobicContact CB-CE2 3.83Å; A65-F91 HydrophobicContact CB-CZ 4.04Å; V68-F91 HydrophobicContact CB-CE2 4.1Å; V68-F91 HydrophobicContact CB-CZ 4.42Å; V68-F91 HydrophobicContact CG2-CE2 3.73Å; V68-F91 HydrophobicContact CG2-CZ 3.65Å; L87-F91 HydrophobicContact CD2-CD2 4.36Å; L87-F91 HydrophobicContact CD2-CE2 4.16Å; L87-F91 WeakPolarHBondContact O-CD2 3.28Å; L87-F91 PolarHBondContact O-N 3.02Å; R88-F91 PolarHBondContact O-N 2.9Å
92E91.4Very high93.6Very high42 Ų4262.1 Ų62.120%0.19632%0.316CS..SBendtrans-68.3145.1177.9-161.864.5-116.300110.1I34 S35 R88 D94 L126I34-E92 HydrophobicContact CG2-CB 3.98Å; I34-E92 WeakPolarHBondContact CG2-OE2 3.36Å; S35-E92 VanDerWaalsContact CB-OE2 3.3Å; S35-E92 WeakPolarHBondContact CB-OE2 3.49Å; S35-E92 PolarHBondContact N-OE2 3.43Å; S35-E92 PolarHBondContact OG-OE2 3.35Å; R88-E92 HydrophobicContact CB-CB 4.28Å; R88-E92 WeakPolarHBondContact O-CA 3.37Å; R88-E92 WeakPolarHBondContact O-CB 3.35Å; R88-E92 PolarHBondContact O-N 3.48Å; E92-D94 PolarHBondContact O-N 3.45Å; E92-L126 HydrophobicContact CG-CD2 3.86Å; E92-L126 WeakPolarHBondContact OE1-CD2 3.48Å
93V89.4Confident93.7Very high28 Ų2861.4 Ų61.417%0.1732%0.319CS..PPolyproline II helixtrans-67.6127176.1-178.40000108.3V97 A98 L126V93-V97 HydrophobicContact CG1-CB 3.7Å; V93-V97 HydrophobicContact CG1-CG1 3.56Å; V93-A98 HydrophobicContact CG1-CB 4.26Å; V93-L126 HydrophobicContact CB-CD1 4.26Å
94D90.4Very high93.8Very high84 Ų8465.2 Ų65.245%0.44935%0.346SS..PPolyproline II helixtrans-52.4144.4174.5172-96.9000111.9E92 F96 V97 A98E92-D94 PolarHBondContact O-N 3.45Å; D94-F96 VanDerWaalsContact C-N 3.27Å; D94-F96 PolarHBondContact O-N 3.33Å; D94-F96 WeakPolarHBondContact OD1-CA 3.38Å; D94-F96 VanDerWaalsContact OD1-CB 3.24Å; D94-F96 WeakPolarHBondContact OD1-CB 3.45Å; D94-F96 VanDerWaalsContact OD1-CD2 3.29Å; D94-F96 WeakPolarHBondContact OD1-CD2 3.42Å; D94-F96 PolarHBondContact OD1-N 3.33Å; D94-V97 HydrophobicContact CB-CG2 4.27Å; D94-V97 CarbonylContact O-C 3.6Å; D94-V97 PolarHBondContact O-N 2.64Å; D94-V97 VanDerWaalsContact O-N 3.08Å; D94-A98 WeakPolarHBondContact O-CB 3.47Å; D94-A98 PolarHBondContact O-N 3Å
95S91.5Very high93.9Very high50 Ų5065 Ų6535%0.3535%0.345SS..Hα-helixtrans-55.6-37.1-175.964.70000113.7A98 Y99S95-A98 PolarHBondContact O-N 2.92Å; S95-Y99 WeakPolarHBondContact O-CB 3.33Å; S95-Y99 PolarHBondContact O-N 3.06Å
96F94.1Very high94Very high155 Ų15566.9 Ų66.968%0.6835%0.349SS*.Hα-helixtrans-69.6-44.8177.8-62.1-82.1000110.6D94 A98 Y99 E100D94-F96 VanDerWaalsContact C-N 3.27Å; D94-F96 PolarHBondContact O-N 3.33Å; D94-F96 WeakPolarHBondContact OD1-CA 3.38Å; D94-F96 VanDerWaalsContact OD1-CB 3.24Å; D94-F96 WeakPolarHBondContact OD1-CB 3.45Å; D94-F96 VanDerWaalsContact OD1-CD2 3.29Å; D94-F96 WeakPolarHBondContact OD1-CD2 3.42Å; D94-F96 PolarHBondContact OD1-N 3.33Å; F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.09Å; F96-Y99 PolarHBondContact O-N 3.27Å; F96-E100 WeakPolarHBondContact O-CG 3.35Å; F96-E100 PolarHBondContact O-N 3.04Å
97V93.1Very high94Very high52 Ų5266.7 Ų66.732%0.31535%0.345SS..Hα-helixtrans-64.6-37.5175.9-179.60000111.1V93 D94 E100 R101V93-V97 HydrophobicContact CG1-CB 3.7Å; V93-V97 HydrophobicContact CG1-CG1 3.56Å; D94-V97 HydrophobicContact CB-CG2 4.27Å; D94-V97 CarbonylContact O-C 3.6Å; D94-V97 PolarHBondContact O-N 2.64Å; D94-V97 VanDerWaalsContact O-N 3.08Å; V97-E100 PolarHBondContact O-N 3.1Å; V97-R101 WeakPolarHBondContact O-CB 2.8Å; V97-R101 VanDerWaalsContact O-CG 3.29Å; V97-R101 WeakPolarHBondContact O-CG 3.29Å; V97-R101 PolarHBondContact O-N 2.7Å
98A93.3Very high94Very high0 Ų072.7 Ų72.70%037%0.371CS..Hα-helixtrans-63.2-42.7175.300000111.4V93 D94 S95 F96 R101 F102 L126 F127V93-A98 HydrophobicContact CG1-CB 4.26Å; D94-A98 WeakPolarHBondContact O-CB 3.47Å; D94-A98 PolarHBondContact O-N 3Å; S95-A98 PolarHBondContact O-N 2.92Å; F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.09Å; A98-R101 PolarHBondContact O-N 2.91Å; A98-F102 WeakPolarHBondContact O-CB 3.48Å; A98-F102 PolarHBondContact O-N 3.28Å; A98-L126 HydrophobicContact CB-CB 3.63Å; A98-L126 HydrophobicContact CB-CD1 4.12Å; A98-F127 HydrophobicContact CB-CD1 4.23Å
99Y96.6Very high93.7Very high128 Ų12874.2 Ų74.250%0.50239%0.392SS..Hα-helixtrans-64.2-44.3174.2179.1-101.9000112.2S95 F96 R101 F102 V103 F127S95-Y99 WeakPolarHBondContact O-CB 3.33Å; S95-Y99 PolarHBondContact O-N 3.06Å; F96-Y99 PolarHBondContact O-N 3.27Å; Y99-R101 VanDerWaalsContact C-N 3.33Å; Y99-R101 PolarHBondContact O-N 3.18Å; Y99-F102 WeakPolarHBondContact O-CB 3.49Å; Y99-F102 PolarHBondContact O-N 2.96Å; Y99-F102 VanDerWaalsContact O-N 3.14Å; Y99-V103 HydrophobicContact CD1-CG2 4.33Å; Y99-V103 HydrophobicContact CD2-CG2 4.28Å; Y99-V103 HydrophobicContact CE1-CG2 3.88Å; Y99-V103 HydrophobicContact CE2-CG2 3.81Å; Y99-V103 WeakPolarHBondContact O-CG2 3.32Å; Y99-V103 PolarHBondContact O-N 3.31Å; Y99-F127 HydrophobicContact CD2-CD2 4.34Å; Y99-F127 HydrophobicContact CD2-CE1 4.41Å; Y99-F127 HydrophobicContact CD2-CE2 4.09Å; Y99-F127 HydrophobicContact CD2-CZ 4.13Å
100E95.6Very high93.5Very high131 Ų13177.2 Ų77.261%0.61240%0.396SS*.Hα-helixtrans-58.6-44.8175.1-74.1-177.1164.300111.9F96 V97 F102 V103 S104F96-E100 WeakPolarHBondContact O-CG 3.35Å; F96-E100 PolarHBondContact O-N 3.04Å; V97-E100 PolarHBondContact O-N 3.1Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-V103 PolarHBondContact O-N 3.37Å; E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 2.86Å; E100-S104 PolarHBondContact O-OG 3.29Å
101R95.2Very high93.5Very high120 Ų12076 Ų7645%0.45338%0.381SS..Hα-helixtrans-62.9-40.5174.7-73.2177.2-174.5-171.74.6111.6V97 A98 Y99 S104 R105 L123V97-R101 WeakPolarHBondContact O-CB 2.8Å; V97-R101 VanDerWaalsContact O-CG 3.29Å; V97-R101 WeakPolarHBondContact O-CG 3.29Å; V97-R101 PolarHBondContact O-N 2.7Å; A98-R101 PolarHBondContact O-N 2.91Å; Y99-R101 VanDerWaalsContact C-N 3.33Å; Y99-R101 PolarHBondContact O-N 3.18Å; R101-S104 WeakPolarHBondContact CA-OG 3.4Å; R101-S104 PolarHBondContact O-OG 2.99Å; R101-R105 WeakPolarHBondContact O-CB 3.36Å; R101-R105 PolarHBondContact O-N 2.95Å; R101-L123 HydrophobicContact CB-CD1 4.06Å; R101-L123 HydrophobicContact CB-CD2 3.79Å
102F96.8Very high93.5Very high20 Ų2079.7 Ų79.79%0.08840%0.399CS..Hα-helixtrans-61.8-48.8178.1177.7-96.2000111.8A98 Y99 E100 R105 L120 L123 A124 F127 V130 L135 A138A98-F102 WeakPolarHBondContact O-CB 3.48Å; A98-F102 PolarHBondContact O-N 3.28Å; Y99-F102 WeakPolarHBondContact O-CB 3.49Å; Y99-F102 PolarHBondContact O-N 2.96Å; Y99-F102 VanDerWaalsContact O-N 3.14Å; E100-F102 VanDerWaalsContact C-N 3.34Å; F102-R105 PolarHBondContact O-N 3.23Å; F102-L120 HydrophobicContact CD2-CD2 3.84Å; F102-L120 HydrophobicContact CE2-CB 4.17Å; F102-L120 HydrophobicContact CE2-CD2 3.89Å; F102-L120 WeakPolarHBondContact CE2-O 3.33Å; F102-L123 HydrophobicContact CB-CB 4.03Å; F102-L123 HydrophobicContact CD2-CB 4.1Å; F102-A124 HydrophobicContact CD2-CB 4.34Å; F102-A124 HydrophobicContact CE2-CB 4.04Å; F102-F127 HydrophobicContact CB-CE1 3.69Å; F102-F127 HydrophobicContact CB-CZ 4.17Å; F102-F127 HydrophobicContact CD1-CE1 4.25Å; F102-F127 AromaticContact CD1-CZ 3.84Å; F102-F127 HydrophobicContact CD1-CZ 3.84Å; F102-F127 HydrophobicContact CD2-CE1 4.12Å; F102-F127 HydrophobicContact CD2-CZ 4.12Å; F102-F127 HydrophobicContact CE1-CZ 4.23Å; F102-F127 HydrophobicContact CE2-CZ 4.49Å; F102-F127 AromaticContact CG-CE1 3.77Å; F102-F127 HydrophobicContact CG-CE1 3.77Å; F102-F127 AromaticContact CG-CZ 3.78Å; F102-F127 HydrophobicContact CG-CZ 3.78Å; F102-V130 HydrophobicContact CE2-CG2 4.39Å; F102-V130 HydrophobicContact CZ-CG2 4.04Å; F102-L135 HydrophobicContact CE2-CD2 3.98Å; F102-L135 HydrophobicContact CZ-CD2 4.33Å; F102-A138 HydrophobicContact CE1-CB 3.84Å; F102-A138 HydrophobicContact CE2-CB 4.15Å; F102-A138 HydrophobicContact CZ-CB 3.44Å; F102-A138 VanDerWaalsContact CZ-CB 3.44Å
103V96.1Very high93.7Very high80 Ų8077.7 Ų77.749%0.48539%0.39SS..Hα-helixtrans-70.2-36.8-178.2175.90000112Y99 E100 R105Y99-V103 HydrophobicContact CD1-CG2 4.33Å; Y99-V103 HydrophobicContact CD2-CG2 4.28Å; Y99-V103 HydrophobicContact CE1-CG2 3.88Å; Y99-V103 HydrophobicContact CE2-CG2 3.81Å; Y99-V103 WeakPolarHBondContact O-CG2 3.32Å; Y99-V103 PolarHBondContact O-N 3.31Å; E100-V103 PolarHBondContact O-N 3.37Å; V103-R105 VanDerWaalsContact C-N 3.33Å
104S96Very high94Very high81 Ų8179.8 Ų79.857%0.56640%0.4SS*.Hα-helixtrans-80.7-10.9-179.861.30000113.9E100 R101 K106E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 2.86Å; E100-S104 PolarHBondContact O-OG 3.29Å; R101-S104 WeakPolarHBondContact CA-OG 3.4Å; R101-S104 PolarHBondContact O-OG 2.99Å; S104-K106 PolarHBondContact O-N 3.3Å
105R96.3Very high94.2Very high26 Ų2678.9 Ų78.910%0.09840%0.4CS..  trans-63.8121.5-174.3-169.161.7161.878.78.5112.1R101 F102 V103 E111 F116 D119 L120 G142R101-R105 WeakPolarHBondContact O-CB 3.36Å; R101-R105 PolarHBondContact O-N 2.95Å; F102-R105 PolarHBondContact O-N 3.23Å; V103-R105 VanDerWaalsContact C-N 3.33Å; R105-E111 IonicContact CZ-OE1 2.7Å; R105-E111 IonicContact CZ-OE2 2.82Å; R105-E111 IonicContact NH1-OE1 2.71Å; R105-E111 IonicContact NH1-OE2 3.28Å; R105-E111 PolarHBondContact NH1-OE2 3.21Å; R105-E111 VanDerWaalsContact NH2-CD 3.33Å; R105-E111 IonicContact NH2-OE1 3.4Å; R105-E111 PolarHBondContact NH2-OE1 2.81Å; R105-E111 IonicContact NH2-OE2 3.41Å; R105-E111 PolarHBondContact NH2-OE2 3.45Å; R105-F116 HydrophobicContact CB-CE2 4.21Å; R105-F116 HydrophobicContact CG-CD2 3.88Å; R105-F116 HydrophobicContact CG-CE2 3.42Å; R105-F116 VanDerWaalsContact CG-CE2 3.42Å; R105-D119 IonicContact CZ-OD2 3.74Å; R105-D119 VanDerWaalsContact CZ-OD2 3.27Å; R105-D119 IonicContact NE-OD2 2.78Å; R105-D119 PolarHBondContact NE-OD2 3.27Å; R105-D119 IonicContact NH2-OD2 3.22Å; R105-D119 PolarHBondContact NH2-OD2 2.96Å; R105-L120 HydrophobicContact CB-CD2 3.95Å; R105-L120 HydrophobicContact CG-CD2 4.16Å; R105-G142 WeakPolarHBondContact O-CA 3.05Å
106K96.5Very high94.4Very high113 Ų11376.5 Ų76.549%0.49138%0.384SS..  trans-114.6147.1169.4-56.8-53179.8-1620110.1S104 K108 A141 G142S104-K106 PolarHBondContact O-N 3.3Å; K106-K108 PolarHBondContact O-N 3.2Å; K106-A141 PolarHBondContact NZ-O 2.86Å; K106-G142 WeakPolarHBondContact CA-O 3.47Å
107L95.2Very high94.6Very high17 Ų1769.4 Ų69.49%0.08935%0.353CS..PPolyproline II helixtrans-56.1123.3172.2-178.471.1000109.2E111 F116 G142 L143 L173L107-E111 HydrophobicContact CD1-CB 3.92Å; L107-E111 HydrophobicContact CD1-CG 3.89Å; L107-F116 HydrophobicContact CB-CD1 4.08Å; L107-F116 HydrophobicContact CB-CE1 4.36Å; L107-F116 HydrophobicContact CB-CG 4.41Å; L107-F116 HydrophobicContact CD1-CB 3.49Å; L107-F116 VanDerWaalsContact CD1-CB 3.49Å; L107-F116 HydrophobicContact CD1-CD1 3.8Å; L107-F116 HydrophobicContact CD1-CG 3.81Å; L107-G142 PolarHBondContact N-O 2.53Å; L107-L143 HydrophobicContact CB-CD2 4.31Å; L107-L143 HydrophobicContact CD2-CD2 3.77Å; L107-L173 HydrophobicContact CD2-CD1 3.63Å; L107-L173 HydrophobicContact CD2-CD2 4.14Å
108K93.3Very high94.7Very high126 Ų12669.5 Ų69.555%0.54836%0.359SS..PPolyproline II helixtrans-74.7153.6179.8-63.4171.9-175.1173.50110.4K106 N110 E111K106-K108 PolarHBondContact O-N 3.2Å; K108-N110 PolarHBondContact O-N 2.78Å; K108-E111 HydrophobicContact CB-CB 3.93Å; K108-E111 PolarHBondContact N-OE2 2.79Å; K108-E111 WeakPolarHBondContact O-CB 3.39Å; K108-E111 PolarHBondContact O-N 2.72Å
109P87.8Confident94.7Very high120 Ų12071 Ų7178%0.77937%0.367SS*.THydrogen-bonded Turntrans-54.4129.2168.7-22.533.3000110.1E111P109-E111 VanDerWaalsContact C-N 3.26Å; P109-E111 PolarHBondContact O-N 3.36Å
110N87.8Confident94.7Very high155 Ų15565 Ų6583%0.82934%0.343SS*.THydrogen-bonded Turntrans698.8-177.3-48.9-40.4000116.6K108K108-N110 PolarHBondContact O-N 2.78Å
111E93.5Very high94.7Very high25 Ų2564.1 Ų64.112%0.11734%0.335CS..  trans-80.1138.5172.1178.8173.2-151.100111.2R105 L107 K108 P109 S115 F116R105-E111 IonicContact CZ-OE1 2.7Å; R105-E111 IonicContact CZ-OE2 2.82Å; R105-E111 IonicContact NH1-OE1 2.71Å; R105-E111 IonicContact NH1-OE2 3.28Å; R105-E111 PolarHBondContact NH1-OE2 3.21Å; R105-E111 VanDerWaalsContact NH2-CD 3.33Å; R105-E111 IonicContact NH2-OE1 3.4Å; R105-E111 PolarHBondContact NH2-OE1 2.81Å; R105-E111 IonicContact NH2-OE2 3.41Å; R105-E111 PolarHBondContact NH2-OE2 3.45Å; L107-E111 HydrophobicContact CD1-CB 3.92Å; L107-E111 HydrophobicContact CD1-CG 3.89Å; K108-E111 HydrophobicContact CB-CB 3.93Å; K108-E111 PolarHBondContact N-OE2 2.79Å; K108-E111 WeakPolarHBondContact O-CB 3.39Å; K108-E111 PolarHBondContact O-N 2.72Å; P109-E111 VanDerWaalsContact C-N 3.26Å; P109-E111 PolarHBondContact O-N 3.36Å; E111-S115 PolarHBondContact OE1-OG 3.36Å; E111-F116 HydrophobicContact CG-CB 4.18Å; E111-F116 WeakPolarHBondContact OE1-CA 3.12Å; E111-F116 PolarHBondContact OE1-N 2.89Å
112Q93.5Very high94.6Very high120 Ų12060.6 Ų60.656%0.56132%0.321SS*.  trans-76.8143.1174.9-67.4-61.6-5400111.1D114 S115 F116Q112-D114 PolarHBondContact O-N 2.96Å; Q112-S115 WeakPolarHBondContact O-CB 3.44Å; Q112-S115 PolarHBondContact O-N 3.42Å; Q112-F116 PolarHBondContact O-N 2.88Å
113P94.9Very high94.5Very high1 Ų159.8 Ų59.81%0.00632%0.318CS..Hα-helixtrans-46.8-44.3173.4-36.842.7000114.5S115 F116 L117 F139 V166 A169 R170 L173P113-S115 PolarHBondContact O-N 2.89Å; P113-F116 PolarHBondContact O-N 3.49Å; P113-L117 WeakPolarHBondContact O-CB 3.36Å; P113-L117 PolarHBondContact O-N 3.1Å; P113-F139 HydrophobicContact CB-CE2 4.39Å; P113-F139 HydrophobicContact CB-CZ 4Å; P113-F139 WeakPolarHBondContact O-CE2 3.4Å; P113-V166 HydrophobicContact CB-CG1 4.03Å; P113-A169 HydrophobicContact CB-CB 4.44Å; P113-A169 HydrophobicContact CG-CB 4.27Å; P113-R170 HydrophobicContact CB-CG 3.88Å; P113-R170 HydrophobicContact CG-CB 4.47Å; P113-R170 HydrophobicContact CG-CG 3.75Å; P113-L173 HydrophobicContact CG-CD1 3.46Å; P113-L173 VanDerWaalsContact CG-CD1 3.46Å
114D96Very high94.5Very high72 Ų7256.1 Ų56.139%0.38530%0.296SS..Hα-helixtrans-65.2-39.1180-60.7-81.8000112.2Q112 L117 A118 R170Q112-D114 PolarHBondContact O-N 2.96Å; D114-L117 PolarHBondContact O-N 3.42Å; D114-A118 WeakPolarHBondContact O-CB 3.44Å; D114-A118 PolarHBondContact O-N 2.83Å; D114-R170 IonicContact OD1-CZ 3.94Å; D114-R170 IonicContact OD1-NH1 2.86Å; D114-R170 PolarHBondContact OD1-NH1 3.05Å; D114-R170 WeakPolarHBondContact OD2-CD 3.47Å; D114-R170 IonicContact OD2-CZ 3.77Å; D114-R170 IonicContact OD2-NE 3.94Å; D114-R170 IonicContact OD2-NH1 2.85Å; D114-R170 PolarHBondContact OD2-NH1 3.22Å
115S94.9Very high94.3Very high65 Ų6556 Ų5646%0.45530%0.295SS..Hα-helixtrans-64.6-44.7175.5178.60000111.1E111 Q112 P113 L117 A118 D119E111-S115 PolarHBondContact OE1-OG 3.36Å; Q112-S115 WeakPolarHBondContact O-CB 3.44Å; Q112-S115 PolarHBondContact O-N 3.42Å; P113-S115 PolarHBondContact O-N 2.89Å; S115-L117 PolarHBondContact O-N 2.88Å; S115-A118 PolarHBondContact O-N 3.3Å; S115-D119 PolarHBondContact O-N 3.5Å
116F96.6Very high94.1Very high0 Ų056.3 Ų56.30%030%0.299CS..Hα-helixtrans-62.7-43.5177.3170.2-136.8000111.6R105 L107 E111 Q112 P113 D119 L120 F139 L143R105-F116 HydrophobicContact CB-CE2 4.21Å; R105-F116 HydrophobicContact CG-CD2 3.88Å; R105-F116 HydrophobicContact CG-CE2 3.42Å; R105-F116 VanDerWaalsContact CG-CE2 3.42Å; L107-F116 HydrophobicContact CB-CD1 4.08Å; L107-F116 HydrophobicContact CB-CE1 4.36Å; L107-F116 HydrophobicContact CB-CG 4.41Å; L107-F116 HydrophobicContact CD1-CB 3.49Å; L107-F116 VanDerWaalsContact CD1-CB 3.49Å; L107-F116 HydrophobicContact CD1-CD1 3.8Å; L107-F116 HydrophobicContact CD1-CG 3.81Å; E111-F116 HydrophobicContact CG-CB 4.18Å; E111-F116 WeakPolarHBondContact OE1-CA 3.12Å; E111-F116 PolarHBondContact OE1-N 2.89Å; Q112-F116 PolarHBondContact O-N 2.88Å; P113-F116 PolarHBondContact O-N 3.49Å; F116-D119 PolarHBondContact O-N 3.4Å; F116-L120 HydrophobicContact CD2-CD1 4.29Å; F116-L120 HydrophobicContact CD2-CG 4.14Å; F116-L120 HydrophobicContact CE1-CD1 4.19Å; F116-L120 HydrophobicContact CE2-CD1 3.59Å; F116-L120 HydrophobicContact CE2-CD2 3.93Å; F116-L120 HydrophobicContact CE2-CG 3.59Å; F116-L120 HydrophobicContact CZ-CD1 3.55Å; F116-L120 HydrophobicContact CZ-CD2 4.43Å; F116-L120 HydrophobicContact CZ-CG 4.09Å; F116-L120 PolarHBondContact O-N 3.4Å; F116-F139 AromaticContact CD1-CD2 3.58Å; F116-F139 HydrophobicContact CD1-CD2 3.58Å; F116-F139 AromaticContact CD1-CE2 3.47Å; F116-F139 HydrophobicContact CD1-CE2 3.47Å; F116-F139 VanDerWaalsContact CD1-CE2 3.47Å; F116-F139 HydrophobicContact CD1-CZ 4.35Å; F116-F139 AromaticContact CE1-CD2 3.61Å; F116-F139 HydrophobicContact CE1-CD2 3.61Å; F116-F139 AromaticContact CE1-CE2 3.93Å; F116-F139 HydrophobicContact CE1-CE2 3.93Å; F116-F139 HydrophobicContact CE1-CG 4.17Å; F116-F139 WeakPolarHBondContact CE1-O 3.33Å; F116-F139 HydrophobicContact CG-CD2 4.47Å; F116-F139 HydrophobicContact CG-CE2 4.38Å; F116-F139 HydrophobicContact CZ-CD2 4.49Å; F116-L143 HydrophobicContact CD1-CD2 4.48Å; F116-L143 HydrophobicContact CE1-CD2 4.37Å
117L97Very high93.9Very high5 Ų553.3 Ų53.33%0.02629%0.286CS..Hα-helixtrans-65.4-40.1176-178.361.2000112.5P113 D114 S115 D119 L120 R121 F139 L162 V166P113-L117 WeakPolarHBondContact O-CB 3.36Å; P113-L117 PolarHBondContact O-N 3.1Å; D114-L117 PolarHBondContact O-N 3.42Å; S115-L117 PolarHBondContact O-N 2.88Å; L117-D119 VanDerWaalsContact C-N 3.29Å; L117-D119 PolarHBondContact O-N 3.49Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-R121 WeakPolarHBondContact O-CG 3.29Å; L117-R121 PolarHBondContact O-N 3.14Å; L117-F139 HydrophobicContact CB-CD2 4.02Å; L117-F139 HydrophobicContact CB-CE2 4.12Å; L117-F139 HydrophobicContact CD1-CD2 4.16Å; L117-L162 HydrophobicContact CD1-CD1 3.89Å; L117-L162 HydrophobicContact CD1-CD2 4.07Å; L117-L162 HydrophobicContact CD1-CG 4.35Å; L117-L162 HydrophobicContact CD2-CD1 4.13Å; L117-L162 HydrophobicContact CD2-CD2 4.06Å; L117-L162 HydrophobicContact CD2-CG 3.97Å; L117-V166 HydrophobicContact CD2-CG2 3.54Å
118A95Very high93.8Very high54 Ų5456.2 Ų56.245%0.44632%0.319SS..Hα-helixtrans-59.4-43176.500000111.2D114 S115 R121 R122D114-A118 WeakPolarHBondContact O-CB 3.44Å; D114-A118 PolarHBondContact O-N 2.83Å; S115-A118 PolarHBondContact O-N 3.3Å; A118-R121 PolarHBondContact O-N 2.98Å; A118-R122 WeakPolarHBondContact O-CB 3.43Å; A118-R122 PolarHBondContact O-N 2.93Å
119D94.1Very high93.8Very high32 Ų3252 Ų5217%0.17131%0.311CS..Hα-helixtrans-66-39.2176.6-166.441000112.3R105 S115 F116 L117 R122 L123R105-D119 IonicContact CZ-OD2 3.74Å; R105-D119 VanDerWaalsContact CZ-OD2 3.27Å; R105-D119 IonicContact NE-OD2 2.78Å; R105-D119 PolarHBondContact NE-OD2 3.27Å; R105-D119 IonicContact NH2-OD2 3.22Å; R105-D119 PolarHBondContact NH2-OD2 2.96Å; S115-D119 PolarHBondContact O-N 3.5Å; F116-D119 PolarHBondContact O-N 3.4Å; L117-D119 VanDerWaalsContact C-N 3.29Å; L117-D119 PolarHBondContact O-N 3.49Å; D119-R122 PolarHBondContact O-N 3.37Å; D119-R122 IonicContact OD1-CZ 3.6Å; D119-R122 IonicContact OD1-NE 3.27Å; D119-R122 PolarHBondContact OD1-NE 3.42Å; D119-R122 IonicContact OD1-NH2 3.68Å; D119-R122 PolarHBondContact OD1-NH2 2.9Å; D119-L123 WeakPolarHBondContact O-CB 3.45Å; D119-L123 WeakPolarHBondContact O-CG 3.35Å; D119-L123 PolarHBondContact O-N 2.99Å
120L96.7Very high94.2Very high1 Ų148.6 Ų48.61%0.00529%0.289CS..Hα-helixtrans-61.6-43.8172.4-75177.5000112.4F102 R105 F116 L117 R122 L123 A124 L135 A138 F139F102-L120 HydrophobicContact CD2-CD2 3.84Å; F102-L120 HydrophobicContact CE2-CB 4.17Å; F102-L120 HydrophobicContact CE2-CD2 3.89Å; F102-L120 WeakPolarHBondContact CE2-O 3.33Å; R105-L120 HydrophobicContact CB-CD2 3.95Å; R105-L120 HydrophobicContact CG-CD2 4.16Å; F116-L120 HydrophobicContact CD2-CD1 4.29Å; F116-L120 HydrophobicContact CD2-CG 4.14Å; F116-L120 HydrophobicContact CE1-CD1 4.19Å; F116-L120 HydrophobicContact CE2-CD1 3.59Å; F116-L120 HydrophobicContact CE2-CD2 3.93Å; F116-L120 HydrophobicContact CE2-CG 3.59Å; F116-L120 HydrophobicContact CZ-CD1 3.55Å; F116-L120 HydrophobicContact CZ-CD2 4.43Å; F116-L120 HydrophobicContact CZ-CG 4.09Å; F116-L120 PolarHBondContact O-N 3.4Å; L117-L120 PolarHBondContact O-N 2.94Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 2.82Å; L120-L123 PolarHBondContact O-N 3.03Å; L120-A124 VanDerWaalsContact O-CB 3.29Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 2.84Å; L120-L135 HydrophobicContact CB-CD2 4.3Å; L120-A138 HydrophobicContact CD1-CB 4.27Å; L120-A138 HydrophobicContact CD2-CB 4.43Å; L120-F139 HydrophobicContact CD1-CB 3.99Å; L120-F139 HydrophobicContact CD1-CD2 4.34Å
121R96Very high94.5Very high114 Ų11444.8 Ų44.843%0.4327%0.274SS..Hα-helixtrans-61.8-42.8176.8-75.6-178.6178.7131.6-6111.3L117 A118 A124 S125 L135L117-R121 WeakPolarHBondContact O-CG 3.29Å; L117-R121 PolarHBondContact O-N 3.14Å; A118-R121 PolarHBondContact O-N 2.98Å; R121-A124 WeakPolarHBondContact O-CB 3.39Å; R121-A124 PolarHBondContact O-N 3.34Å; R121-S125 PolarHBondContact O-N 3.28Å; R121-L135 HydrophobicContact CG-CD1 3.87Å; R121-L135 HydrophobicContact CG-CD2 4.31Å
122R92.9Very high94.5Very high46 Ų4649 Ų4917%0.17429%0.294CS..Hα-helixtrans-63.7-47.1177.2-175.3-171.264.877-1.6111.9E36 A118 D119 L120 A124 S125 L126E36-R122 WeakPolarHBondContact OE1-CD 3.25Å; E36-R122 IonicContact OE1-CZ 2.96Å; E36-R122 IonicContact OE1-NE 2.61Å; E36-R122 PolarHBondContact OE1-NE 3.1Å; A118-R122 WeakPolarHBondContact O-CB 3.43Å; A118-R122 PolarHBondContact O-N 2.93Å; D119-R122 PolarHBondContact O-N 3.37Å; D119-R122 IonicContact OD1-CZ 3.6Å; D119-R122 IonicContact OD1-NE 3.27Å; D119-R122 PolarHBondContact OD1-NE 3.42Å; D119-R122 IonicContact OD1-NH2 3.68Å; D119-R122 PolarHBondContact OD1-NH2 2.9Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 2.82Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.36Å; R122-S125 PolarHBondContact O-N 2.99Å; R122-S125 PolarHBondContact O-OG 3.38Å; R122-L126 WeakPolarHBondContact O-CG 3.45Å
123L93.8Very high94.5Very high3 Ų350.6 Ų50.62%0.01630%0.299CS..Hα-helixtrans-61.8-41.3176.1-70.5169.5000110.9R101 F102 D119 L120 S125 L126 F127R101-L123 HydrophobicContact CB-CD1 4.06Å; R101-L123 HydrophobicContact CB-CD2 3.79Å; F102-L123 HydrophobicContact CB-CB 4.03Å; F102-L123 HydrophobicContact CD2-CB 4.1Å; D119-L123 WeakPolarHBondContact O-CB 3.45Å; D119-L123 WeakPolarHBondContact O-CG 3.35Å; D119-L123 PolarHBondContact O-N 2.99Å; L120-L123 PolarHBondContact O-N 3.03Å; L123-S125 PolarHBondContact O-N 3.19Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-F127 WeakPolarHBondContact O-CD1 3.44Å; L123-F127 WeakPolarHBondContact O-CE1 3.43Å
124A95.9Very high94.5Very high3 Ų352.3 Ų52.33%0.02531%0.313CS..Hα-helixtrans-57.7-44.4175.800000113F102 L120 R121 R122 L126 F127 G129 V130 L135F102-A124 HydrophobicContact CD2-CB 4.34Å; F102-A124 HydrophobicContact CE2-CB 4.04Å; L120-A124 VanDerWaalsContact O-CB 3.29Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 2.84Å; R121-A124 WeakPolarHBondContact O-CB 3.39Å; R121-A124 PolarHBondContact O-N 3.34Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.36Å; A124-L126 PolarHBondContact O-N 2.92Å; A124-F127 HydrophobicContact CB-CE1 4.39Å; A124-F127 HydrophobicContact CB-CZ 4.17Å; A124-F127 PolarHBondContact O-N 3.27Å; A124-G129 WeakPolarHBondContact O-CA 3.42Å; A124-G129 PolarHBondContact O-N 3.01Å; A124-V130 HydrophobicContact CB-CG1 4.46Å; A124-V130 HydrophobicContact CB-CG2 3.66Å; A124-L135 HydrophobicContact CB-CD2 4.21Å
125S93.3Very high94.5Very high78 Ų7849.6 Ų49.655%0.54530%0.299SS..Hα-helixtrans-63-25.8-179.355.30000113.6R121 R122 L123 F127R121-S125 PolarHBondContact O-N 3.28Å; R122-S125 PolarHBondContact O-N 2.99Å; R122-S125 PolarHBondContact O-OG 3.38Å; L123-S125 PolarHBondContact O-N 3.19Å; S125-F127 VanDerWaalsContact C-N 3.31Å; S125-F127 PolarHBondContact O-N 3.38Å
126L91.4Very high94.4Very high33 Ų3347.1 Ų47.117%0.17328%0.282CS..THydrogen-bonded Turntrans-74.3-17.5-179-61.8178.8000114E92 V93 A98 R122 L123 A124E92-L126 HydrophobicContact CG-CD2 3.86Å; E92-L126 WeakPolarHBondContact OE1-CD2 3.48Å; V93-L126 HydrophobicContact CB-CD1 4.26Å; A98-L126 HydrophobicContact CB-CB 3.63Å; A98-L126 HydrophobicContact CB-CD1 4.12Å; R122-L126 WeakPolarHBondContact O-CG 3.45Å; L123-L126 PolarHBondContact O-N 2.92Å; A124-L126 PolarHBondContact O-N 2.92Å
127F93.3Very high94.2Very high50 Ų5050.9 Ų50.922%0.21931%0.307CS..THydrogen-bonded Turntrans-118.522.1177.363-99000113.5A98 Y99 F102 L123 A124 S125 V130A98-F127 HydrophobicContact CB-CD1 4.23Å; Y99-F127 HydrophobicContact CD2-CD2 4.34Å; Y99-F127 HydrophobicContact CD2-CE1 4.41Å; Y99-F127 HydrophobicContact CD2-CE2 4.09Å; Y99-F127 HydrophobicContact CD2-CZ 4.13Å; F102-F127 HydrophobicContact CB-CE1 3.69Å; F102-F127 HydrophobicContact CB-CZ 4.17Å; F102-F127 HydrophobicContact CD1-CE1 4.25Å; F102-F127 AromaticContact CD1-CZ 3.84Å; F102-F127 HydrophobicContact CD1-CZ 3.84Å; F102-F127 HydrophobicContact CD2-CE1 4.12Å; F102-F127 HydrophobicContact CD2-CZ 4.12Å; F102-F127 HydrophobicContact CE1-CZ 4.23Å; F102-F127 HydrophobicContact CE2-CZ 4.49Å; F102-F127 AromaticContact CG-CE1 3.77Å; F102-F127 HydrophobicContact CG-CE1 3.77Å; F102-F127 AromaticContact CG-CZ 3.78Å; F102-F127 HydrophobicContact CG-CZ 3.78Å; L123-F127 WeakPolarHBondContact O-CD1 3.44Å; L123-F127 WeakPolarHBondContact O-CE1 3.43Å; A124-F127 HydrophobicContact CB-CE1 4.39Å; A124-F127 HydrophobicContact CB-CZ 4.17Å; A124-F127 PolarHBondContact O-N 3.27Å; S125-F127 VanDerWaalsContact C-N 3.31Å; S125-F127 PolarHBondContact O-N 3.38Å; F127-V130 HydrophobicContact CE2-CG1 3.44Å; F127-V130 VanDerWaalsContact CE2-CG1 3.44Å; F127-V130 HydrophobicContact CZ-CG1 3.77Å
128G92.1Very high94.1Very high77 Ų7751.6 Ų51.679%0.79431%0.314SS*.THydrogen-bonded Turntrans101.95.2174.800000115.4
129G93.8Very high94.2Very high37 Ų3749 Ų4938%0.38129%0.292SS..  trans82.3165.9179.300000113.3A124A124-G129 WeakPolarHBondContact O-CA 3.42Å; A124-G129 PolarHBondContact O-N 3.01Å
130V95.4Very high94.1Very high50 Ų5048.3 Ų48.330%0.30329%0.289SS..  trans-137.7157.4175.3-65.50000110.1F102 A124 F127 A134 L135F102-V130 HydrophobicContact CE2-CG2 4.39Å; F102-V130 HydrophobicContact CZ-CG2 4.04Å; A124-V130 HydrophobicContact CB-CG1 4.46Å; A124-V130 HydrophobicContact CB-CG2 3.66Å; F127-V130 HydrophobicContact CE2-CG1 3.44Å; F127-V130 VanDerWaalsContact CE2-CG1 3.44Å; F127-V130 HydrophobicContact CZ-CG1 3.77Å; V130-A134 HydrophobicContact CB-CB 3.92Å; V130-A134 HydrophobicContact CG2-CB 4.29Å; V130-L135 HydrophobicContact CG2-CD1 4.39Å; V130-L135 HydrophobicContact CG2-CD2 3.55Å; V130-L135 HydrophobicContact CG2-CG 3.49Å; V130-L135 VanDerWaalsContact CG2-CG 3.49Å
131S95.6Very high94Very high75 Ų7550.4 Ų50.452%0.52431%0.307SS..  trans-63154.8175.466.70000111.4K133 A134 L135S131-K133 PolarHBondContact O-N 2.89Å; S131-A134 WeakPolarHBondContact O-CA 3.46Å; S131-A134 WeakPolarHBondContact O-CB 3.39Å; S131-A134 PolarHBondContact O-N 3.18Å; S131-A134 WeakPolarHBondContact OG-CB 3.34Å; S131-A134 PolarHBondContact OG-N 2.99Å; S131-L135 PolarHBondContact O-N 2.95Å
132E93.5Very high94Very high112 Ų11245 Ų4552%0.52329%0.287SS..Hα-helixtrans-56.7-36.2176.8-169.3-177.5163.300111.9L135 A136 L162E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.38Å; E132-A136 WeakPolarHBondContact O-CB 3.2Å; E132-A136 PolarHBondContact O-N 2.87Å; E132-L162 HydrophobicContact CG-CB 3.78Å; E132-L162 HydrophobicContact CG-CD2 3.92Å; E132-L162 WeakPolarHBondContact OE1-CB 3.06Å; E132-L162 PolarHBondContact OE1-N 3.24Å
133K92.6Very high94Very high154 Ų15443.1 Ų43.167%0.6728%0.28SS*.Hα-helixtrans-63.9-40.8174.3-171.3172.9-177174.20112.3S131 A136 C137S131-K133 PolarHBondContact O-N 2.89Å; K133-A136 PolarHBondContact O-N 3.21Å; K133-C137 PolarHBondContact O-N 3.41Å; K133-C137 PolarHBondContact O-SG 3.4Å
134A94.3Very high93.9Very high37 Ų3745.5 Ų45.531%0.30630%0.296SS..Hα-helixtrans-67.1-38.4175.300000111.7V130 S131 C137 A138V130-A134 HydrophobicContact CB-CB 3.92Å; V130-A134 HydrophobicContact CG2-CB 4.29Å; S131-A134 WeakPolarHBondContact O-CA 3.46Å; S131-A134 WeakPolarHBondContact O-CB 3.39Å; S131-A134 PolarHBondContact O-N 3.18Å; S131-A134 WeakPolarHBondContact OG-CB 3.34Å; S131-A134 PolarHBondContact OG-N 2.99Å; A134-C137 PolarHBondContact O-N 3.37Å; A134-A138 WeakPolarHBondContact O-CB 3.46Å; A134-A138 PolarHBondContact O-N 2.91Å
135L95.7Very high93.5Very high16 Ų1647 Ų478%0.08431%0.311CS..Hα-helixtrans-61.4-44.2171.2-75.4172.8000112F102 L120 R121 A124 V130 S131 E132 C137 A138 F139 L162F102-L135 HydrophobicContact CE2-CD2 3.98Å; F102-L135 HydrophobicContact CZ-CD2 4.33Å; L120-L135 HydrophobicContact CB-CD2 4.3Å; R121-L135 HydrophobicContact CG-CD1 3.87Å; R121-L135 HydrophobicContact CG-CD2 4.31Å; A124-L135 HydrophobicContact CB-CD2 4.21Å; V130-L135 HydrophobicContact CG2-CD1 4.39Å; V130-L135 HydrophobicContact CG2-CD2 3.55Å; V130-L135 HydrophobicContact CG2-CG 3.49Å; V130-L135 VanDerWaalsContact CG2-CG 3.49Å; S131-L135 PolarHBondContact O-N 2.95Å; E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.38Å; L135-C137 PolarHBondContact O-N 3.03Å; L135-A138 PolarHBondContact O-N 3.38Å; L135-F139 VanDerWaalsContact O-CB 3.28Å; L135-F139 WeakPolarHBondContact O-CB 3.45Å; L135-F139 PolarHBondContact O-N 3.18Å; L135-L162 HydrophobicContact CB-CD2 4.08Å; L135-L162 HydrophobicContact CD1-CD2 4.34Å
136A93.8Very high93.1Very high13 Ų1346.3 Ų46.311%0.10731%0.307CS..Hα-helixtrans-60-45.4176.200000111.5E132 K133 F139 V140 L162 I165E132-A136 WeakPolarHBondContact O-CB 3.2Å; E132-A136 PolarHBondContact O-N 2.87Å; K133-A136 PolarHBondContact O-N 3.21Å; A136-F139 PolarHBondContact O-N 2.88Å; A136-V140 WeakPolarHBondContact O-CB 3.48Å; A136-V140 WeakPolarHBondContact O-CG2 3.17Å; A136-V140 PolarHBondContact O-N 3.12Å; A136-L162 HydrophobicContact CB-CD1 4.05Å; A136-I165 HydrophobicContact CB-CD1 3.86Å
137C92.7Very high92.9Very high79 Ų7944.9 Ų44.953%0.53430%0.299SS..Hα-helixtrans-60.6-46.3174.7-71.10000112.2K133 A134 L135 V140 A141K133-C137 PolarHBondContact O-N 3.41Å; K133-C137 PolarHBondContact O-SG 3.4Å; A134-C137 PolarHBondContact O-N 3.37Å; L135-C137 PolarHBondContact O-N 3.03Å; C137-V140 PolarHBondContact O-N 3.26Å; C137-A141 VanDerWaalsContact O-CB 3.23Å; C137-A141 WeakPolarHBondContact O-CB 3.18Å; C137-A141 PolarHBondContact O-N 3.16Å
138A95.3Very high92.6Very high19 Ų1947 Ų4716%0.15731%0.306CS..Hα-helixtrans-63-44.3178.700000111.8F102 L120 A134 L135 A141 G142F102-A138 HydrophobicContact CE1-CB 3.84Å; F102-A138 HydrophobicContact CE2-CB 4.15Å; F102-A138 HydrophobicContact CZ-CB 3.44Å; F102-A138 VanDerWaalsContact CZ-CB 3.44Å; L120-A138 HydrophobicContact CD1-CB 4.27Å; L120-A138 HydrophobicContact CD2-CB 4.43Å; A134-A138 WeakPolarHBondContact O-CB 3.46Å; A134-A138 PolarHBondContact O-N 2.91Å; L135-A138 PolarHBondContact O-N 3.38Å; A138-A141 PolarHBondContact O-N 3.24Å; A138-G142 PolarHBondContact O-N 3.37Å
139F95.6Very high92.1Very high0 Ų049.8 Ų49.80%030%0.298CS..Hα-helixtrans-56.9-53.9175.5-178.2-93.8000110.6P113 F116 L117 L120 L135 A136 A141 G142 L143 I165 V166 A169P113-F139 HydrophobicContact CB-CE2 4.39Å; P113-F139 HydrophobicContact CB-CZ 4Å; P113-F139 WeakPolarHBondContact O-CE2 3.4Å; F116-F139 AromaticContact CD1-CD2 3.58Å; F116-F139 HydrophobicContact CD1-CD2 3.58Å; F116-F139 AromaticContact CD1-CE2 3.47Å; F116-F139 HydrophobicContact CD1-CE2 3.47Å; F116-F139 VanDerWaalsContact CD1-CE2 3.47Å; F116-F139 HydrophobicContact CD1-CZ 4.35Å; F116-F139 AromaticContact CE1-CD2 3.61Å; F116-F139 HydrophobicContact CE1-CD2 3.61Å; F116-F139 AromaticContact CE1-CE2 3.93Å; F116-F139 HydrophobicContact CE1-CE2 3.93Å; F116-F139 HydrophobicContact CE1-CG 4.17Å; F116-F139 WeakPolarHBondContact CE1-O 3.33Å; F116-F139 HydrophobicContact CG-CD2 4.47Å; F116-F139 HydrophobicContact CG-CE2 4.38Å; F116-F139 HydrophobicContact CZ-CD2 4.49Å; L117-F139 HydrophobicContact CB-CD2 4.02Å; L117-F139 HydrophobicContact CB-CE2 4.12Å; L117-F139 HydrophobicContact CD1-CD2 4.16Å; L120-F139 HydrophobicContact CD1-CB 3.99Å; L120-F139 HydrophobicContact CD1-CD2 4.34Å; L135-F139 VanDerWaalsContact O-CB 3.28Å; L135-F139 WeakPolarHBondContact O-CB 3.45Å; L135-F139 PolarHBondContact O-N 3.18Å; A136-F139 PolarHBondContact O-N 2.88Å; F139-A141 VanDerWaalsContact C-N 3.33Å; F139-A141 PolarHBondContact O-N 3.24Å; F139-G142 PolarHBondContact O-N 3.45Å; F139-G142 VanDerWaalsContact O-N 3.1Å; F139-L143 HydrophobicContact CD1-CD1 4.23Å; F139-L143 HydrophobicContact CE1-CD1 3.85Å; F139-L143 HydrophobicContact CE1-CD2 4.29Å; F139-L143 HydrophobicContact CE1-CG 4.32Å; F139-L143 HydrophobicContact CZ-CD2 4.24Å; F139-L143 WeakPolarHBondContact O-CG 3.34Å; F139-L143 PolarHBondContact O-N 3.3Å; F139-I165 HydrophobicContact CD1-CG2 3.79Å; F139-I165 HydrophobicContact CE1-CG2 3.99Å; F139-V166 HydrophobicContact CE1-CG2 4.25Å; F139-V166 HydrophobicContact CE2-CG2 4.23Å; F139-V166 HydrophobicContact CZ-CG2 4.06Å; F139-A169 HydrophobicContact CE1-CB 3.84Å; F139-A169 HydrophobicContact CZ-CB 3.93Å
140V93.5Very high91.7Very high17 Ų1752.1 Ų52.110%0.10330%0.301CS..Hα-helixtrans-61-41.8178.8174.10000111.3A136 C137 G142 L143 R148 L157 I165A136-V140 WeakPolarHBondContact O-CB 3.48Å; A136-V140 WeakPolarHBondContact O-CG2 3.17Å; A136-V140 PolarHBondContact O-N 3.12Å; C137-V140 PolarHBondContact O-N 3.26Å; V140-G142 PolarHBondContact O-N 3.06Å; V140-L143 PolarHBondContact O-N 3.27Å; V140-R148 HydrophobicContact CG1-CG 4.42Å; V140-R148 WeakPolarHBondContact O-CD 3.08Å; V140-R148 VanDerWaalsContact O-CG 3.29Å; V140-R148 WeakPolarHBondContact O-CG 3.49Å; V140-L157 HydrophobicContact CB-CD2 4.1Å; V140-L157 HydrophobicContact CG1-CD2 3.55Å; V140-L157 HydrophobicContact CG2-CD1 4.47Å; V140-L157 HydrophobicContact CG2-CD2 3.49Å; V140-L157 VanDerWaalsContact CG2-CD2 3.49Å; V140-L157 HydrophobicContact CG2-CG 4.24Å; V140-I165 HydrophobicContact CG2-CG2 3.78Å
141A93.6Very high91.2Very high45 Ų4549.9 Ų49.937%0.37229%0.288SS..Hα-helixtrans-66.5-23.8178.500000113.5K106 C137 A138 F139K106-A141 PolarHBondContact NZ-O 2.86Å; C137-A141 VanDerWaalsContact O-CB 3.23Å; C137-A141 WeakPolarHBondContact O-CB 3.18Å; C137-A141 PolarHBondContact O-N 3.16Å; A138-A141 PolarHBondContact O-N 3.24Å; F139-A141 VanDerWaalsContact C-N 3.33Å; F139-A141 PolarHBondContact O-N 3.24Å
142G95.2Very high90.4Very high2 Ų254.4 Ų54.42%0.02129%0.293CS..Hα-helixtrans-83.5-14.3176.300000114.9R105 K106 L107 A138 F139 V140R105-G142 WeakPolarHBondContact O-CA 3.05Å; K106-G142 WeakPolarHBondContact CA-O 3.47Å; L107-G142 PolarHBondContact N-O 2.53Å; A138-G142 PolarHBondContact O-N 3.37Å; F139-G142 PolarHBondContact O-N 3.45Å; F139-G142 VanDerWaalsContact O-N 3.1Å; V140-G142 PolarHBondContact O-N 3.06Å
143L93.4Very high89.3Confident5 Ų554.5 Ų54.53%0.02630%0.301CS..SBendtrans-76.1147.7179.6-64.9174.6000112.5L107 F116 F139 V140 I147 R148 L151 A169L107-L143 HydrophobicContact CB-CD2 4.31Å; L107-L143 HydrophobicContact CD2-CD2 3.77Å; F116-L143 HydrophobicContact CD1-CD2 4.48Å; F116-L143 HydrophobicContact CE1-CD2 4.37Å; F139-L143 HydrophobicContact CD1-CD1 4.23Å; F139-L143 HydrophobicContact CE1-CD1 3.85Å; F139-L143 HydrophobicContact CE1-CD2 4.29Å; F139-L143 HydrophobicContact CE1-CG 4.32Å; F139-L143 HydrophobicContact CZ-CD2 4.24Å; F139-L143 WeakPolarHBondContact O-CG 3.34Å; F139-L143 PolarHBondContact O-N 3.3Å; V140-L143 PolarHBondContact O-N 3.27Å; L143-I147 HydrophobicContact CB-CG2 4.47Å; L143-I147 HydrophobicContact CD1-CG2 4.04Å; L143-R148 HydrophobicContact CB-CG 3.76Å; L143-R148 WeakPolarHBondContact O-CD 3.46Å; L143-R148 PolarHBondContact O-NE 3.22Å; L143-L151 HydrophobicContact CD1-CD1 3.36Å; L143-A169 HydrophobicContact CD1-CB 4.3Å
144P91.2Very high88Confident54 Ų5450.6 Ų50.635%0.35131%0.305SS..  trans-49.4147.7168.2-29.534.6000113.3S146 I147 R148P144-S146 VanDerWaalsContact C-N 3.29Å; P144-S146 PolarHBondContact O-N 3.23Å; P144-I147 HydrophobicContact CB-CD1 4.03Å; P144-I147 HydrophobicContact CB-CG1 4.43Å; P144-I147 HydrophobicContact CG-CD1 3.81Å; P144-I147 PolarHBondContact O-N 2.99Å; P144-R148 WeakPolarHBondContact O-CG 3.27Å; P144-R148 PolarHBondContact O-N 2.79Å
145G88.2Confident86.9Confident33 Ų3351 Ų5134%0.3431%0.306SS..Hα-helixtrans-53.7-41.7-178.500000114.1R148 Q149G145-R148 PolarHBondContact O-N 3.43Å; G145-Q149 WeakPolarHBondContact O-CG 3.39Å; G145-Q149 PolarHBondContact O-N 3.34Å; G145-Q149 VanDerWaalsContact O-N 3.14Å
146S85Confident85.8Confident65 Ų6559.4 Ų59.446%0.45534%0.336SS..Hα-helixtrans-58.6-49.7177.348.80000112.1P144 R148 Q149 L150P144-S146 VanDerWaalsContact C-N 3.29Å; P144-S146 PolarHBondContact O-N 3.23Å; S146-R148 PolarHBondContact O-N 2.78Å; S146-Q149 WeakPolarHBondContact O-CB 3.24Å; S146-Q149 PolarHBondContact O-N 3.32Å; S146-L150 WeakPolarHBondContact O-CG 3.5Å; S146-L150 PolarHBondContact O-N 2.81Å; S146-L150 VanDerWaalsContact O-N 3.09Å
147I86.9Confident84.9Confident3 Ų360.5 Ų60.52%0.01534%0.34CS..Hα-helixtrans-67-41.5-178.6-60.7164.2000110.3L143 P144 Q149 L150 L151 V172 L173L143-I147 HydrophobicContact CB-CG2 4.47Å; L143-I147 HydrophobicContact CD1-CG2 4.04Å; P144-I147 HydrophobicContact CB-CD1 4.03Å; P144-I147 HydrophobicContact CB-CG1 4.43Å; P144-I147 HydrophobicContact CG-CD1 3.81Å; P144-I147 PolarHBondContact O-N 2.99Å; I147-Q149 PolarHBondContact O-N 3.44Å; I147-L150 PolarHBondContact O-N 3.05Å; I147-L150 VanDerWaalsContact O-N 3.17Å; I147-L151 HydrophobicContact CG2-CD1 4.33Å; I147-L151 HydrophobicContact CG2-CG 4.3Å; I147-L151 WeakPolarHBondContact O-CG 3.09Å; I147-L151 PolarHBondContact O-N 3.26Å; I147-V172 HydrophobicContact CB-CG1 4.4Å; I147-V172 HydrophobicContact CG1-CG1 4.07Å; I147-V172 HydrophobicContact CG2-CB 4.46Å; I147-V172 HydrophobicContact CG2-CG1 4.06Å; I147-L173 HydrophobicContact CD1-CD1 4.31Å; I147-L173 HydrophobicContact CD1-CD2 3.28Å; I147-L173 HydrophobicContact CD1-CG 3.69Å; I147-L173 HydrophobicContact CG1-CD2 4.43Å
148R86.5Confident84.1Confident94 Ų9464.5 Ų64.536%0.35535%0.351SS..Hα-helixtrans-58.3-37.2176.1-69.4-174.8-63.3172.8-3.9112.6V140 L143 P144 G145 S146 R152V140-R148 HydrophobicContact CG1-CG 4.42Å; V140-R148 WeakPolarHBondContact O-CD 3.08Å; V140-R148 VanDerWaalsContact O-CG 3.29Å; V140-R148 WeakPolarHBondContact O-CG 3.49Å; L143-R148 HydrophobicContact CB-CG 3.76Å; L143-R148 WeakPolarHBondContact O-CD 3.46Å; L143-R148 PolarHBondContact O-NE 3.22Å; P144-R148 WeakPolarHBondContact O-CG 3.27Å; P144-R148 PolarHBondContact O-N 2.79Å; G145-R148 PolarHBondContact O-N 3.43Å; S146-R148 PolarHBondContact O-N 2.78Å; R148-R152 WeakPolarHBondContact O-CG 3.44Å; R148-R152 PolarHBondContact O-N 3.42Å
149Q83Confident83.4Confident136 Ų13668.1 Ų68.164%0.63638%0.375SS*.Hα-helixtrans-68.3-47.8176.1-71.2173.41.500110.6G145 S146 I147 L151 R152 V153G145-Q149 WeakPolarHBondContact O-CG 3.39Å; G145-Q149 PolarHBondContact O-N 3.34Å; G145-Q149 VanDerWaalsContact O-N 3.14Å; S146-Q149 WeakPolarHBondContact O-CB 3.24Å; S146-Q149 PolarHBondContact O-N 3.32Å; I147-Q149 PolarHBondContact O-N 3.44Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 3.36Å; Q149-R152 WeakPolarHBondContact O-CB 3.48Å; Q149-R152 PolarHBondContact O-N 2.85Å; Q149-V153 WeakPolarHBondContact O-CG2 3.27Å; Q149-V153 PolarHBondContact O-N 3.32Å
150L84.6Confident82.9Confident85 Ų8569.6 Ų69.645%0.44538%0.383SS..Hα-helixtrans-58.7-39.2178.1-70.3169.4000112.4S146 I147 R152 V153 V172S146-L150 WeakPolarHBondContact O-CG 3.5Å; S146-L150 PolarHBondContact O-N 2.81Å; S146-L150 VanDerWaalsContact O-N 3.09Å; I147-L150 PolarHBondContact O-N 3.05Å; I147-L150 VanDerWaalsContact O-N 3.17Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3.37Å; L150-V153 PolarHBondContact O-N 3.12Å; L150-V153 VanDerWaalsContact O-N 3.17Å; L150-V172 HydrophobicContact CB-CG1 4.1Å; L150-V172 HydrophobicContact CB-CG2 4.12Å; L150-V172 HydrophobicContact CD1-CG1 3.45Å; L150-V172 VanDerWaalsContact CD1-CG1 3.45Å; L150-V172 HydrophobicContact CG-CG1 4.41Å
151L84.8Confident82.8Confident4 Ų470.9 Ų70.92%0.02139%0.392CS..Hα-helixtrans-64.2-28.1175.9-69.3-177.9000114.1L143 I147 Q149 L157 R168 A169 V172L143-L151 HydrophobicContact CD1-CD1 3.36Å; I147-L151 HydrophobicContact CG2-CD1 4.33Å; I147-L151 HydrophobicContact CG2-CG 4.3Å; I147-L151 WeakPolarHBondContact O-CG 3.09Å; I147-L151 PolarHBondContact O-N 3.26Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 3.36Å; L151-L157 HydrophobicContact CB-CD1 4.37Å; L151-R168 HydrophobicContact CD2-CB 3.34Å; L151-A169 HydrophobicContact CD1-CB 4.46Å; L151-V172 HydrophobicContact CD2-CG2 4.49Å
152R79.5Confident82.8Confident170 Ų17068.9 Ų68.964%0.64238%0.376SS*.Hα-helixtrans-80-18.8177.8-71173.2177.8176.5-1.7112.5R148 Q149 L150 G154R148-R152 WeakPolarHBondContact O-CG 3.44Å; R148-R152 PolarHBondContact O-N 3.42Å; Q149-R152 WeakPolarHBondContact O-CB 3.48Å; Q149-R152 PolarHBondContact O-N 2.85Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3.37Å; R152-G154 PolarHBondContact O-N 3.46Å
153V70.7Confident82.7Confident113 Ų11375.9 Ų75.969%0.68541%0.408SS*.SBendtrans-75.8109.9177.2-177.20000108.2Q149 L150Q149-V153 WeakPolarHBondContact O-CG2 3.27Å; Q149-V153 PolarHBondContact O-N 3.32Å; L150-V153 PolarHBondContact O-N 3.12Å; L150-V153 VanDerWaalsContact O-N 3.17Å
154G65.5Low82.6Confident73 Ų7379.6 Ų79.675%0.75343%0.428SS*.SBendtrans111-17.4169.300000116.5R152R152-G154 PolarHBondContact O-N 3.46Å
155S69.4Low82.7Confident46 Ų4677.2 Ų77.232%0.32241%0.412SS..SBendtrans-157.8155.6170.5-40.90000113L157 R168S155-L157 PolarHBondContact O-N 2.8Å; S155-R168 VanDerWaalsContact CB-NH1 3.31Å; S155-R168 PolarHBondContact OG-NH1 2.87Å; S155-R168 VanDerWaalsContact OG-NH1 3.14Å; S155-R168 PolarHBondContact OG-NH2 3.48Å
156R73.8Confident82.9Confident192 Ų19275.9 Ų75.973%0.72540%0.397SS*.  trans-67.6113.5168.2-65.7-173-179.4-149.82.2108.6E158 S159R156-E158 PolarHBondContact O-N 3.08Å; R156-S159 PolarHBondContact O-N 3.21Å; R156-S159 VanDerWaalsContact O-N 3.12Å; R156-S159 PolarHBondContact O-OG 2.85Å
157L74.8Confident83.3Confident35 Ų3574 Ų7418%0.18339%0.388CS..G310 helixtrans-56-26.2179.1-16168.7000112.6V140 L151 S155 S159 L160 I165V140-L157 HydrophobicContact CB-CD2 4.1Å; V140-L157 HydrophobicContact CG1-CD2 3.55Å; V140-L157 HydrophobicContact CG2-CD1 4.47Å; V140-L157 HydrophobicContact CG2-CD2 3.49Å; V140-L157 VanDerWaalsContact CG2-CD2 3.49Å; V140-L157 HydrophobicContact CG2-CG 4.24Å; L151-L157 HydrophobicContact CB-CD1 4.37Å; S155-L157 PolarHBondContact O-N 2.8Å; L157-S159 VanDerWaalsContact C-N 3.26Å; L157-S159 PolarHBondContact O-N 3.44Å; L157-L160 HydrophobicContact CD1-CD1 4.21Å; L157-L160 PolarHBondContact O-N 2.98Å; L157-I165 HydrophobicContact CD1-CD1 4.15Å; L157-I165 HydrophobicContact CD1-CG1 3.81Å; L157-I165 HydrophobicContact CD1-CG2 4.28Å; L157-I165 HydrophobicContact CG-CD1 4.16Å; L157-I165 HydrophobicContact CG-CG1 4.38Å
158E76.2Confident83.5Confident163 Ų16377.3 Ų77.376%0.76240%0.4SS*.G310 helixtrans-65.8-21.8-179.9-63.8160.1172.200114.3R156R156-E158 PolarHBondContact O-N 3.08Å
159S79.6Confident83.7Confident95 Ų9572.9 Ų72.966%0.66438%0.384SS*.G310 helixtrans-98.8-0.3-179.267.30000113.5R156 L157R156-S159 PolarHBondContact O-N 3.21Å; R156-S159 VanDerWaalsContact O-N 3.12Å; R156-S159 PolarHBondContact O-OG 2.85Å; L157-S159 VanDerWaalsContact C-N 3.26Å; L157-S159 PolarHBondContact O-N 3.44Å
160L84.9Confident84.2Confident32 Ų3271.6 Ų71.617%0.16837%0.373CS..SBendtrans-94145.6-177-63.1177.4000110.6L157 D164 I165L157-L160 HydrophobicContact CD1-CD1 4.21Å; L157-L160 PolarHBondContact O-N 2.98Å; L160-D164 HydrophobicContact CB-CB 3.98Å; L160-D164 HydrophobicContact CD2-CB 4.21Å; L160-I165 HydrophobicContact CB-CD1 4.32Å; L160-I165 HydrophobicContact CB-CG1 3.82Å; L160-I165 HydrophobicContact CD1-CG1 4.3Å
161S91.8Very high84.4Confident43 Ų4370 Ų7030%0.30137%0.373SS..  trans-67.4161.9168.369.40000110.4E163 D164 I165S161-E163 PolarHBondContact O-N 3.44Å; S161-D164 WeakPolarHBondContact CB-OD2 3.4Å; S161-D164 PolarHBondContact N-OD2 3.27Å; S161-D164 VanDerWaalsContact N-OD2 3.14Å; S161-D164 PolarHBondContact O-N 3.08Å; S161-D164 PolarHBondContact OG-N 2.72Å; S161-D164 VanDerWaalsContact OG-N 3.1Å; S161-D164 PolarHBondContact OG-OD2 3.13Å; S161-I165 WeakPolarHBondContact O-CG1 3.29Å; S161-I165 PolarHBondContact O-N 2.61Å; S161-I165 VanDerWaalsContact O-N 3.13Å
162L92.8Very high84.5Confident4 Ų471 Ų712%0.02138%0.379CS..Hα-helixtrans-58-37.6173.7176.359.8000111.2L117 E132 L135 A136 I165 V166L117-L162 HydrophobicContact CD1-CD1 3.89Å; L117-L162 HydrophobicContact CD1-CD2 4.07Å; L117-L162 HydrophobicContact CD1-CG 4.35Å; L117-L162 HydrophobicContact CD2-CD1 4.13Å; L117-L162 HydrophobicContact CD2-CD2 4.06Å; L117-L162 HydrophobicContact CD2-CG 3.97Å; E132-L162 HydrophobicContact CG-CB 3.78Å; E132-L162 HydrophobicContact CG-CD2 3.92Å; E132-L162 WeakPolarHBondContact OE1-CB 3.06Å; E132-L162 PolarHBondContact OE1-N 3.24Å; L135-L162 HydrophobicContact CB-CD2 4.08Å; L135-L162 HydrophobicContact CD1-CD2 4.34Å; A136-L162 HydrophobicContact CB-CD1 4.05Å; L162-I165 PolarHBondContact O-N 3.43Å; L162-V166 HydrophobicContact CD1-CG2 4.37Å; L162-V166 WeakPolarHBondContact O-CG2 3.32Å; L162-V166 PolarHBondContact O-N 3.43Å
163E93.6Very high84.9Confident149 Ų14965.3 Ų65.370%0.69636%0.36SS*.Hα-helixtrans-64.4-41.8178.3-60.2-172.5167.600112.2S161 I165 V166 G167S161-E163 PolarHBondContact O-N 3.44Å; E163-I165 PolarHBondContact O-N 3.4Å; E163-V166 PolarHBondContact O-N 3.18Å; E163-G167 PolarHBondContact O-N 3.35Å
164D92Very high85.3Confident83 Ų8368 Ų6844%0.44436%0.363SS..Hα-helixtrans-63.1-42.7176.2-67.2-47.7000111.7L160 S161 V166 G167 R168L160-D164 HydrophobicContact CB-CB 3.98Å; L160-D164 HydrophobicContact CD2-CB 4.21Å; S161-D164 WeakPolarHBondContact CB-OD2 3.4Å; S161-D164 PolarHBondContact N-OD2 3.27Å; S161-D164 VanDerWaalsContact N-OD2 3.14Å; S161-D164 PolarHBondContact O-N 3.08Å; S161-D164 PolarHBondContact OG-N 2.72Å; S161-D164 VanDerWaalsContact OG-N 3.1Å; S161-D164 PolarHBondContact OG-OD2 3.13Å; D164-V166 VanDerWaalsContact C-N 3.34Å; D164-G167 PolarHBondContact O-N 3.34Å; D164-R168 WeakPolarHBondContact O-CG 3.3Å; D164-R168 PolarHBondContact O-N 3.43Å
165I92.4Very high85.4Confident3 Ų369.2 Ų69.22%0.01535%0.352CS..Hα-helixtrans-62.7-44.5179.1-65.9170000110.3A136 F139 V140 L157 L160 S161 L162 E163 R168 A169A136-I165 HydrophobicContact CB-CD1 3.86Å; F139-I165 HydrophobicContact CD1-CG2 3.79Å; F139-I165 HydrophobicContact CE1-CG2 3.99Å; V140-I165 HydrophobicContact CG2-CG2 3.78Å; L157-I165 HydrophobicContact CD1-CD1 4.15Å; L157-I165 HydrophobicContact CD1-CG1 3.81Å; L157-I165 HydrophobicContact CD1-CG2 4.28Å; L157-I165 HydrophobicContact CG-CD1 4.16Å; L157-I165 HydrophobicContact CG-CG1 4.38Å; L160-I165 HydrophobicContact CB-CD1 4.32Å; L160-I165 HydrophobicContact CB-CG1 3.82Å; L160-I165 HydrophobicContact CD1-CG1 4.3Å; S161-I165 WeakPolarHBondContact O-CG1 3.29Å; S161-I165 PolarHBondContact O-N 2.61Å; S161-I165 VanDerWaalsContact O-N 3.13Å; L162-I165 PolarHBondContact O-N 3.43Å; E163-I165 PolarHBondContact O-N 3.4Å; I165-R168 PolarHBondContact O-N 3.45Å; I165-A169 WeakPolarHBondContact O-CB 3.12Å; I165-A169 PolarHBondContact O-N 3.24Å
166V93.6Very high85Confident5 Ų571.5 Ų71.53%0.0336%0.361CS..Hα-helixtrans-65.4-41.8177.1176.40000110.6P113 L117 F139 L162 E163 D164 R168 A169 R170P113-V166 HydrophobicContact CB-CG1 4.03Å; L117-V166 HydrophobicContact CD2-CG2 3.54Å; F139-V166 HydrophobicContact CE1-CG2 4.25Å; F139-V166 HydrophobicContact CE2-CG2 4.23Å; F139-V166 HydrophobicContact CZ-CG2 4.06Å; L162-V166 HydrophobicContact CD1-CG2 4.37Å; L162-V166 WeakPolarHBondContact O-CG2 3.32Å; L162-V166 PolarHBondContact O-N 3.43Å; E163-V166 PolarHBondContact O-N 3.18Å; D164-V166 VanDerWaalsContact C-N 3.34Å; V166-R168 VanDerWaalsContact C-N 3.33Å; V166-R168 PolarHBondContact O-N 3.39Å; V166-A169 PolarHBondContact O-N 3.44Å; V166-R170 PolarHBondContact O-N 3.15Å
167G92.7Very high83.9Confident26 Ų2670.3 Ų70.327%0.26836%0.361SS..Hα-helixtrans-56.2-45.8174.900000112.3E163 D164 R170 A171E163-G167 PolarHBondContact O-N 3.35Å; D164-G167 PolarHBondContact O-N 3.34Å; G167-R170 PolarHBondContact O-N 2.99Å; G167-A171 PolarHBondContact O-N 2.88Å
168R90.5Very high82.4Confident73 Ų7374.5 Ų74.528%0.27539%0.391SS..Hα-helixtrans-66.8-41.8175.4-68.3178.1-175-150.8-1.1112.6L151 S155 D164 I165 V166 R170 A171 V172L151-R168 HydrophobicContact CD2-CB 3.34Å; S155-R168 VanDerWaalsContact CB-NH1 3.31Å; S155-R168 PolarHBondContact OG-NH1 2.87Å; S155-R168 VanDerWaalsContact OG-NH1 3.14Å; S155-R168 PolarHBondContact OG-NH2 3.48Å; D164-R168 WeakPolarHBondContact O-CG 3.3Å; D164-R168 PolarHBondContact O-N 3.43Å; I165-R168 PolarHBondContact O-N 3.45Å; V166-R168 VanDerWaalsContact C-N 3.33Å; V166-R168 PolarHBondContact O-N 3.39Å; R168-R170 VanDerWaalsContact C-N 3.31Å; R168-R170 PolarHBondContact O-N 3.4Å; R168-A171 WeakPolarHBondContact O-CB 3.29Å; R168-A171 PolarHBondContact O-N 3.13Å; R168-V172 WeakPolarHBondContact O-CG2 3.39Å; R168-V172 PolarHBondContact O-N 2.95Å
169A91.6Very high80.7Confident0 Ų073.9 Ų73.90%039%0.389CS..Hα-helixtrans-61.8-40.6178.700000111.5P113 F139 L143 L151 I165 V166 V172 L173P113-A169 HydrophobicContact CB-CB 4.44Å; P113-A169 HydrophobicContact CG-CB 4.27Å; F139-A169 HydrophobicContact CE1-CB 3.84Å; F139-A169 HydrophobicContact CZ-CB 3.93Å; L143-A169 HydrophobicContact CD1-CB 4.3Å; L151-A169 HydrophobicContact CD1-CB 4.46Å; I165-A169 WeakPolarHBondContact O-CB 3.12Å; I165-A169 PolarHBondContact O-N 3.24Å; V166-A169 PolarHBondContact O-N 3.44Å; A169-V172 PolarHBondContact O-N 3.28Å; A169-L173 VanDerWaalsContact O-CB 3.32Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CD1 3.43Å; A169-L173 WeakPolarHBondContact O-CG 2.97Å; A169-L173 PolarHBondContact O-N 3.4Å
170R92.2Very high78.8Confident109 Ų10972.6 Ų72.641%0.41139%0.391SS..Hα-helixtrans-58.7-45.4172.4-80.5-167.6-67.4-128.72.6112.7P113 D114 V166 G167 R168 K174P113-R170 HydrophobicContact CB-CG 3.88Å; P113-R170 HydrophobicContact CG-CB 4.47Å; P113-R170 HydrophobicContact CG-CG 3.75Å; D114-R170 IonicContact OD1-CZ 3.94Å; D114-R170 IonicContact OD1-NH1 2.86Å; D114-R170 PolarHBondContact OD1-NH1 3.05Å; D114-R170 WeakPolarHBondContact OD2-CD 3.47Å; D114-R170 IonicContact OD2-CZ 3.77Å; D114-R170 IonicContact OD2-NE 3.94Å; D114-R170 IonicContact OD2-NH1 2.85Å; D114-R170 PolarHBondContact OD2-NH1 3.22Å; V166-R170 PolarHBondContact O-N 3.15Å; G167-R170 PolarHBondContact O-N 2.99Å; R168-R170 VanDerWaalsContact C-N 3.31Å; R168-R170 PolarHBondContact O-N 3.4Å; R170-K174 WeakPolarHBondContact O-CB 3.14Å; R170-K174 PolarHBondContact O-N 3.23Å; R170-K174 VanDerWaalsContact O-N 3.1Å
171A89.3Confident76.7Confident53 Ų5379.2 Ų79.244%0.43843%0.426SS..Hα-helixtrans-59.9-50.3179.900000110.5G167 R168 L173 K174 D175G167-A171 PolarHBondContact O-N 2.88Å; R168-A171 WeakPolarHBondContact O-CB 3.29Å; R168-A171 PolarHBondContact O-N 3.13Å; A171-L173 PolarHBondContact O-N 3.44Å; A171-K174 PolarHBondContact O-N 2.75Å; A171-D175 PolarHBondContact O-N 3.3Å
172V87.9Confident74.2Confident25 Ų2582 Ų8215%0.15245%0.445CS..Hα-helixtrans-62.4-46.4179.9174.90000112.3I147 L150 L151 R168 A169 K174 D175 D176I147-V172 HydrophobicContact CB-CG1 4.4Å; I147-V172 HydrophobicContact CG1-CG1 4.07Å; I147-V172 HydrophobicContact CG2-CB 4.46Å; I147-V172 HydrophobicContact CG2-CG1 4.06Å; L150-V172 HydrophobicContact CB-CG1 4.1Å; L150-V172 HydrophobicContact CB-CG2 4.12Å; L150-V172 HydrophobicContact CD1-CG1 3.45Å; L150-V172 VanDerWaalsContact CD1-CG1 3.45Å; L150-V172 HydrophobicContact CG-CG1 4.41Å; L151-V172 HydrophobicContact CD2-CG2 4.49Å; R168-V172 WeakPolarHBondContact O-CG2 3.39Å; R168-V172 PolarHBondContact O-N 2.95Å; A169-V172 PolarHBondContact O-N 3.28Å; V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 PolarHBondContact O-N 3.47Å; V172-D175 PolarHBondContact O-N 3.27Å; V172-D175 VanDerWaalsContact O-N 3.13Å; V172-D176 PolarHBondContact O-N 3.07Å
173L86.7Confident71.9Confident49 Ų4989.6 Ų89.626%0.25749%0.486SS..Hα-helixtrans-68.1-26.4-177.4-83.4161000113.9L107 P113 I147 A169 A171 D175L107-L173 HydrophobicContact CD2-CD1 3.63Å; L107-L173 HydrophobicContact CD2-CD2 4.14Å; P113-L173 HydrophobicContact CG-CD1 3.46Å; P113-L173 VanDerWaalsContact CG-CD1 3.46Å; I147-L173 HydrophobicContact CD1-CD1 4.31Å; I147-L173 HydrophobicContact CD1-CD2 3.28Å; I147-L173 HydrophobicContact CD1-CG 3.69Å; I147-L173 HydrophobicContact CG1-CD2 4.43Å; A169-L173 VanDerWaalsContact O-CB 3.32Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CD1 3.43Å; A169-L173 WeakPolarHBondContact O-CG 2.97Å; A169-L173 PolarHBondContact O-N 3.4Å; A171-L173 PolarHBondContact O-N 3.44Å; L173-D175 VanDerWaalsContact C-N 3.29Å
174K80.4Confident69.7Low170 Ų17087.1 Ų87.174%0.73949%0.491SS*.Hα-helixtrans-71.8-29.6174.7-168.4176179-176.30111.6R170 A171 V172R170-K174 WeakPolarHBondContact O-CB 3.14Å; R170-K174 PolarHBondContact O-N 3.23Å; R170-K174 VanDerWaalsContact O-N 3.1Å; A171-K174 PolarHBondContact O-N 2.75Å; V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 PolarHBondContact O-N 3.47Å
175D67.7Low67.8Low99 Ų9989.3 Ų89.353%0.52951%0.512SS..Hα-helixtrans-85-17.7-177.6-63.8-22.4000113.2A171 V172 L173 F177A171-D175 PolarHBondContact O-N 3.3Å; V172-D175 PolarHBondContact O-N 3.27Å; V172-D175 VanDerWaalsContact O-N 3.13Å; L173-D175 VanDerWaalsContact C-N 3.29Å; D175-F177 PolarHBondContact O-N 2.89Å
176D60.4Low65.8Low93 Ų9398 Ų9850%0.49756%0.557SS.*THydrogen-bonded Turntrans-75.93.3177.5-80-31.8000114.4V172V172-D176 PolarHBondContact O-N 3.07Å
177F50.1Low63.4Low168 Ų168101.4 Ų101.474%0.73759%0.593SS**THydrogen-bonded Turntrans-82.7120.9164.1-122.5-95.5000108.1D175 M179D175-F177 PolarHBondContact O-N 2.89Å; F177-M179 PolarHBondContact O-N 3.14Å
178P44.3Very low61.2Low123 Ų123104.9 Ų104.980%0.79962%0.619SS**THydrogen-bonded Turntrans-52.492.4-140.623.5-35.1000113.6G180P178-G180 PolarHBondContact O-N 3.11Å
179M40.9Very low58.8Low149 Ų149105.8 Ų105.873%0.73464%0.642SS**  trans-78.7106.9150.7-78.8-128.9-77.900106.9F177 L181F177-M179 PolarHBondContact O-N 3.14Å; M179-L181 PolarHBondContact O-N 2.97Å
180G40.1Very low56.4Low68 Ų68114.4 Ų114.470%0.70168%0.683SS**  trans-51.8134.5162.300000109.2P178P178-G180 PolarHBondContact O-N 3.11Å
181L39.3Very low54.2Low171 Ų171120.2 Ų120.290%0.89571%0.705SS**SBendtrans-2.6128.4159.7-120.177.9000115.4M179M179-L181 PolarHBondContact O-N 2.97Å
182S39.7Very low51.9Low102 Ų102130.1 Ų130.171%0.71373%0.731SS**  trans95.686.1169.275.60000116.9
183D44.8Very low50.1Low163 Ų163140.4 Ų140.487%0.87277%0.767SS**  174.196.6122.7-99.4-17.8000110.6
184A47.3Very low48.3Very low97 Ų97149.4 Ų149.480%0.80280%0.797SS**  trans-164.35715600000111.6
185C51.8Low46.9Very low130 Ų130147 Ų14788%0.87880%0.799SS**  trans-115.888.1150.2-75.10000108.1
186L50Low46Very low185 Ų185151.4 Ų151.497%0.96982%0.816SS**  trans-77.5132.1157.3-58.3172.7000106.7
187G43.2Very low45.4Very low76 Ų76155.6 Ų155.678%0.78483%0.833SS**  cis-169.394.31.600000110
188A47Very low45.5Very low100 Ų100154 Ų15483%0.82684%0.837SS**  trans-107.5114.8157.100000106.7E190A188-E190 PolarHBondContact O-N 3.15Å
189A40.1Very low45.6Very low91 Ų91152.5 Ų152.575%0.75283%0.827SS**  trans-54.6122.2175.600000110.2
190E42.2Very low46.2Very low182 Ų182153.3 Ų153.385%0.8583%0.833SS**  trans-172.9119.4147.2-103.5146.7-164.400114.9A188A188-E190 PolarHBondContact O-N 3.15Å
191R45.9Very low46.9Very low231 Ų231153.5 Ų153.587%0.87283%0.829SS**  trans48.298.3147.2-63.3-177.1178.3-106.9-0.6118.9R193R191-R193 PolarHBondContact O-N 3.25Å
192R40.6Very low48.1Very low261 Ų261149.8 Ų149.899%0.98581%0.807SS**  trans-14.9109.1154.4-63.1-173.8-170.2-108.93.9114.7
193R49.3Very low50.1Low240 Ų240151.4 Ų151.491%0.90680%0.801SS**  trans-125.5126.3151.3-80.3-169.8173.5-173.40.6108.8R191R191-R193 PolarHBondContact O-N 3.25Å
194R50.3Low51.9Low238 Ų238143.8 Ų143.890%0.89876%0.76SS**PPolyproline II helixtrans-53.1136.8176.4-85.1172.7163170.8-6110.5Q196R194-Q196 PolarHBondContact O-N 3.04Å
195P49.6Very low53.3Low121 Ų121147.3 Ų147.379%0.78676%0.758SS**PPolyproline II helixtrans-66.8119.5172.3-1327.5000109.5
196Q49.8Very low54.8Low190 Ų190144.2 Ų144.289%0.88874%0.738SS**PPolyproline II helixtrans-70.5126.9169.3-77172.8-14.100108.5R194 V198R194-Q196 PolarHBondContact O-N 3.04Å; Q196-V198 PolarHBondContact O-N 2.86Å
197Q48.3Very low56.4Low181 Ų181138.2 Ų138.285%0.84671%0.711SS**PPolyproline II helixtrans-56.3129.3176.7-66176.3-27.900110.2P199Q197-P199 WeakPolarHBondContact O-CD 3.08Å
198V50.8Low58.3Low135 Ų135136.7 Ų136.782%0.81870%0.695SS**PPolyproline II helixtrans-56.6120.2169.7-163.30000107.4Q196 L200Q196-V198 PolarHBondContact O-N 2.86Å; V198-L200 PolarHBondContact O-N 3.43Å
199P47.1Very low59.8Low92 Ų92133.2 Ų133.260%0.59767%0.669SS**  trans-70101.2-177.1-16.529.9000109.8Q197 A201 Q202Q197-P199 WeakPolarHBondContact O-CD 3.08Å; P199-A201 PolarHBondContact O-N 2.86Å; P199-A201 VanDerWaalsContact O-N 3.13Å; P199-Q202 HydrophobicContact CB-CG 4.23Å
200L53.3Low61.8Low165 Ų165134.5 Ų134.586%0.86466%0.662SS**  trans-49.1118.6154.3-81.9151.7000106.8V198 Q202V198-L200 PolarHBondContact O-N 3.43Å; L200-Q202 WeakPolarHBondContact O-CA 3.45Å; L200-Q202 PolarHBondContact O-N 3.44Å
201A55.7Low63.4Low73 Ų73129.7 Ų129.760%0.60366%0.662SS**  trans-12.893179.900000112.4P199 K203 L210P199-A201 PolarHBondContact O-N 2.86Å; P199-A201 VanDerWaalsContact O-N 3.13Å; A201-K203 PolarHBondContact O-N 3.34Å; A201-L210 HydrophobicContact CB-CD2 4.17Å; A201-L210 VanDerWaalsContact O-CD2 3.25Å; A201-L210 WeakPolarHBondContact O-CD2 3.35Å
202Q63.9Low65.3Low93 Ų93120.7 Ų120.744%0.43563%0.629SS.*PPolyproline II helixtrans-66116.9-171.8-86.1-179.9-48.700108.9P199 L200 F213P199-Q202 HydrophobicContact CB-CG 4.23Å; L200-Q202 WeakPolarHBondContact O-CA 3.45Å; L200-Q202 PolarHBondContact O-N 3.44Å; Q202-F213 VanDerWaalsContact OE1-CE1 3.25Å
203K80.7Confident67.2Low136 Ų136113.9 Ų113.959%0.59161%0.607SS**BIsolated β-bridgetrans-67141.2168.661.3-178.3-179-179.60110A201 F205 G208 G209 L210A201-K203 PolarHBondContact O-N 3.34Å; K203-F205 PolarHBondContact O-N 2.83Å; K203-G208 WeakPolarHBondContact CB-O 3.41Å; K203-G209 CarbonylContact C-O 3.54Å; K203-G209 WeakPolarHBondContact CA-O 3.37Å; K203-L210 HydrophobicContact CB-CD2 3.89Å
204C82.3Confident68.7Low3 Ų3104.4 Ų104.42%0.0258%0.58CS.*PPolyproline II helixtrans-59.2126.1173.1174.10000110.2S206 C207 G208 G209 H212 C217C204-S206 PolarHBondContact O-N 2.89Å; C204-S206 PolarHBondContact SG-N 3.49Å; C204-S206 VanDerWaalsContact SG-N 3.36Å; C204-C207 VanDerWaalsContact SG-SG 3.69Å; C204-G208 WeakPolarHBondContact O-CA 3.27Å; C204-G208 PolarHBondContact O-N 3.4Å; C204-G209 WeakPolarHBondContact CB-O 3.3Å; C204-G209 PolarHBondContact N-O 2.96Å; C204-H212 WeakPolarHBondContact CB-NE2 3.34Å; C204-H212 PolarHBondContact SG-NE2 3.48Å; C204-C217 PolarHBondContact SG-SG 3.49Å
205F78.5Confident70.2Confident170 Ų170104.5 Ų104.575%0.74658%0.58SS**THydrogen-bonded Turntrans-69.3-9.6178.4-68.3-85.3000114K203 A214K203-F205 PolarHBondContact O-N 2.83Å; F205-A214 HydrophobicContact CB-CB 4.16Å
206S81.4Confident71.7Confident66 Ų66103.9 Ų103.946%0.46257%0.571SS.*THydrogen-bonded Turntrans-98.9-40.8-179.8-146.10000113.1C204C204-S206 PolarHBondContact O-N 2.89Å; C204-S206 PolarHBondContact SG-N 3.49Å; C204-S206 VanDerWaalsContact SG-N 3.36Å
207C85.4Confident73.4Confident59 Ų5996.1 Ų96.140%0.39954%0.537SS..THydrogen-bonded Turntrans-121-8.3-177.6730000114.7C204 G209 H212 C217 T219C204-C207 VanDerWaalsContact SG-SG 3.69Å; C207-G209 VanDerWaalsContact C-N 3.26Å; C207-G209 PolarHBondContact O-N 3.36Å; C207-G209 PolarHBondContact SG-N 3.21Å; C207-G209 VanDerWaalsContact SG-N 3.37Å; C207-H212 PolarHBondContact SG-NE2 3.26Å; C207-H212 VanDerWaalsContact SG-NE2 3.37Å; C207-C217 PolarHBondContact SG-SG 3.4Å; C207-T219 VanDerWaalsContact CB-OG1 3.3Å; C207-T219 WeakPolarHBondContact CB-OG1 3.39Å
208G81.4Confident75Confident43 Ų4392.7 Ų92.744%0.44353%0.531SS..  trans78.2-3.7-176.300000115.7K203 C204K203-G208 WeakPolarHBondContact CB-O 3.41Å; C204-G208 WeakPolarHBondContact O-CA 3.27Å; C204-G208 PolarHBondContact O-N 3.4Å
209G79Confident76.2Confident27 Ų2789.7 Ų89.728%0.27851%0.513SS..  trans-67.9147.317900000113.4K203 C204 C207K203-G209 CarbonylContact C-O 3.54Å; K203-G209 WeakPolarHBondContact CA-O 3.37Å; C204-G209 WeakPolarHBondContact CB-O 3.3Å; C204-G209 PolarHBondContact N-O 2.96Å; C207-G209 VanDerWaalsContact C-N 3.26Å; C207-G209 PolarHBondContact O-N 3.36Å; C207-G209 PolarHBondContact SG-N 3.21Å; C207-G209 VanDerWaalsContact SG-N 3.37Å
210L81.5Confident77.2Confident119 Ų11990.4 Ų90.462%0.62352%0.517SS*.BIsolated β-bridgetrans-85.6154.2175.5-60.5172.2000110.5A201 K203A201-L210 HydrophobicContact CB-CD2 4.17Å; A201-L210 VanDerWaalsContact O-CD2 3.25Å; A201-L210 WeakPolarHBondContact O-CD2 3.35Å; K203-L210 HydrophobicContact CB-CD2 3.89Å
211G77.5Confident77.5Confident81 Ų8193 Ų9384%0.83552%0.516SS*.SBendtrans90.66.4171.900000116.6
212H84.5Confident77.5Confident41 Ų4198.2 Ų98.219%0.1953%0.528CS..SBendtrans-151.8155.8171.765.2-83.8000111.8C204 C207 D216 C217C204-H212 WeakPolarHBondContact CB-NE2 3.34Å; C204-H212 PolarHBondContact SG-NE2 3.48Å; C207-H212 PolarHBondContact SG-NE2 3.26Å; C207-H212 VanDerWaalsContact SG-NE2 3.37Å; H212-D216 HydrophobicContact CB-CB 4.35Å; H212-C217 VanDerWaalsContact CD2-CA 3.44Å; H212-C217 WeakPolarHBondContact CD2-CA 3.33Å; H212-C217 PolarHBondContact NE2-SG 3.42Å; H212-C217 VanDerWaalsContact NE2-SG 3.43Å
213F81Confident76.8Confident118 Ų11898.9 Ų98.952%0.51854%0.542SS..  trans-86.4161.7173.8-68.2-80.8000111.2Q202 R215 D216 C217Q202-F213 VanDerWaalsContact OE1-CE1 3.25Å; F213-R215 PolarHBondContact O-N 3.44Å; F213-D216 CarbonylContact O-C 3.56Å; F213-D216 PolarHBondContact O-N 3.19Å; F213-C217 PolarHBondContact O-N 3.11Å
214A81.6Confident75.5Confident42 Ų4298.3 Ų98.335%0.34755%0.553SS.*THydrogen-bonded Turntrans-57.8-14.7176.800000114.4F205F205-A214 HydrophobicContact CB-CB 4.16Å
215R80.2Confident73.8Confident239 Ų239105.6 Ų105.690%0.90259%0.591SS**THydrogen-bonded Turntrans-78.5-28.7173.7-63.5-177.5164.8-159.5-5.5113F213F213-R215 PolarHBondContact O-N 3.44Å
216D81.9Confident72.2Confident108 Ų108102.3 Ų102.358%0.57860%0.595SS**SBendtrans-110.322.6-175.6-49.1-51.7000111.1H212 F213 P218H212-D216 HydrophobicContact CB-CB 4.35Å; F213-D216 CarbonylContact O-C 3.56Å; F213-D216 PolarHBondContact O-N 3.19Å; D216-P218 WeakPolarHBondContact O-CD 3.46Å
217C84.7Confident70.2Confident27 Ų27102.6 Ų102.618%0.18261%0.609CS.*  trans-73.7118.7-175.2-167.50000110.9C204 C207 H212 F213 T219C204-C217 PolarHBondContact SG-SG 3.49Å; C207-C217 PolarHBondContact SG-SG 3.4Å; H212-C217 VanDerWaalsContact CD2-CA 3.44Å; H212-C217 WeakPolarHBondContact CD2-CA 3.33Å; H212-C217 PolarHBondContact NE2-SG 3.42Å; H212-C217 VanDerWaalsContact NE2-SG 3.43Å; F213-C217 PolarHBondContact O-N 3.11Å; C217-T219 PolarHBondContact O-N 3.05Å; C217-T219 PolarHBondContact SG-OG1 3.47Å
218P82.2Confident68.2Low110 Ų110108.7 Ų108.771%0.71463%0.631SS**  trans-73-8.2-179.930-34.8000112.9D216D216-P218 WeakPolarHBondContact O-CD 3.46Å
219T76.4Confident66.7Low72 Ų72111.8 Ų111.844%0.44264%0.644SS.*SBendtrans-84.6125.2-179.5-11.20000110.4C207 C217 R221C207-T219 VanDerWaalsContact CB-OG1 3.3Å; C207-T219 WeakPolarHBondContact CB-OG1 3.39Å; C217-T219 PolarHBondContact O-N 3.05Å; C217-T219 PolarHBondContact SG-OG1 3.47Å; T219-R221 PolarHBondContact O-N 3.47Å
220P68.7Low65.2Low107 Ų107116.7 Ų116.770%0.69567%0.671SS**  trans-59.2133.4173.5-19.430.2000110.2Q222P220-Q222 PolarHBondContact O-N 2.99Å
221R59.1Low63.5Low220 Ų220122.2 Ų122.283%0.8368%0.683SS**  trans-59104.2172.6-73.8-176.9175.6-166.6-0.6109T219 S223T219-R221 PolarHBondContact O-N 3.47Å; R221-S223 PolarHBondContact O-N 2.89Å
222Q56.2Low62Low182 Ų182122.8 Ų122.885%0.8568%0.68SS**  trans-76.8104.5161.5-65.8-175.922.900106.3P220 P224P220-Q222 PolarHBondContact O-N 2.99Å; Q222-P224 WeakPolarHBondContact O-CD 3.47Å
223S49.1Very low60.4Low106 Ų106129.5 Ų129.574%0.74171%0.711SS**  trans-57.9119.3165.945.70000107.9R221 D225R221-S223 PolarHBondContact O-N 2.89Å; S223-D225 PolarHBondContact O-N 3.08Å
224P52.9Low58.9Low125 Ų125128.3 Ų128.381%0.81272%0.723SS**  trans-63.5133.7170-7.722.4000107.9Q222Q222-P224 WeakPolarHBondContact O-CD 3.47Å
225D47.4Very low57.2Low155 Ų155137.8 Ų137.883%0.82975%0.75SS**  trans-34.1128.4179.3-80.1-59.3000115.8S223S223-D225 PolarHBondContact O-N 3.08Å
226A45.3Very low55.7Low101 Ų101138.4 Ų138.484%0.83575%0.752SS**  20.3111.4128.900000117.5
227G39.3Very low54.1Low72 Ų72145.3 Ų145.374%0.74277%0.77SS**  trans156.951.1152.700000118.4
228E42.8Very low52.1Low187 Ų187147.5 Ų147.587%0.87480%0.797SS**  trans-163.4140.2150.1-125.2170.1120.300113
229P49.8Very low50.5Low108 Ų108154.4 Ų154.470%0.70181%0.809SS**  trans-87.4161.2-170.128.4-18.1000113.4
230P46.9Very low49.3Very low130 Ų130160.4 Ų160.484%0.84483%0.832SS**  trans-81126.4-167.531.6-32.5000112.4
231R47Very low48.2Very low236 Ų236158.6 Ų158.689%0.89183%0.832SS**  trans-83.3113168-72-170.8-179.8178.42.8110.7
232A44.8Very low47.8Very low92 Ų92159 Ų15976%0.7683%0.834SS**  trans-80.3120.4166.200000110.7
233H52Low47.5Very low183 Ų183161.3 Ų161.385%0.84784%0.835SS**  trans-126.294.3164.3-92.7-7.5000111.9
234A47.9Very low47.3Very low93 Ų93168.4 Ų168.477%0.76985%0.845SS**  trans37.3104.813100000119.5
235R47.5Very low46.9Very low240 Ų240166.1 Ų166.191%0.90685%0.845SS**  trans-18.6130.5147.1-61.3174.1174.7-177.7-2.1115.9
236R48.7Very low46.9Very low253 Ų253163.3 Ų163.396%0.95584%0.843SS**  trans-132.6116141.7-95.9-171.3177.4-1311.3111
237R47Very low47Very low253 Ų253163.7 Ų163.796%0.95584%0.84SS**  trans-69.2148.3170.2-76.7176.8163.5-167.8-4.3110.6
238G42.8Very low47.2Very low73 Ų73169.4 Ų169.475%0.75385%0.847SS**  trans131.310414000000116.2
239R49.6Very low47.4Very low255 Ų255164.9 Ų164.996%0.96284%0.842SS**  -168.8108.9123.3-120.4176.2172.4-172.3-2.7110.9
240Q51.4Low47.6Very low198 Ų198164.6 Ų164.693%0.92585%0.848SS**  trans-81.3142164.9-75.8173.3-4.200110
241G45.6Very low48Very low68 Ų68165.3 Ų165.370%0.70185%0.845SS**  trans-163.2101.8153.100000107.7
242R50.7Low48.6Very low229 Ų229159.8 Ų159.886%0.86484%0.837SS**  53.111685.6-83.9-168.2179.1-162.6-0.8110.5
243R48.8Very low48.9Very low231 Ų231158.6 Ų158.687%0.87283%0.834SS**  cis-160.4155.644.9-83.8174.1174.1-170.9-2.3112.5
244R45.5Very low49.2Very low254 Ų254157.9 Ų157.996%0.95884%0.837SS**  trans-84.8158.4170.8-85.9178166.2-169.4-4.6112.8
245G43.4Very low49.6Very low78 Ų78162.2 Ų162.280%0.80484%0.841SS**  trans136.6135.6155.600000111.2
246A47.7Very low50Low96 Ų96154.1 Ų154.179%0.79383%0.832SS**  cis-166.9155.4-1.500000108.5
247S48.2Very low50.7Low109 Ų109150.3 Ų150.376%0.76283%0.831SS**  trans44.8121.2153.9-600000121
248E43.9Very low51.3Low192 Ų192142.2 Ų142.290%0.89782%0.818SS**  85.2105.158.6-165.4176.1175.600113.9
249A47Very low52Low91 Ų91146.8 Ų146.875%0.75283%0.825SS**  trans-179.7111.3152.700000107
250A53.2Low52.7Low102 Ų102138.4 Ų138.484%0.84382%0.818SS**  61.6133.99700000112.4
251D56Low52.5Low146 Ų146142.2 Ų142.278%0.78184%0.836SS**  cis-179.6167.59.1174.926.1000105.5
252V58.5Low52.8Low119 Ų119145.9 Ų145.972%0.72184%0.842SS**  trans71.7119.9163.4-157.90000116.6
253G50.8Low52.9Low68 Ų68141.5 Ų141.570%0.70184%0.841SS**  cis101.584.919.500000111.4
254N58.6Low53.2Low168 Ų168136.6 Ų136.690%0.89884%0.84SS**  trans-166.2140.3137.5-146.99.2000113.5
255Q56.2Low53.6Low183 Ų183129.6 Ų129.686%0.85583%0.833SS**  trans-99.6159.3173.2-69.7174.4-2.700110.3
256G57.4Low54.3Low70 Ų70132.9 Ų132.972%0.72283%0.834SS**  trans99.6113.5150.400000115.9
257N61.9Low54.7Low173 Ų173135.3 Ų135.393%0.92584%0.837SS**  -165.8142.987.5-119.61.8000111.3
258A61.1Low55.2Low83 Ų83137.2 Ų137.269%0.68684%0.842SS**  trans-89.6153.3170.700000110.5
259D56.1Low56Low170 Ų170133 Ų13391%0.90984%0.838SS**  trans-3134.3155.3-54.7-50.7000119.2
260G63.8Low56.8Low78 Ų78136.5 Ų136.580%0.80485%0.845SS**  trans-136.5135.6159.300000108.8
261E47.8Very low57.1Low278 Ų278139.6 Ų139.6100%1.29985%0.846SS**  trans-52.90173.4-65.8166102.900114.7

Retrieved 261 of 261 residues in 1313.1 ms (Link to these results)

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