A0A077ZK61_TRITR Loading...

Ubiquitin conjugating enzyme E2 1

AlphaFold DB , UniProt , Accession A0A077ZK61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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
1M57.4Low75.3Confident74 Ų7482.4 Ų82.437%0.36548%0.475SS..  089.40-66.8-171.4-164.100108.8A87 A88 L91M1-A87 HydrophobicContact CE-CB 3.82Å; M1-A88 VanDerWaalsContact CE-CA 3.43Å; M1-A88 HydrophobicContact CE-CB 3.74Å; M1-A88 VanDerWaalsContact CE-N 3.32Å; M1-A88 HydrophobicContact SD-CB 4.16Å; M1-L91 HydrophobicContact CE-CD1 3.81Å
2Q53.8Low76.9Confident197 Ų19779.9 Ų79.992%0.92147%0.472SS*.  trans-116.72.7-173.7-102.2167-8.300114.6
3E56.2Low78.4Confident189 Ų18978.4 Ų78.488%0.88347%0.465SS*.SBendtrans-131.1108.8167.9-64.4-16716200108.2
4D64.6Low79.6Confident154 Ų15475.2 Ų75.282%0.82445%0.447SS*.  trans52.577.9174-146.218.4000117.2
5P65.9Low80.5Confident60 Ų6083.4 Ų83.439%0.3948%0.479SS..PPolyproline II helixtrans-63.8142.4174.529.2-33.5000110.4A7P5-A7 PolarHBondContact O-N 2.92Å
6P76.3Confident81.4Confident48 Ų4888.3 Ų88.331%0.31250%0.503SS..PPolyproline II helixtrans-54.3143.9174.1-24.233.3000111.4G8 I9 A88P6-G8 PolarHBondContact O-N 3.19Å; P6-I9 HydrophobicContact CB-CD1 3.82Å; P6-I9 HydrophobicContact CB-CG1 3.79Å; P6-I9 HydrophobicContact CG-CD1 3.76Å; P6-I9 HydrophobicContact CG-CG1 4.14Å; P6-I9 VanDerWaalsContact O-CG1 3.25Å; P6-I9 WeakPolarHBondContact O-CG1 3.28Å; P6-I9 PolarHBondContact O-N 2.94Å; P6-I9 VanDerWaalsContact O-N 3.09Å; P6-A88 HydrophobicContact CG-CB 4.41Å
7A84.2Confident82.2Confident91 Ų9187.2 Ų87.275%0.75250%0.495SS*.THydrogen-bonded Turntrans-56.1126.9-173.900000111.1P5 Q95P5-A7 PolarHBondContact O-N 2.92Å; A7-Q95 PolarHBondContact O-NE2 3.04Å; A7-Q95 PolarHBondContact O-OE1 3.13Å
8G89.8Confident82.9Confident26 Ų2689.7 Ų89.727%0.26851%0.506SS..THydrogen-bonded Turntrans83.96.5177.500000115.1P6 F26P6-G8 PolarHBondContact O-N 3.19Å; G8-F26 WeakPolarHBondContact O-CB 3.29Å; G8-F26 WeakPolarHBondContact O-CD2 3.43Å; G8-F26 PolarHBondContact O-N 2.85Å
9I92.9Very high83.7Confident6 Ų687.5 Ų87.53%0.03149%0.492CS..EExtended strand (participates in β ladder)trans-126.8148.6170.964165000112.1P6 L24 I25 L91 Q95P6-I9 HydrophobicContact CB-CD1 3.82Å; P6-I9 HydrophobicContact CB-CG1 3.79Å; P6-I9 HydrophobicContact CG-CD1 3.76Å; P6-I9 HydrophobicContact CG-CG1 4.14Å; P6-I9 VanDerWaalsContact O-CG1 3.25Å; P6-I9 WeakPolarHBondContact O-CG1 3.28Å; P6-I9 PolarHBondContact O-N 2.94Å; P6-I9 VanDerWaalsContact O-N 3.09Å; I9-L24 WeakPolarHBondContact CA-O 3.14Å; I9-I25 HydrophobicContact CG2-CG1 4.13Å; I9-I25 HydrophobicContact CG2-CG2 4.35Å; I9-L91 HydrophobicContact CB-CB 4.34Å; I9-L91 HydrophobicContact CD1-CB 3.6Å; I9-L91 HydrophobicContact CG2-CB 4.34Å; I9-Q95 HydrophobicContact CG2-CB 4.27Å
10S93.1Very high84.4Confident46 Ų4684.6 Ų84.632%0.32248%0.476SS..EExtended strand (participates in β ladder)trans-147.1153.4169.759.20000109.9A23 L24S10-A23 CarbonylContact O-C 2.88Å; S10-A23 WeakPolarHBondContact O-CA 3.37Å; S10-A23 WeakPolarHBondContact O-CB 3.45Å; S10-L24 PolarHBondContact N-O 2.84Å; S10-L24 PolarHBondContact O-N 3.29Å
11G93.7Very high85Confident15 Ų1583.1 Ų83.116%0.15546%0.463CS..EExtended strand (participates in β ladder)trans-166.2143.6178.200000113.3H22G11-H22 VanDerWaalsContact CA-O 3.31Å; G11-H22 WeakPolarHBondContact CA-O 3.47Å
12A94.8Very high86.9Confident53 Ų5384.5 Ų84.544%0.43847%0.469SS..EExtended strand (participates in β ladder)trans-147.6151.118000000111.3W21 H22A12-W21 CarbonylContact O-C 3.55Å; A12-W21 VanDerWaalsContact O-CA 3.24Å; A12-W21 WeakPolarHBondContact O-CA 3.36Å; A12-W21 WeakPolarHBondContact O-CB 3.27Å; A12-H22 PolarHBondContact N-O 3.47Å; A12-H22 PolarHBondContact O-N 3.19Å
13P96.5Very high88.9Confident60 Ų6075.3 Ų75.339%0.3943%0.426SS..EExtended strand (participates in β ladder)trans-60.1152.4168.626.1-33000111V20 W21P13-V20 CarbonylContact C-O 3.53Å; P13-V20 WeakPolarHBondContact CA-O 3.42Å; P13-W21 HydrophobicContact CB-CD2 4.47Å; P13-W21 HydrophobicContact CB-CG 4.37Å
14T94.8Very high90.8Very high34 Ų3468.3 Ų68.321%0.20940%0.395CS..  trans-70.3158.5168.764.70000110.3D16 N17 V20T14-D16 VanDerWaalsContact C-N 3.26Å; T14-D16 PolarHBondContact O-N 3.16Å; T14-N17 PolarHBondContact OG1-N 3.01Å; T14-N17 PolarHBondContact OG1-O 3.04Å; T14-N17 VanDerWaalsContact OG1-O 3.08Å; T14-V20 HydrophobicContact CG2-CB 4.26Å; T14-V20 HydrophobicContact CG2-CG1 3.92Å; T14-V20 PolarHBondContact N-O 3.04Å
15E93.9Very high92.3Very high198 Ų19861 Ų6193%0.92536%0.356SS*.SBendtrans-61.9-35.1-178-63.4-177-179.800112.3
16D94.7Very high93.8Very high162 Ų16262.6 Ų62.687%0.86636%0.356SS*.SBendtrans-93.8-18.9-172.9-54.7-49.3000113.8T14T14-D16 VanDerWaalsContact C-N 3.26Å; T14-D16 PolarHBondContact O-N 3.16Å
17N94.6Very high94.7Very high69 Ų6960.8 Ų60.837%0.36935%0.347SS..  trans-150.2107-173.6-171.2-7000113T14 L19 V20T14-N17 PolarHBondContact OG1-N 3.01Å; T14-N17 PolarHBondContact OG1-O 3.04Å; T14-N17 VanDerWaalsContact OG1-O 3.08Å; N17-L19 PolarHBondContact O-N 3.25Å; N17-L19 VanDerWaalsContact O-N 3.09Å; N17-L19 VanDerWaalsContact OD1-CB 3.3Å; N17-L19 WeakPolarHBondContact OD1-CB 3.34Å; N17-L19 PolarHBondContact OD1-N 3.4Å; N17-V20 HydrophobicContact CB-CB 4.44Å; N17-V20 HydrophobicContact CB-CG2 4.34Å; N17-V20 PolarHBondContact O-N 3.12Å; N17-V20 VanDerWaalsContact O-O 3.06Å
18I95.5Very high95.2Very high133 Ų13357.6 Ų57.668%0.68232%0.318SS*.THydrogen-bonded Turntrans-62.7-18.4178.165.4166.5000114.2V20 W21I18-V20 VanDerWaalsContact C-N 3.31Å; I18-W21 VanDerWaalsContact O-CD1 3.28Å; I18-W21 PolarHBondContact O-NE1 2.72Å
19L97Very high95.5Very high47 Ų4763.7 Ų63.725%0.24634%0.34CS..THydrogen-bonded Turntrans-84.2-5.8176.8-59178.6000112.5N17 F44N17-L19 PolarHBondContact O-N 3.25Å; N17-L19 VanDerWaalsContact O-N 3.09Å; N17-L19 VanDerWaalsContact OD1-CB 3.3Å; N17-L19 WeakPolarHBondContact OD1-CB 3.34Å; N17-L19 PolarHBondContact OD1-N 3.4Å; L19-F44 HydrophobicContact CB-CB 4.33Å; L19-F44 HydrophobicContact CD2-CB 4.21Å; L19-F44 WeakPolarHBondContact O-CD2 3.49Å; L19-F44 PolarHBondContact O-N 3.24Å
20V97.7Very high95.5Very high29 Ų2970.8 Ų70.818%0.17638%0.378CS..EExtended strand (participates in β ladder)trans-117.3121.6175.6-179.40000108.2P13 T14 N17 I18 V41 L42P13-V20 CarbonylContact C-O 3.53Å; P13-V20 WeakPolarHBondContact CA-O 3.42Å; T14-V20 HydrophobicContact CG2-CB 4.26Å; T14-V20 HydrophobicContact CG2-CG1 3.92Å; T14-V20 PolarHBondContact N-O 3.04Å; N17-V20 HydrophobicContact CB-CB 4.44Å; N17-V20 HydrophobicContact CB-CG2 4.34Å; N17-V20 PolarHBondContact O-N 3.12Å; N17-V20 VanDerWaalsContact O-O 3.06Å; I18-V20 VanDerWaalsContact C-N 3.31Å; V20-V41 HydrophobicContact CG1-CG2 3.78Å; V20-L42 WeakPolarHBondContact CA-O 3.39Å
21W97.9Very high95.6Very high55 Ų5569.1 Ų69.121%0.20837%0.366CS..EExtended strand (participates in β ladder)trans-115.4135.6179.3-72.542.5000110.4A12 P13 I18 V41 L42 F44 A87A12-W21 CarbonylContact O-C 3.55Å; A12-W21 VanDerWaalsContact O-CA 3.24Å; A12-W21 WeakPolarHBondContact O-CA 3.36Å; A12-W21 WeakPolarHBondContact O-CB 3.27Å; P13-W21 HydrophobicContact CB-CD2 4.47Å; P13-W21 HydrophobicContact CB-CG 4.37Å; I18-W21 VanDerWaalsContact O-CD1 3.28Å; I18-W21 PolarHBondContact O-NE1 2.72Å; W21-V41 VanDerWaalsContact O-CA 3.31Å; W21-V41 WeakPolarHBondContact O-CA 3.39Å; W21-V41 WeakPolarHBondContact O-CG2 3.2Å; W21-L42 HydrophobicContact CB-CB 4.28Å; W21-L42 PolarHBondContact N-O 3.04Å; W21-L42 PolarHBondContact O-N 2.94Å; W21-F44 HydrophobicContact CB-CE2 4.07Å; W21-F44 AromaticContact CD1-CD2 3.76Å; W21-F44 AromaticContact CD1-CE2 3.48Å; W21-F44 VanDerWaalsContact CD1-CE2 3.48Å; W21-F44 HydrophobicContact CD2-CE2 4.09Å; W21-F44 HydrophobicContact CG-CD2 4.33Å; W21-F44 AromaticContact CG-CE2 3.63Å; W21-F44 HydrophobicContact CG-CE2 3.63Å; W21-F44 AromaticContact NE1-CE2 3.87Å; W21-A87 HydrophobicContact CE3-CB 4.38Å; W21-A87 HydrophobicContact CZ3-CB 4.22Å
22H96.8Very high95.7Very high103 Ų10369.3 Ų69.348%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-97.9133.2166.6-72.7175.2000109.3G11 A12G11-H22 VanDerWaalsContact CA-O 3.31Å; G11-H22 WeakPolarHBondContact CA-O 3.47Å; A12-H22 PolarHBondContact N-O 3.47Å; A12-H22 PolarHBondContact O-N 3.19Å
23A96.8Very high95.8Very high4 Ų466.9 Ų66.93%0.03334%0.344CS..EExtended strand (participates in β ladder)trans-131.6155-179.700000111.5S10 K39 V40 L42 L91S10-A23 CarbonylContact O-C 2.88Å; S10-A23 WeakPolarHBondContact O-CA 3.37Å; S10-A23 WeakPolarHBondContact O-CB 3.45Å; A23-K39 WeakPolarHBondContact O-CA 3.2Å; A23-V40 HydrophobicContact CB-CB 4.32Å; A23-V40 PolarHBondContact N-O 3.01Å; A23-V40 PolarHBondContact O-N 3Å; A23-L42 HydrophobicContact CB-CD1 3.89Å; A23-L91 HydrophobicContact CB-CD1 3.62Å; A23-L91 HydrophobicContact CB-CD2 3.66Å; A23-L91 HydrophobicContact CB-CG 4.29Å
24L95.9Very high95.8Very high42 Ų4267.2 Ų67.222%0.2234%0.34CS..EExtended strand (participates in β ladder)trans-119.1134.6171.1-60.3176.6000108.8I9 S10 T37 F38 K39 F137I9-L24 WeakPolarHBondContact CA-O 3.14Å; S10-L24 PolarHBondContact N-O 2.84Å; S10-L24 PolarHBondContact O-N 3.29Å; L24-T37 HydrophobicContact CB-CG2 4.45Å; L24-T37 HydrophobicContact CD1-CG2 4.47Å; L24-T37 HydrophobicContact CD2-CG2 4.19Å; L24-F38 WeakPolarHBondContact CA-O 3.49Å; L24-K39 HydrophobicContact CD2-CB 4.41Å; L24-K39 HydrophobicContact CD2-CG 3.64Å; L24-F137 HydrophobicContact CD1-CE1 4.35Å
25I96.5Very high95.8Very high0 Ų071.2 Ų71.20%036%0.361CS..EExtended strand (participates in β ladder)trans-118.5120.5170-60.1-178.9000107.3I9 F38 V40 L91 I94 Q95 L98I9-I25 HydrophobicContact CG2-CG1 4.13Å; I9-I25 HydrophobicContact CG2-CG2 4.35Å; I25-F38 PolarHBondContact N-O 3.36Å; I25-F38 WeakPolarHBondContact O-CD2 3.4Å; I25-F38 PolarHBondContact O-N 3.31Å; I25-V40 HydrophobicContact CD1-CG2 3.83Å; I25-V40 HydrophobicContact CG1-CG2 4.11Å; I25-L91 HydrophobicContact CD1-CD2 3.85Å; I25-L91 HydrophobicContact CG1-CD2 4.01Å; I25-I94 HydrophobicContact CD1-CB 3.76Å; I25-I94 HydrophobicContact CD1-CG2 3.42Å; I25-I94 VanDerWaalsContact CD1-CG2 3.42Å; I25-Q95 HydrophobicContact CG2-CB 3.84Å; I25-Q95 HydrophobicContact CG2-CG 3.97Å; I25-L98 HydrophobicContact CG2-CD1 4.12Å
26F96Very high95.9Very high93 Ų9361.8 Ų61.841%0.40832%0.316SS..EExtended strand (participates in β ladder)trans-81.1136.3168.8-65.5-73.4000109.4G8 G36 T37 Q95G8-F26 WeakPolarHBondContact O-CB 3.29Å; G8-F26 WeakPolarHBondContact O-CD2 3.43Å; G8-F26 PolarHBondContact O-N 2.85Å; F26-G36 WeakPolarHBondContact CA-O 3.42Å; F26-T37 HydrophobicContact CD1-CG2 4Å; F26-T37 WeakPolarHBondContact CD1-OG1 3.37Å; F26-T37 HydrophobicContact CE1-CG2 3.65Å; F26-T37 WeakPolarHBondContact CE1-OG1 3.45Å; F26-T37 HydrophobicContact CZ-CG2 4.32Å; F26-Q95 PolarHBondContact O-NE2 3.12Å
27G95.9Very high95.9Very high11 Ų1154.7 Ų54.711%0.11328%0.279CS..PPolyproline II helixtrans-57.7133.217500000111.5F33 G36G27-F33 WeakPolarHBondContact CA-O 3.44Å; G27-G36 PolarHBondContact N-O 3.03Å
28P95.7Very high96.1Very high23 Ų2351.4 Ų51.415%0.14926%0.261CS..PPolyproline II helixtrans-63148.5178.5-18.730.7000112T31 Q95 L98 D99P28-T31 HydrophobicContact CB-CG2 3.8Å; P28-T31 HydrophobicContact CG-CG2 4.35Å; P28-T31 PolarHBondContact O-OG1 3.11Å; P28-Q95 HydrophobicContact CG-CG 3.89Å; P28-L98 HydrophobicContact CG-CB 4.42Å; P28-D99 HydrophobicContact CB-CB 4.48Å; P28-D99 HydrophobicContact CG-CB 4.27Å
29Q94.1Very high96.1Very high154 Ų15447.3 Ų47.372%0.7224%0.238SC*.THydrogen-bonded Turntrans-61151.6173.5-69.1177.4300111T31Q29-T31 PolarHBondContact O-N 3.12Å
30D93.4Very high96.1Very high156 Ų15645 Ų4583%0.83423%0.227SC*.THydrogen-bonded Turntrans62.618.4179.8-60.2-53.8000114.1E34D30-E34 PolarHBondContact N-OE2 3.24Å
31T95.1Very high96.1Very high11 Ų1143.8 Ų43.87%0.06722%0.219CC..SBendtrans-115.3158.7174.476.60000111.1P28 Q29 F33 E34 D99P28-T31 HydrophobicContact CB-CG2 3.8Å; P28-T31 HydrophobicContact CG-CG2 4.35Å; P28-T31 PolarHBondContact O-OG1 3.11Å; Q29-T31 PolarHBondContact O-N 3.12Å; T31-F33 PolarHBondContact O-N 3.34Å; T31-F33 PolarHBondContact OG1-N 3.22Å; T31-E34 VanDerWaalsContact O-CB 3.28Å; T31-E34 WeakPolarHBondContact O-CB 3.49Å; T31-E34 PolarHBondContact O-N 3.04Å; T31-E34 PolarHBondContact OG1-N 2.95Å; T31-D99 HydrophobicContact CG2-CB 3.98Å; T31-D99 VanDerWaalsContact CG2-OD1 3.29Å; T31-D99 WeakPolarHBondContact CG2-OD1 3.44Å
32P96Very high96.2Very high19 Ų1941.2 Ų41.212%0.12321%0.21CC..THydrogen-bonded Turntrans-60-15.4171.7-23.234.4000113.8Y122 D123 V126 Q127P32-Y122 HydrophobicContact CG-CE1 4.35Å; P32-D123 HydrophobicContact CB-CB 4.49Å; P32-D123 WeakPolarHBondContact CG-OD1 3.37Å; P32-V126 HydrophobicContact CB-CB 3.97Å; P32-V126 HydrophobicContact CB-CG1 3.85Å; P32-V126 HydrophobicContact CB-CG2 4.48Å; P32-V126 VanDerWaalsContact O-CG1 3.27Å; P32-V126 WeakPolarHBondContact O-CG1 3.46Å; P32-Q127 PolarHBondContact O-NE2 2.85Å
33F97.2Very high96.2Very high1 Ų139.8 Ų39.80%0.00420%0.203CC..THydrogen-bonded Turntrans-88.9-7.8178.8-65.9-84.2000113.5G27 T31 G36 F38 I61 H63 L98 Y122 V126G27-F33 WeakPolarHBondContact CA-O 3.44Å; T31-F33 PolarHBondContact O-N 3.34Å; T31-F33 PolarHBondContact OG1-N 3.22Å; F33-G36 WeakPolarHBondContact O-CA 3.42Å; F33-G36 PolarHBondContact O-N 3.32Å; F33-F38 HydrophobicContact CB-CE2 4.13Å; F33-F38 HydrophobicContact CB-CZ 4.36Å; F33-F38 HydrophobicContact CD1-CE2 4.01Å; F33-F38 AromaticContact CD1-CZ 3.74Å; F33-F38 HydrophobicContact CD1-CZ 3.74Å; F33-I61 HydrophobicContact CE1-CD1 4.39Å; F33-I61 HydrophobicContact CE1-CG1 4.14Å; F33-H63 AromaticContact CE2-CD2 3.93Å; F33-H63 HydrophobicContact CZ-CB 4.31Å; F33-H63 AromaticContact CZ-CD2 3.71Å; F33-L98 HydrophobicContact CD1-CD2 4.35Å; F33-L98 HydrophobicContact CD2-CB 4.04Å; F33-L98 WeakPolarHBondContact CD2-O 3.47Å; F33-L98 HydrophobicContact CE1-CD2 4.23Å; F33-L98 HydrophobicContact CE2-CB 4.44Å; F33-L98 HydrophobicContact CE2-CD2 4.48Å; F33-L98 WeakPolarHBondContact CE2-O 3.27Å; F33-L98 HydrophobicContact CG-CB 4.3Å; F33-L98 HydrophobicContact CZ-CD2 4.31Å; F33-Y122 WeakPolarHBondContact CE2-OH 3.08Å; F33-V126 HydrophobicContact CB-CG1 4.49Å; F33-V126 HydrophobicContact CD1-CG1 3.41Å; F33-V126 VanDerWaalsContact CD1-CG1 3.41Å; F33-V126 HydrophobicContact CD2-CG1 4.02Å; F33-V126 HydrophobicContact CE1-CG1 3.41Å; F33-V126 VanDerWaalsContact CE1-CG1 3.41Å; F33-V126 HydrophobicContact CE1-CG2 4.29Å; F33-V126 HydrophobicContact CE2-CG1 4.01Å; F33-V126 HydrophobicContact CE2-CG2 4.41Å; F33-V126 HydrophobicContact CG-CG1 3.72Å; F33-V126 HydrophobicContact CZ-CG1 3.7Å; F33-V126 HydrophobicContact CZ-CG2 3.94Å
34E95.9Very high96.3Very high68 Ų6840.9 Ų40.932%0.31821%0.207SC..THydrogen-bonded Turntrans-47.2143.5179.4-174.3167.8-172.300111.6D30 T31 G36 V130D30-E34 PolarHBondContact N-OE2 3.24Å; T31-E34 VanDerWaalsContact O-CB 3.28Å; T31-E34 WeakPolarHBondContact O-CB 3.49Å; T31-E34 PolarHBondContact O-N 3.04Å; T31-E34 PolarHBondContact OG1-N 2.95Å; E34-G36 PolarHBondContact O-N 3.35Å; E34-V130 WeakPolarHBondContact O-CG1 3.19Å
35D94.6Very high96.3Very high118 Ų11841.1 Ų41.163%0.63121%0.213SC*.THydrogen-bonded Turntrans63.2-2.5-171.8-59.5-40.2000116.1W134D35-W134 HydrophobicContact CB-CZ2 4.25Å; D35-W134 PolarHBondContact O-NE1 2.78Å
36G96.4Very high96.3Very high0 Ų049.1 Ų49.10%025%0.25CC..  trans-70.4141.9173.200000112.5F26 G27 F33 E34F26-G36 WeakPolarHBondContact CA-O 3.42Å; G27-G36 PolarHBondContact N-O 3.03Å; F33-G36 WeakPolarHBondContact O-CA 3.42Å; F33-G36 PolarHBondContact O-N 3.32Å; E34-G36 PolarHBondContact O-N 3.35Å
37T96.2Very high96.4Very high13 Ų1349.2 Ų49.28%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-121.1101.6171.6-49.80000111.7L24 F26 S133 F137L24-T37 HydrophobicContact CB-CG2 4.45Å; L24-T37 HydrophobicContact CD1-CG2 4.47Å; L24-T37 HydrophobicContact CD2-CG2 4.19Å; F26-T37 HydrophobicContact CD1-CG2 4Å; F26-T37 WeakPolarHBondContact CD1-OG1 3.37Å; F26-T37 HydrophobicContact CE1-CG2 3.65Å; F26-T37 WeakPolarHBondContact CE1-OG1 3.45Å; F26-T37 HydrophobicContact CZ-CG2 4.32Å; T37-S133 PolarHBondContact N-OG 3.39Å; T37-S133 WeakPolarHBondContact O-CB 3.3Å; T37-F137 HydrophobicContact CG2-CE1 4.21Å; T37-F137 HydrophobicContact CG2-CE2 4.38Å; T37-F137 HydrophobicContact CG2-CZ 3.48Å; T37-F137 VanDerWaalsContact CG2-CZ 3.48Å
38F96.9Very high96.4Very high0 Ų052.4 Ų52.40%026%0.261CS..EExtended strand (participates in β ladder)trans-100.3123-171.1-52.6-69.2000111.6L24 I25 F33 F57 I61 L98 I129 V130L24-F38 WeakPolarHBondContact CA-O 3.49Å; I25-F38 PolarHBondContact N-O 3.36Å; I25-F38 WeakPolarHBondContact O-CD2 3.4Å; I25-F38 PolarHBondContact O-N 3.31Å; F33-F38 HydrophobicContact CB-CE2 4.13Å; F33-F38 HydrophobicContact CB-CZ 4.36Å; F33-F38 HydrophobicContact CD1-CE2 4.01Å; F33-F38 AromaticContact CD1-CZ 3.74Å; F33-F38 HydrophobicContact CD1-CZ 3.74Å; F38-F57 HydrophobicContact CB-CD1 3.89Å; F38-F57 HydrophobicContact CB-CE1 3.66Å; F38-F57 HydrophobicContact CG-CE1 4.36Å; F38-I61 HydrophobicContact CD1-CD1 4.5Å; F38-L98 HydrophobicContact CD2-CD1 4.04Å; F38-L98 HydrophobicContact CE2-CD1 4.23Å; F38-I129 HydrophobicContact CE1-CG2 3.95Å; F38-V130 HydrophobicContact CZ-CG2 4.2Å
39K96.7Very high96.4Very high46 Ų4653.7 Ų53.720%0.227%0.269CS..EExtended strand (participates in β ladder)trans-80.7132.9174.4-62.4-173.5-177.8-170.30110A23 L24 F57 L58 S59 H136 P138A23-K39 WeakPolarHBondContact O-CA 3.2Å; L24-K39 HydrophobicContact CD2-CB 4.41Å; L24-K39 HydrophobicContact CD2-CG 3.64Å; K39-F57 CarbonylContact O-C 3.42Å; K39-F57 WeakPolarHBondContact O-CA 3.36Å; K39-L58 HydrophobicContact CB-CB 3.85Å; K39-L58 HydrophobicContact CB-CD1 4.47Å; K39-L58 PolarHBondContact O-N 3.38Å; K39-S59 PolarHBondContact N-OG 2.88Å; K39-S59 PolarHBondContact O-N 3.23Å; K39-H136 VanDerWaalsContact CE-O 3.27Å; K39-H136 WeakPolarHBondContact CE-O 3.35Å; K39-H136 PolarHBondContact NZ-O 2.94Å; K39-P138 VanDerWaalsContact NZ-CD 3.26Å
40V97.5Very high96.5Very high0 Ų052.3 Ų52.30%027%0.267CS..EExtended strand (participates in β ladder)trans-127.9142.1178.3-177.50000108.3A23 I25 L42 V55 R56 F57 L91A23-V40 HydrophobicContact CB-CB 4.32Å; A23-V40 PolarHBondContact N-O 3.01Å; A23-V40 PolarHBondContact O-N 3Å; I25-V40 HydrophobicContact CD1-CG2 3.83Å; I25-V40 HydrophobicContact CG1-CG2 4.11Å; V40-L42 HydrophobicContact CG1-CD1 4.14Å; V40-V55 HydrophobicContact CG1-CG1 3.46Å; V40-V55 VanDerWaalsContact CG1-CG1 3.46Å; V40-R56 WeakPolarHBondContact CA-O 3.26Å; V40-F57 HydrophobicContact CG2-CD1 3.62Å; V40-F57 HydrophobicContact CG2-CE1 3.57Å; V40-F57 HydrophobicContact CG2-CG 4.32Å; V40-F57 HydrophobicContact CG2-CZ 4.24Å; V40-L91 HydrophobicContact CB-CD2 4.47Å; V40-L91 HydrophobicContact CG1-CD2 4.37Å
41V97.7Very high96.7Very high3 Ų349.6 Ų49.62%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-112.3136.9168.762.90000109.4V20 W21 E43 V55 R56 L58V20-V41 HydrophobicContact CG1-CG2 3.78Å; W21-V41 VanDerWaalsContact O-CA 3.31Å; W21-V41 WeakPolarHBondContact O-CA 3.39Å; W21-V41 WeakPolarHBondContact O-CG2 3.2Å; V41-E43 HydrophobicContact CG2-CG 3.96Å; V41-V55 WeakPolarHBondContact O-CA 3.34Å; V41-R56 HydrophobicContact CG1-CG 3.34Å; V41-R56 PolarHBondContact N-O 2.86Å; V41-R56 PolarHBondContact O-N 3.1Å; V41-R56 VanDerWaalsContact O-N 3.17Å; V41-L58 HydrophobicContact CB-CD1 4.2Å; V41-L58 HydrophobicContact CB-CD2 4.15Å; V41-L58 HydrophobicContact CB-CG 4.11Å; V41-L58 HydrophobicContact CG1-CD2 3.71Å; V41-L58 HydrophobicContact CG1-CG 4.08Å
42L98.2Very high96.8Very high1 Ų150.8 Ų50.81%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-114121.6170.7-6279000107.8V20 W21 A23 V40 F44 N54 V55 A87 I90 L91V20-L42 WeakPolarHBondContact CA-O 3.39Å; W21-L42 HydrophobicContact CB-CB 4.28Å; W21-L42 PolarHBondContact N-O 3.04Å; W21-L42 PolarHBondContact O-N 2.94Å; A23-L42 HydrophobicContact CB-CD1 3.89Å; V40-L42 HydrophobicContact CG1-CD1 4.14Å; L42-F44 HydrophobicContact CB-CD2 4.5Å; L42-F44 HydrophobicContact CB-CE2 3.75Å; L42-F44 HydrophobicContact CB-CZ 4.04Å; L42-F44 HydrophobicContact CD2-CE2 4.48Å; L42-F44 HydrophobicContact CD2-CZ 4Å; L42-N54 CarbonylContact C-O 3.59Å; L42-N54 WeakPolarHBondContact CA-O 3.5Å; L42-V55 HydrophobicContact CD2-CG2 4.48Å; L42-V55 HydrophobicContact CG-CG1 4.28Å; L42-V55 HydrophobicContact CG-CG2 4.1Å; L42-A87 HydrophobicContact CD2-CB 4.34Å; L42-I90 HydrophobicContact CD2-CG2 4.18Å; L42-L91 HydrophobicContact CD1-CD2 4.03Å; L42-L91 HydrophobicContact CD1-CG 4.49Å
43E98Very high96.9Very high73 Ų7350 Ų5034%0.34125%0.251SS..EExtended strand (participates in β ladder)trans-111.2104.8179.6-59.6176.599.200108.3V41 P53 N54 R56V41-E43 HydrophobicContact CG2-CG 3.96Å; E43-P53 WeakPolarHBondContact O-CA 3.5Å; E43-N54 HydrophobicContact CB-CB 4.3Å; E43-N54 PolarHBondContact N-O 3.39Å; E43-N54 PolarHBondContact O-N 3.33Å; E43-R56 IonicContact OE2-NE 3.13Å
44F97.7Very high96.9Very high26 Ų2655.6 Ų55.611%0.11428%0.28CS..  trans-83.2153.2177.2-59.2-89.7000110.3L19 W21 L42 Y48 P53 A87L19-F44 HydrophobicContact CB-CB 4.33Å; L19-F44 HydrophobicContact CD2-CB 4.21Å; L19-F44 WeakPolarHBondContact O-CD2 3.49Å; L19-F44 PolarHBondContact O-N 3.24Å; W21-F44 HydrophobicContact CB-CE2 4.07Å; W21-F44 AromaticContact CD1-CD2 3.76Å; W21-F44 AromaticContact CD1-CE2 3.48Å; W21-F44 VanDerWaalsContact CD1-CE2 3.48Å; W21-F44 HydrophobicContact CD2-CE2 4.09Å; W21-F44 HydrophobicContact CG-CD2 4.33Å; W21-F44 AromaticContact CG-CE2 3.63Å; W21-F44 HydrophobicContact CG-CE2 3.63Å; W21-F44 AromaticContact NE1-CE2 3.87Å; L42-F44 HydrophobicContact CB-CD2 4.5Å; L42-F44 HydrophobicContact CB-CE2 3.75Å; L42-F44 HydrophobicContact CB-CZ 4.04Å; L42-F44 HydrophobicContact CD2-CE2 4.48Å; L42-F44 HydrophobicContact CD2-CZ 4Å; F44-Y48 HydrophobicContact CD1-CD1 4.13Å; F44-Y48 AromaticContact CD1-CD2 3.56Å; F44-Y48 HydrophobicContact CD1-CD2 3.56Å; F44-Y48 HydrophobicContact CD1-CE1 4.37Å; F44-Y48 AromaticContact CD1-CE2 3.81Å; F44-Y48 HydrophobicContact CD1-CE2 3.81Å; F44-Y48 AromaticContact CD1-CG 3.73Å; F44-Y48 HydrophobicContact CD1-CG 3.73Å; F44-Y48 AromaticContact CE1-CD2 3.92Å; F44-Y48 HydrophobicContact CE1-CD2 3.92Å; F44-Y48 HydrophobicContact CE1-CE1 4.37Å; F44-Y48 AromaticContact CE1-CE2 3.65Å; F44-Y48 HydrophobicContact CE1-CE2 3.65Å; F44-Y48 HydrophobicContact CE1-CG 4.37Å; F44-Y48 AromaticContact CE1-CZ 3.9Å; F44-P53 HydrophobicContact CD1-CB 3.65Å; F44-P53 HydrophobicContact CD1-CG 4.13Å; F44-P53 HydrophobicContact CE1-CB 3.74Å; F44-P53 HydrophobicContact CE1-CG 3.77Å; F44-P53 HydrophobicContact CG-CB 4.1Å; F44-P53 HydrophobicContact CZ-CB 4.27Å; F44-P53 HydrophobicContact CZ-CG 4.33Å; F44-A87 HydrophobicContact CZ-CB 4.36Å
45S97.1Very high97Very high48 Ų4852.9 Ų52.934%0.33627%0.268SS..  trans-115.4169.3168.871.50000110.2E47 Y48S45-E47 PolarHBondContact O-N 2.91Å; S45-E47 PolarHBondContact OG-N 2.81Å; S45-Y48 WeakPolarHBondContact O-CB 3.44Å; S45-Y48 PolarHBondContact O-N 3.43Å
46E96.8Very high97.1Very high168 Ų16851.5 Ų51.579%0.78525%0.254SS*.THydrogen-bonded Turntrans-59.6-11.2172.7-61.3-63.9163.100113.4
47E96.9Very high97.2Very high94 Ų9451.8 Ų51.844%0.43926%0.256SS..THydrogen-bonded Turntrans-88.7-4176.9-60.3-175.2-107.800112.9S45 N50 K51S45-E47 PolarHBondContact O-N 2.91Å; S45-E47 PolarHBondContact OG-N 2.81Å; E47-N50 CarbonylContact O-C 3.59Å; E47-N50 VanDerWaalsContact O-CA 3.31Å; E47-N50 WeakPolarHBondContact O-CA 3.48Å; E47-N50 VanDerWaalsContact O-CB 3.24Å; E47-N50 WeakPolarHBondContact O-CB 3.34Å; E47-N50 PolarHBondContact O-N 2.86Å; E47-K51 HydrophobicContact CB-CB 4.05Å; E47-K51 HydrophobicContact CB-CD 4.03Å; E47-K51 HydrophobicContact CB-CG 4.04Å; E47-K51 HydrophobicContact CG-CD 4.42Å; E47-K51 PolarHBondContact O-N 3.21Å; E47-K51 IonicContact OE1-NZ 2.78Å; E47-K51 PolarHBondContact OE1-NZ 3.31Å; E47-K51 VanDerWaalsContact OE2-CD 3.29Å; E47-K51 WeakPolarHBondContact OE2-CD 3.47Å; E47-K51 WeakPolarHBondContact OE2-CE 3.25Å; E47-K51 IonicContact OE2-NZ 3.31Å; E47-K51 PolarHBondContact OE2-NZ 2.91Å
48Y96.2Very high97.2Very high78 Ų7854.7 Ų54.731%0.30627%0.27SS..THydrogen-bonded Turntrans-67.3136.3173.9-177.7-95.6000110.9F44 S45 W81 Y85F44-Y48 HydrophobicContact CD1-CD1 4.13Å; F44-Y48 AromaticContact CD1-CD2 3.56Å; F44-Y48 HydrophobicContact CD1-CD2 3.56Å; F44-Y48 HydrophobicContact CD1-CE1 4.37Å; F44-Y48 AromaticContact CD1-CE2 3.81Å; F44-Y48 HydrophobicContact CD1-CE2 3.81Å; F44-Y48 AromaticContact CD1-CG 3.73Å; F44-Y48 HydrophobicContact CD1-CG 3.73Å; F44-Y48 AromaticContact CE1-CD2 3.92Å; F44-Y48 HydrophobicContact CE1-CD2 3.92Å; F44-Y48 HydrophobicContact CE1-CE1 4.37Å; F44-Y48 AromaticContact CE1-CE2 3.65Å; F44-Y48 HydrophobicContact CE1-CE2 3.65Å; F44-Y48 HydrophobicContact CE1-CG 4.37Å; F44-Y48 AromaticContact CE1-CZ 3.9Å; S45-Y48 WeakPolarHBondContact O-CB 3.44Å; S45-Y48 PolarHBondContact O-N 3.43Å; Y48-W81 HydrophobicContact CD2-CH2 4.44Å; Y48-W81 HydrophobicContact CD2-CZ2 4.2Å; Y48-W81 AromaticContact CE2-CH2 3.82Å; Y48-W81 HydrophobicContact CE2-CH2 3.82Å; Y48-W81 AromaticContact CE2-CZ2 3.92Å; Y48-W81 HydrophobicContact CE2-CZ2 3.92Å; Y48-Y85 PolarHBondContact OH-O 3.41Å
49P96.2Very high97.1Very high50 Ų5055.2 Ų55.233%0.32527%0.274SS..THydrogen-bonded Turncis-93.19.9737.5-36.7000114.8K51 W81 P83P49-K51 VanDerWaalsContact C-N 3.31Å; P49-K51 PolarHBondContact O-N 3.15Å; P49-W81 WeakPolarHBondContact O-CZ2 3.3Å; P49-W81 PolarHBondContact O-NE1 2.73Å; P49-P83 HydrophobicContact CB-CB 4.01Å; P49-P83 HydrophobicContact CG-CB 4.07Å; P49-P83 WeakPolarHBondContact O-CA 3.34Å; P49-P83 WeakPolarHBondContact O-CB 3.38Å
50N96.8Very high97Very high126 Ų12660.1 Ų60.167%0.67430%0.295SS*.THydrogen-bonded Turntrans-68.1-32.1178.1-59.4-50.4000112.3E47 W81E47-N50 CarbonylContact O-C 3.59Å; E47-N50 VanDerWaalsContact O-CA 3.31Å; E47-N50 WeakPolarHBondContact O-CA 3.48Å; E47-N50 VanDerWaalsContact O-CB 3.24Å; E47-N50 WeakPolarHBondContact O-CB 3.34Å; E47-N50 PolarHBondContact O-N 2.86Å; N50-W81 PolarHBondContact O-NE1 3.47Å
51K96.6Very high96.9Very high98 Ų9861.2 Ų61.243%0.42630%0.301SS..SBendtrans-111.3146.2169.3-72.8-171.3179.11610111.6E47 P49E47-K51 HydrophobicContact CB-CB 4.05Å; E47-K51 HydrophobicContact CB-CD 4.03Å; E47-K51 HydrophobicContact CB-CG 4.04Å; E47-K51 HydrophobicContact CG-CD 4.42Å; E47-K51 PolarHBondContact O-N 3.21Å; E47-K51 IonicContact OE1-NZ 2.78Å; E47-K51 PolarHBondContact OE1-NZ 3.31Å; E47-K51 VanDerWaalsContact OE2-CD 3.29Å; E47-K51 WeakPolarHBondContact OE2-CD 3.47Å; E47-K51 WeakPolarHBondContact OE2-CE 3.25Å; E47-K51 IonicContact OE2-NZ 3.31Å; E47-K51 PolarHBondContact OE2-NZ 2.91Å; P49-K51 VanDerWaalsContact C-N 3.31Å; P49-K51 PolarHBondContact O-N 3.15Å
52P97.2Very high96.9Very high36 Ų3662.3 Ų62.323%0.23431%0.305CS..PPolyproline II helixtrans-64.9153.3173.527.4-32.4000110.8L77 W81P52-L77 HydrophobicContact CB-CD2 4.34Å; P52-L77 WeakPolarHBondContact CG-O 3.47Å; P52-W81 HydrophobicContact CB-CB 4.42Å; P52-W81 HydrophobicContact CB-CD2 3.54Å; P52-W81 HydrophobicContact CB-CE3 3.57Å; P52-W81 HydrophobicContact CB-CG 3.93Å; P52-W81 HydrophobicContact CB-CZ3 4.08Å; P52-W81 HydrophobicContact CG-CB 4.31Å; P52-W81 HydrophobicContact CG-CD2 4.23Å; P52-W81 HydrophobicContact CG-CG 4.07Å
53P97.7Very high96.9Very high4 Ų462.2 Ų62.23%0.02631%0.305CS..PPolyproline II helixtrans-68.6155.5165.430.4-33.4000111E43 F44 V55 I90E43-P53 WeakPolarHBondContact O-CA 3.5Å; F44-P53 HydrophobicContact CD1-CB 3.65Å; F44-P53 HydrophobicContact CD1-CG 4.13Å; F44-P53 HydrophobicContact CE1-CB 3.74Å; F44-P53 HydrophobicContact CE1-CG 3.77Å; F44-P53 HydrophobicContact CG-CB 4.1Å; F44-P53 HydrophobicContact CZ-CB 4.27Å; F44-P53 HydrophobicContact CZ-CG 4.33Å; P53-V55 HydrophobicContact CG-CG2 4.16Å; P53-I90 HydrophobicContact CG-CD1 3.53Å
54N97.3Very high96.8Very high117 Ų11758.8 Ų58.863%0.62629%0.289SS*.EExtended strand (participates in β ladder)trans-76.3132.7164.7-66.9-41.7000108.8L42 E43L42-N54 CarbonylContact C-O 3.59Å; L42-N54 WeakPolarHBondContact CA-O 3.5Å; E43-N54 HydrophobicContact CB-CB 4.3Å; E43-N54 PolarHBondContact N-O 3.39Å; E43-N54 PolarHBondContact O-N 3.33Å
55V97.7Very high96.8Very high12 Ų1257.7 Ų57.77%0.07329%0.285CS..EExtended strand (participates in β ladder)trans-128.9129.6-177.3-169.80000110.7V40 V41 L42 P53 L77 I90 I94V40-V55 HydrophobicContact CG1-CG1 3.46Å; V40-V55 VanDerWaalsContact CG1-CG1 3.46Å; V41-V55 WeakPolarHBondContact O-CA 3.34Å; L42-V55 HydrophobicContact CD2-CG2 4.48Å; L42-V55 HydrophobicContact CG-CG1 4.28Å; L42-V55 HydrophobicContact CG-CG2 4.1Å; P53-V55 HydrophobicContact CG-CG2 4.16Å; V55-L77 HydrophobicContact CB-CD1 3.9Å; V55-L77 HydrophobicContact CG2-CD1 3.85Å; V55-L77 HydrophobicContact CG2-CD2 3.98Å; V55-I90 HydrophobicContact CG2-CG2 4.07Å; V55-I94 HydrophobicContact CB-CD1 4.49Å; V55-I94 HydrophobicContact CG1-CD1 3.56Å
56R97.6Very high96.8Very high88 Ų8855.5 Ų55.533%0.33227%0.269SS..EExtended strand (participates in β ladder)trans-146.1149.2176.264.9-173.4179.686.94112.2V40 V41 E43 G70V40-R56 WeakPolarHBondContact CA-O 3.26Å; V41-R56 HydrophobicContact CG1-CG 3.34Å; V41-R56 PolarHBondContact N-O 2.86Å; V41-R56 PolarHBondContact O-N 3.1Å; V41-R56 VanDerWaalsContact O-N 3.17Å; E43-R56 IonicContact OE2-NE 3.13Å; R56-G70 CarbonylContact C-O 3.45Å; R56-G70 WeakPolarHBondContact CA-O 3.39Å
57F97.7Very high96.8Very high7 Ų752.8 Ų52.83%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-71132.4168.1-74.5-86.6000110.5F38 K39 V40 S59 I61 V66 G70 V72 I94 L98F38-F57 HydrophobicContact CB-CD1 3.89Å; F38-F57 HydrophobicContact CB-CE1 3.66Å; F38-F57 HydrophobicContact CG-CE1 4.36Å; K39-F57 CarbonylContact O-C 3.42Å; K39-F57 WeakPolarHBondContact O-CA 3.36Å; V40-F57 HydrophobicContact CG2-CD1 3.62Å; V40-F57 HydrophobicContact CG2-CE1 3.57Å; V40-F57 HydrophobicContact CG2-CG 4.32Å; V40-F57 HydrophobicContact CG2-CZ 4.24Å; F57-S59 WeakPolarHBondContact CB-O 3.48Å; F57-I61 HydrophobicContact CB-CG2 4.1Å; F57-I61 HydrophobicContact CD1-CD1 3.93Å; F57-I61 HydrophobicContact CD2-CD1 4.16Å; F57-I61 HydrophobicContact CD2-CG2 3.92Å; F57-I61 HydrophobicContact CE1-CD1 3.59Å; F57-I61 HydrophobicContact CE2-CD1 3.83Å; F57-I61 HydrophobicContact CG-CB 4.43Å; F57-I61 HydrophobicContact CG-CD1 4.2Å; F57-I61 HydrophobicContact CG-CG2 3.95Å; F57-I61 HydrophobicContact CZ-CD1 3.52Å; F57-V66 HydrophobicContact CD2-CG1 3.91Å; F57-V66 HydrophobicContact CD2-CG2 4.01Å; F57-V66 HydrophobicContact CE2-CG1 4.5Å; F57-V66 HydrophobicContact CE2-CG2 3.75Å; F57-G70 PolarHBondContact N-O 3.13Å; F57-V72 HydrophobicContact CD2-CG2 3.77Å; F57-V72 HydrophobicContact CE2-CG2 3.65Å; F57-I94 HydrophobicContact CE2-CG2 4Å; F57-I94 HydrophobicContact CZ-CG2 3.58Å; F57-L98 HydrophobicContact CZ-CD2 4.49Å
58L96.4Very high96.6Very high73 Ų7353.8 Ų53.838%0.38228%0.277SS..SBendtrans-86.4-34.7166.1-61.9-178.3000110.9K39 V41K39-L58 HydrophobicContact CB-CB 3.85Å; K39-L58 HydrophobicContact CB-CD1 4.47Å; K39-L58 PolarHBondContact O-N 3.38Å; V41-L58 HydrophobicContact CB-CD1 4.2Å; V41-L58 HydrophobicContact CB-CD2 4.15Å; V41-L58 HydrophobicContact CB-CG 4.11Å; V41-L58 HydrophobicContact CG1-CD2 3.71Å; V41-L58 HydrophobicContact CG1-CG 4.08Å
59S94.8Very high96.6Very high12 Ų1254.9 Ų54.98%0.08429%0.288CS..SBendtrans-69.9147.8169.8-63.30000109.9K39 F57 I61K39-S59 PolarHBondContact N-OG 2.88Å; K39-S59 PolarHBondContact O-N 3.23Å; F57-S59 WeakPolarHBondContact CB-O 3.48Å; S59-I61 PolarHBondContact O-N 2.97Å
60K95Very high96.6Very high148 Ų14852.8 Ų52.864%0.64328%0.276SS*.  trans-59.2141.2166-71.2-179.6-179.9173.80109I129K60-I129 HydrophobicContact CB-CD1 4.04Å; K60-I129 VanDerWaalsContact O-CG2 3.29Å; K60-I129 WeakPolarHBondContact O-CG2 3.39Å
61I96.2Very high96.6Very high24 Ų2448.6 Ų48.612%0.12326%0.256CS..  trans-143.2143.3176.4-163.1164.3000111.2F33 F38 F57 S59 H63 V66 L98F33-I61 HydrophobicContact CE1-CD1 4.39Å; F33-I61 HydrophobicContact CE1-CG1 4.14Å; F38-I61 HydrophobicContact CD1-CD1 4.5Å; F57-I61 HydrophobicContact CB-CG2 4.1Å; F57-I61 HydrophobicContact CD1-CD1 3.93Å; F57-I61 HydrophobicContact CD2-CD1 4.16Å; F57-I61 HydrophobicContact CD2-CG2 3.92Å; F57-I61 HydrophobicContact CE1-CD1 3.59Å; F57-I61 HydrophobicContact CE2-CD1 3.83Å; F57-I61 HydrophobicContact CG-CB 4.43Å; F57-I61 HydrophobicContact CG-CD1 4.2Å; F57-I61 HydrophobicContact CG-CG2 3.95Å; F57-I61 HydrophobicContact CZ-CD1 3.52Å; S59-I61 PolarHBondContact O-N 2.97Å; I61-H63 HydrophobicContact CG1-CB 4.22Å; I61-V66 HydrophobicContact CG2-CB 3.8Å; I61-V66 HydrophobicContact CG2-CG1 3.34Å; I61-V66 HydrophobicContact CG2-CG2 4.12Å; I61-L98 HydrophobicContact CD1-CD2 3.71Å
62F97.2Very high96.5Very high25 Ų2544.5 Ų44.511%0.1124%0.239CC..  trans-117.390.4176.7-173.2-105.9000109.3L110 A111 L114 Y122 R125 V126 I129F62-L110 HydrophobicContact CE2-CD2 4.5Å; F62-L110 HydrophobicContact CE2-CG 4.41Å; F62-L110 HydrophobicContact CZ-CG 4.27Å; F62-A111 HydrophobicContact CD1-CB 4.22Å; F62-A111 HydrophobicContact CD2-CB 4.31Å; F62-A111 HydrophobicContact CE1-CB 3.8Å; F62-A111 HydrophobicContact CE2-CB 3.88Å; F62-A111 HydrophobicContact CG-CB 4.46Å; F62-A111 HydrophobicContact CZ-CB 3.6Å; F62-L114 HydrophobicContact CE1-CD1 4.23Å; F62-L114 HydrophobicContact CZ-CD1 3.94Å; F62-Y122 HydrophobicContact CD1-CD2 4.25Å; F62-Y122 HydrophobicContact CD1-CE2 4.18Å; F62-Y122 AromaticContact CE1-CD2 3.81Å; F62-Y122 HydrophobicContact CE1-CD2 3.81Å; F62-Y122 HydrophobicContact CE1-CE2 4.11Å; F62-R125 HydrophobicContact CD1-CB 3.81Å; F62-R125 HydrophobicContact CE1-CB 3.98Å; F62-R125 HydrophobicContact CG-CB 4.41Å; F62-V126 HydrophobicContact CD1-CG2 4.21Å; F62-I129 HydrophobicContact CB-CG1 3.87Å
63H97.4Very high96.4Very high0 Ų044.2 Ų44.20%024%0.238CC..  trans-141138.8-172.3-172.9-92.8000111.5F33 I61 N65 V66 L97 P101 N108F33-H63 AromaticContact CE2-CD2 3.93Å; F33-H63 HydrophobicContact CZ-CB 4.31Å; F33-H63 AromaticContact CZ-CD2 3.71Å; I61-H63 HydrophobicContact CG1-CB 4.22Å; H63-N65 PolarHBondContact CE1-OD1 3.26Å; H63-N65 VanDerWaalsContact CE1-OD1 3.29Å; H63-N65 PolarHBondContact ND1-N 3.46Å; H63-N65 PolarHBondContact O-N 3.22Å; H63-N65 VanDerWaalsContact O-N 3.12Å; H63-V66 HydrophobicContact CB-CB 4.12Å; H63-V66 HydrophobicContact CB-CG2 3.85Å; H63-V66 PolarHBondContact O-N 3.49Å; H63-V66 VanDerWaalsContact O-N 3.13Å; H63-L97 PolarHBondContact CE1-O 2.92Å; H63-L97 PolarHBondContact NE2-O 2.94Å; H63-P101 WeakPolarHBondContact NE2-CG 3.31Å; H63-N108 WeakPolarHBondContact O-CB 3.36Å
64P97Very high96.1Very high0 Ų045 Ų450%024%0.242CC..THydrogen-bonded Turntrans-52.9-33.7-180-30.638.2000114.6P101 P106 A107 N108 A111 A112 Y122P64-P101 HydrophobicContact CB-CB 4.29Å; P64-P101 HydrophobicContact CG-CB 3.83Å; P64-P106 CarbonylContact O-C 3.52Å; P64-P106 VanDerWaalsContact O-CA 3.27Å; P64-P106 WeakPolarHBondContact O-CA 3.22Å; P64-P106 WeakPolarHBondContact O-CB 3.44Å; P64-A107 PolarHBondContact O-N 2.89Å; P64-N108 PolarHBondContact O-N 3.09Å; P64-A111 HydrophobicContact CG-CB 4.18Å; P64-A112 HydrophobicContact CB-CB 4.1Å; P64-Y122 HydrophobicContact CG-CE2 4.4Å
65N96.6Very high95.9Very high4 Ų442.2 Ų42.22%0.02123%0.226CC..THydrogen-bonded Turntrans-102.513.8-177.2-54.2102.5000114.6H63 C73 L97 N102H63-N65 PolarHBondContact CE1-OD1 3.26Å; H63-N65 VanDerWaalsContact CE1-OD1 3.29Å; H63-N65 PolarHBondContact ND1-N 3.46Å; H63-N65 PolarHBondContact O-N 3.22Å; H63-N65 VanDerWaalsContact O-N 3.12Å; N65-C73 WeakPolarHBondContact O-CB 3.47Å; N65-C73 PolarHBondContact O-N 2.85Å; N65-L97 HydrophobicContact CB-CD1 4.15Å; N65-L97 HydrophobicContact CB-CD2 3.85Å; N65-L97 HydrophobicContact CB-CG 4.25Å; N65-N102 PolarHBondContact ND2-O 2.96Å; N65-N102 PolarHBondContact OD1-N 3.48Å; N65-N102 PolarHBondContact OD1-O 3.49Å
66V97.2Very high95.7Very high2 Ų242.2 Ų42.21%0.01223%0.226CC..BIsolated β-bridgetrans-118.9130.6175.1-175.90000110.5F57 I61 H63 V72 N108F57-V66 HydrophobicContact CD2-CG1 3.91Å; F57-V66 HydrophobicContact CD2-CG2 4.01Å; F57-V66 HydrophobicContact CE2-CG1 4.5Å; F57-V66 HydrophobicContact CE2-CG2 3.75Å; I61-V66 HydrophobicContact CG2-CB 3.8Å; I61-V66 HydrophobicContact CG2-CG1 3.34Å; I61-V66 HydrophobicContact CG2-CG2 4.12Å; H63-V66 HydrophobicContact CB-CB 4.12Å; H63-V66 HydrophobicContact CB-CG2 3.85Å; H63-V66 PolarHBondContact O-N 3.49Å; H63-V66 VanDerWaalsContact O-N 3.13Å; V66-V72 HydrophobicContact CG2-CG2 4.42Å; V66-N108 WeakPolarHBondContact O-CB 3.45Å
67Y96.2Very high95.5Very high110 Ų11039 Ų3943%0.43122%0.216SC..  trans-73.5164.4176.5-70.2-79.7000111.7D69 G70 S71 C73 A107Y67-D69 WeakPolarHBondContact CB-OD1 3.29Å; Y67-D69 PolarHBondContact O-N 2.96Å; Y67-G70 PolarHBondContact O-N 2.83Å; Y67-S71 WeakPolarHBondContact CD2-O 3.29Å; Y67-S71 PolarHBondContact N-O 3.29Å; Y67-C73 HydrophobicContact CE2-CB 4.06Å; Y67-A107 HydrophobicContact CD1-CB 3.75Å; Y67-A107 HydrophobicContact CD2-CB 3.71Å; Y67-A107 HydrophobicContact CE1-CB 3.69Å; Y67-A107 HydrophobicContact CE2-CB 3.66Å; Y67-A107 HydrophobicContact CG-CB 3.76Å
68A94.6Very high95.2Very high115 Ų11543.9 Ų43.995%0.9524%0.238SC*.THydrogen-bonded Turntrans-63.5-23.3-178.800000114G70A68-G70 VanDerWaalsContact C-N 3.29Å
69D95.4Very high95.1Very high102 Ų10246.7 Ų46.755%0.54525%0.254SS..THydrogen-bonded Turntrans-83.7-2.5174.869.3-20.5000113.3Y67 S71Y67-D69 WeakPolarHBondContact CB-OD1 3.29Å; Y67-D69 PolarHBondContact O-N 2.96Å; D69-S71 VanDerWaalsContact CG-OG 3.28Å; D69-S71 VanDerWaalsContact OD1-CB 3.28Å; D69-S71 WeakPolarHBondContact OD1-CB 3.44Å; D69-S71 PolarHBondContact OD1-N 2.78Å; D69-S71 PolarHBondContact OD1-OG 2.91Å; D69-S71 PolarHBondContact OD2-OG 2.84Å
70G96.8Very high95.1Very high6 Ų653.8 Ų53.86%0.06228%0.279CS..SBendtrans91.6-6.2-177.400000114.5R56 F57 Y67 A68R56-G70 CarbonylContact C-O 3.45Å; R56-G70 WeakPolarHBondContact CA-O 3.39Å; F57-G70 PolarHBondContact N-O 3.13Å; Y67-G70 PolarHBondContact O-N 2.83Å; A68-G70 VanDerWaalsContact C-N 3.29Å
71S96.4Very high95.2Very high38 Ų3848.6 Ų48.627%0.26626%0.255SS..BIsolated β-bridgetrans-62.4138179.2-64.50000111.1Y67 D69Y67-S71 WeakPolarHBondContact CD2-O 3.29Å; Y67-S71 PolarHBondContact N-O 3.29Å; D69-S71 VanDerWaalsContact CG-OG 3.28Å; D69-S71 VanDerWaalsContact OD1-CB 3.28Å; D69-S71 WeakPolarHBondContact OD1-CB 3.44Å; D69-S71 PolarHBondContact OD1-N 2.78Å; D69-S71 PolarHBondContact OD1-OG 2.91Å; D69-S71 PolarHBondContact OD2-OG 2.84Å
72V95.1Very high95.2Very high12 Ų1249.2 Ų49.27%0.07326%0.262CS..BIsolated β-bridgetrans-99.8126.5-175-171.70000111F57 V66 L74 L97F57-V72 HydrophobicContact CD2-CG2 3.77Å; F57-V72 HydrophobicContact CE2-CG2 3.65Å; V66-V72 HydrophobicContact CG2-CG2 4.42Å; V72-L74 HydrophobicContact CG1-CB 4.08Å; V72-L74 PolarHBondContact O-N 2.97Å; V72-L97 HydrophobicContact CG1-CD2 3.77Å
73C93.7Very high95.2Very high30 Ų3051.4 Ų51.420%0.20328%0.278CS..  trans-86.792.8170.4-169.50000109.5N65 Y67 A107N65-C73 WeakPolarHBondContact O-CB 3.47Å; N65-C73 PolarHBondContact O-N 2.85Å; Y67-C73 HydrophobicContact CE2-CB 4.06Å; C73-A107 HydrophobicContact CB-CB 4.14Å
74L92.5Very high95.1Very high21 Ų2157 Ų5711%0.1131%0.312CS..  trans-133.5130.9178.6-175.167000109.6V72 I76 L77 I94 L97V72-L74 HydrophobicContact CG1-CB 4.08Å; V72-L74 PolarHBondContact O-N 2.97Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 HydrophobicContact CD2-CD1 3.85Å; L74-I76 HydrophobicContact CD2-CG1 3.61Å; L74-I76 HydrophobicContact CG-CG1 3.88Å; L74-I76 PolarHBondContact O-N 2.61Å; L74-L77 HydrophobicContact CB-CD1 4.25Å; L74-L77 HydrophobicContact CB-CG 4.41Å; L74-L77 HydrophobicContact CD2-CD1 4.44Å; L74-L77 HydrophobicContact CD2-CG 4.41Å; L74-L77 PolarHBondContact O-N 3.2Å; L74-I94 HydrophobicContact CD2-CG1 4.15Å; L74-L97 HydrophobicContact CD1-CD2 4.31Å
75D92.1Very high95.1Very high57 Ų5760.5 Ų60.531%0.30533%0.326SS..G310 helixtrans-64.7-34.1-171.761.9-11000113.4L77 Q78 N79 R80D75-L77 PolarHBondContact O-N 3.32Å; D75-Q78 CarbonylContact O-C 3.45Å; D75-Q78 WeakPolarHBondContact O-CA 3.34Å; D75-Q78 PolarHBondContact O-N 3.3Å; D75-N79 PolarHBondContact O-N 3.33Å; D75-R80 HydrophobicContact CB-CB 4.44Å; D75-R80 HydrophobicContact CB-CG 4.2Å; D75-R80 WeakPolarHBondContact O-CB 3.48Å; D75-R80 PolarHBondContact O-N 3.06Å; D75-R80 WeakPolarHBondContact OD2-CD 3.25Å; D75-R80 IonicContact OD2-CZ 3.44Å; D75-R80 VanDerWaalsContact OD2-CZ 3.31Å; D75-R80 IonicContact OD2-NE 2.89Å; D75-R80 PolarHBondContact OD2-NE 2.93Å; D75-R80 IonicContact OD2-NH1 2.83Å; D75-R80 PolarHBondContact OD2-NH1 3.37Å
76I93.6Very high94.9Very high13 Ų1364.3 Ų64.37%0.06735%0.346CS..G310 helixtrans-64.6-24175.276.2173.9000112.2L74 W81 Y85 S93L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 HydrophobicContact CD2-CD1 3.85Å; L74-I76 HydrophobicContact CD2-CG1 3.61Å; L74-I76 HydrophobicContact CG-CG1 3.88Å; L74-I76 PolarHBondContact O-N 2.61Å; I76-W81 WeakPolarHBondContact O-CA 3.35Å; I76-W81 VanDerWaalsContact O-CB 3.31Å; I76-W81 WeakPolarHBondContact O-CB 3.28Å; I76-W81 VanDerWaalsContact O-CE3 3.31Å; I76-W81 PolarHBondContact O-N 3.28Å; I76-Y85 HydrophobicContact CB-CD2 4.36Å; I76-Y85 HydrophobicContact CB-CE2 3.94Å; I76-Y85 HydrophobicContact CG2-CE2 4.12Å; I76-S93 WeakPolarHBondContact CD1-OG 3.27Å
77L93.7Very high94.8Very high21 Ų2164.6 Ų64.611%0.1135%0.349CS..G310 helixtrans-86.43.3174.5-62.5176.4000112.4P52 V55 L74 D75 I90P52-L77 HydrophobicContact CB-CD2 4.34Å; P52-L77 WeakPolarHBondContact CG-O 3.47Å; V55-L77 HydrophobicContact CB-CD1 3.9Å; V55-L77 HydrophobicContact CG2-CD1 3.85Å; V55-L77 HydrophobicContact CG2-CD2 3.98Å; L74-L77 HydrophobicContact CB-CD1 4.25Å; L74-L77 HydrophobicContact CB-CG 4.41Å; L74-L77 HydrophobicContact CD2-CD1 4.44Å; L74-L77 HydrophobicContact CD2-CG 4.41Å; L74-L77 PolarHBondContact O-N 3.2Å; D75-L77 PolarHBondContact O-N 3.32Å; L77-I90 HydrophobicContact CD2-CD1 4.38Å; L77-I90 HydrophobicContact CD2-CG1 4.32Å; L77-I90 HydrophobicContact CD2-CG2 4.08Å
78Q92.1Very high94.7Very high108 Ų10860.3 Ų60.351%0.50534%0.336SS..THydrogen-bonded Turntrans-131.6-116.5-175.6-59.9179.620.600110.2D75 R80 W81D75-Q78 CarbonylContact O-C 3.45Å; D75-Q78 WeakPolarHBondContact O-CA 3.34Å; D75-Q78 PolarHBondContact O-N 3.3Å; Q78-R80 VanDerWaalsContact C-N 3.26Å; Q78-R80 PolarHBondContact O-N 3.03Å; Q78-W81 WeakPolarHBondContact O-CB 3.16Å; Q78-W81 PolarHBondContact O-N 3.1Å
79N92.9Very high94.7Very high133 Ų13356.1 Ų56.171%0.71130%0.302SS*.THydrogen-bonded Turntrans-74.5-10.9-173.263.7-52.6000114.2D75D75-N79 PolarHBondContact O-N 3.33Å
80R94.7Very high94.8Very high161 Ų16151.3 Ų51.361%0.60828%0.276SS*.THydrogen-bonded Turntrans-108.215.4174.5-59.3-162.9-175.6168.5-13.7113.4D75 Q78D75-R80 HydrophobicContact CB-CB 4.44Å; D75-R80 HydrophobicContact CB-CG 4.2Å; D75-R80 WeakPolarHBondContact O-CB 3.48Å; D75-R80 PolarHBondContact O-N 3.06Å; D75-R80 WeakPolarHBondContact OD2-CD 3.25Å; D75-R80 IonicContact OD2-CZ 3.44Å; D75-R80 VanDerWaalsContact OD2-CZ 3.31Å; D75-R80 IonicContact OD2-NE 2.89Å; D75-R80 PolarHBondContact OD2-NE 2.93Å; D75-R80 IonicContact OD2-NH1 2.83Å; D75-R80 PolarHBondContact OD2-NH1 3.37Å; Q78-R80 VanDerWaalsContact C-N 3.26Å; Q78-R80 PolarHBondContact O-N 3.03Å
81W97.2Very high94.8Very high39 Ų3951 Ų5115%0.14827%0.273CS..  trans-58.9139.2173.5176.8-108.7000111.5Y48 P49 N50 P52 I76 Q78 Y85 I90Y48-W81 HydrophobicContact CD2-CH2 4.44Å; Y48-W81 HydrophobicContact CD2-CZ2 4.2Å; Y48-W81 AromaticContact CE2-CH2 3.82Å; Y48-W81 HydrophobicContact CE2-CH2 3.82Å; Y48-W81 AromaticContact CE2-CZ2 3.92Å; Y48-W81 HydrophobicContact CE2-CZ2 3.92Å; P49-W81 WeakPolarHBondContact O-CZ2 3.3Å; P49-W81 PolarHBondContact O-NE1 2.73Å; N50-W81 PolarHBondContact O-NE1 3.47Å; P52-W81 HydrophobicContact CB-CB 4.42Å; P52-W81 HydrophobicContact CB-CD2 3.54Å; P52-W81 HydrophobicContact CB-CE3 3.57Å; P52-W81 HydrophobicContact CB-CG 3.93Å; P52-W81 HydrophobicContact CB-CZ3 4.08Å; P52-W81 HydrophobicContact CG-CB 4.31Å; P52-W81 HydrophobicContact CG-CD2 4.23Å; P52-W81 HydrophobicContact CG-CG 4.07Å; I76-W81 WeakPolarHBondContact O-CA 3.35Å; I76-W81 VanDerWaalsContact O-CB 3.31Å; I76-W81 WeakPolarHBondContact O-CB 3.28Å; I76-W81 VanDerWaalsContact O-CE3 3.31Å; I76-W81 PolarHBondContact O-N 3.28Å; Q78-W81 WeakPolarHBondContact O-CB 3.16Å; Q78-W81 PolarHBondContact O-N 3.1Å; W81-Y85 HydrophobicContact CE3-CD2 4.05Å; W81-Y85 WeakPolarHBondContact CH2-O 3.31Å; W81-Y85 HydrophobicContact CZ3-CD2 4.23Å; W81-Y85 HydrophobicContact CZ3-CG 4.42Å; W81-I90 HydrophobicContact CH2-CD1 4.15Å; W81-I90 HydrophobicContact CZ3-CD1 3.88Å; W81-I90 HydrophobicContact CZ3-CG1 4.24Å
82S96.9Very high94.7Very high37 Ų3751.5 Ų51.526%0.25928%0.275SS..  trans-136.8136.3173.1175.90000108.4T84 Y85S82-T84 WeakPolarHBondContact CB-OG1 3.46Å; S82-T84 PolarHBondContact O-N 3.17Å; S82-T84 PolarHBondContact OG-N 3.09Å; S82-T84 PolarHBondContact OG-OG1 3.34Å; S82-Y85 WeakPolarHBondContact O-CD2 3.36Å; S82-Y85 PolarHBondContact O-N 3.42Å
83P96.5Very high94.7Very high71 Ų7152.6 Ų52.646%0.46128%0.283SS..THydrogen-bonded Turntrans-59.5-5.7173.6-2434000115P49P49-P83 HydrophobicContact CB-CB 4.01Å; P49-P83 HydrophobicContact CG-CB 4.07Å; P49-P83 WeakPolarHBondContact O-CA 3.34Å; P49-P83 WeakPolarHBondContact O-CB 3.38Å
84T96.2Very high94.8Very high116 Ų11651.2 Ų51.271%0.71227%0.274SS*.THydrogen-bonded Turntrans-80.1-16.8173.659.30000113.5S82S82-T84 WeakPolarHBondContact CB-OG1 3.46Å; S82-T84 PolarHBondContact O-N 3.17Å; S82-T84 PolarHBondContact OG-N 3.09Å; S82-T84 PolarHBondContact OG-OG1 3.34Å
85Y96.1Very high95Very high74 Ų7451.7 Ų51.729%0.2928%0.275SS..  trans-78.7130.6175.6-65.4-57.4000110.2Y48 I76 W81 S82 A89Y48-Y85 PolarHBondContact OH-O 3.41Å; I76-Y85 HydrophobicContact CB-CD2 4.36Å; I76-Y85 HydrophobicContact CB-CE2 3.94Å; I76-Y85 HydrophobicContact CG2-CE2 4.12Å; W81-Y85 HydrophobicContact CE3-CD2 4.05Å; W81-Y85 WeakPolarHBondContact CH2-O 3.31Å; W81-Y85 HydrophobicContact CZ3-CD2 4.23Å; W81-Y85 HydrophobicContact CZ3-CG 4.42Å; S82-Y85 WeakPolarHBondContact O-CD2 3.36Å; S82-Y85 PolarHBondContact O-N 3.42Å; Y85-A89 HydrophobicContact CD1-CB 3.94Å
86D94Very high95.1Very high84 Ų8452 Ų5245%0.44928%0.282SS..  trans-105.5178.8171.766.39.3000111.2A88 A89 I90D86-A88 PolarHBondContact O-N 3.43Å; D86-A88 WeakPolarHBondContact OD1-CB 3.47Å; D86-A88 PolarHBondContact OD1-N 2.81Å; D86-A88 VanDerWaalsContact OD1-N 3.12Å; D86-A89 PolarHBondContact O-N 3.33Å; D86-A89 WeakPolarHBondContact OD1-CB 3.37Å; D86-A89 PolarHBondContact OD1-N 3.47Å; D86-I90 VanDerWaalsContact O-CG1 3.31Å; D86-I90 WeakPolarHBondContact O-CG1 3.31Å; D86-I90 PolarHBondContact O-N 2.87Å
87A94.9Very high95.1Very high9 Ų952.2 Ų52.27%0.07428%0.283CS..Hα-helixtrans-57.5-31.8178.200000112.8M1 W21 L42 F44 L91M1-A87 HydrophobicContact CE-CB 3.82Å; W21-A87 HydrophobicContact CE3-CB 4.38Å; W21-A87 HydrophobicContact CZ3-CB 4.22Å; L42-A87 HydrophobicContact CD2-CB 4.34Å; F44-A87 HydrophobicContact CZ-CB 4.36Å; A87-L91 WeakPolarHBondContact O-CB 3.42Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.21Å; A87-L91 PolarHBondContact O-N 2.73Å
88A94.3Very high95.2Very high19 Ų1951.5 Ų51.516%0.15728%0.279CS..Hα-helixtrans-71.8-44.5179.600000111.2M1 P6 D86 I90 L91 T92M1-A88 VanDerWaalsContact CE-CA 3.43Å; M1-A88 HydrophobicContact CE-CB 3.74Å; M1-A88 VanDerWaalsContact CE-N 3.32Å; M1-A88 HydrophobicContact SD-CB 4.16Å; P6-A88 HydrophobicContact CG-CB 4.41Å; D86-A88 PolarHBondContact O-N 3.43Å; D86-A88 WeakPolarHBondContact OD1-CB 3.47Å; D86-A88 PolarHBondContact OD1-N 2.81Å; D86-A88 VanDerWaalsContact OD1-N 3.12Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.81Å; A88-L91 PolarHBondContact O-N 2.82Å; A88-T92 VanDerWaalsContact O-CB 3.31Å; A88-T92 WeakPolarHBondContact O-CB 3.1Å; A88-T92 PolarHBondContact O-N 3.29Å; A88-T92 PolarHBondContact O-OG1 2.71Å
89A94.6Very high95.2Very high28 Ų2850.4 Ų50.423%0.23128%0.277CS..Hα-helixtrans-62.2-40.6175.100000111.9Y85 D86 S93Y85-A89 HydrophobicContact CD1-CB 3.94Å; D86-A89 PolarHBondContact O-N 3.33Å; D86-A89 WeakPolarHBondContact OD1-CB 3.37Å; D86-A89 PolarHBondContact OD1-N 3.47Å; A89-S93 WeakPolarHBondContact O-CB 3.31Å; A89-S93 PolarHBondContact O-N 3.17Å; A89-S93 PolarHBondContact O-OG 3.06Å
90I96.1Very high95.1Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-61.5-53.2175.9-67.4166.8000110.6L42 P53 V55 L77 W81 D86 A88 T92 S93 I94L42-I90 HydrophobicContact CD2-CG2 4.18Å; P53-I90 HydrophobicContact CG-CD1 3.53Å; V55-I90 HydrophobicContact CG2-CG2 4.07Å; L77-I90 HydrophobicContact CD2-CD1 4.38Å; L77-I90 HydrophobicContact CD2-CG1 4.32Å; L77-I90 HydrophobicContact CD2-CG2 4.08Å; W81-I90 HydrophobicContact CH2-CD1 4.15Å; W81-I90 HydrophobicContact CZ3-CD1 3.88Å; W81-I90 HydrophobicContact CZ3-CG1 4.24Å; D86-I90 VanDerWaalsContact O-CG1 3.31Å; D86-I90 WeakPolarHBondContact O-CG1 3.31Å; D86-I90 PolarHBondContact O-N 2.87Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.81Å; I90-T92 VanDerWaalsContact C-N 3.35Å; I90-T92 PolarHBondContact O-N 3.25Å; I90-S93 PolarHBondContact O-N 3.4Å; I90-I94 HydrophobicContact CG2-CD1 3.95Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 3.01Å
91L96.9Very high94.9Very high1 Ų144.1 Ų44.11%0.00525%0.251CS..Hα-helixtrans-63.9-39.2-178.6-74.2174.8000112.5M1 I9 A23 I25 V40 L42 A87 A88 S93 I94 Q95M1-L91 HydrophobicContact CE-CD1 3.81Å; I9-L91 HydrophobicContact CB-CB 4.34Å; I9-L91 HydrophobicContact CD1-CB 3.6Å; I9-L91 HydrophobicContact CG2-CB 4.34Å; A23-L91 HydrophobicContact CB-CD1 3.62Å; A23-L91 HydrophobicContact CB-CD2 3.66Å; A23-L91 HydrophobicContact CB-CG 4.29Å; I25-L91 HydrophobicContact CD1-CD2 3.85Å; I25-L91 HydrophobicContact CG1-CD2 4.01Å; V40-L91 HydrophobicContact CB-CD2 4.47Å; V40-L91 HydrophobicContact CG1-CD2 4.37Å; L42-L91 HydrophobicContact CD1-CD2 4.03Å; L42-L91 HydrophobicContact CD1-CG 4.49Å; A87-L91 WeakPolarHBondContact O-CB 3.42Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.21Å; A87-L91 PolarHBondContact O-N 2.73Å; A88-L91 PolarHBondContact O-N 2.82Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.24Å; L91-I94 PolarHBondContact O-N 3.28Å; L91-Q95 PolarHBondContact O-N 2.97Å
92T95.3Very high94.4Very high47 Ų4745.9 Ų45.929%0.28826%0.263SS..Hα-helixtrans-61.8-43.6174.7-55.10000110.6A88 I90 I94 Q95 S96A88-T92 VanDerWaalsContact O-CB 3.31Å; A88-T92 WeakPolarHBondContact O-CB 3.1Å; A88-T92 PolarHBondContact O-N 3.29Å; A88-T92 PolarHBondContact O-OG1 2.71Å; I90-T92 VanDerWaalsContact C-N 3.35Å; I90-T92 PolarHBondContact O-N 3.25Å; T92-I94 VanDerWaalsContact C-N 3.31Å; T92-I94 PolarHBondContact O-N 3.2Å; T92-Q95 WeakPolarHBondContact O-CB 3.41Å; T92-Q95 PolarHBondContact O-N 3.49Å; T92-Q95 VanDerWaalsContact O-N 3.17Å; T92-S96 PolarHBondContact O-N 3Å; T92-S96 PolarHBondContact O-OG 3.22Å
93S95.2Very high93.6Very high35 Ų3545.6 Ų45.625%0.24526%0.261CS..Hα-helixtrans-64.9-35.5178.3-56.50000112.3I76 A89 I90 L91 L97I76-S93 WeakPolarHBondContact CD1-OG 3.27Å; A89-S93 WeakPolarHBondContact O-CB 3.31Å; A89-S93 PolarHBondContact O-N 3.17Å; A89-S93 PolarHBondContact O-OG 3.06Å; I90-S93 PolarHBondContact O-N 3.4Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.24Å; S93-L97 WeakPolarHBondContact O-CB 3.45Å; S93-L97 PolarHBondContact O-N 3.41Å
94I96.1Very high92.7Very high2 Ų248.7 Ų48.71%0.0127%0.274CS..Hα-helixtrans-68.8-39.7173.7-64.9166.5000110.9I25 V55 F57 L74 I90 L91 T92 L97 L98I25-I94 HydrophobicContact CD1-CB 3.76Å; I25-I94 HydrophobicContact CD1-CG2 3.42Å; I25-I94 VanDerWaalsContact CD1-CG2 3.42Å; V55-I94 HydrophobicContact CB-CD1 4.49Å; V55-I94 HydrophobicContact CG1-CD1 3.56Å; F57-I94 HydrophobicContact CE2-CG2 4Å; F57-I94 HydrophobicContact CZ-CG2 3.58Å; L74-I94 HydrophobicContact CD2-CG1 4.15Å; I90-I94 HydrophobicContact CG2-CD1 3.95Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 3.01Å; L91-I94 PolarHBondContact O-N 3.28Å; T92-I94 VanDerWaalsContact C-N 3.31Å; T92-I94 PolarHBondContact O-N 3.2Å; I94-L97 WeakPolarHBondContact O-CB 2.98Å; I94-L97 PolarHBondContact O-N 2.88Å; I94-L98 PolarHBondContact O-N 2.83Å
95Q95.8Very high92Very high30 Ų3047.2 Ų47.214%0.1427%0.268CS..Hα-helixtrans-62.2-45.9175.2-174.9-175.450.700111.2A7 I9 I25 F26 P28 L91 T92 L97 L98A7-Q95 PolarHBondContact O-NE2 3.04Å; A7-Q95 PolarHBondContact O-OE1 3.13Å; I9-Q95 HydrophobicContact CG2-CB 4.27Å; I25-Q95 HydrophobicContact CG2-CB 3.84Å; I25-Q95 HydrophobicContact CG2-CG 3.97Å; F26-Q95 PolarHBondContact O-NE2 3.12Å; P28-Q95 HydrophobicContact CG-CG 3.89Å; L91-Q95 PolarHBondContact O-N 2.97Å; T92-Q95 WeakPolarHBondContact O-CB 3.41Å; T92-Q95 PolarHBondContact O-N 3.49Å; T92-Q95 VanDerWaalsContact O-N 3.17Å; Q95-L97 PolarHBondContact O-N 2.94Å; Q95-L98 WeakPolarHBondContact O-CB 3.22Å; Q95-L98 PolarHBondContact O-N 3.32Å; Q95-L98 VanDerWaalsContact O-N 3.1Å
96S94.2Very high91.7Very high64 Ų6445.8 Ų45.845%0.44827%0.268SS..Hα-helixtrans-60.7-33.9174.6-59.90000112.5T92 L98 D99 E100T92-S96 PolarHBondContact O-N 3Å; T92-S96 PolarHBondContact O-OG 3.22Å; S96-L98 PolarHBondContact O-N 3.48Å; S96-D99 PolarHBondContact O-N 2.96Å; S96-D99 VanDerWaalsContact O-N 3.15Å; S96-E100 PolarHBondContact O-N 2.89Å
97L94Very high91.6Very high18 Ų1842.7 Ų42.79%0.09425%0.254CS..Hα-helixtrans-63.8-27.9176.8-171.963.9000112.7H63 N65 V72 L74 S93 I94 Q95 D99 E100H63-L97 PolarHBondContact CE1-O 2.92Å; H63-L97 PolarHBondContact NE2-O 2.94Å; N65-L97 HydrophobicContact CB-CD1 4.15Å; N65-L97 HydrophobicContact CB-CD2 3.85Å; N65-L97 HydrophobicContact CB-CG 4.25Å; V72-L97 HydrophobicContact CG1-CD2 3.77Å; L74-L97 HydrophobicContact CD1-CD2 4.31Å; S93-L97 WeakPolarHBondContact O-CB 3.45Å; S93-L97 PolarHBondContact O-N 3.41Å; I94-L97 WeakPolarHBondContact O-CB 2.98Å; I94-L97 PolarHBondContact O-N 2.88Å; Q95-L97 PolarHBondContact O-N 2.94Å; L97-D99 VanDerWaalsContact C-N 3.35Å; L97-E100 CarbonylContact O-C 3.52Å
98L95Very high91.7Very high5 Ų543.9 Ų43.93%0.02626%0.259CS..Hα-helixtrans-70.4-31.8175.1-60.2-180000112.7I25 P28 F33 F38 F57 I61 I94 Q95 S96I25-L98 HydrophobicContact CG2-CD1 4.12Å; P28-L98 HydrophobicContact CG-CB 4.42Å; F33-L98 HydrophobicContact CD1-CD2 4.35Å; F33-L98 HydrophobicContact CD2-CB 4.04Å; F33-L98 WeakPolarHBondContact CD2-O 3.47Å; F33-L98 HydrophobicContact CE1-CD2 4.23Å; F33-L98 HydrophobicContact CE2-CB 4.44Å; F33-L98 HydrophobicContact CE2-CD2 4.48Å; F33-L98 WeakPolarHBondContact CE2-O 3.27Å; F33-L98 HydrophobicContact CG-CB 4.3Å; F33-L98 HydrophobicContact CZ-CD2 4.31Å; F38-L98 HydrophobicContact CD2-CD1 4.04Å; F38-L98 HydrophobicContact CE2-CD1 4.23Å; F57-L98 HydrophobicContact CZ-CD2 4.49Å; I61-L98 HydrophobicContact CD1-CD2 3.71Å; I94-L98 PolarHBondContact O-N 2.83Å; Q95-L98 WeakPolarHBondContact O-CB 3.22Å; Q95-L98 PolarHBondContact O-N 3.32Å; Q95-L98 VanDerWaalsContact O-N 3.1Å; S96-L98 PolarHBondContact O-N 3.48Å
99D92.4Very high91.7Very high86 Ų8647 Ų4746%0.4628%0.28SS..Hα-helixtrans-79.1-44.5176.8-172.918.6000111.2P28 T31 S96 L97 P101P28-D99 HydrophobicContact CB-CB 4.48Å; P28-D99 HydrophobicContact CG-CB 4.27Å; T31-D99 HydrophobicContact CG2-CB 3.98Å; T31-D99 VanDerWaalsContact CG2-OD1 3.29Å; T31-D99 WeakPolarHBondContact CG2-OD1 3.44Å; S96-D99 PolarHBondContact O-N 2.96Å; S96-D99 VanDerWaalsContact O-N 3.15Å; L97-D99 VanDerWaalsContact C-N 3.35Å; D99-P101 VanDerWaalsContact C-CD 3.48Å; D99-P101 WeakPolarHBondContact O-CD 3.37Å
100E91.6Very high91.8Very high149 Ų14949.6 Ų49.670%0.69629%0.289SS*.SBendtrans-117.778.8-178-61.7-172.7162.600112.4S96 L97S96-E100 PolarHBondContact O-N 2.89Å; L97-E100 CarbonylContact O-C 3.52Å
101P89.5Confident91.8Very high13 Ų1349.6 Ų49.68%0.08429%0.289CS..  trans-60.6142174.7-22.131.8000111.8H63 P64 D99 P103 Y115H63-P101 WeakPolarHBondContact NE2-CG 3.31Å; P64-P101 HydrophobicContact CB-CB 4.29Å; P64-P101 HydrophobicContact CG-CB 3.83Å; D99-P101 VanDerWaalsContact C-CD 3.48Å; D99-P101 WeakPolarHBondContact O-CD 3.37Å; P101-P103 WeakPolarHBondContact O-CD 3.46Å; P101-Y115 HydrophobicContact CB-CE2 4.21Å; P101-Y115 HydrophobicContact CG-CD2 4.14Å; P101-Y115 HydrophobicContact CG-CE2 3.6Å
102N87.4Confident91.8Very high75 Ų7549.7 Ų49.740%0.40129%0.29SS..  trans-100.398.4173179.80.7000110.7N65 N104N65-N102 PolarHBondContact ND2-O 2.96Å; N65-N102 PolarHBondContact OD1-N 3.48Å; N65-N102 PolarHBondContact OD1-O 3.49Å; N102-N104 VanDerWaalsContact C-N 3.27Å; N102-N104 PolarHBondContact O-N 3.13Å; N102-N104 WeakPolarHBondContact OD1-CB 3.48Å; N102-N104 PolarHBondContact OD1-N 3.02Å; N102-N104 VanDerWaalsContact OD1-N 3.09Å; N102-N104 PolarHBondContact OD1-ND2 3.05Å
103P79.3Confident91.8Very high32 Ų3252 Ų5221%0.20830%0.298CS..THydrogen-bonded Turntrans-81.5-1-176.836.5-40000113.9P101 S105 Q116P101-P103 WeakPolarHBondContact O-CD 3.46Å; P103-S105 VanDerWaalsContact C-N 3.3Å; P103-S105 PolarHBondContact O-N 2.62Å; P103-Q116 HydrophobicContact CB-CG 4.36Å; P103-Q116 VanDerWaalsContact CB-NE2 3.35Å
104N78.4Confident91.9Very high136 Ų13651.2 Ų51.273%0.72729%0.291SS*.THydrogen-bonded Turntrans-74.3-19.2-175.7-62.3-51.9000113.5N102N102-N104 VanDerWaalsContact C-N 3.27Å; N102-N104 PolarHBondContact O-N 3.13Å; N102-N104 WeakPolarHBondContact OD1-CB 3.48Å; N102-N104 PolarHBondContact OD1-N 3.02Å; N102-N104 VanDerWaalsContact OD1-N 3.09Å; N102-N104 PolarHBondContact OD1-ND2 3.05Å
105S81.2Confident91.8Very high84 Ų8454.5 Ų54.559%0.58730%0.303SS*.SBendtrans-149.873.3176.7-66.60000109.4P103P103-S105 VanDerWaalsContact C-N 3.3Å; P103-S105 PolarHBondContact O-N 2.62Å
106P88.6Confident91.8Very high45 Ų4559 Ų5929%0.29232%0.324SS..  trans-76.9135.8-170.332.1-34.5000111.5P64 N108 A112P64-P106 CarbonylContact O-C 3.52Å; P64-P106 VanDerWaalsContact O-CA 3.27Å; P64-P106 WeakPolarHBondContact O-CA 3.22Å; P64-P106 WeakPolarHBondContact O-CB 3.44Å; P106-N108 VanDerWaalsContact C-N 3.3Å; P106-A112 HydrophobicContact CB-CB 3.42Å; P106-A112 VanDerWaalsContact CB-CB 3.42Å; P106-A112 HydrophobicContact CG-CB 3.77Å
107A93.4Very high91.9Very high18 Ų1862.6 Ų62.615%0.14933%0.334CS..SBendtrans-72.9-28165.200000111.4P64 Y67 C73P64-A107 PolarHBondContact O-N 2.89Å; Y67-A107 HydrophobicContact CD1-CB 3.75Å; Y67-A107 HydrophobicContact CD2-CB 3.71Å; Y67-A107 HydrophobicContact CE1-CB 3.69Å; Y67-A107 HydrophobicContact CE2-CB 3.66Å; Y67-A107 HydrophobicContact CG-CB 3.76Å; C73-A107 HydrophobicContact CB-CB 4.14Å
108N95.7Very high92Very high34 Ų3465.3 Ų65.318%0.18235%0.349CS..  trans-12495.6177.3-176.9-20.6000110.1H63 P64 V66 P106 L110 A111 A112H63-N108 WeakPolarHBondContact O-CB 3.36Å; P64-N108 PolarHBondContact O-N 3.09Å; V66-N108 WeakPolarHBondContact O-CB 3.45Å; P106-N108 VanDerWaalsContact C-N 3.3Å; N108-L110 PolarHBondContact O-N 3.02Å; N108-L110 PolarHBondContact OD1-N 2.78Å; N108-A111 HydrophobicContact CB-CB 3.95Å; N108-A111 VanDerWaalsContact CG-CB 3.5Å; N108-A111 PolarHBondContact O-N 3.4Å; N108-A111 PolarHBondContact OD1-N 3.45Å; N108-A112 PolarHBondContact O-N 3.02Å
109S95.3Very high92Very high86 Ų8669.7 Ų69.760%0.60137%0.365SS*.Hα-helixtrans-59.5-34.1-178-490000112.9A112 Q113S109-A112 PolarHBondContact O-N 3.47Å; S109-Q113 VanDerWaalsContact O-CB 3.3Å; S109-Q113 WeakPolarHBondContact O-CB 3.44Å; S109-Q113 PolarHBondContact O-N 2.87Å
110L96Very high92.2Very high81 Ų8175.8 Ų75.842%0.42438%0.382SS..Hα-helixtrans-69.8-43.3178.7179.259.4000111.5F62 N108 A112 Q113 L114F62-L110 HydrophobicContact CE2-CD2 4.5Å; F62-L110 HydrophobicContact CE2-CG 4.41Å; F62-L110 HydrophobicContact CZ-CG 4.27Å; N108-L110 PolarHBondContact O-N 3.02Å; N108-L110 PolarHBondContact OD1-N 2.78Å; L110-A112 VanDerWaalsContact C-N 3.33Å; L110-Q113 PolarHBondContact O-N 2.78Å; L110-L114 HydrophobicContact CD1-CD1 4.13Å; L110-L114 HydrophobicContact CD1-CG 4.17Å; L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 WeakPolarHBondContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.22Å
111A96.8Very high92.5Very high0 Ų071.2 Ų71.20%036%0.36CS..Hα-helixtrans-62.6-42.6174.700000111.1F62 P64 N108 Y115 Y122F62-A111 HydrophobicContact CD1-CB 4.22Å; F62-A111 HydrophobicContact CD2-CB 4.31Å; F62-A111 HydrophobicContact CE1-CB 3.8Å; F62-A111 HydrophobicContact CE2-CB 3.88Å; F62-A111 HydrophobicContact CG-CB 4.46Å; F62-A111 HydrophobicContact CZ-CB 3.6Å; P64-A111 HydrophobicContact CG-CB 4.18Å; N108-A111 HydrophobicContact CB-CB 3.95Å; N108-A111 VanDerWaalsContact CG-CB 3.5Å; N108-A111 PolarHBondContact O-N 3.4Å; N108-A111 PolarHBondContact OD1-N 3.45Å; A111-Y115 WeakPolarHBondContact O-CB 3.41Å; A111-Y115 PolarHBondContact O-N 3.27Å; A111-Y122 HydrophobicContact CB-CE2 4.34Å; A111-Y122 WeakPolarHBondContact O-CD2 3.28Å
112A96.1Very high92.9Very high4 Ų470.7 Ų70.73%0.03336%0.356CS..Hα-helixtrans-64.4-44.6177.100000112.8P64 P106 N108 S109 L110 Y115 Q116P64-A112 HydrophobicContact CB-CB 4.1Å; P106-A112 HydrophobicContact CB-CB 3.42Å; P106-A112 VanDerWaalsContact CB-CB 3.42Å; P106-A112 HydrophobicContact CG-CB 3.77Å; N108-A112 PolarHBondContact O-N 3.02Å; S109-A112 PolarHBondContact O-N 3.47Å; L110-A112 VanDerWaalsContact C-N 3.33Å; A112-Y115 WeakPolarHBondContact O-CB 3.42Å; A112-Y115 PolarHBondContact O-N 3.31Å; A112-Q116 WeakPolarHBondContact O-CG 3.09Å; A112-Q116 PolarHBondContact O-N 3.12Å
113Q96Very high93.4Very high95 Ų9569.4 Ų69.444%0.44435%0.35SS..Hα-helixtrans-61.4-49.1176.8-174.5-172.6-800111S109 L110 Y115 Q116 E117S109-Q113 VanDerWaalsContact O-CB 3.3Å; S109-Q113 WeakPolarHBondContact O-CB 3.44Å; S109-Q113 PolarHBondContact O-N 2.87Å; L110-Q113 PolarHBondContact O-N 2.78Å; Q113-Y115 VanDerWaalsContact C-N 3.32Å; Q113-Y115 PolarHBondContact O-N 2.99Å; Q113-Q116 PolarHBondContact O-N 3.21Å; Q113-E117 HydrophobicContact CG-CG 4.27Å; Q113-E117 VanDerWaalsContact CG-OE2 3.26Å; Q113-E117 WeakPolarHBondContact CG-OE2 3.5Å; Q113-E117 PolarHBondContact NE2-OE2 2.98Å; Q113-E117 WeakPolarHBondContact O-CB 3.31Å; Q113-E117 PolarHBondContact O-N 2.85Å
114L96.7Very high94.3Very high19 Ų1974.9 Ų74.910%0.09937%0.37CS..Hα-helixtrans-64.4-37.9178.3-67.8177.6000111.7F62 L110 Q116 N118 R119 E121 Y122F62-L114 HydrophobicContact CE1-CD1 4.23Å; F62-L114 HydrophobicContact CZ-CD1 3.94Å; L110-L114 HydrophobicContact CD1-CD1 4.13Å; L110-L114 HydrophobicContact CD1-CG 4.17Å; L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 WeakPolarHBondContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.22Å; L114-Q116 VanDerWaalsContact C-N 3.29Å; L114-Q116 PolarHBondContact O-N 3.04Å; L114-N118 HydrophobicContact CD2-CB 4.1Å; L114-N118 CarbonylContact O-C 3.42Å; L114-N118 WeakPolarHBondContact O-CA 3.49Å; L114-N118 PolarHBondContact O-N 3.21Å; L114-R119 PolarHBondContact O-N 2.92Å; L114-E121 HydrophobicContact CD1-CG 4.07Å; L114-E121 HydrophobicContact CD2-CB 4.28Å; L114-E121 HydrophobicContact CD2-CG 3.94Å; L114-Y122 HydrophobicContact CB-CD2 4.38Å
115Y95.4Very high95.2Very high70 Ų7072.6 Ų72.628%0.27535%0.352SS..Hα-helixtrans-58.5-41.3175.4-177.1-89.3000111.9P101 A111 A112 Q113 Y122P101-Y115 HydrophobicContact CB-CE2 4.21Å; P101-Y115 HydrophobicContact CG-CD2 4.14Å; P101-Y115 HydrophobicContact CG-CE2 3.6Å; A111-Y115 WeakPolarHBondContact O-CB 3.41Å; A111-Y115 PolarHBondContact O-N 3.27Å; A112-Y115 WeakPolarHBondContact O-CB 3.42Å; A112-Y115 PolarHBondContact O-N 3.31Å; Q113-Y115 VanDerWaalsContact C-N 3.32Å; Q113-Y115 PolarHBondContact O-N 2.99Å; Y115-Y122 HydrophobicContact CD2-CD1 4.18Å; Y115-Y122 HydrophobicContact CD2-CD2 4.48Å; Y115-Y122 AromaticContact CD2-CE1 3.86Å; Y115-Y122 HydrophobicContact CD2-CE1 3.86Å; Y115-Y122 HydrophobicContact CD2-CE2 4.19Å; Y115-Y122 HydrophobicContact CD2-CG 4.49Å; Y115-Y122 AromaticContact CD2-CZ 3.86Å
116Q94.1Very high95.9Very high124 Ų12468.6 Ų68.658%0.57932%0.324SS*.Hα-helixtrans-82.5-41.9-178.9-69.6179.8-15.100113.9P103 A112 Q113 L114P103-Q116 HydrophobicContact CB-CG 4.36Å; P103-Q116 VanDerWaalsContact CB-NE2 3.35Å; A112-Q116 WeakPolarHBondContact O-CG 3.09Å; A112-Q116 PolarHBondContact O-N 3.12Å; Q113-Q116 PolarHBondContact O-N 3.21Å; L114-Q116 VanDerWaalsContact C-N 3.29Å; L114-Q116 PolarHBondContact O-N 3.04Å
117E96Very high96.3Very high141 Ų14170.4 Ų70.466%0.65933%0.328SS*.Hα-helixtrans-103.9-25.8-167.8-60.6-178.717200113.5Q113Q113-E117 HydrophobicContact CG-CG 4.27Å; Q113-E117 VanDerWaalsContact CG-OE2 3.26Å; Q113-E117 WeakPolarHBondContact CG-OE2 3.5Å; Q113-E117 PolarHBondContact NE2-OE2 2.98Å; Q113-E117 WeakPolarHBondContact O-CB 3.31Å; Q113-E117 PolarHBondContact O-N 2.85Å
118N96.5Very high96.4Very high74 Ų7473.2 Ų73.240%0.39634%0.341SS..  trans-148.568.8-174.6-169.7-10.3000111.8L114 R120 E121 Y122L114-N118 HydrophobicContact CD2-CB 4.1Å; L114-N118 CarbonylContact O-C 3.42Å; L114-N118 WeakPolarHBondContact O-CA 3.49Å; L114-N118 PolarHBondContact O-N 3.21Å; N118-R120 PolarHBondContact O-N 3.33Å; N118-R120 VanDerWaalsContact O-N 3.12Å; N118-E121 HydrophobicContact CB-CB 4.31Å; N118-E121 VanDerWaalsContact CG-CB 3.48Å; N118-E121 WeakPolarHBondContact ND2-CB 3.38Å; N118-E121 PolarHBondContact O-N 2.94Å; N118-E121 PolarHBondContact OD1-N 2.82Å; N118-E121 VanDerWaalsContact OD1-N 3.16Å; N118-Y122 PolarHBondContact O-N 3.07Å
119R95.9Very high96.5Very high97 Ų9772.6 Ų72.637%0.36634%0.337SS..Hα-helixtrans-52-37.6-178.4-176.456.2175.4-172.1-6.6113L114 E121 Y122 D123L114-R119 PolarHBondContact O-N 2.92Å; R119-E121 PolarHBondContact O-N 2.91Å; R119-Y122 WeakPolarHBondContact O-CB 3.37Å; R119-Y122 PolarHBondContact O-N 2.85Å; R119-D123 WeakPolarHBondContact CD-OD1 3.41Å; R119-D123 IonicContact CZ-OD1 3.19Å; R119-D123 IonicContact NE-OD1 2.74Å; R119-D123 PolarHBondContact NE-OD1 2.9Å; R119-D123 IonicContact NE-OD2 2.76Å; R119-D123 IonicContact NH1-OD1 3.65Å; R119-D123 IonicContact NH2-OD1 3.74Å; R119-D123 WeakPolarHBondContact O-CB 3.38Å; R119-D123 PolarHBondContact O-N 2.79Å
120R97.2Very high96.5Very high215 Ų21568.6 Ų68.681%0.81131%0.309SS*.Hα-helixtrans-61.4-44.6178.1-177.2178.5179.1168.61.6113N118 K124N118-R120 PolarHBondContact O-N 3.33Å; N118-R120 VanDerWaalsContact O-N 3.12Å; R120-K124 WeakPolarHBondContact O-CB 3.5Å; R120-K124 PolarHBondContact O-N 2.99Å; R120-K124 VanDerWaalsContact O-N 3.11Å
121E97.9Very high96.5Very high53 Ų5369.5 Ų69.525%0.24831%0.311CS..Hα-helixtrans-73.5-34.7177.6177.361.2-166.500111.4L114 N118 R119 R125L114-E121 HydrophobicContact CD1-CG 4.07Å; L114-E121 HydrophobicContact CD2-CB 4.28Å; L114-E121 HydrophobicContact CD2-CG 3.94Å; N118-E121 HydrophobicContact CB-CB 4.31Å; N118-E121 VanDerWaalsContact CG-CB 3.48Å; N118-E121 WeakPolarHBondContact ND2-CB 3.38Å; N118-E121 PolarHBondContact O-N 2.94Å; N118-E121 PolarHBondContact OD1-N 2.82Å; N118-E121 VanDerWaalsContact OD1-N 3.16Å; R119-E121 PolarHBondContact O-N 2.91Å; E121-R125 WeakPolarHBondContact O-CG 3.45Å; E121-R125 PolarHBondContact O-N 3.31Å; E121-R125 VanDerWaalsContact O-N 3.12Å; E121-R125 IonicContact OE1-CZ 3.53Å; E121-R125 IonicContact OE1-NE 2.92Å; E121-R125 PolarHBondContact OE1-NE 2.97Å; E121-R125 IonicContact OE1-NH2 3.91Å; E121-R125 PolarHBondContact OE1-NH2 2.88Å; E121-R125 VanDerWaalsContact OE1-NH2 3.13Å
122Y97.5Very high96.4Very high1 Ų172.5 Ų72.50%0.00433%0.325CS..Hα-helixtrans-57.2-54.8170.7176.4-92000110.9P32 F33 F62 P64 A111 L114 Y115 N118 R119 K124 R125 V126P32-Y122 HydrophobicContact CG-CE1 4.35Å; F33-Y122 WeakPolarHBondContact CE2-OH 3.08Å; F62-Y122 HydrophobicContact CD1-CD2 4.25Å; F62-Y122 HydrophobicContact CD1-CE2 4.18Å; F62-Y122 AromaticContact CE1-CD2 3.81Å; F62-Y122 HydrophobicContact CE1-CD2 3.81Å; F62-Y122 HydrophobicContact CE1-CE2 4.11Å; P64-Y122 HydrophobicContact CG-CE2 4.4Å; A111-Y122 HydrophobicContact CB-CE2 4.34Å; A111-Y122 WeakPolarHBondContact O-CD2 3.28Å; L114-Y122 HydrophobicContact CB-CD2 4.38Å; Y115-Y122 HydrophobicContact CD2-CD1 4.18Å; Y115-Y122 HydrophobicContact CD2-CD2 4.48Å; Y115-Y122 AromaticContact CD2-CE1 3.86Å; Y115-Y122 HydrophobicContact CD2-CE1 3.86Å; Y115-Y122 HydrophobicContact CD2-CE2 4.19Å; Y115-Y122 HydrophobicContact CD2-CG 4.49Å; Y115-Y122 AromaticContact CD2-CZ 3.86Å; N118-Y122 PolarHBondContact O-N 3.07Å; R119-Y122 WeakPolarHBondContact O-CB 3.37Å; R119-Y122 PolarHBondContact O-N 2.85Å; Y122-K124 VanDerWaalsContact C-N 3.31Å; Y122-K124 PolarHBondContact O-N 3.31Å; Y122-R125 WeakPolarHBondContact O-CB 3.31Å; Y122-R125 PolarHBondContact O-N 2.95Å; Y122-V126 HydrophobicContact CD1-CG2 4.05Å; Y122-V126 HydrophobicContact CE1-CG2 3.57Å; Y122-V126 HydrophobicContact CE2-CG2 4.08Å; Y122-V126 HydrophobicContact CG-CG2 4.5Å; Y122-V126 WeakPolarHBondContact O-CG2 3.37Å; Y122-V126 PolarHBondContact O-N 3.37Å
123D97.1Very high96.3Very high49 Ų4972.6 Ų72.626%0.26233%0.325SS..Hα-helixtrans-59.5-43-178.1-65.7-13.4000110.9P32 R119 R125 V126 Q127P32-D123 HydrophobicContact CB-CB 4.49Å; P32-D123 WeakPolarHBondContact CG-OD1 3.37Å; R119-D123 WeakPolarHBondContact CD-OD1 3.41Å; R119-D123 IonicContact CZ-OD1 3.19Å; R119-D123 IonicContact NE-OD1 2.74Å; R119-D123 PolarHBondContact NE-OD1 2.9Å; R119-D123 IonicContact NE-OD2 2.76Å; R119-D123 IonicContact NH1-OD1 3.65Å; R119-D123 IonicContact NH2-OD1 3.74Å; R119-D123 WeakPolarHBondContact O-CB 3.38Å; R119-D123 PolarHBondContact O-N 2.79Å; D123-R125 VanDerWaalsContact C-N 3.29Å; D123-R125 PolarHBondContact O-N 3.31Å; D123-V126 PolarHBondContact O-N 2.74Å; D123-Q127 WeakPolarHBondContact O-CB 3.39Å; D123-Q127 WeakPolarHBondContact O-CG 3.5Å; D123-Q127 PolarHBondContact O-N 3.37Å
124K97.6Very high96Very high146 Ų14674.6 Ų74.664%0.63533%0.329SS*.Hα-helixtrans-57.7-40.3175.6-176-177175.7-170.60112.7R120 Y122 N128R120-K124 WeakPolarHBondContact O-CB 3.5Å; R120-K124 PolarHBondContact O-N 2.99Å; R120-K124 VanDerWaalsContact O-N 3.11Å; Y122-K124 VanDerWaalsContact C-N 3.31Å; Y122-K124 PolarHBondContact O-N 3.31Å; K124-N128 PolarHBondContact O-N 2.79Å
125R97.6Very high95Very high89 Ų8979.3 Ų79.334%0.33636%0.358SS..Hα-helixtrans-71.6-41177.9-71.6-179.4-173.5-148.22.6111.9F62 E121 Y122 D123 Q127 N128 I129F62-R125 HydrophobicContact CD1-CB 3.81Å; F62-R125 HydrophobicContact CE1-CB 3.98Å; F62-R125 HydrophobicContact CG-CB 4.41Å; E121-R125 WeakPolarHBondContact O-CG 3.45Å; E121-R125 PolarHBondContact O-N 3.31Å; E121-R125 VanDerWaalsContact O-N 3.12Å; E121-R125 IonicContact OE1-CZ 3.53Å; E121-R125 IonicContact OE1-NE 2.92Å; E121-R125 PolarHBondContact OE1-NE 2.97Å; E121-R125 IonicContact OE1-NH2 3.91Å; E121-R125 PolarHBondContact OE1-NH2 2.88Å; E121-R125 VanDerWaalsContact OE1-NH2 3.13Å; Y122-R125 WeakPolarHBondContact O-CB 3.31Å; Y122-R125 PolarHBondContact O-N 2.95Å; D123-R125 VanDerWaalsContact C-N 3.29Å; D123-R125 PolarHBondContact O-N 3.31Å; R125-Q127 VanDerWaalsContact C-N 3.32Å; R125-N128 PolarHBondContact O-N 3.24Å; R125-I129 WeakPolarHBondContact O-CG1 3.31Å; R125-I129 PolarHBondContact O-N 2.89Å
126V97.4Very high93.4Very high0 Ų081.7 Ų81.70%037%0.372CS..Hα-helixtrans-63-42175.9-1800000110.6P32 F33 F62 Y122 D123 N128 I129 V130P32-V126 HydrophobicContact CB-CB 3.97Å; P32-V126 HydrophobicContact CB-CG1 3.85Å; P32-V126 HydrophobicContact CB-CG2 4.48Å; P32-V126 VanDerWaalsContact O-CG1 3.27Å; P32-V126 WeakPolarHBondContact O-CG1 3.46Å; F33-V126 HydrophobicContact CB-CG1 4.49Å; F33-V126 HydrophobicContact CD1-CG1 3.41Å; F33-V126 VanDerWaalsContact CD1-CG1 3.41Å; F33-V126 HydrophobicContact CD2-CG1 4.02Å; F33-V126 HydrophobicContact CE1-CG1 3.41Å; F33-V126 VanDerWaalsContact CE1-CG1 3.41Å; F33-V126 HydrophobicContact CE1-CG2 4.29Å; F33-V126 HydrophobicContact CE2-CG1 4.01Å; F33-V126 HydrophobicContact CE2-CG2 4.41Å; F33-V126 HydrophobicContact CG-CG1 3.72Å; F33-V126 HydrophobicContact CZ-CG1 3.7Å; F33-V126 HydrophobicContact CZ-CG2 3.94Å; F62-V126 HydrophobicContact CD1-CG2 4.21Å; Y122-V126 HydrophobicContact CD1-CG2 4.05Å; Y122-V126 HydrophobicContact CE1-CG2 3.57Å; Y122-V126 HydrophobicContact CE2-CG2 4.08Å; Y122-V126 HydrophobicContact CG-CG2 4.5Å; Y122-V126 WeakPolarHBondContact O-CG2 3.37Å; Y122-V126 PolarHBondContact O-N 3.37Å; D123-V126 PolarHBondContact O-N 2.74Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 2.96Å; V126-I129 CarbonylContact O-C 3.58Å; V126-I129 WeakPolarHBondContact O-CA 3.43Å; V126-I129 VanDerWaalsContact O-CB 3.29Å; V126-I129 WeakPolarHBondContact O-CB 3.5Å; V126-I129 PolarHBondContact O-N 3.41Å; V126-V130 HydrophobicContact CG1-CG2 4.43Å; V126-V130 PolarHBondContact O-N 2.84Å
127Q96.1Very high91.6Very high83 Ų8380.7 Ų80.739%0.38837%0.365SS..Hα-helixtrans-60.4-39.2176.8-72.9-70.1-44.100112.6P32 D123 R125 I129 V130 E131P32-Q127 PolarHBondContact O-NE2 2.85Å; D123-Q127 WeakPolarHBondContact O-CB 3.39Å; D123-Q127 WeakPolarHBondContact O-CG 3.5Å; D123-Q127 PolarHBondContact O-N 3.37Å; R125-Q127 VanDerWaalsContact C-N 3.32Å; Q127-I129 VanDerWaalsContact C-N 3.27Å; Q127-I129 PolarHBondContact O-N 3.29Å; Q127-V130 WeakPolarHBondContact O-CB 3.36Å; Q127-V130 PolarHBondContact O-N 3.06Å; Q127-E131 WeakPolarHBondContact O-CG 3.5Å; Q127-E131 PolarHBondContact O-N 3.43Å
128N96.6Very high89.4Confident77 Ų7779 Ų7941%0.41237%0.367SS..Hα-helixtrans-63.3-34.8173-170.1-91.5000112.6K124 R125 V126 Q132K124-N128 PolarHBondContact O-N 2.79Å; R125-N128 PolarHBondContact O-N 3.24Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 2.96Å; N128-Q132 VanDerWaalsContact O-CG 3.28Å; N128-Q132 WeakPolarHBondContact O-CG 3.37Å; N128-Q132 PolarHBondContact O-N 2.83Å; N128-Q132 VanDerWaalsContact O-N 3.1Å; N128-Q132 PolarHBondContact OD1-NE2 2.82Å
129I96.3Very high86.9Confident20 Ų2084.1 Ų84.110%0.10339%0.388CS..Hα-helixtrans-70.2-39.4175-68.6-59.9000111.5F38 K60 F62 R125 V126 Q127 Q132 S133F38-I129 HydrophobicContact CE1-CG2 3.95Å; K60-I129 HydrophobicContact CB-CD1 4.04Å; K60-I129 VanDerWaalsContact O-CG2 3.29Å; K60-I129 WeakPolarHBondContact O-CG2 3.39Å; F62-I129 HydrophobicContact CB-CG1 3.87Å; R125-I129 WeakPolarHBondContact O-CG1 3.31Å; R125-I129 PolarHBondContact O-N 2.89Å; V126-I129 CarbonylContact O-C 3.58Å; V126-I129 WeakPolarHBondContact O-CA 3.43Å; V126-I129 VanDerWaalsContact O-CB 3.29Å; V126-I129 WeakPolarHBondContact O-CB 3.5Å; V126-I129 PolarHBondContact O-N 3.41Å; Q127-I129 VanDerWaalsContact C-N 3.27Å; Q127-I129 PolarHBondContact O-N 3.29Å; I129-Q132 PolarHBondContact O-N 3.17Å; I129-S133 PolarHBondContact O-N 3.34Å
130V96.5Very high84.4Confident2 Ų284.7 Ų84.71%0.01241%0.407CS..Hα-helixtrans-57.2-50.2173165.60000110.1E34 F38 V126 Q127 Q132 S133 W134E34-V130 WeakPolarHBondContact O-CG1 3.19Å; F38-V130 HydrophobicContact CZ-CG2 4.2Å; V126-V130 HydrophobicContact CG1-CG2 4.43Å; V126-V130 PolarHBondContact O-N 2.84Å; Q127-V130 WeakPolarHBondContact O-CB 3.36Å; Q127-V130 PolarHBondContact O-N 3.06Å; V130-Q132 VanDerWaalsContact C-N 3.34Å; V130-Q132 PolarHBondContact O-N 2.91Å; V130-S133 VanDerWaalsContact O-CB 3.25Å; V130-S133 WeakPolarHBondContact O-CB 3.24Å; V130-S133 PolarHBondContact O-N 3.33Å; V130-S133 PolarHBondContact O-OG 2.86Å; V130-W134 HydrophobicContact CG1-CZ2 3.83Å
131E95.3Very high81.5Confident100 Ų10083 Ų8347%0.46741%0.409SS..Hα-helixtrans-59-42.5176.7-69.6172.8175.800112.3Q127 S133 W134Q127-E131 WeakPolarHBondContact O-CG 3.5Å; Q127-E131 PolarHBondContact O-N 3.43Å; E131-S133 PolarHBondContact O-N 3.01Å; E131-W134 HydrophobicContact CB-CZ3 4.47Å; E131-W134 HydrophobicContact CG-CH2 4.36Å; E131-W134 HydrophobicContact CG-CZ3 4.13Å; E131-W134 PolarHBondContact O-N 3.47Å
132Q94.2Very high78.8Confident64 Ų6486.1 Ų86.130%0.29943%0.433SS..Hα-helixtrans-64.5-26.9177.5-75.1178.32900113N128 I129 V130 W134 V135N128-Q132 VanDerWaalsContact O-CG 3.28Å; N128-Q132 WeakPolarHBondContact O-CG 3.37Å; N128-Q132 PolarHBondContact O-N 2.83Å; N128-Q132 VanDerWaalsContact O-N 3.1Å; N128-Q132 PolarHBondContact OD1-NE2 2.82Å; I129-Q132 PolarHBondContact O-N 3.17Å; V130-Q132 VanDerWaalsContact C-N 3.34Å; V130-Q132 PolarHBondContact O-N 2.91Å; Q132-W134 PolarHBondContact O-N 3.02Å; Q132-V135 PolarHBondContact O-N 2.89Å
133S93.9Very high76Confident5 Ų592.1 Ų92.14%0.03548%0.475CS..Hα-helixtrans-65.9-26.1-178.884.30000112.6T37 I129 V130 E131T37-S133 PolarHBondContact N-OG 3.39Å; T37-S133 WeakPolarHBondContact O-CB 3.3Å; I129-S133 PolarHBondContact O-N 3.34Å; V130-S133 VanDerWaalsContact O-CB 3.25Å; V130-S133 WeakPolarHBondContact O-CB 3.24Å; V130-S133 PolarHBondContact O-N 3.33Å; V130-S133 PolarHBondContact O-OG 2.86Å; E131-S133 PolarHBondContact O-N 3.01Å
134W89.5Confident73.3Confident138 Ų13893.5 Ų93.552%0.52350%0.501SS..Hα-helixtrans-76.9-28-178.9-53.3-26.5000113.8D35 V130 E131 Q132 H136 F137D35-W134 HydrophobicContact CB-CZ2 4.25Å; D35-W134 PolarHBondContact O-NE1 2.78Å; V130-W134 HydrophobicContact CG1-CZ2 3.83Å; E131-W134 HydrophobicContact CB-CZ3 4.47Å; E131-W134 HydrophobicContact CG-CH2 4.36Å; E131-W134 HydrophobicContact CG-CZ3 4.13Å; E131-W134 PolarHBondContact O-N 3.47Å; Q132-W134 PolarHBondContact O-N 3.02Å; W134-H136 VanDerWaalsContact C-N 3.32Å; W134-H136 PolarHBondContact O-N 2.77Å; W134-F137 WeakPolarHBondContact O-CD2 3.29Å
135V75.7Confident70.7Confident117 Ų11791.1 Ų91.171%0.70951%0.508SS*.Hα-helixtrans-78.1-21.2-172.7-174.50000111.9Q132 F137Q132-V135 PolarHBondContact O-N 2.89Å; V135-F137 PolarHBondContact O-N 3.09Å
136H63.2Low68Low121 Ų12198.9 Ų98.956%0.5654%0.538SS*.THydrogen-bonded Turntrans-96.323-170.1-78-59.2000115.2K39 W134 P138K39-H136 VanDerWaalsContact CE-O 3.27Å; K39-H136 WeakPolarHBondContact CE-O 3.35Å; K39-H136 PolarHBondContact NZ-O 2.94Å; W134-H136 VanDerWaalsContact C-N 3.32Å; W134-H136 PolarHBondContact O-N 2.77Å; H136-P138 WeakPolarHBondContact O-CD 2.89Å
137F56.8Low65.5Low102 Ų102107.2 Ų107.245%0.44757%0.574SS.*  trans-80.1103.5162.7-67.2-86.1000108.9L24 T37 W134 V135 E139L24-F137 HydrophobicContact CD1-CE1 4.35Å; T37-F137 HydrophobicContact CG2-CE1 4.21Å; T37-F137 HydrophobicContact CG2-CE2 4.38Å; T37-F137 HydrophobicContact CG2-CZ 3.48Å; T37-F137 VanDerWaalsContact CG2-CZ 3.48Å; W134-F137 WeakPolarHBondContact O-CD2 3.29Å; V135-F137 PolarHBondContact O-N 3.09Å; F137-E139 PolarHBondContact O-N 3.08Å
138P48.5Very low63.1Low106 Ų106108.1 Ų108.169%0.68859%0.587SS**  trans-62.411415828.2-28.9000105K39 H136 S140K39-P138 VanDerWaalsContact NZ-CD 3.26Å; H136-P138 WeakPolarHBondContact O-CD 2.89Å; P138-S140 PolarHBondContact O-N 2.98Å; P138-S140 VanDerWaalsContact O-N 3.13Å
139E45.1Very low60.8Low181 Ų181110.7 Ų110.785%0.84661%0.608SS**  trans-42.7123.7161.9-111.4164.9159.100107.1F137 Q141F137-E139 PolarHBondContact O-N 3.08Å; E139-Q141 PolarHBondContact O-N 3.12Å
140S43.4Very low58.4Low109 Ų109117.7 Ų117.776%0.76264%0.641SS**  trans-45.4109.2166.447.10000107.6P138P138-S140 PolarHBondContact O-N 2.98Å; P138-S140 VanDerWaalsContact O-N 3.13Å
141Q34.7Very low56Low181 Ų181121.1 Ų121.185%0.84667%0.669SS**  trans-57.2127.8169.9-75.5-16626.900106.7E139 S143E139-Q141 PolarHBondContact O-N 3.12Å; Q141-S143 PolarHBondContact O-N 3.01Å
142P41.5Very low53.4Low118 Ų118125.8 Ų125.877%0.76669%0.691SS**  trans-63.8116.8176.624.6-29.2000107.7G144P142-G144 PolarHBondContact O-N 3Å
143S40.2Very low51.1Low126 Ų126130.8 Ų130.888%0.88171%0.714SS**SBendtrans-54.5109.9167.359.20000108.5Q141Q141-S143 PolarHBondContact O-N 3.01Å
144G39.1Very low48.6Very low78 Ų78139.7 Ų139.780%0.80476%0.755SS**  trans138.435.4168.800000118.5P142P142-G144 PolarHBondContact O-N 3Å
145A44.2Very low46.2Very low96 Ų96142.8 Ų142.879%0.79378%0.775SS**  trans-113.285.5157.400000109.3K147A145-K147 PolarHBondContact O-N 3.31Å; A145-K147 VanDerWaalsContact O-N 3.07Å
146R39.2Very low44.6Very low252 Ų252146 Ų14695%0.95178%0.783SS**  trans-57.7109.4162.2-81.2178.3173.5172.3-2.3107.7
147K46Very low43.5Very low175 Ų175149.5 Ų149.576%0.76180%0.799SS**  trans-81.4133.9155.7-101.6-173.2171.1-163.20108.2A145A145-K147 PolarHBondContact O-N 3.31Å; A145-K147 VanDerWaalsContact O-N 3.07Å
148P46.1Very low42.7Very low102 Ų102154 Ų15466%0.66282%0.822SS**  trans-62.2157.4172.3-10.825.8000110E150P148-E150 PolarHBondContact O-N 2.76Å
149P46.7Very low42.3Very low132 Ų132158.4 Ų158.486%0.85783%0.833SS**  trans-66.8107.4172.428.8-28.9000107.7
150E47.5Very low42.4Very low167 Ų167154.3 Ų154.378%0.7883%0.83SS**  trans-74.7134.6164.2-83.4172.9157.500108P148P148-E150 PolarHBondContact O-N 2.76Å
151A45.7Very low42.5Very low74 Ų74156.9 Ų156.961%0.61284%0.835SS**  trans-64.6138.1-163.400000112.8E153A151-E153 VanDerWaalsContact C-N 3.34Å; A151-E153 HydrophobicContact CB-CG 4.15Å; A151-E153 PolarHBondContact O-N 2.74Å; A151-E153 VanDerWaalsContact O-N 3.12Å
152E39.4Very low43.3Very low198 Ų198157.3 Ų157.393%0.92584%0.837SS**  trans-67.794156.8-65.3172.9171.200107.1
153E46.3Very low43.6Very low168 Ų168160.1 Ų160.179%0.78584%0.84SS**  trans-121.990.1169-78.6-178.5-174.100108.4A151A151-E153 VanDerWaalsContact C-N 3.34Å; A151-E153 HydrophobicContact CB-CG 4.15Å; A151-E153 PolarHBondContact O-N 2.74Å; A151-E153 VanDerWaalsContact O-N 3.12Å
154E41.2Very low44.1Very low193 Ų193159.7 Ų159.790%0.90284%0.837SS**  trans30.196138.3-62.4175.9171.900117.6
155E40.7Very low44.5Very low202 Ų202162.5 Ų162.594%0.94484%0.839SS**  trans-9781.7155.7-74.3-176.3169.400109.1
156E41.8Very low45.1Very low186 Ų186163.8 Ų163.887%0.86984%0.842SS**  trans-123.266162.4-81.2-168.3167.600109.3
157E38.6Very low45.7Very low194 Ų194161.4 Ų161.491%0.90783%0.833SS**  trans-142.766.1170.9-75.6-163.415800112.3
158E40.6Very low45.8Very low195 Ų195158.7 Ų158.791%0.91183%0.833SS**SBendtrans-139.137.6165.6-89.8-161.315600112.9
159E40.4Very low46.3Very low200 Ų200161.2 Ų161.294%0.93584%0.836SS**SBendtrans-156.150174.5-118.8176.6-156.900114.3
160A47.3Very low46.7Very low94 Ų94161.9 Ų161.978%0.77783%0.833SS**  trans-144.9-7.7172.600000116.8Q162A160-Q162 VanDerWaalsContact C-N 3.27Å; A160-Q162 PolarHBondContact O-N 3.1Å; A160-Q162 VanDerWaalsContact O-N 3.1Å
161N45.1Very low47.1Very low164 Ų164160.8 Ų160.888%0.87783%0.832SS**  trans-91.144.2-175.2-155.221.2000114
162Q51.6Low47.5Very low189 Ų189162.2 Ų162.288%0.88383%0.833SS**SBendtrans-134.449.7170-69.5-172.544.300110.7A160A160-Q162 VanDerWaalsContact C-N 3.27Å; A160-Q162 PolarHBondContact O-N 3.1Å; A160-Q162 VanDerWaalsContact O-N 3.1Å
163Q48.6Very low48.6Very low177 Ų177160.9 Ų160.983%0.82783%0.832SS**SBendtrans-154.1121.8164.5-110.715825.300110.2
164S49.1Very low49.1Very low117 Ų117160.5 Ų160.582%0.81883%0.831SS**  trans91.761.6157.2-41.70000117.6
165T48.5Very low49.8Very low138 Ų138158.1 Ų158.185%0.84782%0.824SS**  trans-104.588.8150.559.60000110.3
166S56Low50.6Low122 Ų122157.3 Ų157.385%0.85384%0.84SS**  trans-179.8124.3145.537.50000111.2
167R53.5Low51Low203 Ų203155.9 Ų155.977%0.76684%0.839SS**  trans-55.2153.9177.8-93.1160.160.1179.7-3.2113.2E169R167-E169 IonicContact CZ-OE1 3.4Å; R167-E169 IonicContact NH2-OE1 3.63Å; R167-E169 PolarHBondContact NH2-OE1 2.89Å
168P46.1Very low51.6Low117 Ų117153.8 Ų153.876%0.7684%0.835SS**  trans-81.8131.7166.833.8-27.3000109.2
169E57.1Low52.3Low156 Ų156151.6 Ų151.673%0.72983%0.831SS**  trans-131.8133.5158.1-73.5-172.6169.100109.3R167R167-E169 IonicContact CZ-OE1 3.4Å; R167-E169 IonicContact NH2-OE1 3.63Å; R167-E169 PolarHBondContact NH2-OE1 2.89Å
170D55.2Low53Low146 Ų146148.7 Ų148.778%0.78183%0.825SS**  trans-58.1162.4-169.2-65-72.7000116.5
171D56.5Low53.3Low144 Ų144152.1 Ų152.177%0.7783%0.828SS**  102.3116.5128.6-93.4-34.2000120.4
172V53.7Low53.9Low104 Ų104151.3 Ų151.363%0.6383%0.825SS**  trans64.8105.9143.4-166.10000117.7
173D62.9Low54Low169 Ų169148.6 Ų148.690%0.90482%0.821SS**  -140.6121.5128.2-119.8-23.3000111.7
174Q56.7Low54.4Low161 Ų161146.5 Ų146.575%0.75282%0.82SS**  trans-72149.3166.2-67176.1-1.700108
175N56.9Low54.9Low143 Ų143148.9 Ų148.977%0.76582%0.82SS**  141.7130.8110-148.733.1000113.4
176S55.6Low55.5Low184 Ų184149.9 Ų149.9100%1.28782%0.818SS**  trans76.40161.4-58.30000119.4

Retrieved 176 of 176 residues in 177.5 ms (Link to these results)

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