A0A077ZDU2_TRITR Loading...

Rad21 Rec8 N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDU2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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
1M47.6Very low60.6Low230 Ų230121.7 Ų121.7100%1.13358%0.578SS**  0130.80-80.1-160.4162.600108.9
2F50.5Low61.7Low186 Ų186113.3 Ų113.382%0.81655%0.547SS*.  trans-83135.2-178.6-87.7-91.3000111.1T4F2-T4 PolarHBondContact O-N 3.29Å
3F59.5Low62.9Low57 Ų57109.5 Ų109.525%0.2554%0.537CS..THydrogen-bonded Turntrans-70.425.7-179-58.6-73.1000114.4Q5 Y6 V7 V49 N50 A52F3-Q5 PolarHBondContact O-N 3Å; F3-Q5 VanDerWaalsContact O-N 3.11Å; F3-Y6 PolarHBondContact O-N 3.02Å; F3-V7 HydrophobicContact CB-CG2 4.41Å; F3-V7 PolarHBondContact O-N 3.22Å; F3-V7 VanDerWaalsContact O-N 3.11Å; F3-V49 HydrophobicContact CD1-CG1 3.98Å; F3-V49 HydrophobicContact CE1-CG1 3.78Å; F3-N50 WeakPolarHBondContact CE1-O 3.39Å; F3-N50 WeakPolarHBondContact CZ-O 3.39Å; F3-A52 HydrophobicContact CD2-CB 4.36Å; F3-A52 HydrophobicContact CE2-CB 3.94Å
4T64Low64.4Low67 Ų67102.1 Ų102.141%0.41150%0.501SS..Hα-helixtrans-50.3-40.2-177.5-54.10000110.8F2 Y6 L8F2-T4 PolarHBondContact O-N 3.29Å; T4-Y6 VanDerWaalsContact C-N 3.31Å; T4-Y6 PolarHBondContact O-N 2.84Å; T4-L8 HydrophobicContact CG2-CB 4.19Å; T4-L8 HydrophobicContact CG2-CD1 3.3Å; T4-L8 HydrophobicContact CG2-CG 4.35Å; T4-L8 WeakPolarHBondContact O-CA 3.45Å; T4-L8 WeakPolarHBondContact O-CB 3.36Å; T4-L8 PolarHBondContact O-N 2.84Å
5Q63.8Low65.7Low169 Ų16996.8 Ų96.879%0.7948%0.48SS*.Hα-helixtrans-65.1-32.1-178.1-61.2-63-5.100113.8F3 A9F3-Q5 PolarHBondContact O-N 3Å; F3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-A9 VanDerWaalsContact O-CB 3.24Å; Q5-A9 WeakPolarHBondContact O-CB 3.17Å; Q5-A9 PolarHBondContact O-N 2.93Å
6Y64.3Low66.9Low83 Ų8394.9 Ų94.933%0.32547%0.468SS..Hα-helixtrans-88-39.4-178.9-162.6-104.2000111.7F3 T4 L14 M51F3-Y6 PolarHBondContact O-N 3.02Å; T4-Y6 VanDerWaalsContact C-N 3.31Å; T4-Y6 PolarHBondContact O-N 2.84Å; Y6-L14 HydrophobicContact CD1-CD2 3.51Å; Y6-L14 HydrophobicContact CE1-CD2 3.69Å; Y6-M51 HydrophobicContact CD1-SD 4.21Å
7V64.1Low68.2Low5 Ų589.5 Ų89.53%0.0344%0.442CS..Hα-helixtrans-81.2-37.6-177.1-178.90000112.3F3 L14 W18 L59F3-V7 HydrophobicContact CB-CG2 4.41Å; F3-V7 PolarHBondContact O-N 3.22Å; F3-V7 VanDerWaalsContact O-N 3.11Å; V7-L14 HydrophobicContact CG2-CD2 4.09Å; V7-W18 HydrophobicContact CG1-CB 3.76Å; V7-W18 HydrophobicContact CG1-CD2 3.92Å; V7-W18 HydrophobicContact CG1-CG 3.31Å; V7-L59 HydrophobicContact CG1-CD2 4.47Å
8L62.8Low69.3Low78 Ų7889.2 Ų89.241%0.40844%0.435SS..SBendtrans-102.29.6-178.3-69.2142.7000113.4T4 K10 W18T4-L8 HydrophobicContact CG2-CB 4.19Å; T4-L8 HydrophobicContact CG2-CD1 3.3Å; T4-L8 HydrophobicContact CG2-CG 4.35Å; T4-L8 WeakPolarHBondContact O-CA 3.45Å; T4-L8 WeakPolarHBondContact O-CB 3.36Å; T4-L8 PolarHBondContact O-N 2.84Å; L8-K10 PolarHBondContact O-N 3.43Å; L8-W18 HydrophobicContact CD2-CE3 3.93Å; L8-W18 HydrophobicContact CD2-CH2 3.88Å; L8-W18 HydrophobicContact CD2-CZ3 3.49Å; L8-W18 VanDerWaalsContact CD2-CZ3 3.49Å; L8-W18 HydrophobicContact CG-CE3 4.5Å; L8-W18 HydrophobicContact CG-CZ3 4.35Å
9A66Low70.2Confident44 Ų4487.1 Ų87.136%0.36443%0.425SS..  trans-56.9108.816700000108.5Q5 K11 G12 A15Q5-A9 VanDerWaalsContact O-CB 3.24Å; Q5-A9 WeakPolarHBondContact O-CB 3.17Å; Q5-A9 PolarHBondContact O-N 2.93Å; A9-K11 PolarHBondContact O-N 3.39Å; A9-G12 PolarHBondContact O-N 3.39Å; A9-A15 WeakPolarHBondContact O-CB 3.24Å
10K59.7Low71.1Confident207 Ų20782.8 Ų82.890%0.940%0.404SS*.THydrogen-bonded Turntrans-54-14.7-166.7-66.9-176.8175.1179.40115.7L8L8-K10 PolarHBondContact O-N 3.43Å
11K64.9Low71.8Confident213 Ų21379.1 Ų79.193%0.92639%0.388SS*.THydrogen-bonded Turntrans-119.17.2-177.7-78.8-172.4168.5175.40114.8A9A9-K11 PolarHBondContact O-N 3.39Å
12G73.7Confident73.7Confident21 Ų2172.1 Ų72.122%0.21635%0.352CS..SBendtrans-81.2151.3178.100000113.3A9 L14 A15A9-G12 PolarHBondContact O-N 3.39Å; G12-L14 PolarHBondContact O-N 2.93Å; G12-A15 WeakPolarHBondContact O-CB 3.22Å; G12-A15 PolarHBondContact O-N 3.3Å
13P76.6Confident75.4Confident64 Ų6471 Ų7142%0.41634%0.342SS..Hα-helixtrans-57-30.9169.724.7-33.3000111.4A15 K16 I17P13-A15 VanDerWaalsContact C-N 3.3Å; P13-A15 PolarHBondContact O-N 2.77Å; P13-K16 PolarHBondContact O-N 2.9Å; P13-I17 WeakPolarHBondContact O-CD1 3.4Å; P13-I17 PolarHBondContact O-N 3.49Å
14L83.6Confident76.1Confident5 Ų571.2 Ų71.23%0.02634%0.344CS..Hα-helixtrans-64.8-30.9177.5-156.763000113.6Y6 V7 G12 I17 W18 I44 M51 L59Y6-L14 HydrophobicContact CD1-CD2 3.51Å; Y6-L14 HydrophobicContact CE1-CD2 3.69Å; V7-L14 HydrophobicContact CG2-CD2 4.09Å; G12-L14 PolarHBondContact O-N 2.93Å; L14-I17 HydrophobicContact CD1-CD1 4.39Å; L14-I17 PolarHBondContact O-N 3.44Å; L14-W18 WeakPolarHBondContact O-CB 3.34Å; L14-W18 PolarHBondContact O-N 3.21Å; L14-I44 HydrophobicContact CD1-CD1 4.47Å; L14-I44 HydrophobicContact CD1-CG1 4.21Å; L14-M51 HydrophobicContact CD2-SD 4.36Å; L14-L59 HydrophobicContact CD1-CD1 3.84Å; L14-L59 HydrophobicContact CD1-CD2 3.55Å; L14-L59 HydrophobicContact CD1-CG 4.17Å; L14-L59 HydrophobicContact CD2-CD1 4.11Å; L14-L59 HydrophobicContact CD2-CD2 4.49Å; L14-L59 HydrophobicContact CG-CD1 4.23Å; L14-L59 HydrophobicContact CG-CD2 3.79Å
15A84.6Confident76.7Confident23 Ų2375.3 Ų75.319%0.1936%0.356CS..Hα-helixtrans-67.7-39.5179.500000111.7A9 G12 P13 I17 W18 L19A9-A15 WeakPolarHBondContact O-CB 3.24Å; G12-A15 WeakPolarHBondContact O-CB 3.22Å; G12-A15 PolarHBondContact O-N 3.3Å; P13-A15 VanDerWaalsContact C-N 3.3Å; P13-A15 PolarHBondContact O-N 2.77Å; A15-I17 VanDerWaalsContact C-N 3.3Å; A15-I17 PolarHBondContact O-N 2.98Å; A15-W18 PolarHBondContact O-N 3.42Å; A15-L19 WeakPolarHBondContact O-CB 3.18Å; A15-L19 PolarHBondContact O-N 3.02Å
16K85.4Confident77.2Confident66 Ų6674.7 Ų74.729%0.28735%0.351SS..Hα-helixtrans-62.7-39.6176.3-62.9-173-176-174.50111.2P13 L19 A20 E34 T35P13-K16 PolarHBondContact O-N 2.9Å; K16-L19 WeakPolarHBondContact O-CB 2.8Å; K16-L19 PolarHBondContact O-N 3.48Å; K16-A20 PolarHBondContact O-N 2.92Å; K16-E34 IonicContact NZ-OE2 3.24Å; K16-E34 PolarHBondContact NZ-OE2 3.33Å; K16-T35 HydrophobicContact CB-CG2 3.5Å; K16-T35 HydrophobicContact CD-CG2 3.5Å; K16-T35 VanDerWaalsContact CD-CG2 3.5Å; K16-T35 HydrophobicContact CG-CG2 4.13Å
17I88.3Confident78Confident4 Ų471.4 Ų71.42%0.02134%0.339CS..Hα-helixtrans-71.4-42.2179.1-61.9159.5000111.2P13 L14 A15 L19 A20 A21 A40 L59 I63 I66P13-I17 WeakPolarHBondContact O-CD1 3.4Å; P13-I17 PolarHBondContact O-N 3.49Å; L14-I17 HydrophobicContact CD1-CD1 4.39Å; L14-I17 PolarHBondContact O-N 3.44Å; A15-I17 VanDerWaalsContact C-N 3.3Å; A15-I17 PolarHBondContact O-N 2.98Å; I17-L19 VanDerWaalsContact C-N 3.27Å; I17-L19 PolarHBondContact O-N 2.97Å; I17-A20 CarbonylContact O-C 3.59Å; I17-A20 WeakPolarHBondContact O-CB 3.33Å; I17-A20 PolarHBondContact O-N 2.67Å; I17-A20 VanDerWaalsContact O-N 3.12Å; I17-A21 PolarHBondContact O-N 2.86Å; I17-A40 HydrophobicContact CD1-CB 3.15Å; I17-A40 HydrophobicContact CG1-CB 4.39Å; I17-L59 HydrophobicContact CG2-CD2 4.28Å; I17-L59 VanDerWaalsContact CG2-O 3.22Å; I17-L59 WeakPolarHBondContact CG2-O 2.86Å; I17-I63 HydrophobicContact CD1-CG1 4.23Å; I17-I63 HydrophobicContact CG1-CG1 4.47Å; I17-I63 HydrophobicContact CG2-CG1 3.82Å; I17-I66 HydrophobicContact CB-CD1 4.45Å; I17-I66 HydrophobicContact CG1-CD1 3.98Å
18W88.1Confident79.1Confident83 Ų8374.5 Ų74.531%0.31436%0.358SS..Hα-helixtrans-64.1-37.2177.4-169.879000111.8V7 L8 L14 A15 A21 H22 L59V7-W18 HydrophobicContact CG1-CB 3.76Å; V7-W18 HydrophobicContact CG1-CD2 3.92Å; V7-W18 HydrophobicContact CG1-CG 3.31Å; L8-W18 HydrophobicContact CD2-CE3 3.93Å; L8-W18 HydrophobicContact CD2-CH2 3.88Å; L8-W18 HydrophobicContact CD2-CZ3 3.49Å; L8-W18 VanDerWaalsContact CD2-CZ3 3.49Å; L8-W18 HydrophobicContact CG-CE3 4.5Å; L8-W18 HydrophobicContact CG-CZ3 4.35Å; L14-W18 WeakPolarHBondContact O-CB 3.34Å; L14-W18 PolarHBondContact O-N 3.21Å; A15-W18 PolarHBondContact O-N 3.42Å; W18-A21 PolarHBondContact O-N 3.1Å; W18-H22 AromaticContact CD1-CE1 3.93Å; W18-H22 AromaticContact CE2-CE1 3.8Å; W18-H22 AromaticContact CE2-ND1 3.79Å; W18-H22 AromaticContact NE1-CE1 3.45Å; W18-H22 PolarHBondContact NE1-CE1 2.94Å; W18-H22 AromaticContact NE1-ND1 3.81Å; W18-H22 PolarHBondContact O-N 3.04Å; W18-H22 PolarHBondContact O-ND1 3.28Å; W18-H22 VanDerWaalsContact O-ND1 3.1Å; W18-L59 HydrophobicContact CB-CD2 4.07Å
19L87Confident80.3Confident49 Ų4975 Ų7526%0.25736%0.357SS..Hα-helixtrans-62-44.7170.1-171.670.1000111.2A15 K16 I17 A21 H22 W23 L27A15-L19 WeakPolarHBondContact O-CB 3.18Å; A15-L19 PolarHBondContact O-N 3.02Å; K16-L19 WeakPolarHBondContact O-CB 2.8Å; K16-L19 PolarHBondContact O-N 3.48Å; I17-L19 VanDerWaalsContact C-N 3.27Å; I17-L19 PolarHBondContact O-N 2.97Å; L19-A21 VanDerWaalsContact C-N 3.28Å; L19-A21 PolarHBondContact O-N 3.45Å; L19-H22 PolarHBondContact O-N 3.19Å; L19-W23 HydrophobicContact CD1-CB 4.03Å; L19-W23 HydrophobicContact CD1-CD2 4.07Å; L19-W23 HydrophobicContact CD1-CE3 3.54Å; L19-W23 HydrophobicContact CD1-CG 4.32Å; L19-W23 HydrophobicContact CD1-CZ3 4.3Å; L19-W23 CarbonylContact O-C 3.53Å; L19-W23 WeakPolarHBondContact O-CA 3.49Å; L19-W23 PolarHBondContact O-N 3.11Å; L19-L27 HydrophobicContact CD2-CD1 4.44Å
20A86.7Confident81.4Confident1 Ų175.5 Ų75.51%0.00836%0.361CS..Hα-helixtrans-63.2-33176.700000113.1K16 I17 L27 I66K16-A20 PolarHBondContact O-N 2.92Å; I17-A20 CarbonylContact O-C 3.59Å; I17-A20 WeakPolarHBondContact O-CB 3.33Å; I17-A20 PolarHBondContact O-N 2.67Å; I17-A20 VanDerWaalsContact O-N 3.12Å; A20-L27 HydrophobicContact CB-CD2 3.86Å; A20-I66 HydrophobicContact CB-CD1 3.63Å; A20-I66 HydrophobicContact CB-CG1 3.61Å
21A87.7Confident82.6Confident6 Ų668.7 Ų68.75%0.0533%0.332CS..Hα-helixtrans-66.8-36.9178.800000112.9I17 W18 L19 H58 R65I17-A21 PolarHBondContact O-N 2.86Å; W18-A21 PolarHBondContact O-N 3.1Å; L19-A21 VanDerWaalsContact C-N 3.28Å; L19-A21 PolarHBondContact O-N 3.45Å; A21-H58 VanDerWaalsContact CB-O 3.24Å; A21-H58 WeakPolarHBondContact CB-O 3.24Å; A21-R65 PolarHBondContact O-NH1 3.43Å; A21-R65 VanDerWaalsContact O-NH1 3.1Å
22H87Confident83.8Confident84 Ų8458.5 Ų58.539%0.38929%0.288SS..Hα-helixtrans-107.3-35-173.6-61.686.1000113.5W18 L19 H58W18-H22 AromaticContact CD1-CE1 3.93Å; W18-H22 AromaticContact CE2-CE1 3.8Å; W18-H22 AromaticContact CE2-ND1 3.79Å; W18-H22 AromaticContact NE1-CE1 3.45Å; W18-H22 PolarHBondContact NE1-CE1 2.94Å; W18-H22 AromaticContact NE1-ND1 3.81Å; W18-H22 PolarHBondContact O-N 3.04Å; W18-H22 PolarHBondContact O-ND1 3.28Å; W18-H22 VanDerWaalsContact O-ND1 3.1Å; L19-H22 PolarHBondContact O-N 3.19Å; H22-H58 AromaticContact NE2-ND1 3.78Å
23W85Confident84.5Confident162 Ų16262.4 Ų62.461%0.61430%0.297SS*.  trans-12252.8-171.2-68.80.9000111.9L19 K25 K26L19-W23 HydrophobicContact CD1-CB 4.03Å; L19-W23 HydrophobicContact CD1-CD2 4.07Å; L19-W23 HydrophobicContact CD1-CE3 3.54Å; L19-W23 HydrophobicContact CD1-CG 4.32Å; L19-W23 HydrophobicContact CD1-CZ3 4.3Å; L19-W23 CarbonylContact O-C 3.53Å; L19-W23 WeakPolarHBondContact O-CA 3.49Å; L19-W23 PolarHBondContact O-N 3.11Å; W23-K25 PolarHBondContact O-N 3.38Å; W23-K25 VanDerWaalsContact O-N 3.11Å; W23-K26 PolarHBondContact O-N 3.09Å; W23-K26 VanDerWaalsContact O-N 3.09Å
24E74.6Confident85.1Confident61 Ų6165 Ų6529%0.28530%0.303SS..G310 helixtrans-52.8-37.2-177.3-128.7-159.1117.700113.4K26 L27 R65 R69E24-K26 PolarHBondContact O-N 2.79Å; E24-L27 PolarHBondContact O-N 3.36Å; E24-R65 WeakPolarHBondContact OE2-CD 3.42Å; E24-R65 IonicContact OE2-CZ 3.51Å; E24-R65 IonicContact OE2-NE 3.49Å; E24-R65 PolarHBondContact OE2-NE 3.11Å; E24-R65 IonicContact OE2-NH1 3.51Å; E24-R69 VanDerWaalsContact CD-NH2 3.25Å; E24-R69 PolarHBondContact O-NH1 3.22Å; E24-R69 PolarHBondContact O-NH2 3.27Å; E24-R69 IonicContact OE1-CZ 2.72Å; E24-R69 VanDerWaalsContact OE1-CZ 3.24Å; E24-R69 IonicContact OE1-NE 2.96Å; E24-R69 PolarHBondContact OE1-NE 2.95Å; E24-R69 IonicContact OE1-NH2 2.71Å; E24-R69 PolarHBondContact OE1-NH2 3.1Å
25K76.6Confident85.3Confident153 Ų15365.1 Ų65.167%0.66530%0.304SS*.G310 helixtrans-68.8-17.8-176.3-62.9-173.4178-176.60114W23W23-K25 PolarHBondContact O-N 3.38Å; W23-K25 VanDerWaalsContact O-N 3.11Å
26K75.8Confident85.5Confident157 Ų15769.1 Ų69.168%0.68332%0.323SS*.G310 helixtrans-105.85.5-177.3-68.8-169.5174.3-1750114.1W23 E24W23-K26 PolarHBondContact O-N 3.09Å; W23-K26 VanDerWaalsContact O-N 3.09Å; E24-K26 PolarHBondContact O-N 2.79Å
27L80.5Confident85.7Confident13 Ų1366.9 Ų66.97%0.06831%0.314CS..  trans-83.6117.4-179-170.472.8000110.3L19 A20 E24 Q31 V32 I66L19-L27 HydrophobicContact CD2-CD1 4.44Å; A20-L27 HydrophobicContact CB-CD2 3.86Å; E24-L27 PolarHBondContact O-N 3.36Å; L27-Q31 HydrophobicContact CD1-CB 3.83Å; L27-Q31 HydrophobicContact CG-CB 4.38Å; L27-V32 HydrophobicContact CD2-CG2 3.43Å; L27-V32 VanDerWaalsContact CD2-CG2 3.43Å; L27-V32 HydrophobicContact CG-CG2 3.79Å; L27-I66 HydrophobicContact CD2-CG1 4.27Å
28T86.8Confident85.8Confident71 Ų7171.4 Ų71.444%0.43634%0.338SS..  trans-73.9153.2-178.766.50000111.8A30 Q31 V32T28-A30 PolarHBondContact O-N 3.11Å; T28-Q31 VanDerWaalsContact N-OE1 3.14Å; T28-Q31 PolarHBondContact O-N 3Å; T28-Q31 VanDerWaalsContact O-N 3.09Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.33Å; T28-Q31 PolarHBondContact OG1-N 2.9Å; T28-Q31 PolarHBondContact OG1-OE1 3.36Å; T28-V32 PolarHBondContact O-N 3.11Å; T28-V32 VanDerWaalsContact O-N 3.13Å
29K87.1Confident85.7Confident89 Ų8969.5 Ų69.539%0.38734%0.337SS..Hα-helixtrans-54.1-41.4176.2-166.5-178.3-169-164.50111.2Q31 V32 Y33 Y73 D77K29-Q31 PolarHBondContact O-N 2.79Å; K29-V32 WeakPolarHBondContact O-CB 3.44Å; K29-V32 PolarHBondContact O-N 3.08Å; K29-Y33 HydrophobicContact CD-CE2 3.85Å; K29-Y33 VanDerWaalsContact CE-CE2 3.49Å; K29-Y33 WeakPolarHBondContact CE-OH 3.47Å; K29-Y33 HydrophobicContact CG-CD2 4Å; K29-Y33 HydrophobicContact CG-CE2 3.52Å; K29-Y33 PolarHBondContact NZ-OH 3.15Å; K29-Y33 WeakPolarHBondContact O-CD2 3.49Å; K29-Y33 PolarHBondContact O-N 3.46Å; K29-Y33 VanDerWaalsContact O-N 3.12Å; K29-Y73 HydrophobicContact CB-CE2 4.37Å; K29-Y73 HydrophobicContact CG-CD2 3.95Å; K29-Y73 HydrophobicContact CG-CE1 4.39Å; K29-Y73 HydrophobicContact CG-CE2 3.72Å; K29-Y73 HydrophobicContact CG-CG 4.39Å; K29-D77 IonicContact NZ-OD1 3.27Å; K29-D77 PolarHBondContact NZ-OD1 3.1Å
30A89.2Confident85.7Confident54 Ų5467.2 Ų67.245%0.44633%0.325SS..Hα-helixtrans-59.9-45.6176.100000112.9T28 V32 Y33 E34T28-A30 PolarHBondContact O-N 3.11Å; A30-V32 VanDerWaalsContact C-N 3.3Å; A30-V32 PolarHBondContact O-N 3.45Å; A30-Y33 PolarHBondContact O-N 3.4Å; A30-E34 WeakPolarHBondContact O-CG 3.48Å; A30-E34 PolarHBondContact O-N 2.94Å
31Q86.5Confident85.8Confident63 Ų6368.1 Ų68.129%0.29433%0.33SS..Hα-helixtrans-62.6-37.7177.8-74.1168.3-14.600112.1L27 T28 K29 T35L27-Q31 HydrophobicContact CD1-CB 3.83Å; L27-Q31 HydrophobicContact CG-CB 4.38Å; T28-Q31 VanDerWaalsContact N-OE1 3.14Å; T28-Q31 PolarHBondContact O-N 3Å; T28-Q31 VanDerWaalsContact O-N 3.09Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.33Å; T28-Q31 PolarHBondContact OG1-N 2.9Å; T28-Q31 PolarHBondContact OG1-OE1 3.36Å; K29-Q31 PolarHBondContact O-N 2.79Å; Q31-T35 VanDerWaalsContact O-CG2 3.24Å; Q31-T35 WeakPolarHBondContact O-CG2 3.22Å; Q31-T35 PolarHBondContact O-N 3.3Å
32V88.4Confident85.8Confident0 Ų073.9 Ų73.90%036%0.356CS..Hα-helixtrans-61.2-47.3174.5176.90000110.4L27 T28 K29 A30 T35 I66 R69 K70 Y73L27-V32 HydrophobicContact CD2-CG2 3.43Å; L27-V32 VanDerWaalsContact CD2-CG2 3.43Å; L27-V32 HydrophobicContact CG-CG2 3.79Å; T28-V32 PolarHBondContact O-N 3.11Å; T28-V32 VanDerWaalsContact O-N 3.13Å; K29-V32 WeakPolarHBondContact O-CB 3.44Å; K29-V32 PolarHBondContact O-N 3.08Å; A30-V32 VanDerWaalsContact C-N 3.3Å; A30-V32 PolarHBondContact O-N 3.45Å; V32-T35 PolarHBondContact O-N 3.15Å; V32-T35 PolarHBondContact O-OG1 3.34Å; V32-I66 HydrophobicContact CG1-CG2 4.34Å; V32-R69 HydrophobicContact CG1-CB 4.19Å; V32-K70 HydrophobicContact CG1-CG 3.6Å; V32-K70 WeakPolarHBondContact O-CE 3.45Å; V32-Y73 HydrophobicContact CB-CE2 4.04Å; V32-Y73 HydrophobicContact CG1-CD2 4.2Å; V32-Y73 HydrophobicContact CG1-CE2 3.93Å; V32-Y73 HydrophobicContact CG2-CE2 4.15Å
33Y88.9Confident85.6Confident102 Ų10270.8 Ų70.840%0.434%0.343SS..Hα-helixtrans-65.9-40.7179.6-73.9-63.2000113.3K29 A30 T35 Y73 D77K29-Y33 HydrophobicContact CD-CE2 3.85Å; K29-Y33 VanDerWaalsContact CE-CE2 3.49Å; K29-Y33 WeakPolarHBondContact CE-OH 3.47Å; K29-Y33 HydrophobicContact CG-CD2 4Å; K29-Y33 HydrophobicContact CG-CE2 3.52Å; K29-Y33 PolarHBondContact NZ-OH 3.15Å; K29-Y33 WeakPolarHBondContact O-CD2 3.49Å; K29-Y33 PolarHBondContact O-N 3.46Å; K29-Y33 VanDerWaalsContact O-N 3.12Å; A30-Y33 PolarHBondContact O-N 3.4Å; Y33-T35 PolarHBondContact O-N 3.33Å; Y33-Y73 WeakPolarHBondContact OH-CB 3.41Å; Y33-D77 PolarHBondContact OH-OD2 2.87Å
34E89.4Confident85.6Confident118 Ų11863.7 Ų63.755%0.55132%0.317SS*.Hα-helixtrans-68.1-17179.3-71.8176.6-171.500114.2K16 A30 N36K16-E34 IonicContact NZ-OE2 3.24Å; K16-E34 PolarHBondContact NZ-OE2 3.33Å; A30-E34 WeakPolarHBondContact O-CG 3.48Å; A30-E34 PolarHBondContact O-N 2.94Å; E34-N36 PolarHBondContact O-N 2.89Å
35T87.3Confident86.1Confident8 Ų862.9 Ų62.95%0.04932%0.315CS..  trans-77.2116.8-179.352.30000111.5K16 Q31 V32 Y33 I37 I66 K70K16-T35 HydrophobicContact CB-CG2 3.5Å; K16-T35 HydrophobicContact CD-CG2 3.5Å; K16-T35 VanDerWaalsContact CD-CG2 3.5Å; K16-T35 HydrophobicContact CG-CG2 4.13Å; Q31-T35 VanDerWaalsContact O-CG2 3.24Å; Q31-T35 WeakPolarHBondContact O-CG2 3.22Å; Q31-T35 PolarHBondContact O-N 3.3Å; V32-T35 PolarHBondContact O-N 3.15Å; V32-T35 PolarHBondContact O-OG1 3.34Å; Y33-T35 PolarHBondContact O-N 3.33Å; T35-I37 PolarHBondContact O-N 3.49Å; T35-I66 HydrophobicContact CG2-CD1 4.33Å; T35-I66 WeakPolarHBondContact OG1-CG2 3.48Å; T35-K70 PolarHBondContact O-NZ 3.18Å
36N89.7Confident86.4Confident108 Ų10862.2 Ų62.258%0.57832%0.318SS*.  trans-84.4112.7173.2-67.2-37.2000110.1E34 S39 A40E34-N36 PolarHBondContact O-N 2.89Å; N36-S39 VanDerWaalsContact CB-OG 3.27Å; N36-S39 WeakPolarHBondContact CB-OG 3.42Å; N36-S39 PolarHBondContact O-OG 3.35Å; N36-A40 PolarHBondContact O-N 3.03Å
37I90.2Very high86.4Confident18 Ų1856.6 Ų56.69%0.09230%0.298CS..Hα-helixtrans-68.1-40.5-177.5-60.9171.6000110.5T35 S39 A40 I41 I63 H67 K70 E208T35-I37 PolarHBondContact O-N 3.49Å; I37-S39 PolarHBondContact O-N 3.42Å; I37-A40 WeakPolarHBondContact O-CB 3.47Å; I37-A40 PolarHBondContact O-N 3.49Å; I37-A40 VanDerWaalsContact O-N 3.13Å; I37-I41 HydrophobicContact CG2-CD1 3.79Å; I37-I41 HydrophobicContact CG2-CG1 4.39Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.12Å; I37-I63 HydrophobicContact CG2-CG2 3.71Å; I37-H67 HydrophobicContact CD1-CB 4.02Å; I37-K70 HydrophobicContact CD1-CD 4.02Å; I37-E208 VanDerWaalsContact CG2-OE1 3.25Å; I37-E208 WeakPolarHBondContact CG2-OE1 3.3Å
38D90.1Very high86.1Confident100 Ų10065 Ų6554%0.53533%0.334SS..Hα-helixtrans-59.7-49.8-180-52.4-89000111.6A40 I41 E42D38-A40 PolarHBondContact O-N 3.01Å; D38-I41 PolarHBondContact O-N 3.35Å; D38-I41 VanDerWaalsContact O-N 3.14Å; D38-E42 WeakPolarHBondContact O-CG 3.42Å; D38-E42 PolarHBondContact O-N 3.38Å
39S86.5Confident85.4Confident42 Ų4265.1 Ų65.129%0.29434%0.335SS..Hα-helixtrans-62.3-30.1179.171.20000112.9N36 I37 S43N36-S39 VanDerWaalsContact CB-OG 3.27Å; N36-S39 WeakPolarHBondContact CB-OG 3.42Å; N36-S39 PolarHBondContact O-OG 3.35Å; I37-S39 PolarHBondContact O-N 3.42Å; S39-S43 PolarHBondContact O-N 2.96Å
40A86.2Confident84.9Confident1 Ų167.7 Ų67.71%0.00835%0.353CS..Hα-helixtrans-68.3-46.8176.800000111.6I17 N36 I37 D38 S43 I44 I63I17-A40 HydrophobicContact CD1-CB 3.15Å; I17-A40 HydrophobicContact CG1-CB 4.39Å; N36-A40 PolarHBondContact O-N 3.03Å; I37-A40 WeakPolarHBondContact O-CB 3.47Å; I37-A40 PolarHBondContact O-N 3.49Å; I37-A40 VanDerWaalsContact O-N 3.13Å; D38-A40 PolarHBondContact O-N 3.01Å; A40-S43 PolarHBondContact O-N 3.48Å; A40-S43 PolarHBondContact O-OG 3.02Å; A40-I44 WeakPolarHBondContact O-CG1 3.49Å; A40-I44 PolarHBondContact O-N 2.96Å; A40-I63 HydrophobicContact CB-CD1 4.1Å; A40-I63 HydrophobicContact CB-CG1 4.35Å
41I88.4Confident84.3Confident21 Ų2166.2 Ų66.211%0.10834%0.337CS..Hα-helixtrans-66.4-44.4-178.9-68.8170.4000109.8I37 D38 S43 I44 L45 I63 E208 L211I37-I41 HydrophobicContact CG2-CD1 3.79Å; I37-I41 HydrophobicContact CG2-CG1 4.39Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.12Å; D38-I41 PolarHBondContact O-N 3.35Å; D38-I41 VanDerWaalsContact O-N 3.14Å; I41-S43 PolarHBondContact O-N 3.29Å; I41-I44 WeakPolarHBondContact O-CA 3.48Å; I41-I44 PolarHBondContact O-N 2.72Å; I41-L45 HydrophobicContact CG2-CD1 3.84Å; I41-L45 HydrophobicContact CG2-CG 4.03Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 3.25Å; I41-I63 HydrophobicContact CG1-CD1 3.89Å; I41-E208 HydrophobicContact CD1-CG 4.39Å; I41-E208 WeakPolarHBondContact CD1-OE1 3.41Å; I41-E208 WeakPolarHBondContact CD1-OE2 3.4Å; I41-L211 HydrophobicContact CG2-CD1 4.48Å
42E87.5Confident84.3Confident127 Ų12765.3 Ų65.359%0.59334%0.34SS*.Hα-helixtrans-54-42.9174-71.5176.9179.500111.5D38 I44 L45 D46D38-E42 WeakPolarHBondContact O-CG 3.42Å; D38-E42 PolarHBondContact O-N 3.38Å; E42-I44 PolarHBondContact O-N 2.96Å; E42-L45 PolarHBondContact O-N 2.88Å; E42-D46 PolarHBondContact O-N 3.35Å; E42-D46 VanDerWaalsContact O-N 3.08Å
43S82.9Confident84.2Confident18 Ų1871.3 Ų71.313%0.12637%0.372CS..Hα-helixtrans-66.8-21.7177.2780000114.8S39 A40 I41S39-S43 PolarHBondContact O-N 2.96Å; A40-S43 PolarHBondContact O-N 3.48Å; A40-S43 PolarHBondContact O-OG 3.02Å; I41-S43 PolarHBondContact O-N 3.29Å
44I85.3Confident84.2Confident13 Ų1376.3 Ų76.37%0.06739%0.39CS..Hα-helixtrans-90.7-34.6178.2-65.4168.3000111.3L14 A40 I41 E42 M51 L59 I63L14-I44 HydrophobicContact CD1-CD1 4.47Å; L14-I44 HydrophobicContact CD1-CG1 4.21Å; A40-I44 WeakPolarHBondContact O-CG1 3.49Å; A40-I44 PolarHBondContact O-N 2.96Å; I41-I44 WeakPolarHBondContact O-CA 3.48Å; I41-I44 PolarHBondContact O-N 2.72Å; E42-I44 PolarHBondContact O-N 2.96Å; I44-M51 HydrophobicContact CG1-CE 4.43Å; I44-L59 HydrophobicContact CD1-CB 3.8Å; I44-L59 HydrophobicContact CG1-CB 4.46Å; I44-L59 HydrophobicContact CG1-CD1 4.46Å; I44-I63 HydrophobicContact CD1-CD1 3.38Å
45L85.3Confident84Confident44 Ų4472.2 Ų72.223%0.2337%0.373CS..Hα-helixtrans-69.2-47.8177.8-68.7173.5000111.8I41 E42 P47 L211 Y215I41-L45 HydrophobicContact CG2-CD1 3.84Å; I41-L45 HydrophobicContact CG2-CG 4.03Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 3.25Å; E42-L45 PolarHBondContact O-N 2.88Å; L45-P47 WeakPolarHBondContact O-CD 3.38Å; L45-L211 HydrophobicContact CD1-CD2 3.34Å; L45-L211 HydrophobicContact CD2-CD2 3.97Å; L45-L211 HydrophobicContact CG-CD2 4.25Å; L45-Y215 HydrophobicContact CD2-CD2 3.64Å; L45-Y215 HydrophobicContact CD2-CE2 4.39Å; L45-Y215 HydrophobicContact CD2-CG 4.32Å
46D81.5Confident84.1Confident139 Ų13972.3 Ų72.374%0.74337%0.373SS*.SBendtrans-114.669.6-178.5-68.5-33.7000110.4E42 K48E42-D46 PolarHBondContact O-N 3.35Å; E42-D46 VanDerWaalsContact O-N 3.08Å; D46-K48 PolarHBondContact O-N 3.38Å
47P77.6Confident84.1Confident39 Ų3969 Ų6925%0.25337%0.365SS..  trans-71.6127.7-178.732.8-36.6000109.5L45 V49 M51L45-P47 WeakPolarHBondContact O-CD 3.38Å; P47-V49 WeakPolarHBondContact CB-O 3.42Å; P47-V49 PolarHBondContact O-N 3.04Å; P47-M51 HydrophobicContact CB-CE 3.72Å; P47-M51 HydrophobicContact CB-CG 4.24Å
48K74.1Confident84.1Confident189 Ų18971.8 Ų71.882%0.82238%0.377SS*.SBendtrans-56.5-24.6173.3-174171.6-177.8175.20112.5D46D46-K48 PolarHBondContact O-N 3.38Å
49V71.7Confident84.1Confident75 Ų7567 Ų6746%0.45535%0.352SS..SBendtrans-135.1129179.1-178.50000108.3F3 P47 M51F3-V49 HydrophobicContact CD1-CG1 3.98Å; F3-V49 HydrophobicContact CE1-CG1 3.78Å; P47-V49 WeakPolarHBondContact CB-O 3.42Å; P47-V49 PolarHBondContact O-N 3.04Å; V49-M51 PolarHBondContact O-N 3.06Å
50N76Confident84.3Confident142 Ų14267.7 Ų67.776%0.75935%0.352SS*.  trans-50.1107.3179.4-68.3-14.3000111.5F3F3-N50 WeakPolarHBondContact CE1-O 3.39Å; F3-N50 WeakPolarHBondContact CZ-O 3.39Å
51M77.6Confident84.5Confident24 Ų2471.3 Ų71.312%0.11837%0.371CS..  trans-83.2149.5177.4-66.1-169-79.200111.3Y6 L14 I44 P47 V49 T56 L59Y6-M51 HydrophobicContact CD1-SD 4.21Å; L14-M51 HydrophobicContact CD2-SD 4.36Å; I44-M51 HydrophobicContact CG1-CE 4.43Å; P47-M51 HydrophobicContact CB-CE 3.72Å; P47-M51 HydrophobicContact CB-CG 4.24Å; V49-M51 PolarHBondContact O-N 3.06Å; M51-T56 HydrophobicContact CB-CG2 3.76Å; M51-T56 HydrophobicContact CE-CG2 4.15Å; M51-L59 HydrophobicContact CE-CD1 4.37Å; M51-L59 HydrophobicContact SD-CD1 3.96Å
52A85.2Confident84.6Confident43 Ų4370.3 Ų70.336%0.35537%0.366SS..  trans-68.1144.4173.500000111.2F3 R54 T55 T56F3-A52 HydrophobicContact CD2-CB 4.36Å; F3-A52 HydrophobicContact CE2-CB 3.94Å; A52-R54 PolarHBondContact O-N 2.91Å; A52-T55 PolarHBondContact N-OG1 3.43Å; A52-T55 PolarHBondContact O-N 3.25Å; A52-T55 PolarHBondContact O-OG1 2.87Å; A52-T56 PolarHBondContact O-N 3.5Å
53L86.9Confident84.8Confident127 Ų12764.5 Ų64.567%0.66534%0.338SS*.Hα-helixtrans-56.6-35.8177.7-17762.4000112.7T55 T56 G57L53-T55 PolarHBondContact O-N 3.12Å; L53-T56 WeakPolarHBondContact CA-OG1 3.42Å; L53-T56 PolarHBondContact O-N 2.94Å; L53-T56 PolarHBondContact O-OG1 2.82Å; L53-G57 PolarHBondContact O-N 2.88Å
54R89.4Confident85.3Confident207 Ų20767.8 Ų67.878%0.78136%0.358SS*.Hα-helixtrans-61.2-44.2175-172.5178-66.5177.9-1111.7A52 G57 H58A52-R54 PolarHBondContact O-N 2.91Å; R54-G57 PolarHBondContact O-N 3.45Å; R54-H58 PolarHBondContact O-CD2 3.45Å; R54-H58 PolarHBondContact O-N 3.21Å
55T85.7Confident85.5Confident32 Ų3271.1 Ų71.120%0.19637%0.37CS..Hα-helixtrans-69.1-40.217948.20000111.9A52 L53 G57 H58 L59A52-T55 PolarHBondContact N-OG1 3.43Å; A52-T55 PolarHBondContact O-N 3.25Å; A52-T55 PolarHBondContact O-OG1 2.87Å; L53-T55 PolarHBondContact O-N 3.12Å; T55-G57 VanDerWaalsContact C-N 3.32Å; T55-G57 PolarHBondContact O-N 3.49Å; T55-H58 PolarHBondContact O-N 3.45Å; T55-L59 VanDerWaalsContact O-CG 3.22Å; T55-L59 WeakPolarHBondContact O-CG 3.37Å; T55-L59 PolarHBondContact O-N 2.99Å
56T87.7Confident85.8Confident9 Ų969.1 Ų69.16%0.05536%0.359CS..Hα-helixtrans-65.5-36.3177.758.30000111.8M51 A52 L53 L59 L60M51-T56 HydrophobicContact CB-CG2 3.76Å; M51-T56 HydrophobicContact CE-CG2 4.15Å; A52-T56 PolarHBondContact O-N 3.5Å; L53-T56 WeakPolarHBondContact CA-OG1 3.42Å; L53-T56 PolarHBondContact O-N 2.94Å; L53-T56 PolarHBondContact O-OG1 2.82Å; T56-L59 PolarHBondContact O-N 3.4Å; T56-L60 PolarHBondContact O-N 2.98Å
57G90.1Very high86.3Confident40 Ų4067.1 Ų67.141%0.41235%0.345SS..Hα-helixtrans-59.4-46.9173.300000113.4L53 R54 T55 L59 L60 L61L53-G57 PolarHBondContact O-N 2.88Å; R54-G57 PolarHBondContact O-N 3.45Å; T55-G57 VanDerWaalsContact C-N 3.32Å; T55-G57 PolarHBondContact O-N 3.49Å; G57-L59 VanDerWaalsContact C-N 3.35Å; G57-L59 PolarHBondContact O-N 3.35Å; G57-L60 PolarHBondContact O-N 2.79Å; G57-L61 PolarHBondContact O-N 3.3Å
58H90.6Very high87Confident75 Ų7568 Ų6835%0.34735%0.352SS..Hα-helixtrans-64.6-38.4175.6-76.5-70.1000112.7A21 H22 R54 T55 L60 L61 G62A21-H58 VanDerWaalsContact CB-O 3.24Å; A21-H58 WeakPolarHBondContact CB-O 3.24Å; H22-H58 AromaticContact NE2-ND1 3.78Å; R54-H58 PolarHBondContact O-CD2 3.45Å; R54-H58 PolarHBondContact O-N 3.21Å; T55-H58 PolarHBondContact O-N 3.45Å; H58-L60 VanDerWaalsContact C-N 3.34Å; H58-L61 PolarHBondContact O-N 2.86Å; H58-G62 PolarHBondContact O-N 3.31Å
59L89.2Confident87.8Confident0 Ų060.2 Ų60.20%032%0.318CS..Hα-helixtrans-64-41.6178-69.4168.2000111.4V7 L14 I17 W18 I44 M51 T55 T56 G57 G62 I63V7-L59 HydrophobicContact CG1-CD2 4.47Å; L14-L59 HydrophobicContact CD1-CD1 3.84Å; L14-L59 HydrophobicContact CD1-CD2 3.55Å; L14-L59 HydrophobicContact CD1-CG 4.17Å; L14-L59 HydrophobicContact CD2-CD1 4.11Å; L14-L59 HydrophobicContact CD2-CD2 4.49Å; L14-L59 HydrophobicContact CG-CD1 4.23Å; L14-L59 HydrophobicContact CG-CD2 3.79Å; I17-L59 HydrophobicContact CG2-CD2 4.28Å; I17-L59 VanDerWaalsContact CG2-O 3.22Å; I17-L59 WeakPolarHBondContact CG2-O 2.86Å; W18-L59 HydrophobicContact CB-CD2 4.07Å; I44-L59 HydrophobicContact CD1-CB 3.8Å; I44-L59 HydrophobicContact CG1-CB 4.46Å; I44-L59 HydrophobicContact CG1-CD1 4.46Å; M51-L59 HydrophobicContact CE-CD1 4.37Å; M51-L59 HydrophobicContact SD-CD1 3.96Å; T55-L59 VanDerWaalsContact O-CG 3.22Å; T55-L59 WeakPolarHBondContact O-CG 3.37Å; T55-L59 PolarHBondContact O-N 2.99Å; T56-L59 PolarHBondContact O-N 3.4Å; G57-L59 VanDerWaalsContact C-N 3.35Å; G57-L59 PolarHBondContact O-N 3.35Å; L59-G62 PolarHBondContact O-N 2.83Å; L59-I63 WeakPolarHBondContact O-CG1 3.07Å; L59-I63 PolarHBondContact O-N 3.07Å
60L91.1Very high88.7Confident57 Ų5759 Ų5930%0.29831%0.306SS..Hα-helixtrans-64.5-43.4175.3-174.670.7000112T56 G57 H58 G62 I63 V64 F212T56-L60 PolarHBondContact O-N 2.98Å; G57-L60 PolarHBondContact O-N 2.79Å; H58-L60 VanDerWaalsContact C-N 3.34Å; L60-G62 VanDerWaalsContact C-N 3.26Å; L60-G62 PolarHBondContact O-N 2.94Å; L60-I63 WeakPolarHBondContact O-CB 3.44Å; L60-I63 PolarHBondContact O-N 3.04Å; L60-I63 VanDerWaalsContact O-N 3.12Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.36Å; L60-F212 HydrophobicContact CD1-CD2 4.32Å; L60-F212 HydrophobicContact CD2-CD2 3.36Å; L60-F212 HydrophobicContact CD2-CE2 3.06Å; L60-F212 HydrophobicContact CD2-CG 4.49Å; L60-F212 HydrophobicContact CD2-CZ 4Å; L60-F212 HydrophobicContact CG-CD2 4.47Å; L60-F212 HydrophobicContact CG-CE2 4.47Å
61L91.2Very high89.5Confident76 Ų7655.7 Ų55.740%0.39829%0.291SS..Hα-helixtrans-57.5-41.5174179.763.3000111.4G57 H58 I63 V64 R65G57-L61 PolarHBondContact O-N 3.3Å; H58-L61 PolarHBondContact O-N 2.86Å; L61-I63 PolarHBondContact O-N 3.19Å; L61-V64 PolarHBondContact O-N 3.16Å; L61-R65 HydrophobicContact CD1-CG 4.47Å; L61-R65 WeakPolarHBondContact O-CB 3.46Å; L61-R65 WeakPolarHBondContact O-CG 3.32Å; L61-R65 PolarHBondContact O-N 2.89Å
62G90.9Very high90.2Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-59.9-42.2174.700000113H58 L59 L60 R65 I66H58-G62 PolarHBondContact O-N 3.31Å; L59-G62 PolarHBondContact O-N 2.83Å; L60-G62 VanDerWaalsContact C-N 3.26Å; L60-G62 PolarHBondContact O-N 2.94Å; G62-R65 PolarHBondContact O-N 3.34Å; G62-I66 VanDerWaalsContact O-CG1 3.32Å; G62-I66 WeakPolarHBondContact O-CG1 3.38Å; G62-I66 PolarHBondContact O-N 3.49Å
63I91.4Very high90.6Very high5 Ų559.4 Ų59.43%0.02630%0.298CS..Hα-helixtrans-62.7-49.4177-70.2166.6000111I17 I37 A40 I41 I44 L59 L60 L61 R65 I66 H67I17-I63 HydrophobicContact CD1-CG1 4.23Å; I17-I63 HydrophobicContact CG1-CG1 4.47Å; I17-I63 HydrophobicContact CG2-CG1 3.82Å; I37-I63 HydrophobicContact CG2-CG2 3.71Å; A40-I63 HydrophobicContact CB-CD1 4.1Å; A40-I63 HydrophobicContact CB-CG1 4.35Å; I41-I63 HydrophobicContact CG1-CD1 3.89Å; I44-I63 HydrophobicContact CD1-CD1 3.38Å; L59-I63 WeakPolarHBondContact O-CG1 3.07Å; L59-I63 PolarHBondContact O-N 3.07Å; L60-I63 WeakPolarHBondContact O-CB 3.44Å; L60-I63 PolarHBondContact O-N 3.04Å; L60-I63 VanDerWaalsContact O-N 3.12Å; L61-I63 PolarHBondContact O-N 3.19Å; I63-R65 VanDerWaalsContact C-N 3.3Å; I63-R65 PolarHBondContact O-N 3.28Å; I63-I66 PolarHBondContact O-N 2.88Å; I63-H67 WeakPolarHBondContact O-CB 3.5Å; I63-H67 PolarHBondContact O-N 3.22Å
64V92Very high90.9Very high88 Ų8858.3 Ų58.353%0.53329%0.292SS..Hα-helixtrans-61.2-40.5-179.9177.70000110.9L60 L61 H67 S68L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.36Å; L61-V64 PolarHBondContact O-N 3.16Å; V64-H67 PolarHBondContact O-N 2.94Å; V64-S68 PolarHBondContact O-N 3.35Å
65R90.7Very high91Very high83 Ų8353.7 Ų53.731%0.31328%0.283SS..Hα-helixtrans-63.8-44.3175.3-74.6178.3173.7-170.5-3.2112.8A21 E24 L61 G62 I63 H67 S68 R69A21-R65 PolarHBondContact O-NH1 3.43Å; A21-R65 VanDerWaalsContact O-NH1 3.1Å; E24-R65 WeakPolarHBondContact OE2-CD 3.42Å; E24-R65 IonicContact OE2-CZ 3.51Å; E24-R65 IonicContact OE2-NE 3.49Å; E24-R65 PolarHBondContact OE2-NE 3.11Å; E24-R65 IonicContact OE2-NH1 3.51Å; L61-R65 HydrophobicContact CD1-CG 4.47Å; L61-R65 WeakPolarHBondContact O-CB 3.46Å; L61-R65 WeakPolarHBondContact O-CG 3.32Å; L61-R65 PolarHBondContact O-N 2.89Å; G62-R65 PolarHBondContact O-N 3.34Å; I63-R65 VanDerWaalsContact C-N 3.3Å; I63-R65 PolarHBondContact O-N 3.28Å; R65-H67 VanDerWaalsContact C-N 3.32Å; R65-H67 PolarHBondContact O-N 2.98Å; R65-S68 PolarHBondContact O-N 3.37Å; R65-R69 WeakPolarHBondContact O-CG 3.46Å; R65-R69 PolarHBondContact O-N 3.44Å; R65-R69 VanDerWaalsContact O-N 3.11Å
66I91.6Very high91.3Very high2 Ų253.3 Ų53.31%0.0128%0.283CS..Hα-helixtrans-60.5-44.8174.8-73.1169.5000110.3I17 A20 L27 V32 T35 G62 I63 R69 K70I17-I66 HydrophobicContact CB-CD1 4.45Å; I17-I66 HydrophobicContact CG1-CD1 3.98Å; A20-I66 HydrophobicContact CB-CD1 3.63Å; A20-I66 HydrophobicContact CB-CG1 3.61Å; L27-I66 HydrophobicContact CD2-CG1 4.27Å; V32-I66 HydrophobicContact CG1-CG2 4.34Å; T35-I66 HydrophobicContact CG2-CD1 4.33Å; T35-I66 WeakPolarHBondContact OG1-CG2 3.48Å; G62-I66 VanDerWaalsContact O-CG1 3.32Å; G62-I66 WeakPolarHBondContact O-CG1 3.38Å; G62-I66 PolarHBondContact O-N 3.49Å; I63-I66 PolarHBondContact O-N 2.88Å; I66-R69 PolarHBondContact O-N 2.88Å; I66-K70 WeakPolarHBondContact O-CG 3.33Å; I66-K70 PolarHBondContact O-N 2.95Å
67H92.7Very high91.6Very high96 Ų9655.7 Ų55.744%0.44430%0.295SS..Hα-helixtrans-62.1-45.9179.6-17564000111.8I37 I63 V64 R65 R69 K70 T71I37-H67 HydrophobicContact CD1-CB 4.02Å; I63-H67 WeakPolarHBondContact O-CB 3.5Å; I63-H67 PolarHBondContact O-N 3.22Å; V64-H67 PolarHBondContact O-N 2.94Å; R65-H67 VanDerWaalsContact C-N 3.32Å; R65-H67 PolarHBondContact O-N 2.98Å; H67-R69 VanDerWaalsContact C-N 3.31Å; H67-R69 PolarHBondContact O-N 3.37Å; H67-K70 WeakPolarHBondContact O-CB 3.49Å; H67-K70 PolarHBondContact O-N 3.27Å; H67-K70 VanDerWaalsContact O-N 3.14Å; H67-T71 PolarHBondContact O-N 2.65Å; H67-T71 PolarHBondContact O-OG1 3.21Å
68S91.3Very high91.8Very high58 Ų5857.1 Ų57.141%0.40630%0.298SS..Hα-helixtrans-56.4-44.1175.1-177.70000112.1V64 R65 T71 K72V64-S68 PolarHBondContact O-N 3.35Å; R65-S68 PolarHBondContact O-N 3.37Å; S68-T71 PolarHBondContact O-N 3.34Å; S68-K72 WeakPolarHBondContact O-CG 3.34Å; S68-K72 PolarHBondContact O-N 3.15Å
69R90Very high92Very high26 Ų2657.9 Ų57.910%0.09831%0.305CS..Hα-helixtrans-63.9-41.9176.2-71.3176.6175.3-138.2-6.8112.6E24 V32 R65 I66 H67 T71 K72 Y73E24-R69 VanDerWaalsContact CD-NH2 3.25Å; E24-R69 PolarHBondContact O-NH1 3.22Å; E24-R69 PolarHBondContact O-NH2 3.27Å; E24-R69 IonicContact OE1-CZ 2.72Å; E24-R69 VanDerWaalsContact OE1-CZ 3.24Å; E24-R69 IonicContact OE1-NE 2.96Å; E24-R69 PolarHBondContact OE1-NE 2.95Å; E24-R69 IonicContact OE1-NH2 2.71Å; E24-R69 PolarHBondContact OE1-NH2 3.1Å; V32-R69 HydrophobicContact CG1-CB 4.19Å; R65-R69 WeakPolarHBondContact O-CG 3.46Å; R65-R69 PolarHBondContact O-N 3.44Å; R65-R69 VanDerWaalsContact O-N 3.11Å; I66-R69 PolarHBondContact O-N 2.88Å; H67-R69 VanDerWaalsContact C-N 3.31Å; H67-R69 PolarHBondContact O-N 3.37Å; R69-T71 VanDerWaalsContact C-N 3.31Å; R69-T71 PolarHBondContact O-N 3.08Å; R69-K72 PolarHBondContact O-N 3.21Å; R69-Y73 HydrophobicContact CB-CE2 4.23Å; R69-Y73 VanDerWaalsContact O-CD2 3.3Å; R69-Y73 WeakPolarHBondContact O-CD2 3.24Å; R69-Y73 VanDerWaalsContact O-CG 3.25Å; R69-Y73 PolarHBondContact O-N 2.96Å
70K92.1Very high92Very high49 Ų4962.6 Ų62.621%0.21333%0.327CS..Hα-helixtrans-58.7-43.8175-74.9-170.4179.8-1690111.6V32 T35 I37 I66 H67 Y73 L74V32-K70 HydrophobicContact CG1-CG 3.6Å; V32-K70 WeakPolarHBondContact O-CE 3.45Å; T35-K70 PolarHBondContact O-NZ 3.18Å; I37-K70 HydrophobicContact CD1-CD 4.02Å; I66-K70 WeakPolarHBondContact O-CG 3.33Å; I66-K70 PolarHBondContact O-N 2.95Å; H67-K70 WeakPolarHBondContact O-CB 3.49Å; H67-K70 PolarHBondContact O-N 3.27Å; H67-K70 VanDerWaalsContact O-N 3.14Å; K70-Y73 PolarHBondContact O-N 3.3Å; K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.25Å
71T92.7Very high92.1Very high72 Ų7262 Ų6244%0.44233%0.33SS..Hα-helixtrans-66.4-39.1177.3-53.50000111.8H67 S68 R69 L74 L75H67-T71 PolarHBondContact O-N 2.65Å; H67-T71 PolarHBondContact O-OG1 3.21Å; S68-T71 PolarHBondContact O-N 3.34Å; R69-T71 VanDerWaalsContact C-N 3.31Å; R69-T71 PolarHBondContact O-N 3.08Å; T71-L74 PolarHBondContact O-N 3.21Å; T71-L75 PolarHBondContact O-N 2.9Å
72K92.3Very high92Very high115 Ų11563.7 Ų63.750%0.533%0.334SS..Hα-helixtrans-61.9-44.1173.5-72.7-179179.8-169.80112.1S68 R69 L75 A76S68-K72 WeakPolarHBondContact O-CG 3.34Å; S68-K72 PolarHBondContact O-N 3.15Å; R69-K72 PolarHBondContact O-N 3.21Å; K72-L75 PolarHBondContact O-N 3.38Å; K72-A76 PolarHBondContact O-N 3.37Å; K72-A76 VanDerWaalsContact O-N 3.09Å
73Y92.9Very high91.9Very high30 Ų3067.6 Ų67.612%0.11836%0.355CS..Hα-helixtrans-66.5-40.3176.6-61.8-31.5000111.9K29 V32 Y33 R69 K70 L75 A76 D77K29-Y73 HydrophobicContact CB-CE2 4.37Å; K29-Y73 HydrophobicContact CG-CD2 3.95Å; K29-Y73 HydrophobicContact CG-CE1 4.39Å; K29-Y73 HydrophobicContact CG-CE2 3.72Å; K29-Y73 HydrophobicContact CG-CG 4.39Å; V32-Y73 HydrophobicContact CB-CE2 4.04Å; V32-Y73 HydrophobicContact CG1-CD2 4.2Å; V32-Y73 HydrophobicContact CG1-CE2 3.93Å; V32-Y73 HydrophobicContact CG2-CE2 4.15Å; Y33-Y73 WeakPolarHBondContact OH-CB 3.41Å; R69-Y73 HydrophobicContact CB-CE2 4.23Å; R69-Y73 VanDerWaalsContact O-CD2 3.3Å; R69-Y73 WeakPolarHBondContact O-CD2 3.24Å; R69-Y73 VanDerWaalsContact O-CG 3.25Å; R69-Y73 PolarHBondContact O-N 2.96Å; K70-Y73 PolarHBondContact O-N 3.3Å; Y73-L75 PolarHBondContact O-N 3.38Å; Y73-A76 PolarHBondContact O-N 3.49Å; Y73-D77 WeakPolarHBondContact O-CB 3.15Å; Y73-D77 PolarHBondContact O-N 3.25Å
74L92.6Very high91.8Very high105 Ų10573.6 Ų73.655%0.5538%0.381SS..Hα-helixtrans-60.3-44.2175.1-179.464.1000111.9K70 T71 A76 D77 C78K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.25Å; T71-L74 PolarHBondContact O-N 3.21Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 2.71Å; L74-D77 PolarHBondContact O-N 3.26Å; L74-C78 WeakPolarHBondContact O-CB 3.29Å; L74-C78 PolarHBondContact O-N 3.13Å; L74-C78 PolarHBondContact O-SG 3.09Å
75L92.4Very high91.6Very high110 Ų11074 Ų7458%0.57638%0.379SS*.Hα-helixtrans-61.7-41.7176.518062.8000111.7T71 K72 Y73 C78 N79T71-L75 PolarHBondContact O-N 2.9Å; K72-L75 PolarHBondContact O-N 3.38Å; Y73-L75 PolarHBondContact O-N 3.38Å; L75-C78 PolarHBondContact O-N 3.26Å; L75-N79 WeakPolarHBondContact O-CB 2.95Å; L75-N79 PolarHBondContact O-N 3.28Å
76A92.9Very high91.4Very high24 Ų2475.6 Ų75.620%0.19839%0.388CS..Hα-helixtrans-64-46.3175.900000111.8K72 Y73 L74 C78 N79 E80 M160K72-A76 PolarHBondContact O-N 3.37Å; K72-A76 VanDerWaalsContact O-N 3.09Å; Y73-A76 PolarHBondContact O-N 3.49Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 2.71Å; A76-C78 VanDerWaalsContact C-N 3.3Å; A76-C78 PolarHBondContact O-N 2.99Å; A76-N79 PolarHBondContact O-N 2.82Å; A76-E80 PolarHBondContact O-N 3.48Å; A76-M160 HydrophobicContact CB-CE 3.59Å
77D92.4Very high90.8Very high59 Ų5980.4 Ų80.432%0.31641%0.412SS..Hα-helixtrans-62.4-38.7178.7-61.5-19.2000110.5K29 Y33 Y73 L74 A81K29-D77 IonicContact NZ-OD1 3.27Å; K29-D77 PolarHBondContact NZ-OD1 3.1Å; Y33-D77 PolarHBondContact OH-OD2 2.87Å; Y73-D77 WeakPolarHBondContact O-CB 3.15Å; Y73-D77 PolarHBondContact O-N 3.25Å; L74-D77 PolarHBondContact O-N 3.26Å; D77-A81 WeakPolarHBondContact O-CB 3.39Å; D77-A81 PolarHBondContact O-N 3.39Å
78C94.6Very high90.2Very high69 Ų6978 Ų7847%0.46641%0.409SS..Hα-helixtrans-66.6-41.7173.5-72.90000113L74 L75 A76 A81 F82L74-C78 WeakPolarHBondContact O-CB 3.29Å; L74-C78 PolarHBondContact O-N 3.13Å; L74-C78 PolarHBondContact O-SG 3.09Å; L75-C78 PolarHBondContact O-N 3.26Å; A76-C78 VanDerWaalsContact C-N 3.3Å; A76-C78 PolarHBondContact O-N 2.99Å; C78-A81 PolarHBondContact O-N 3.41Å; C78-F82 VanDerWaalsContact O-CB 3.3Å; C78-F82 WeakPolarHBondContact O-CB 3.37Å; C78-F82 PolarHBondContact O-N 3.28Å
79N94.3Very high89.4Confident92 Ų9283.2 Ų83.249%0.49242%0.424SS..Hα-helixtrans-63.9-41.7176.4-85.70.6000111.4L75 A76 F82 L83L75-N79 WeakPolarHBondContact O-CB 2.95Å; L75-N79 PolarHBondContact O-N 3.28Å; A76-N79 PolarHBondContact O-N 2.82Å; N79-F82 PolarHBondContact O-N 3.46Å; N79-L83 VanDerWaalsContact O-CG 3.31Å; N79-L83 WeakPolarHBondContact O-CG 3.3Å; N79-L83 PolarHBondContact O-N 2.99Å
80E90.8Very high88.3Confident99 Ų9987.6 Ų87.646%0.46344%0.441SS..Hα-helixtrans-63-45.8175.7-168.4-170.6147.700111.4A76 F82 L83 K84A76-E80 PolarHBondContact O-N 3.48Å; E80-F82 PolarHBondContact O-N 3Å; E80-L83 PolarHBondContact O-N 2.82Å; E80-K84 HydrophobicContact CG-CD 4.41Å; E80-K84 WeakPolarHBondContact O-CG 3.25Å; E80-K84 PolarHBondContact O-N 3.48Å; E80-K84 VanDerWaalsContact OE1-CE 3.31Å; E80-K84 WeakPolarHBondContact OE1-CE 3.34Å; E80-K84 IonicContact OE1-NZ 2.64Å; E80-K84 PolarHBondContact OE1-NZ 3.34Å
81A92.3Very high87.1Confident45 Ų4591.6 Ų91.637%0.37247%0.471SS..Hα-helixtrans-61.5-42.5176.100000112.1D77 C78 L83 K84 I85D77-A81 WeakPolarHBondContact O-CB 3.39Å; D77-A81 PolarHBondContact O-N 3.39Å; C78-A81 PolarHBondContact O-N 3.41Å; A81-L83 PolarHBondContact O-N 3.27Å; A81-K84 PolarHBondContact O-N 3.48Å; A81-I85 WeakPolarHBondContact O-CB 3.46Å; A81-I85 VanDerWaalsContact O-CG1 3.25Å; A81-I85 WeakPolarHBondContact O-CG1 3.43Å; A81-I85 PolarHBondContact O-N 3.22Å
82F89Confident85.6Confident110 Ų11094.2 Ų94.248%0.48248%0.483SS..Hα-helixtrans-63.4-40.1177.8-179.1-110.6000112.4C78 N79 E80 K86C78-F82 VanDerWaalsContact O-CB 3.3Å; C78-F82 WeakPolarHBondContact O-CB 3.37Å; C78-F82 PolarHBondContact O-N 3.28Å; N79-F82 PolarHBondContact O-N 3.46Å; E80-F82 PolarHBondContact O-N 3Å; F82-K86 HydrophobicContact CD1-CD 4.07Å; F82-K86 HydrophobicContact CE1-CD 3.6Å; F82-K86 HydrophobicContact CE1-CG 4.49Å; F82-K86 VanDerWaalsContact CE1-NZ 3.27Å; F82-K86 HydrophobicContact CE2-CD 4.41Å; F82-K86 HydrophobicContact CZ-CD 3.82Å; F82-K86 HydrophobicContact CZ-CG 4.46Å; F82-K86 VanDerWaalsContact CZ-NZ 3.28Å; F82-K86 WeakPolarHBondContact O-CB 3.48Å; F82-K86 WeakPolarHBondContact O-CG 3Å; F82-K86 PolarHBondContact O-N 3.35Å
83L88.9Confident83.9Confident83 Ų8393.3 Ų93.344%0.43548%0.483SS..Hα-helixtrans-65.9-44.6174.9-71.3173000111.6N79 E80 A81 I85 K86 M87N79-L83 VanDerWaalsContact O-CG 3.31Å; N79-L83 WeakPolarHBondContact O-CG 3.3Å; N79-L83 PolarHBondContact O-N 2.99Å; E80-L83 PolarHBondContact O-N 2.82Å; A81-L83 PolarHBondContact O-N 3.27Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 2.81Å; L83-K86 PolarHBondContact O-N 3.14Å; L83-M87 VanDerWaalsContact O-CG 3.3Å; L83-M87 WeakPolarHBondContact O-CG 3.27Å; L83-M87 PolarHBondContact O-N 2.77Å
84K88.5Confident82.1Confident131 Ų131104 Ų10457%0.5752%0.523SS*.Hα-helixtrans-58.5-45.4176.3-76.2173.2169.6171.50111.9E80 A81 M87 A88E80-K84 HydrophobicContact CG-CD 4.41Å; E80-K84 WeakPolarHBondContact O-CG 3.25Å; E80-K84 PolarHBondContact O-N 3.48Å; E80-K84 VanDerWaalsContact OE1-CE 3.31Å; E80-K84 WeakPolarHBondContact OE1-CE 3.34Å; E80-K84 IonicContact OE1-NZ 2.64Å; E80-K84 PolarHBondContact OE1-NZ 3.34Å; A81-K84 PolarHBondContact O-N 3.48Å; K84-M87 PolarHBondContact O-N 3.36Å; K84-A88 WeakPolarHBondContact O-CB 3.48Å; K84-A88 PolarHBondContact O-N 3.24Å
85I89.6Confident80.2Confident96 Ų96106.1 Ų106.149%0.49253%0.532SS..Hα-helixtrans-61.8-46.5175.8-69.8166.7000110.6A81 L83 M87 A88 F89A81-I85 WeakPolarHBondContact O-CB 3.46Å; A81-I85 VanDerWaalsContact O-CG1 3.25Å; A81-I85 WeakPolarHBondContact O-CG1 3.43Å; A81-I85 PolarHBondContact O-N 3.22Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 2.81Å; I85-M87 VanDerWaalsContact C-N 3.28Å; I85-M87 PolarHBondContact O-N 2.88Å; I85-A88 PolarHBondContact O-N 2.95Å; I85-F89 HydrophobicContact CG2-CD2 3.82Å; I85-F89 HydrophobicContact CG2-CE2 3.81Å; I85-F89 WeakPolarHBondContact O-CD2 3.19Å; I85-F89 PolarHBondContact O-N 3.05Å
86K84.7Confident78.4Confident117 Ų117106 Ų10651%0.50953%0.53SS..Hα-helixtrans-61.5-33.8177-83.2-174.4158.5-179.50113.4F82 L83F82-K86 HydrophobicContact CD1-CD 4.07Å; F82-K86 HydrophobicContact CE1-CD 3.6Å; F82-K86 HydrophobicContact CE1-CG 4.49Å; F82-K86 VanDerWaalsContact CE1-NZ 3.27Å; F82-K86 HydrophobicContact CE2-CD 4.41Å; F82-K86 HydrophobicContact CZ-CD 3.82Å; F82-K86 HydrophobicContact CZ-CG 4.46Å; F82-K86 VanDerWaalsContact CZ-NZ 3.28Å; F82-K86 WeakPolarHBondContact O-CB 3.48Å; F82-K86 WeakPolarHBondContact O-CG 3Å; F82-K86 PolarHBondContact O-N 3.35Å; L83-K86 PolarHBondContact O-N 3.14Å
87M80.6Confident76.4Confident103 Ų103112 Ų11251%0.50756%0.559SS.*Hα-helixtrans-74.8-38.6176.1-65.9-59.3178.800111.8L83 K84 I85 F89 R90L83-M87 VanDerWaalsContact O-CG 3.3Å; L83-M87 WeakPolarHBondContact O-CG 3.27Å; L83-M87 PolarHBondContact O-N 2.77Å; K84-M87 PolarHBondContact O-N 3.36Å; I85-M87 VanDerWaalsContact C-N 3.28Å; I85-M87 PolarHBondContact O-N 2.88Å; M87-F89 VanDerWaalsContact C-N 3.26Å; M87-F89 PolarHBondContact O-N 3.09Å; M87-R90 PolarHBondContact O-N 3.42Å
88A79Confident74.4Confident46 Ų46115.9 Ų115.938%0.3858%0.579SS.*Hα-helixtrans-63-28.9177.700000113.5K84 I85 I96K84-A88 WeakPolarHBondContact O-CB 3.48Å; K84-A88 PolarHBondContact O-N 3.24Å; I85-A88 PolarHBondContact O-N 2.95Å; A88-I96 HydrophobicContact CB-CD1 4.32Å; A88-I96 HydrophobicContact CB-CG1 4.44Å
89F73.9Confident72.2Confident166 Ų166121.7 Ų121.773%0.72860%0.599SS**THydrogen-bonded Turntrans-97.512.4178.7-67.7-67.4000114.4I85 M87 P91I85-F89 HydrophobicContact CG2-CD2 3.82Å; I85-F89 HydrophobicContact CG2-CE2 3.81Å; I85-F89 WeakPolarHBondContact O-CD2 3.19Å; I85-F89 PolarHBondContact O-N 3.05Å; M87-F89 VanDerWaalsContact C-N 3.26Å; M87-F89 PolarHBondContact O-N 3.09Å; F89-P91 WeakPolarHBondContact O-CD 3.21Å
90R68.2Low69.8Low119 Ų119126.4 Ų126.445%0.44962%0.618SS.*  trans-75115.9171.6-79.2-172.3178.2-166.5-0.7109.8M87 N92 I93M87-R90 PolarHBondContact O-N 3.42Å; R90-N92 PolarHBondContact O-N 2.96Å; R90-I93 PolarHBondContact O-N 3.37Å
91P65.8Low67.3Low132 Ų132130.4 Ų130.486%0.85764%0.637SS**THydrogen-bonded Turntrans-66.8-7-172.627.3-35.3000114.3F89F89-P91 WeakPolarHBondContact O-CD 3.21Å
92N61.1Low65.3Low128 Ų128134.1 Ų134.168%0.68466%0.655SS**THydrogen-bonded Turntrans-111.27.2-170.443.1-22.5000114.3R90R90-N92 PolarHBondContact O-N 2.96Å
93I58.2Low63.2Low96 Ų96134.4 Ų134.449%0.49267%0.668SS.*  trans-14097.1175.2-56.3170.1000108.7R90 M95R90-I93 PolarHBondContact O-N 3.37Å; I93-M95 HydrophobicContact CG2-CB 3.82Å; I93-M95 HydrophobicContact CG2-CG 3.95Å; I93-M95 PolarHBondContact O-N 3.44Å
94R53.5Low60.8Low254 Ų254139.8 Ų139.896%0.95869%0.691SS**  trans-70.765166.7-66.9-172.3179.4-163.50.7110
95M53.8Low58.8Low150 Ų150138.3 Ų138.374%0.73970%0.703SS**  trans-12761.2168.3-71.8-167.4153.300108.8I93I93-M95 HydrophobicContact CG2-CB 3.82Å; I93-M95 HydrophobicContact CG2-CG 3.95Å; I93-M95 PolarHBondContact O-N 3.44Å
96I54.4Low56.8Low107 Ų107141.7 Ų141.755%0.54972%0.717SS.*  trans-96.3100.1143.9-64.8160.4000101.6A88 L98A88-I96 HydrophobicContact CB-CD1 4.32Å; A88-I96 HydrophobicContact CB-CG1 4.44Å; I96-L98 HydrophobicContact CG2-CD1 3.55Å; I96-L98 PolarHBondContact O-N 3.32Å
97D50.3Low55.3Low151 Ų151141.7 Ų141.781%0.80773%0.729SS**  trans-62.276.1163-73.8-34.6000106.5E99D97-E99 PolarHBondContact O-N 3.01Å
98L50.6Low54.1Low140 Ų140143 Ų14373%0.73374%0.742SS**  trans-65.3119.5149-118.174.2000103.4I96 E100I96-L98 HydrophobicContact CG2-CD1 3.55Å; I96-L98 PolarHBondContact O-N 3.32Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 3.14Å
99E48.9Very low52.5Low190 Ų190143.9 Ų143.989%0.88876%0.756SS**  trans-47.6100.1171.4-66.7158.5-173.700108.3D97 E101D97-E99 PolarHBondContact O-N 3.01Å; E99-E101 PolarHBondContact O-N 2.87Å
100E44.5Very low51.7Low191 Ų191143.4 Ų143.489%0.89376%0.759SS**  trans-76.870179.5-164.9175.9-165.700107.9L98L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 3.14Å
101E37Very low50.6Low183 Ų183144 Ų14486%0.85578%0.777SS**  trans-11766.1160.1-88.5-162.8158.300108.9E99E99-E101 PolarHBondContact O-N 2.87Å
102V49.9Very low50Low124 Ų124144.8 Ų144.875%0.75277%0.772SS**  trans-133.7112.3154.3-174.80000107.4E104V102-E104 PolarHBondContact O-N 3.04Å
103P46.6Very low49.5Very low115 Ų115143.9 Ų143.975%0.74777%0.774SS**  trans-67.6133.3179.228.8-31.1000109.7
104E38.2Very low49Very low197 Ų197148.9 Ų148.992%0.92180%0.795SS**  trans19.4102.5157.4-72175.7137.700116.9V102V102-E104 PolarHBondContact O-N 3.04Å
105A46.5Very low48.7Very low100 Ų100141.9 Ų141.983%0.82678%0.78SS**  trans-102.7123.5159.200000109.8
106E47.1Very low48.1Very low166 Ų166143.7 Ų143.778%0.77679%0.785SS**  trans-59.3144.2-167.5-59.3-165.1160.600115.9V108E106-V108 PolarHBondContact O-N 3.14Å
107P52.8Low47.3Very low117 Ų117147.9 Ų147.976%0.7679%0.793SS**THydrogen-bonded Turntrans-8468.7-174.236.1-36.5000112.1
108V55.2Low46.8Very low130 Ų130150 Ų15079%0.78880%0.799SS**THydrogen-bonded Turntrans-134.81.5177.7-1730000114.9E106E106-V108 PolarHBondContact O-N 3.14Å
109G45.4Very low46.4Very low65 Ų65147.8 Ų147.867%0.6780%0.795SS**SBendtrans-130.3-3-174.200000118.8T111G109-T111 PolarHBondContact O-N 3.13Å; G109-T111 VanDerWaalsContact O-N 3.14Å
110I58Low46.5Very low157 Ų157142.4 Ų142.481%0.80578%0.778SS**  trans-82.711.3-164.1-18.8175.2000114.1L112I110-L112 PolarHBondContact O-N 3.42Å
111T43.8Very low46.8Very low132 Ų132136.8 Ų136.881%0.8176%0.764SS**  trans-97.188.8178.751.80000110.8G109G109-T111 PolarHBondContact O-N 3.13Å; G109-T111 VanDerWaalsContact O-N 3.14Å
112L54.6Low47.6Very low147 Ų147134.6 Ų134.677%0.7776%0.757SS**  trans-86.1131.1159.8-130.785.9000108.3I110 E114I110-L112 PolarHBondContact O-N 3.42Å; L112-E114 PolarHBondContact O-N 2.99Å
113P49.3Very low47.8Very low110 Ų110135.1 Ų135.171%0.71475%0.752SS**  trans-64.7136.6-176.924.5-31.8000111.9V115P113-V115 PolarHBondContact O-N 3.21Å
114E48Very low48.3Very low201 Ų201133.5 Ų133.594%0.93974%0.743SS**SBendtrans-65.586.5-174.8-158.1147.5-160.800111.4L112L112-E114 PolarHBondContact O-N 2.99Å
115V47.4Very low49Very low107 Ų107130.1 Ų130.165%0.64873%0.731SS**  trans-142.762.4172.4-163.60000110.2P113P113-V115 PolarHBondContact O-N 3.21Å
116F42.5Very low49.5Very low188 Ų188130.5 Ų130.583%0.82572%0.716SS**  trans-115.7120.9161.5-77.7-79.1000109.4E118F116-E118 PolarHBondContact O-N 3.37Å
117R36.7Very low49.8Very low194 Ų194128.4 Ų128.473%0.73271%0.709SS**  trans-57.8109.1-171.8-67.6171.1-173.678.81.9110.5S119R117-S119 PolarHBondContact O-N 3.37Å
118E40.4Very low50Low197 Ų197126 Ų12692%0.92170%0.699SS**THydrogen-bonded Turntrans-66.981.2164-148.2127.7-135.200108.1F116F116-E118 PolarHBondContact O-N 3.37Å
119S42.2Very low50Low93 Ų93129 Ų12965%0.6570%0.696SS**THydrogen-bonded Turntrans-167.4-21.8170.331.60000115.4R117R117-S119 PolarHBondContact O-N 3.37Å
120S50.2Low50.2Low77 Ų77132.8 Ų132.854%0.53870%0.696SS.*SBendtrans-112-12.8-172.255.80000115.7S124S120-S124 PolarHBondContact O-OG 2.71Å
121A51.1Low49.6Very low73 Ų73128 Ų12860%0.60369%0.687SS**Hα-helixtrans-84-29.3-177.900000113.6
122L53.7Low49.9Very low136 Ų136129.5 Ų129.571%0.71269%0.688SS**Hα-helixtrans-74.2-36.1177.7-73.6-178.8000112.5S124 L125 E126L122-S124 VanDerWaalsContact C-N 3.27Å; L122-S124 PolarHBondContact O-N 3.39Å; L122-L125 PolarHBondContact O-N 2.68Å; L122-E126 PolarHBondContact O-N 2.9Å
123E54Low49.2Very low135 Ų135127.7 Ų127.763%0.63169%0.688SS**Hα-helixtrans-66.1-32.1177.4-164.2172.1-171.800112.1L125 L127E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.48Å; E123-L127 WeakPolarHBondContact O-CG 3.38Å; E123-L127 PolarHBondContact O-N 2.96Å; E123-L127 VanDerWaalsContact O-N 3.15Å
124S56.8Low48.7Very low82 Ų82127.8 Ų127.857%0.57369%0.692SS**Hα-helixtrans-71.5-27.5177.6-56.30000113S120 L122S120-S124 PolarHBondContact O-OG 2.71Å; L122-S124 VanDerWaalsContact C-N 3.27Å; L122-S124 PolarHBondContact O-N 3.39Å
125L54.2Low48.4Very low126 Ų126121.2 Ų121.266%0.6668%0.678SS**Hα-helixtrans-86.8-33.2178.7-115.3156.5000111.9L122 E123 A128 R129L122-L125 PolarHBondContact O-N 2.68Å; E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.48Å; L125-A128 PolarHBondContact O-N 3.26Å; L125-R129 PolarHBondContact O-N 3.26Å
126E56.3Low48.2Very low108 Ų108125.9 Ų125.951%0.50569%0.69SS.*Hα-helixtrans-65.3-41.6172.8-145.589-140.600110.9L122 A128 R129 E130L122-E126 PolarHBondContact O-N 2.9Å; E126-A128 VanDerWaalsContact C-N 3.31Å; E126-A128 PolarHBondContact O-N 3.12Å; E126-R129 WeakPolarHBondContact O-CB 3.49Å; E126-R129 PolarHBondContact O-N 3.19Å; E126-E130 VanDerWaalsContact O-CG 3.26Å; E126-E130 WeakPolarHBondContact O-CG 3.42Å; E126-E130 PolarHBondContact O-N 3.01Å
127L52.9Low48.1Very low121 Ų121123.5 Ų123.563%0.63469%0.686SS**Hα-helixtrans-64.9-31.1176.8-76.4169.5000113.5E123 R129 G131E123-L127 WeakPolarHBondContact O-CG 3.38Å; E123-L127 PolarHBondContact O-N 2.96Å; E123-L127 VanDerWaalsContact O-N 3.15Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-G131 PolarHBondContact O-N 3.31Å
128A57.1Low48.8Very low67 Ų67122.8 Ų122.855%0.55469%0.688SS**Hα-helixtrans-74.4-23.9173.700000112.6L125 E126L125-A128 PolarHBondContact O-N 3.26Å; E126-A128 VanDerWaalsContact C-N 3.31Å; E126-A128 PolarHBondContact O-N 3.12Å
129R55.5Low49.2Very low194 Ų194117.2 Ų117.273%0.73268%0.676SS**Hα-helixtrans-81.3-33.2176.5-155.5174.593.4127.32.4112.1L125 E126 L127L125-R129 PolarHBondContact O-N 3.26Å; E126-R129 WeakPolarHBondContact O-CB 3.49Å; E126-R129 PolarHBondContact O-N 3.19Å; L127-R129 VanDerWaalsContact C-N 3.31Å
130E48.7Very low49.3Very low143 Ų143118.6 Ų118.667%0.66868%0.68SS**Hα-helixtrans-76.4-26.7177.1-63.6-103.2135.100112.5E126 L132E126-E130 VanDerWaalsContact O-CG 3.26Å; E126-E130 WeakPolarHBondContact O-CG 3.42Å; E126-E130 PolarHBondContact O-N 3.01Å; E130-L132 VanDerWaalsContact C-N 3.35Å; E130-L132 PolarHBondContact O-N 3.2Å
131G46.9Very low49Very low58 Ų58119.5 Ų119.560%0.59868%0.683SS**THydrogen-bonded Turntrans-77.7-7.2-177.500000116.5L127L127-G131 PolarHBondContact O-N 3.31Å
132L48.8Very low48.7Very low162 Ų162121.6 Ų121.685%0.84869%0.693SS**THydrogen-bonded Turntrans-102.620.9179-121.779.8000113E130E130-L132 VanDerWaalsContact C-N 3.35Å; E130-L132 PolarHBondContact O-N 3.2Å
133S39.9Very low48.3Very low109 Ų109118 Ų11876%0.76269%0.688SS**  trans-90.617-176.2-1700000114.8
134S40.2Very low47.9Very low113 Ų113119 Ų11979%0.7970%0.697SS**SBendtrans-114.989174.358.60000112.7
135G40.6Very low47.2Very low63 Ų63124 Ų12465%0.64971%0.714SS**SBendtrans93.42813600000119.4
136F44.6Very low47.1Very low205 Ų205125.4 Ų125.490%0.89972%0.721SS**  trans-119.181.7165.3-119-89.9000111.6F138F136-F138 PolarHBondContact O-N 3.46Å
137D39.5Very low46.7Very low138 Ų138129.3 Ų129.374%0.73874%0.737SS**  trans-77.382.3177.8-59.5-32.6000110.7
138F52.2Low46.2Very low178 Ų178130 Ų13078%0.78174%0.741SS**  trans-77.5-10.4165.4-177-107.6000112.2F136 T140F136-F138 PolarHBondContact O-N 3.46Å; F138-T140 PolarHBondContact O-N 3.23Å
139A47.1Very low46Very low81 Ų81131.9 Ų131.967%0.66975%0.75SS**THydrogen-bonded Turntrans-821.8-167.100000116T141A139-T141 VanDerWaalsContact C-N 3.32Å; A139-T141 PolarHBondContact O-N 3.45Å
140T44.4Very low45.4Very low121 Ų121129.4 Ų129.474%0.74275%0.751SS**THydrogen-bonded Turntrans-84.94-178.7-48.30000114.1F138 S142F138-T140 PolarHBondContact O-N 3.23Å; T140-S142 PolarHBondContact O-N 2.95Å
141T45.7Very low45.2Very low96 Ų96130.9 Ų130.959%0.58976%0.764SS**  trans-8348.2167.262.70000111.9A139 G143A139-T141 VanDerWaalsContact C-N 3.32Å; A139-T141 PolarHBondContact O-N 3.45Å; T141-G143 PolarHBondContact O-N 3.46Å
142S43.7Very low44.8Very low118 Ų118131.3 Ų131.383%0.82577%0.768SS**THydrogen-bonded Turntrans-72.441.6162.3-61.40000111.3T140T140-S142 PolarHBondContact O-N 2.95Å
143G44.8Very low44.5Very low59 Ų59131 Ų13161%0.60877%0.766SS**THydrogen-bonded Turntrans-143.1-0-171.600000115.4T141T141-G143 PolarHBondContact O-N 3.46Å
144L46.2Very low44.7Very low157 Ų157132.3 Ų132.382%0.82277%0.765SS**  trans-114.466.4171-62.5178.5000109.8L146L144-L146 PolarHBondContact O-N 3.3Å; L144-L146 VanDerWaalsContact O-N 3.16Å
145M42.9Very low44.9Very low188 Ų188133.1 Ų133.193%0.92676%0.759SS**  trans-73.295.3162.8-63.8-173.184.800108
146L50.7Low45.1Very low154 Ų154132.7 Ų132.781%0.80676%0.755SS**  trans-110.3107.5152.2-160.277.5000107.8L144 D148L144-L146 PolarHBondContact O-N 3.3Å; L144-L146 VanDerWaalsContact O-N 3.16Å; L146-D148 PolarHBondContact O-N 2.89Å
147K47.4Very low44.8Very low191 Ų191126.2 Ų126.283%0.8375%0.746SS**  trans-73.3110170165.2174.6167.1176.20106.7
148D44.3Very low45.3Very low136 Ų136125.8 Ų125.873%0.72774%0.742SS**  trans-150116.1153.1-80.2-40.9000108L146L146-D148 PolarHBondContact O-N 2.89Å
149S51.8Low45.1Very low106 Ų106122.3 Ų122.374%0.74173%0.732SS**  trans-45132.5150.2-47.70000106.8
150D43.9Very low45.5Very low141 Ų141123.7 Ų123.775%0.75473%0.726SS**SBend-166.2147.955-31.1-53.6000105.7G152D150-G152 PolarHBondContact O-N 3.34Å
151N42.8Very low45.8Very low175 Ų175125.2 Ų125.294%0.93673%0.729SS**SBendtrans2884.8160.5-76.113.6000118.6
152G39.3Very low45.9Very low66 Ų66122.7 Ų122.768%0.6872%0.718SS**  trans162.6105.8158.500000112D150 N154D150-G152 PolarHBondContact O-N 3.34Å; G152-N154 VanDerWaalsContact C-N 3.25Å; G152-N154 PolarHBondContact O-N 2.94Å
153L43.2Very low46Very low155 Ų155121.8 Ų121.881%0.81271%0.71SS**  trans-64.189.3167.7-101.6109.4000108.8I155L153-I155 VanDerWaalsContact C-N 3.25Å; L153-I155 HydrophobicContact CD2-CD1 3.74Å; L153-I155 HydrophobicContact CD2-CG1 3.95Å; L153-I155 PolarHBondContact O-N 2.89Å; L153-I155 VanDerWaalsContact O-N 3.14Å
154N42.9Very low46.1Very low137 Ų137123.9 Ų123.973%0.73371%0.706SS**  trans-8375.8166.8-164.6-11.2000108.1G152 G156G152-N154 VanDerWaalsContact C-N 3.25Å; G152-N154 PolarHBondContact O-N 2.94Å; N154-G156 VanDerWaalsContact C-N 3.26Å; N154-G156 PolarHBondContact O-N 3.27Å
155I45.1Very low46Very low130 Ų130123.6 Ų123.667%0.66770%0.704SS**  trans-74.891.6164.6-63.4177.3000106.1L153L153-I155 VanDerWaalsContact C-N 3.25Å; L153-I155 HydrophobicContact CD2-CD1 3.74Å; L153-I155 HydrophobicContact CD2-CG1 3.95Å; L153-I155 PolarHBondContact O-N 2.89Å; L153-I155 VanDerWaalsContact O-N 3.14Å
156G44.4Very low46.2Very low55 Ų55120 Ų12057%0.56769%0.689SS**  trans49.689.2162.200000114.7N154 I158N154-G156 VanDerWaalsContact C-N 3.26Å; N154-G156 PolarHBondContact O-N 3.27Å; G156-I158 PolarHBondContact O-N 2.86Å
157G39Very low46Very low69 Ų69119.2 Ų119.271%0.71169%0.686SS**  trans-5789159.300000110.8D159G157-D159 PolarHBondContact O-N 2.64Å
158I49.7Very low45.8Very low128 Ų128113 Ų11366%0.65668%0.675SS**  trans-78.694.7161.5-47.8173.3000104.7G156 M160G156-I158 PolarHBondContact O-N 2.86Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 HydrophobicContact CG2-CE 4.13Å; I158-M160 HydrophobicContact CG2-CG 4.3Å; I158-M160 HydrophobicContact CG2-SD 3.88Å; I158-M160 PolarHBondContact O-N 3.42Å
159D48.1Very low45.6Very low106 Ų106116.4 Ų116.457%0.56768%0.684SS**  trans-65.195.4167.2-176.2-6.4000108.2G157 N161 A162G157-D159 PolarHBondContact O-N 2.64Å; D159-N161 PolarHBondContact O-N 2.94Å; D159-N161 WeakPolarHBondContact OD1-CA 3.44Å; D159-N161 WeakPolarHBondContact OD1-CB 3.15Å; D159-N161 PolarHBondContact OD1-N 3.39Å; D159-A162 HydrophobicContact CB-CB 4.02Å; D159-A162 WeakPolarHBondContact O-CB 3.31Å; D159-A162 PolarHBondContact O-N 3.02Å; D159-A162 VanDerWaalsContact O-N 3.15Å; D159-A162 PolarHBondContact OD1-N 2.99Å
160M55.9Low44.9Very low110 Ų110114 Ų11454%0.54268%0.676SS.*THydrogen-bonded Turntrans-70.1-6.2-179.7-68.7-74.4-161.600113.1A76 I158A76-M160 HydrophobicContact CB-CE 3.59Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 HydrophobicContact CG2-CE 4.13Å; I158-M160 HydrophobicContact CG2-CG 4.3Å; I158-M160 HydrophobicContact CG2-SD 3.88Å; I158-M160 PolarHBondContact O-N 3.42Å
161N49.9Very low44.4Very low153 Ų153110.1 Ų110.182%0.81867%0.67SS**THydrogen-bonded Turntrans-102.1-8.7173.5-68.8-31.3000112.6D159D159-N161 PolarHBondContact O-N 2.94Å; D159-N161 WeakPolarHBondContact OD1-CA 3.44Å; D159-N161 WeakPolarHBondContact OD1-CB 3.15Å; D159-N161 PolarHBondContact OD1-N 3.39Å
162A48Very low44Very low43 Ų43110 Ų11036%0.35566%0.664SS.*SBendtrans-66.3129169.400000108.8D159 I164D159-A162 HydrophobicContact CB-CB 4.02Å; D159-A162 WeakPolarHBondContact O-CB 3.31Å; D159-A162 PolarHBondContact O-N 3.02Å; D159-A162 VanDerWaalsContact O-N 3.15Å; D159-A162 PolarHBondContact OD1-N 2.99Å; A162-I164 PolarHBondContact O-N 3.2Å
163P45Very low44Very low99 Ų99114 Ų11464%0.64367%0.668SS**  trans-58.5109.1168.923.8-30.4000106.9L165P163-L165 PolarHBondContact O-N 2.87Å
164I47.7Very low44Very low102 Ų102111.1 Ų111.152%0.52366%0.662SS.*  trans-45.4108.3-176.1-60.6168.8000107.7A162A162-I164 PolarHBondContact O-N 3.2Å
165L44.7Very low43.9Very low151 Ų151112.1 Ų112.179%0.79167%0.667SS**  trans-62.9141170.1-84.8166.2000107P163 D167P163-L165 PolarHBondContact O-N 2.87Å; L165-D167 PolarHBondContact O-N 3.41Å
166D47.1Very low43.8Very low112 Ų112110.8 Ų110.860%0.59966%0.664SS**  trans-55.797.7-175.1-156.369000109.3G168D166-G168 PolarHBondContact O-N 3.4Å; D166-G168 WeakPolarHBondContact OD2-CA 3.31Å
167D46.9Very low43.2Very low139 Ų139111.1 Ų111.174%0.74367%0.668SS**  trans-64.394.6153.5-68.4-30.4000104.5L165 F169L165-D167 PolarHBondContact O-N 3.41Å; D167-F169 PolarHBondContact O-N 3.33Å
168G42.3Very low43.1Very low60 Ų60117.5 Ų117.562%0.61968%0.676SS**SBendtrans-56.786.8-16000000115.4D166D166-G168 PolarHBondContact O-N 3.4Å; D166-G168 WeakPolarHBondContact OD2-CA 3.31Å
169F40.3Very low42.8Very low207 Ų207118.7 Ų118.791%0.90868%0.684SS**SBendtrans-89.923.2157.1-160-99.7000111.4D167D167-F169 PolarHBondContact O-N 3.33Å
170G37.8Very low42.7Very low56 Ų56118.9 Ų118.958%0.57769%0.694SS**  trans-125.713.6-17700000114.6Q172G170-Q172 PolarHBondContact O-N 2.98Å
171G33.1Very low41.7Very low60 Ų60116.7 Ų116.762%0.61970%0.699SS**SBendtrans-54.3124.7169.200000109.6L173G171-L173 PolarHBondContact O-N 3.48Å
172Q34.6Very low41.2Very low173 Ų173117.1 Ų117.181%0.80870%0.701SS**  trans-35.197.4-173.5-75.1174.811.400112.9G170 S174G170-Q172 PolarHBondContact O-N 2.98Å; Q172-S174 PolarHBondContact O-N 3.34Å
173L39.5Very low40.9Very low148 Ų148123.7 Ų123.778%0.77572%0.724SS**THydrogen-bonded Turntrans-84.155171.3-130.4122.5000108.4G171 V176G171-L173 PolarHBondContact O-N 3.48Å; L173-V176 HydrophobicContact CD1-CG2 4.25Å; L173-V176 HydrophobicContact CD2-CG2 3.61Å; L173-V176 HydrophobicContact CG-CG2 3.47Å; L173-V176 VanDerWaalsContact CG-CG2 3.47Å
174S42.9Very low40.5Very low96 Ų96128.3 Ų128.367%0.67173%0.734SS**THydrogen-bonded Turntrans-108.42.4172.751.60000112.8Q172Q172-S174 PolarHBondContact O-N 3.34Å
175D40.8Very low39.9Very low157 Ų157133.1 Ų133.184%0.8475%0.752SS**SBendtrans-142.113.4-177.1-139.18.3000115.6
176V42.2Very low39.3Very low102 Ų102128.8 Ų128.862%0.61874%0.743SS**SBendtrans-106.5103.7165.9-75.60000109L173 F178L173-V176 HydrophobicContact CD1-CG2 4.25Å; L173-V176 HydrophobicContact CD2-CG2 3.61Å; L173-V176 HydrophobicContact CG-CG2 3.47Å; L173-V176 VanDerWaalsContact CG-CG2 3.47Å; V176-F178 PolarHBondContact O-N 3.47Å
177G31.9Very low38.9Very low62 Ų62128 Ų12864%0.63975%0.753SS**  trans-49125.7177.900000112D179G177-D179 PolarHBondContact O-N 3.01Å
178F37.1Very low38.5Very low203 Ų203129.8 Ų129.889%0.8976%0.756SS**THydrogen-bonded Turntrans-62.4-3.6176.9179.2-104.1000113.9V176V176-F178 PolarHBondContact O-N 3.47Å
179D43.5Very low38.6Very low154 Ų154132.3 Ų132.382%0.82476%0.762SS**THydrogen-bonded Turntrans-88.9-7.8-175.5-84.3-37.1000115.7G177G177-D179 PolarHBondContact O-N 3.01Å
180S45.4Very low38.3Very low109 Ų109131.7 Ų131.776%0.76276%0.759SS**SBendtrans-99.7-2.4-173-580000115.9
181G35.6Very low38.4Very low64 Ų64137.1 Ų137.166%0.6677%0.769SS**SBendtrans-90.9-15.2-174.700000116.3H183G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 3.44Å
182L39.1Very low39Very low163 Ų163141.1 Ų141.185%0.85378%0.782SS**THydrogen-bonded Turntrans-82.1-1.4-174.1-137.296.2000114.1
183H42.3Very low39.3Very low180 Ų180137.9 Ų137.983%0.83378%0.778SS**THydrogen-bonded Turntrans-103.2-4.5-177.7-122.4-91000114.2G181G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 3.44Å
184F35.4Very low40Very low197 Ų197135.1 Ų135.186%0.86478%0.777SS**SBendtrans-85.4-16.1172.1-166.6-98.9000112.7G186F184-G186 PolarHBondContact O-N 2.95Å
185F36.2Very low41Very low203 Ų203136.3 Ų136.389%0.8978%0.782SS**SBendtrans-80.354.1165.5-124.6-91.1000109.5
186G30.9Very low41.6Very low59 Ų59134.8 Ų134.861%0.60878%0.781SS**  trans-66.8127.7171.800000109.3F184 E188F184-G186 PolarHBondContact O-N 2.95Å; G186-E188 PolarHBondContact O-N 3.24Å
187A38.1Very low41.6Very low97 Ų97134.9 Ų134.980%0.80279%0.793SS**  trans-67109.2-177.500000111.2
188E39.9Very low42Very low175 Ų175136.8 Ų136.882%0.81880%0.803SS**  trans-123.3119.4157.6-77.1-73.1144.300107G186 F190G186-E188 PolarHBondContact O-N 3.24Å; E188-F190 PolarHBondContact O-N 3.31Å; E188-F190 VanDerWaalsContact O-N 3.1Å
189P43.4Very low42.3Very low113 Ų113130.5 Ų130.573%0.73479%0.788SS**  trans-72.4104178.929-30.9000108.9E191P189-E191 PolarHBondContact O-N 3.33Å
190F35.7Very low42.4Very low194 Ų194134 Ų13485%0.85180%0.796SS**  trans-68.3104.2168-171.2-98.7000108.4E188 T192E188-F190 PolarHBondContact O-N 3.31Å; E188-F190 VanDerWaalsContact O-N 3.1Å; F190-T192 PolarHBondContact O-N 3.27Å
191E39.7Very low42.1Very low170 Ų170131.3 Ų131.379%0.79479%0.785SS**  trans-52.5120.1176.2-71.2-174.2133.900110.3P189 S193P189-E191 PolarHBondContact O-N 3.33Å; E191-S193 PolarHBondContact O-N 2.9Å
192T43.9Very low42.3Very low144 Ų144140.4 Ų140.488%0.88380%0.8SS**  trans-66.290.5169.332.20000109.9F190F190-T192 PolarHBondContact O-N 3.27Å
193S41.1Very low42.4Very low105 Ų105142.7 Ų142.773%0.73480%0.797SS**PPolyproline II helixtrans-84.9119.8158.672.30000109.2E191E191-S193 PolarHBondContact O-N 2.9Å
194A53.9Low42.8Very low91 Ų91143.3 Ų143.375%0.75280%0.797SS**PPolyproline II helixtrans-57137.1-173.900000114.1
195P65.3Low43.3Very low120 Ų120139.4 Ų139.478%0.77979%0.793SS**PPolyproline II helixtrans-83.3136168.330.4-30.3000111.2
196P53.6Low44Very low126 Ų126140 Ų14082%0.81879%0.791SS**PPolyproline II helixtrans-67.6144.4-179.627-33.1000112.3
197A42.7Very low45.2Very low104 Ų104141.5 Ų141.586%0.8679%0.785SS**SBendtrans-64.9127.3178.600000111.8
198A40Very low46.2Very low102 Ų102140.3 Ų140.384%0.84376%0.763SS**  trans138.794.8152.800000112.1
199A43.7Very low47Very low71 Ų71140.7 Ų140.759%0.58776%0.762SS**  trans-171.696.9147.900000108.8G201A199-G201 PolarHBondContact O-N 3.23Å; A199-G201 VanDerWaalsContact O-N 3.17Å
200K45.3Very low48Very low227 Ų227138.5 Ų138.599%0.98775%0.747SS**  trans-81.284.1177.3-151.7172.3-169.51760107.2
201G39.2Very low49.3Very low52 Ų52131.5 Ų131.554%0.53672%0.718SS.*SBendtrans-169.8109-176.600000112.7A199 R203A199-G201 PolarHBondContact O-N 3.23Å; A199-G201 VanDerWaalsContact O-N 3.17Å; G201-R203 PolarHBondContact O-N 2.94Å
202R39.3Very low50.6Low256 Ų256128.5 Ų128.597%0.96670%0.702SS**  trans28.684.7161.6-71.8-172.5-85.1-156.2-4.3116.5
203R41.4Very low51.8Low211 Ų211125.3 Ų125.380%0.79669%0.686SS**  trans-115.199.1160.6-58.2-173.6-145.81654.5108.9G201G201-R203 PolarHBondContact O-N 2.94Å
204K49.4Very low53.4Low192 Ų192126 Ų12684%0.83568%0.676SS**  trans-132.731.7170-82.6-159.7176.6-166.60112.4
205C46.7Very low54Low115 Ų115123.7 Ų123.778%0.77765%0.648SS**SBendtrans-121.29.4-178.7-69.10000115.5
206Y51.1Low54.4Low217 Ų217120 Ų12085%0.85163%0.627SS**SBendtrans-133.316-177.9-75.7-78.2000115.1
207D56.2Low55.4Low89 Ų89123 Ų12348%0.47662%0.622SS.*  trans-94.4-15.8-175.7-142.3-24.7000114.2F209 V210 L211D207-F209 PolarHBondContact O-N 3.2Å; D207-V210 PolarHBondContact O-N 3.21Å; D207-L211 HydrophobicContact CB-CD1 4.48Å; D207-L211 VanDerWaalsContact O-CB 3.29Å; D207-L211 WeakPolarHBondContact O-CB 3.44Å; D207-L211 PolarHBondContact O-N 3.44Å
208E59.9Low56.7Low73 Ų73122.9 Ų122.934%0.34161%0.605SS.*Hα-helixtrans-65.9-44.5-171.9-69.4-113.3160.100113.7I37 I41 V210 L211 F212I37-E208 VanDerWaalsContact CG2-OE1 3.25Å; I37-E208 WeakPolarHBondContact CG2-OE1 3.3Å; I41-E208 HydrophobicContact CD1-CG 4.39Å; I41-E208 WeakPolarHBondContact CD1-OE1 3.41Å; I41-E208 WeakPolarHBondContact CD1-OE2 3.4Å; E208-V210 VanDerWaalsContact C-N 3.35Å; E208-L211 WeakPolarHBondContact O-CB 3.3Å; E208-L211 PolarHBondContact O-N 2.96Å; E208-F212 PolarHBondContact O-N 3.25Å
209F56.6Low58Low182 Ų182121.6 Ų121.680%0.79858%0.582SS**Hα-helixtrans-67.8-36.6175.9-90.6-86.6000112D207 L211 F212 S213D207-F209 PolarHBondContact O-N 3.2Å; F209-L211 VanDerWaalsContact C-N 3.32Å; F209-F212 PolarHBondContact O-N 3.39Å; F209-S213 PolarHBondContact O-N 3.17Å
210V64Low59.2Low68 Ų68127.3 Ų127.341%0.41259%0.588SS.*Hα-helixtrans-66-39.8176.21780000110.2D207 E208 S213 K214D207-V210 PolarHBondContact O-N 3.21Å; E208-V210 VanDerWaalsContact C-N 3.35Å; V210-S213 PolarHBondContact O-N 2.96Å; V210-K214 HydrophobicContact CG1-CD 4.19Å; V210-K214 HydrophobicContact CG1-CG 4.45Å; V210-K214 WeakPolarHBondContact O-CB 3.2Å; V210-K214 WeakPolarHBondContact O-CG 3.46Å; V210-K214 PolarHBondContact O-N 2.85Å
211L62.7Low60.2Low47 Ų47122.5 Ų122.525%0.24657%0.573CS.*Hα-helixtrans-62.9-44.3174.6-99.8157.4000112.4I41 L45 D207 E208 F209 S213 K214 Y215I41-L211 HydrophobicContact CG2-CD1 4.48Å; L45-L211 HydrophobicContact CD1-CD2 3.34Å; L45-L211 HydrophobicContact CD2-CD2 3.97Å; L45-L211 HydrophobicContact CG-CD2 4.25Å; D207-L211 HydrophobicContact CB-CD1 4.48Å; D207-L211 VanDerWaalsContact O-CB 3.29Å; D207-L211 WeakPolarHBondContact O-CB 3.44Å; D207-L211 PolarHBondContact O-N 3.44Å; E208-L211 WeakPolarHBondContact O-CB 3.3Å; E208-L211 PolarHBondContact O-N 2.96Å; F209-L211 VanDerWaalsContact C-N 3.32Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 3.43Å; L211-K214 PolarHBondContact O-N 2.72Å; L211-Y215 WeakPolarHBondContact O-CB 3.25Å; L211-Y215 PolarHBondContact O-N 2.79Å
212F65.8Low61.3Low107 Ų107127.9 Ų127.947%0.46958%0.581SS.*Hα-helixtrans-61.2-44.3174-178.2-112000111.6L60 E208 F209 K214 Y215 A216L60-F212 HydrophobicContact CD1-CD2 4.32Å; L60-F212 HydrophobicContact CD2-CD2 3.36Å; L60-F212 HydrophobicContact CD2-CE2 3.06Å; L60-F212 HydrophobicContact CD2-CG 4.49Å; L60-F212 HydrophobicContact CD2-CZ 4Å; L60-F212 HydrophobicContact CG-CD2 4.47Å; L60-F212 HydrophobicContact CG-CE2 4.47Å; E208-F212 PolarHBondContact O-N 3.25Å; F209-F212 PolarHBondContact O-N 3.39Å; F212-K214 PolarHBondContact O-N 3.44Å; F212-Y215 PolarHBondContact O-N 3Å; F212-A216 WeakPolarHBondContact O-CB 3.48Å; F212-A216 PolarHBondContact O-N 3.03Å
213S70.4Confident62.3Low77 Ų77119.5 Ų119.554%0.53856%0.562SS.*Hα-helixtrans-63.3-39.9176-173.30000112.5F209 V210 L211 R217F209-S213 PolarHBondContact O-N 3.17Å; V210-S213 PolarHBondContact O-N 2.96Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 3.43Å; S213-R217 WeakPolarHBondContact O-CB 3.42Å; S213-R217 PolarHBondContact O-N 3.15Å
214K73.3Confident62.8Low120 Ų120116.8 Ų116.852%0.52256%0.558SS.*Hα-helixtrans-65.4-43175.3-79.4174.9179.9169.90111.4V210 L211 F212 R217 M218V210-K214 HydrophobicContact CG1-CD 4.19Å; V210-K214 HydrophobicContact CG1-CG 4.45Å; V210-K214 WeakPolarHBondContact O-CB 3.2Å; V210-K214 WeakPolarHBondContact O-CG 3.46Å; V210-K214 PolarHBondContact O-N 2.85Å; L211-K214 PolarHBondContact O-N 2.72Å; F212-K214 PolarHBondContact O-N 3.44Å; K214-R217 PolarHBondContact O-N 3.36Å; K214-M218 PolarHBondContact O-N 3.42Å
215Y67.7Low62.9Low41 Ų41113.2 Ų113.216%0.16155%0.554CS.*Hα-helixtrans-64.8-45.2178.2-173.7-98.1000111.5L45 L211 F212 R217 M218 Q219L45-Y215 HydrophobicContact CD2-CD2 3.64Å; L45-Y215 HydrophobicContact CD2-CE2 4.39Å; L45-Y215 HydrophobicContact CD2-CG 4.32Å; L211-Y215 WeakPolarHBondContact O-CB 3.25Å; L211-Y215 PolarHBondContact O-N 2.79Å; F212-Y215 PolarHBondContact O-N 3Å; Y215-R217 VanDerWaalsContact C-N 3.28Å; Y215-R217 PolarHBondContact O-N 3.04Å; Y215-M218 PolarHBondContact O-N 2.89Å; Y215-Q219 HydrophobicContact CD1-CG 4.03Å; Y215-Q219 HydrophobicContact CE1-CG 3.67Å; Y215-Q219 HydrophobicContact CE2-CG 4.46Å; Y215-Q219 VanDerWaalsContact CZ-NE2 3.26Å; Y215-Q219 WeakPolarHBondContact O-CG 3.38Å; Y215-Q219 PolarHBondContact O-N 3.36Å; Y215-Q219 PolarHBondContact OH-NE2 3.21Å
216A73.3Confident62.8Low42 Ų42121 Ų12135%0.34758%0.575SS.*Hα-helixtrans-58.9-40.7174.700000111.7F212 R220F212-A216 WeakPolarHBondContact O-CB 3.48Å; F212-A216 PolarHBondContact O-N 3.03Å; A216-R220 WeakPolarHBondContact O-CB 3.35Å; A216-R220 PolarHBondContact O-N 3.27Å; A216-R220 VanDerWaalsContact O-N 3.08Å
217R75.1Confident63.4Low189 Ų189116.2 Ų116.271%0.71356%0.561SS**Hα-helixtrans-65.7-43.4174.9-169.7174.7-176.5171.91.3112.4S213 K214 Y215 R220 L221S213-R217 WeakPolarHBondContact O-CB 3.42Å; S213-R217 PolarHBondContact O-N 3.15Å; K214-R217 PolarHBondContact O-N 3.36Å; Y215-R217 VanDerWaalsContact C-N 3.28Å; Y215-R217 PolarHBondContact O-N 3.04Å; R217-R220 PolarHBondContact O-N 3.46Å; R217-L221 HydrophobicContact CG-CD1 4.47Å; R217-L221 WeakPolarHBondContact O-CG 3.26Å; R217-L221 PolarHBondContact O-N 3.01Å; R217-L221 VanDerWaalsContact O-N 3.15Å
218M70.4Confident63.8Low103 Ų103117.6 Ų117.651%0.50757%0.565SS.*Hα-helixtrans-63.5-41.1176.6-86.6-150.7-76.900112.5K214 Y215 L221 K222K214-M218 PolarHBondContact O-N 3.42Å; Y215-M218 PolarHBondContact O-N 2.89Å; M218-L221 PolarHBondContact O-N 2.93Å; M218-K222 PolarHBondContact O-N 3.14Å; M218-K222 VanDerWaalsContact O-N 3.15Å
219Q65.6Low64Low74 Ų74120.1 Ų120.135%0.34658%0.578SS.*Hα-helixtrans-68.1-36.6178.3-69.8-67.89.900112.1Y215 L221 K222 S223Y215-Q219 HydrophobicContact CD1-CG 4.03Å; Y215-Q219 HydrophobicContact CE1-CG 3.67Å; Y215-Q219 HydrophobicContact CE2-CG 4.46Å; Y215-Q219 VanDerWaalsContact CZ-NE2 3.26Å; Y215-Q219 WeakPolarHBondContact O-CG 3.38Å; Y215-Q219 PolarHBondContact O-N 3.36Å; Y215-Q219 PolarHBondContact OH-NE2 3.21Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; Q219-L221 PolarHBondContact O-N 3.07Å; Q219-K222 PolarHBondContact O-N 3.48Å; Q219-S223 PolarHBondContact O-N 2.98Å
220R68.8Low64.5Low192 Ų192116.5 Ų116.573%0.72557%0.565SS**Hα-helixtrans-61.5-41.2174-164.1178.1-71.3170-3.2111.6A216 R217 S223A216-R220 WeakPolarHBondContact O-CB 3.35Å; A216-R220 PolarHBondContact O-N 3.27Å; A216-R220 VanDerWaalsContact O-N 3.08Å; R217-R220 PolarHBondContact O-N 3.46Å; R220-S223 PolarHBondContact O-N 2.97Å; R220-S223 PolarHBondContact O-OG 3.48Å
221L66.7Low64.5Low126 Ų126119.5 Ų119.566%0.6657%0.574SS**Hα-helixtrans-68.5-31.9178.4-71.9168000113.6R217 M218 Q219 S223R217-L221 HydrophobicContact CG-CD1 4.47Å; R217-L221 WeakPolarHBondContact O-CG 3.26Å; R217-L221 PolarHBondContact O-N 3.01Å; R217-L221 VanDerWaalsContact O-N 3.15Å; M218-L221 PolarHBondContact O-N 2.93Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; Q219-L221 PolarHBondContact O-N 3.07Å; L221-S223 VanDerWaalsContact C-N 3.34Å
222K63.6Low64.6Low164 Ų164124.3 Ų124.371%0.71360%0.596SS**Hα-helixtrans-75.5-18.1176.9-77.3-178.9179.2177.90114.1M218 Q219M218-K222 PolarHBondContact O-N 3.14Å; M218-K222 VanDerWaalsContact O-N 3.15Å; Q219-K222 PolarHBondContact O-N 3.48Å
223S59.1Low64.5Low80 Ų80125.6 Ų125.656%0.55961%0.605SS**THydrogen-bonded Turntrans-83.7-6.4-178.373.30000115.2Q219 R220 L221 P225Q219-S223 PolarHBondContact O-N 2.98Å; R220-S223 PolarHBondContact O-N 2.97Å; R220-S223 PolarHBondContact O-OG 3.48Å; L221-S223 VanDerWaalsContact C-N 3.34Å; S223-P225 VanDerWaalsContact C-CD 3.42Å; S223-P225 WeakPolarHBondContact O-CD 3.33Å
224H51.4Low64.1Low155 Ų155129.3 Ų129.372%0.71861%0.611SS**  trans-110.481.1174-78.1-70000111.2K226H224-K226 PolarHBondContact O-N 3.48Å
225P53.2Low63.3Low116 Ų116130.1 Ų130.175%0.75362%0.618SS**  trans-70.4120.2155.730.6-28.4000107.8S223S223-P225 VanDerWaalsContact C-CD 3.42Å; S223-P225 WeakPolarHBondContact O-CD 3.33Å
226K44.8Very low62.9Low279 Ų279138.2 Ų138.2100%1.21366%0.659SS**  trans-70.10155.1-80-174.6176.8-177.40109.3H224H224-K226 PolarHBondContact O-N 3.48Å

Retrieved 226 of 226 residues in 334.5 ms (Link to these results)

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