A0A077Z8K5_TRITR Loading...

Regulator of telomere elongation helicase 1

AlphaFold DB , UniProt , Accession A0A077Z8K5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M77.4Confident88.5Confident114 Ų11480.5 Ų80.556%0.56245%0.446SS*.  0-24.70-61.4-48.7-73.700113.9K3 V4 A27 S31M1-K3 PolarHBondContact O-N 3.05Å; M1-V4 HydrophobicContact CE-CG2 4.06Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.2Å; M1-A27 HydrophobicContact CE-CB 3.56Å; M1-A27 WeakPolarHBondContact CE-O 3.24Å; M1-A27 HydrophobicContact SD-CB 3.78Å; M1-S31 VanDerWaalsContact CE-OG 3.25Å; M1-S31 WeakPolarHBondContact CE-OG 3.44Å
2S85.9Confident88.6Confident82 Ų8279.5 Ų79.557%0.57344%0.444SS*.Hα-helixtrans-49.2-39.2171.948.60000114.1V4 V5 N6S2-V4 VanDerWaalsContact C-N 3.27Å; S2-V4 PolarHBondContact O-N 2.71Å; S2-V5 PolarHBondContact O-N 2.99Å; S2-V5 VanDerWaalsContact O-N 3.11Å; S2-N6 PolarHBondContact O-N 3.46Å; S2-N6 PolarHBondContact O-OD1 3.2Å
3K90.2Very high88.8Confident149 Ų14985.2 Ų85.265%0.64847%0.473SS*.Hα-helixtrans-53.6-40.9175.8-63.8-173.9179.7-1770113.2M1 C7 L16M1-K3 PolarHBondContact O-N 3.05Å; K3-C7 PolarHBondContact O-N 3.47Å; K3-C7 VanDerWaalsContact O-N 3.07Å; K3-C7 PolarHBondContact O-SG 3.28Å; K3-L16 HydrophobicContact CB-CD2 4.23Å
4V91.1Very high88.9Confident15 Ų1582.7 Ų82.79%0.09147%0.469CS..Hα-helixtrans-63.7-47.3178.4-179.10000110.2M1 S2 C7 L8 L16 L28 S31M1-V4 HydrophobicContact CE-CG2 4.06Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.2Å; S2-V4 VanDerWaalsContact C-N 3.27Å; S2-V4 PolarHBondContact O-N 2.71Å; V4-C7 PolarHBondContact O-N 2.98Å; V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-L16 HydrophobicContact CG2-CD1 3.48Å; V4-L16 VanDerWaalsContact CG2-CD1 3.48Å; V4-L28 HydrophobicContact CG2-CD2 3.83Å; V4-S31 WeakPolarHBondContact CG1-OG 3.5Å
5V90.5Very high89Confident43 Ų4384.2 Ų84.226%0.26150%0.495SS..Hα-helixtrans-62.1-45.3-179.7178.30000110.8S2 C7 L8 E9S2-V5 PolarHBondContact O-N 2.99Å; S2-V5 VanDerWaalsContact O-N 3.11Å; V5-C7 VanDerWaalsContact C-N 3.34Å; V5-C7 PolarHBondContact O-N 3.25Å; V5-L8 WeakPolarHBondContact O-CB 3.24Å; V5-L8 PolarHBondContact O-N 3.32Å; V5-E9 HydrophobicContact CG1-CG 4.45Å; V5-E9 WeakPolarHBondContact O-CG 3.42Å; V5-E9 PolarHBondContact O-N 3.34Å
6N91Very high89Confident79 Ų7983.3 Ų83.342%0.42249%0.487SS..Hα-helixtrans-60.2-42.5177.1-66.25.6000111.9S2 E9 Q10S2-N6 PolarHBondContact O-N 3.46Å; S2-N6 PolarHBondContact O-OD1 3.2Å; N6-E9 PolarHBondContact O-N 3.24Å; N6-Q10 WeakPolarHBondContact O-CB 3.42Å; N6-Q10 VanDerWaalsContact O-CG 3.27Å; N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.2Å
7C91.6Very high88.9Confident28 Ų2889.1 Ų89.119%0.18951%0.508CS..Hα-helixtrans-66.2-38.6177.1-64.70000112K3 V4 V5 Q10 G11 T12 A14K3-C7 PolarHBondContact O-N 3.47Å; K3-C7 VanDerWaalsContact O-N 3.07Å; K3-C7 PolarHBondContact O-SG 3.28Å; V4-C7 PolarHBondContact O-N 2.98Å; V5-C7 VanDerWaalsContact C-N 3.34Å; V5-C7 PolarHBondContact O-N 3.25Å; C7-Q10 PolarHBondContact O-N 3.03Å; C7-G11 PolarHBondContact O-N 2.87Å; C7-T12 PolarHBondContact O-N 3.3Å; C7-A14 HydrophobicContact CB-CB 3.98Å; C7-A14 WeakPolarHBondContact SG-CB 3.48Å
8L89.3Confident88.7Confident51 Ų5186.5 Ų86.527%0.26750%0.497SS..Hα-helixtrans-65.8-37.4174.5-70.3170.9000112.3V4 V5 T32 W35V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.36Å; V5-L8 WeakPolarHBondContact O-CB 3.24Å; V5-L8 PolarHBondContact O-N 3.32Å; L8-T32 HydrophobicContact CD1-CG2 4.18Å; L8-W35 HydrophobicContact CB-CD2 3.92Å; L8-W35 HydrophobicContact CB-CG 4.11Å; L8-W35 HydrophobicContact CB-CZ2 3.86Å; L8-W35 HydrophobicContact CD1-CB 3.92Å; L8-W35 HydrophobicContact CD1-CD2 3.89Å; L8-W35 HydrophobicContact CD1-CE3 4.2Å; L8-W35 HydrophobicContact CD1-CG 3.78Å; L8-W35 HydrophobicContact CG-CD2 4.4Å; L8-W35 WeakPolarHBondContact O-CZ2 3.2Å
9E88.2Confident88.4Confident119 Ų11986.7 Ų86.756%0.55650%0.501SS*.Hα-helixtrans-69.1-42.1175.6-74.6174.5177.900112.5V5 N6 G11V5-E9 HydrophobicContact CG1-CG 4.45Å; V5-E9 WeakPolarHBondContact O-CG 3.42Å; V5-E9 PolarHBondContact O-N 3.34Å; N6-E9 PolarHBondContact O-N 3.24Å; E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 3.02Å
10Q89.5Confident88.1Confident139 Ų13989.1 Ų89.165%0.6552%0.517SS*.Hα-helixtrans-77.5-13178.7-67.7175.8-300113.5N6 C7 T12N6-Q10 WeakPolarHBondContact O-CB 3.42Å; N6-Q10 VanDerWaalsContact O-CG 3.27Å; N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.2Å; C7-Q10 PolarHBondContact O-N 3.03Å; Q10-T12 VanDerWaalsContact C-N 3.26Å; Q10-T12 HydrophobicContact CB-CG2 3.84Å; Q10-T12 PolarHBondContact O-N 3.48Å
11G88.7Confident87.6Confident67 Ų6788.9 Ų88.969%0.69154%0.535SS*.THydrogen-bonded Turntrans64.830.5-173.200000113C7 E9C7-G11 PolarHBondContact O-N 2.87Å; E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 3.02Å
12T89.5Confident87.5Confident68 Ų6887.5 Ų87.542%0.41753%0.533SS..  trans-104.5153.4-175.455.40000112.4C7 Q10C7-T12 PolarHBondContact O-N 3.3Å; Q10-T12 VanDerWaalsContact C-N 3.26Å; Q10-T12 HydrophobicContact CB-CG2 3.84Å; Q10-T12 PolarHBondContact O-N 3.48Å
13N91.9Very high87.3Confident154 Ų15485.5 Ų85.582%0.82453%0.526SS*.  trans-78.5139.9173.2-62.2-39000110.1
14A89.5Confident87.2Confident50 Ų5081.5 Ų81.541%0.41351%0.508SS..  trans-132.5129.3-179.800000111.4C7 L16C7-A14 HydrophobicContact CB-CB 3.98Å; C7-A14 WeakPolarHBondContact SG-CB 3.48Å; A14-L16 HydrophobicContact CB-CD2 4.28Å; A14-L16 HydrophobicContact CB-CG 4.16Å
15A91.3Very high86.9Confident105 Ų10582.6 Ų82.687%0.86852%0.515SS*.  trans-90.9109.4165.900000108.5
16L88.5Confident86.6Confident69 Ų6985.7 Ų85.736%0.36153%0.534SS..  trans-108.4107.4-175.4-63174.7000110.8K3 V4 A14 L28K3-L16 HydrophobicContact CB-CD2 4.23Å; V4-L16 HydrophobicContact CG2-CD1 3.48Å; V4-L16 VanDerWaalsContact CG2-CD1 3.48Å; A14-L16 HydrophobicContact CB-CD2 4.28Å; A14-L16 HydrophobicContact CB-CG 4.16Å; L16-L28 HydrophobicContact CD1-CD2 4.04Å
17E87.7Confident86.4Confident182 Ų18283.3 Ų83.385%0.8553%0.525SS*.  trans-82141.9169.8-72.1-62.6159.100111.1
18S84.6Confident86.3Confident43 Ų4385 Ų8530%0.30153%0.532SS..  trans-147.8154.7173.629.50000109.2K24S18-K24 VanDerWaalsContact C-NZ 3.25Å; S18-K24 VanDerWaalsContact CB-CE 3.44Å; S18-K24 WeakPolarHBondContact O-CE 3.33Å; S18-K24 PolarHBondContact O-NZ 2.87Å; S18-K24 WeakPolarHBondContact OG-CD 3.4Å; S18-K24 WeakPolarHBondContact OG-CE 3.39Å; S18-K24 VanDerWaalsContact OG-CG 3.24Å; S18-K24 WeakPolarHBondContact OG-CG 3.18Å; S18-K24 PolarHBondContact OG-NZ 3.33Å
19P83.8Confident86.2Confident90 Ų9084.3 Ų84.358%0.58453%0.528SS*.  trans-69.1148.4174.519.2-23000111.3T22 K24P19-T22 HydrophobicContact CB-CG2 4.21Å; P19-T22 HydrophobicContact CG-CG2 3.67Å; P19-T22 PolarHBondContact O-OG1 3.49Å; P19-K24 WeakPolarHBondContact O-CE 3.13Å
20T81.8Confident86.2Confident134 Ų13482.5 Ų82.582%0.82253%0.528SS*.THydrogen-bonded Turntrans-62.1146.6173.1470000110.3T22T20-T22 PolarHBondContact O-N 3.33Å
21G76.7Confident86.2Confident86 Ų8676.3 Ų76.389%0.88750%0.5SS*.THydrogen-bonded Turntrans820.2178.200000116.9G23G21-G23 PolarHBondContact O-N 3.04Å
22T76.5Confident86.2Confident84 Ų8474.2 Ų74.252%0.51547%0.474SS..SBendtrans-93.918.6-176.5560000115.6P19 T20 K24P19-T22 HydrophobicContact CB-CG2 4.21Å; P19-T22 HydrophobicContact CG-CG2 3.67Å; P19-T22 PolarHBondContact O-OG1 3.49Å; T20-T22 PolarHBondContact O-N 3.33Å; T22-K24 VanDerWaalsContact C-N 3.33Å; T22-K24 PolarHBondContact O-N 2.99Å
23G81.9Confident86.1Confident41 Ų4174.9 Ų74.942%0.42347%0.474SS..  trans66.432.2178.300000113.9G21 T25 V26 A27G21-G23 PolarHBondContact O-N 3.04Å; G23-T25 PolarHBondContact O-N 2.89Å; G23-T25 VanDerWaalsContact O-N 3.1Å; G23-V26 PolarHBondContact O-N 2.91Å; G23-A27 PolarHBondContact O-N 3.48Å
24K86.6Confident85.9Confident65 Ų6570.2 Ų70.228%0.28346%0.457SS..Hα-helixtrans-45.3-45.2-178.3-53.6179.4171.3-141.10113.5S18 P19 T22 A27 L28S18-K24 VanDerWaalsContact C-NZ 3.25Å; S18-K24 VanDerWaalsContact CB-CE 3.44Å; S18-K24 WeakPolarHBondContact O-CE 3.33Å; S18-K24 PolarHBondContact O-NZ 2.87Å; S18-K24 WeakPolarHBondContact OG-CD 3.4Å; S18-K24 WeakPolarHBondContact OG-CE 3.39Å; S18-K24 VanDerWaalsContact OG-CG 3.24Å; S18-K24 WeakPolarHBondContact OG-CG 3.18Å; S18-K24 PolarHBondContact OG-NZ 3.33Å; P19-K24 WeakPolarHBondContact O-CE 3.13Å; T22-K24 VanDerWaalsContact C-N 3.33Å; T22-K24 PolarHBondContact O-N 2.99Å; K24-A27 PolarHBondContact O-N 3.49Å; K24-L28 WeakPolarHBondContact O-CB 3.33Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.47Å; K24-L28 PolarHBondContact O-N 3.11Å
25T85.2Confident85.8Confident38 Ų3869.1 Ų69.123%0.23344%0.442CS..Hα-helixtrans-61.3-49.3-179.8-56.70000111.3G23 A27 L28 L29 Y80G23-T25 PolarHBondContact O-N 2.89Å; G23-T25 VanDerWaalsContact O-N 3.1Å; T25-A27 VanDerWaalsContact C-N 3.34Å; T25-A27 PolarHBondContact O-N 3.38Å; T25-L28 PolarHBondContact O-N 3.4Å; T25-L29 HydrophobicContact CG2-CD1 3.92Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.29Å; T25-L29 WeakPolarHBondContact O-CG 3.47Å; T25-L29 PolarHBondContact O-N 2.9Å; T25-Y80 HydrophobicContact CG2-CE2 4.22Å; T25-Y80 VanDerWaalsContact CG2-OH 3.29Å; T25-Y80 WeakPolarHBondContact CG2-OH 3.34Å; T25-Y80 PolarHBondContact OG1-OH 2.86Å
26V85.1Confident85.6Confident107 Ų10765.2 Ų65.265%0.64841%0.406SS*.Hα-helixtrans-64.4-42.6178.6178.60000110.4G23 C30G23-V26 PolarHBondContact O-N 2.91Å; V26-C30 WeakPolarHBondContact O-CB 3.45Å; V26-C30 PolarHBondContact O-N 3.46Å
27A87.3Confident85.5Confident30 Ų3068.7 Ų68.725%0.24842%0.419CS..Hα-helixtrans-59.4-52.8177.100000110.6M1 G23 K24 T25 L29 C30 S31M1-A27 HydrophobicContact CE-CB 3.56Å; M1-A27 WeakPolarHBondContact CE-O 3.24Å; M1-A27 HydrophobicContact SD-CB 3.78Å; G23-A27 PolarHBondContact O-N 3.48Å; K24-A27 PolarHBondContact O-N 3.49Å; T25-A27 VanDerWaalsContact C-N 3.34Å; T25-A27 PolarHBondContact O-N 3.38Å; A27-L29 PolarHBondContact O-N 3.27Å; A27-C30 PolarHBondContact O-N 3.49Å; A27-S31 PolarHBondContact O-N 3.19Å; A27-S31 PolarHBondContact O-OG 3.36Å
28L88.4Confident85.4Confident63 Ų6365 Ų6533%0.3341%0.413SS..Hα-helixtrans-57.5-51.7179-75.8170.3000111.5V4 L16 K24 T25 C30 S31 T32V4-L28 HydrophobicContact CG2-CD2 3.83Å; L16-L28 HydrophobicContact CD1-CD2 4.04Å; K24-L28 WeakPolarHBondContact O-CB 3.33Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.47Å; K24-L28 PolarHBondContact O-N 3.11Å; T25-L28 PolarHBondContact O-N 3.4Å; L28-C30 VanDerWaalsContact C-N 3.32Å; L28-C30 PolarHBondContact O-N 3.11Å; L28-S31 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-OG 3Å; L28-T32 PolarHBondContact O-N 3.48Å; L28-T32 PolarHBondContact O-OG1 3.2Å
29L87.5Confident85.1Confident36 Ų3668 Ų6819%0.18842%0.418CS..Hα-helixtrans-58.5-44.4178.3-71.3173.3000111.5T25 A27 S31 T32 I33 Y80T25-L29 HydrophobicContact CG2-CD1 3.92Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.29Å; T25-L29 WeakPolarHBondContact O-CG 3.47Å; T25-L29 PolarHBondContact O-N 2.9Å; A27-L29 PolarHBondContact O-N 3.27Å; L29-S31 PolarHBondContact O-N 3.23Å; L29-T32 PolarHBondContact O-N 2.95Å; L29-I33 HydrophobicContact CB-CD1 4.5Å; L29-I33 WeakPolarHBondContact O-CB 3.25Å; L29-I33 WeakPolarHBondContact O-CD1 3.48Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.49Å; L29-Y80 HydrophobicContact CD2-CD2 4.2Å; L29-Y80 HydrophobicContact CD2-CG 4.43Å
30C88.3Confident84.5Confident81 Ų8170.5 Ų70.555%0.54742%0.415SS..Hα-helixtrans-61-46.4178.5-174.50000111.7V26 A27 L28 T32 I33 A34V26-C30 WeakPolarHBondContact O-CB 3.45Å; V26-C30 PolarHBondContact O-N 3.46Å; A27-C30 PolarHBondContact O-N 3.49Å; L28-C30 VanDerWaalsContact C-N 3.32Å; L28-C30 PolarHBondContact O-N 3.11Å; C30-T32 PolarHBondContact O-N 3.25Å; C30-I33 PolarHBondContact O-N 3.02Å; C30-A34 VanDerWaalsContact O-CB 3.24Å; C30-A34 WeakPolarHBondContact O-CB 3.27Å; C30-A34 PolarHBondContact O-N 3.19Å
31S89.3Confident83.5Confident10 Ų1069.5 Ų69.57%0.0741%0.411CS..Hα-helixtrans-62.6-41.6177.149.70000112.9M1 V4 A27 L28 L29 W35M1-S31 VanDerWaalsContact CE-OG 3.25Å; M1-S31 WeakPolarHBondContact CE-OG 3.44Å; V4-S31 WeakPolarHBondContact CG1-OG 3.5Å; A27-S31 PolarHBondContact O-N 3.19Å; A27-S31 PolarHBondContact O-OG 3.36Å; L28-S31 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-OG 3Å; L29-S31 PolarHBondContact O-N 3.23Å; S31-W35 WeakPolarHBondContact O-CB 3.4Å; S31-W35 PolarHBondContact O-N 3.05Å
32T88.8Confident82.4Confident23 Ų2369.9 Ų69.914%0.14140%0.4CS..Hα-helixtrans-73.1-38.4-178.5-43.80000111.7L8 L28 L29 C30 W35 L36 I78L8-T32 HydrophobicContact CD1-CG2 4.18Å; L28-T32 PolarHBondContact O-N 3.48Å; L28-T32 PolarHBondContact O-OG1 3.2Å; L29-T32 PolarHBondContact O-N 2.95Å; C30-T32 PolarHBondContact O-N 3.25Å; T32-W35 PolarHBondContact O-N 3.3Å; T32-L36 WeakPolarHBondContact O-CB 3.29Å; T32-L36 PolarHBondContact O-N 3.39Å; T32-I78 HydrophobicContact CG2-CB 4.38Å; T32-I78 HydrophobicContact CG2-CD1 3.46Å; T32-I78 VanDerWaalsContact CG2-CD1 3.46Å; T32-I78 HydrophobicContact CG2-CG1 3.6Å; T32-I78 HydrophobicContact CG2-CG2 3.88Å
33I86.4Confident81.1Confident82 Ų8274.4 Ų74.442%0.42142%0.416SS..Hα-helixtrans-65.9-42.5174.6-68.2166.4000110.5L29 C30 L36 K37 I78L29-I33 HydrophobicContact CB-CD1 4.5Å; L29-I33 WeakPolarHBondContact O-CB 3.25Å; L29-I33 WeakPolarHBondContact O-CD1 3.48Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.49Å; C30-I33 PolarHBondContact O-N 3.02Å; I33-L36 PolarHBondContact O-N 2.72Å; I33-K37 HydrophobicContact CG2-CD 4.38Å; I33-K37 HydrophobicContact CG2-CG 4.47Å; I33-K37 WeakPolarHBondContact O-CB 3.39Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.21Å; I33-I78 HydrophobicContact CG1-CD1 4.37Å
34A87.9Confident79.3Confident56 Ų5678.8 Ų78.846%0.46343%0.429SS..Hα-helixtrans-61.7-45.3176.600000111.6C30 L36 K37 S38C30-A34 VanDerWaalsContact O-CB 3.24Å; C30-A34 WeakPolarHBondContact O-CB 3.27Å; C30-A34 PolarHBondContact O-N 3.19Å; A34-L36 PolarHBondContact O-N 2.91Å; A34-K37 PolarHBondContact O-N 3.3Å; A34-S38 PolarHBondContact O-N 3.35Å
35W89.1Confident77.1Confident27 Ų2784.5 Ų84.510%0.10246%0.457CS..Hα-helixtrans-61.9-41.3174.5176.990.5000112.3L8 S31 T32 S38 R39 T76L8-W35 HydrophobicContact CB-CD2 3.92Å; L8-W35 HydrophobicContact CB-CG 4.11Å; L8-W35 HydrophobicContact CB-CZ2 3.86Å; L8-W35 HydrophobicContact CD1-CB 3.92Å; L8-W35 HydrophobicContact CD1-CD2 3.89Å; L8-W35 HydrophobicContact CD1-CE3 4.2Å; L8-W35 HydrophobicContact CD1-CG 3.78Å; L8-W35 HydrophobicContact CG-CD2 4.4Å; L8-W35 WeakPolarHBondContact O-CZ2 3.2Å; S31-W35 WeakPolarHBondContact O-CB 3.4Å; S31-W35 PolarHBondContact O-N 3.05Å; T32-W35 PolarHBondContact O-N 3.3Å; W35-S38 WeakPolarHBondContact O-CB 2.98Å; W35-S38 PolarHBondContact O-N 2.86Å; W35-R39 VanDerWaalsContact CE2-NE 3.3Å; W35-R39 PolarHBondContact O-N 2.96Å; W35-T76 HydrophobicContact CH2-CG2 4.02Å; W35-T76 HydrophobicContact CZ3-CG2 3.66Å
36L87.2Confident74.5Confident22 Ų2286.5 Ų86.512%0.11549%0.485CS..Hα-helixtrans-64.8-42.1176.5-175.467.3000112T32 I33 A34 S38 R39 R40 T76 I78T32-L36 WeakPolarHBondContact O-CB 3.29Å; T32-L36 PolarHBondContact O-N 3.39Å; I33-L36 PolarHBondContact O-N 2.72Å; A34-L36 PolarHBondContact O-N 2.91Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.31Å; L36-R39 PolarHBondContact O-N 3.18Å; L36-R40 PolarHBondContact O-N 3.4Å; L36-T76 HydrophobicContact CD1-CG2 3.82Å; L36-I78 HydrophobicContact CB-CD1 4.25Å; L36-I78 HydrophobicContact CD2-CD1 3.85Å; L36-I78 HydrophobicContact CD2-CG1 4.31Å
37K85.7Confident72.1Confident142 Ų14285.7 Ų85.762%0.61749%0.489SS*.Hα-helixtrans-61.5-39.6175.9-78.9-176.4174.8-1740111.7I33 A34 R39 R40I33-K37 HydrophobicContact CG2-CD 4.38Å; I33-K37 HydrophobicContact CG2-CG 4.47Å; I33-K37 WeakPolarHBondContact O-CB 3.39Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.21Å; A34-K37 PolarHBondContact O-N 3.3Å; K37-R39 PolarHBondContact O-N 3.29Å; K37-R40 PolarHBondContact O-N 3.07Å
38S85Confident69.3Low104 Ų10491 Ų9173%0.72752%0.518SS*.Hα-helixtrans-62-28.9177.2-1720000113.3A34 W35 L36A34-S38 PolarHBondContact O-N 3.35Å; W35-S38 WeakPolarHBondContact O-CB 2.98Å; W35-S38 PolarHBondContact O-N 2.86Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.31Å
39R79.2Confident67.1Low107 Ų10794.4 Ų94.440%0.40454%0.542SS..Hα-helixtrans-94-11.1-178.7-70.7-173.2170.7-155.70.4115W35 L36 K37 P41W35-R39 VanDerWaalsContact CE2-NE 3.3Å; W35-R39 PolarHBondContact O-N 2.96Å; L36-R39 PolarHBondContact O-N 3.18Å; K37-R39 PolarHBondContact O-N 3.29Å; R39-P41 WeakPolarHBondContact O-CD 3.25Å
40R70.8Confident64.6Low142 Ų14298 Ų9854%0.53657%0.565SS.*SBendtrans-69.2123.4171.9-72.7-175.7-171.8158.83.5106.7L36 K37 S42L36-R40 PolarHBondContact O-N 3.4Å; K37-R40 PolarHBondContact O-N 3.07Å; R40-S42 PolarHBondContact O-N 2.94Å
41P59.9Low62Low114 Ų114100.3 Ų100.374%0.7458%0.579SS**PPolyproline II helixtrans-55.9118.6170.923.1-29.8000106R39 E43R39-P41 WeakPolarHBondContact O-CD 3.25Å; P41-E43 PolarHBondContact O-N 3.11Å
42S55Low59.2Low93 Ų93105.9 Ų105.965%0.6561%0.609SS**PPolyproline II helixtrans-50.8117.6173.5-64.60000106.6R40 N44R40-S42 PolarHBondContact O-N 2.94Å; S42-N44 PolarHBondContact O-N 3.44Å
43E49.2Very low56.6Low180 Ų180113.2 Ų113.284%0.84164%0.641SS**  trans-68.855.5168.8-67.6-179.8168.900109P41 H45P41-E43 PolarHBondContact O-N 3.11Å; E43-H45 VanDerWaalsContact C-N 3.33Å; E43-H45 PolarHBondContact O-N 3.04Å; E43-H45 PolarHBondContact O-ND1 2.98Å
44N43.4Very low53.9Low132 Ų132112.7 Ų112.771%0.70666%0.656SS**  trans-83.187.3166.2-75.9-18.5000106.3S42 G46S42-N44 PolarHBondContact O-N 3.44Å; N44-G46 PolarHBondContact O-N 3.49Å
45H41.3Very low51.3Low186 Ų186117.4 Ų117.486%0.86167%0.673SS**SBendtrans14.998130.5-67.764.4000114.9E43E43-H45 VanDerWaalsContact C-N 3.33Å; E43-H45 PolarHBondContact O-N 3.04Å; E43-H45 PolarHBondContact O-ND1 2.98Å
46G29.9Very low48.8Very low80 Ų80121.9 Ų121.983%0.82571%0.708SS**  trans82.186.3154.100000117.3N44N44-G46 PolarHBondContact O-N 3.49Å
47A34.7Very low46.3Very low90 Ų90125.5 Ų125.574%0.74473%0.734SS**  trans-166.512314600000111.3V49A47-V49 PolarHBondContact O-N 3.21Å
48T29.3Very low44.1Very low140 Ų140125.9 Ų125.986%0.85974%0.741SS**  trans-29.1118.8166.1-43.90000114.6
49V42Very low41.6Very low135 Ų135127.6 Ų127.682%0.81874%0.742SS**  trans-116.4112.9163.9-179.90000108.2A47A47-V49 PolarHBondContact O-N 3.21Å
50T34.3Very low39.3Very low112 Ų112129.6 Ų129.669%0.68776%0.761SS**  trans-65.5139.7167.244.80000110D52T50-D52 PolarHBondContact O-N 3.33Å
51P34.2Very low37.6Very low129 Ų129131.2 Ų131.284%0.83877%0.772SS**  trans-85.993.317933.9-27.4000108.4
52D30.9Very low36.4Very low128 Ų128132.1 Ų132.168%0.68477%0.769SS**  trans-155.9134158.2-141.8-2.4000111.4T50T50-D52 PolarHBondContact O-N 3.33Å
53Q33.1Very low35Very low176 Ų176136.3 Ų136.382%0.82278%0.776SS**  trans73119.6164.3-61.1163.916.200118.8
54G30.4Very low34.1Very low71 Ų71137.3 Ų137.373%0.73278%0.778SS**  trans13682.2140.300000116.7
55D33.3Very low33.3Very low155 Ų155138.8 Ų138.883%0.82978%0.781SS**  trans68.3105.7140.9-63.6-23.3000121.7
56C35.2Very low32.8Very low122 Ų122135 Ų13582%0.82478%0.775SS**  trans-73.2117.9154.9550000111.7
57C35.2Very low32.8Very low98 Ų98137 Ų13766%0.66278%0.776SS**  trans-164.7106.3149.612.60000113.1
58I41Very low32.9Very low150 Ų150144 Ų14477%0.76978%0.784SS**  trans-128.274.2133.3-53-179.2000106.1N60I58-N60 PolarHBondContact O-N 2.88Å
59N30.7Very low33.3Very low140 Ų140143 Ų14375%0.74978%0.776SS**  trans-70.1108.6162.2-79.7-25.7000107.5
60N32.4Very low32.7Very low149 Ų149140.4 Ų140.480%0.79778%0.777SS**  trans144.879.3150.1-78.4-18.8000111.3I58I58-N60 PolarHBondContact O-N 2.88Å
61F33.8Very low32.9Very low176 Ų176139.7 Ų139.777%0.77278%0.783SS**SBendtrans-158.899.8141.9-137.8-102.9000111.8
62I34.6Very low33.2Very low133 Ų133140.4 Ų140.468%0.68278%0.779SS**  trans4398.1151.9-49.6-174.9000117.1F64I62-F64 PolarHBondContact O-N 3.03Å
63F25.6Very low33.7Very low180 Ų180140.5 Ų140.579%0.78979%0.788SS**  trans-47118.4155.6-125.2-105.9000111.4Q65F63-Q65 HydrophobicContact CD1-CG 3.98Å; F63-Q65 HydrophobicContact CE1-CG 3.87Å
64F30.1Very low34.6Very low202 Ų202135.4 Ų135.489%0.88678%0.783SS**  trans-128.9106.2148.8-131.7-90.6000108I62 S66I62-F64 PolarHBondContact O-N 3.03Å; F64-S66 PolarHBondContact O-N 2.94Å
65Q27.1Very low36.3Very low163 Ų163140.3 Ų140.376%0.76278%0.784SS**  trans-55.3115.6178.9-80.9-179.8-2500111F63F63-Q65 HydrophobicContact CD1-CG 3.98Å; F63-Q65 HydrophobicContact CE1-CG 3.87Å
66S31.3Very low38.1Very low105 Ų105135.9 Ų135.973%0.73476%0.762SS**  trans-155.190.9142.4-153.80000110F64 R68F64-S66 PolarHBondContact O-N 2.94Å; S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 2.72Å
67S29.9Very low40.1Very low123 Ų123138.3 Ų138.386%0.8676%0.762SS**SBendtrans-11.935.8168.2-50.60000123
68R36.7Very low42.2Very low238 Ų238136.9 Ų136.990%0.89875%0.747SS**  trans-138.39.2173.2-66.1-165.2-177.6-156.21.1117.1S66 G70S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 2.72Å; R68-G70 PolarHBondContact O-N 3.48Å
69V38.6Very low44.2Very low117 Ų117137.5 Ų137.571%0.70975%0.751SS**  trans-94.669.4-178.3-169.30000110.8L72V69-L72 HydrophobicContact CG1-CB 4.34Å; V69-L72 HydrophobicContact CG1-CD1 3.97Å; V69-L72 HydrophobicContact CG1-CG 4.5Å
70G28Very low46.7Very low81 Ų81133.7 Ų133.784%0.83573%0.727SS**  trans-102.48-177.600000116.3R68R68-G70 PolarHBondContact O-N 3.48Å
71A38Very low49Very low97 Ų97131 Ų13180%0.80272%0.724SS**  trans-145.912.2-174.600000116.2C73A71-C73 PolarHBondContact O-N 2.89Å; A71-C73 VanDerWaalsContact O-N 3.11Å
72L42.2Very low51Low145 Ų145124.6 Ų124.676%0.75970%0.702SS**  trans-88.461.9172.5-75.7168.6000110.3V69 G74V69-L72 HydrophobicContact CG1-CB 4.34Å; V69-L72 HydrophobicContact CG1-CD1 3.97Å; V69-L72 HydrophobicContact CG1-CG 4.5Å; L72-G74 PolarHBondContact O-N 3.43Å
73C40.1Very low52.8Low130 Ų130130 Ų13088%0.87871%0.714SS**  trans-60.5105164.4-176.80000108.6A71 K75A71-C73 PolarHBondContact O-N 2.89Å; A71-C73 VanDerWaalsContact O-N 3.11Å; C73-K75 PolarHBondContact O-N 3.42Å
74G53.2Low54.8Low69 Ų69125 Ų12571%0.71170%0.698SS**SBendtrans87.43139.300000120.3L72 T76L72-G74 PolarHBondContact O-N 3.43Å; G74-T76 PolarHBondContact O-N 3.27Å
75K65Low56.2Low173 Ų173119.5 Ų119.575%0.75268%0.675SS**  trans-85.8103.8177.3-161.8170.9-174.4173.90111.5C73 Q77C73-K75 PolarHBondContact O-N 3.42Å; K75-Q77 PolarHBondContact O-N 3.39Å
76T72.1Confident57.8Low62 Ų62116.7 Ų116.738%0.3868%0.679SS.*  trans-62123.5170.7-52.70000110.5W35 L36 G74W35-T76 HydrophobicContact CH2-CG2 4.02Å; W35-T76 HydrophobicContact CZ3-CG2 3.66Å; L36-T76 HydrophobicContact CD1-CG2 3.82Å; G74-T76 PolarHBondContact O-N 3.27Å
77Q76.3Confident59.1Low173 Ų173116.9 Ų116.981%0.80867%0.669SS**  trans-108.3141.5178.7-65.4-176.4-73.900110.6K75K75-Q77 PolarHBondContact O-N 3.39Å
78I80.4Confident60.5Low68 Ų68112 Ų11235%0.34963%0.633SS.*  trans-101.2116.3174.6-58.5169.2000107.6T32 I33 L36T32-I78 HydrophobicContact CG2-CB 4.38Å; T32-I78 HydrophobicContact CG2-CD1 3.46Å; T32-I78 VanDerWaalsContact CG2-CD1 3.46Å; T32-I78 HydrophobicContact CG2-CG1 3.6Å; T32-I78 HydrophobicContact CG2-CG2 3.88Å; I33-I78 HydrophobicContact CG1-CD1 4.37Å; L36-I78 HydrophobicContact CB-CD1 4.25Å; L36-I78 HydrophobicContact CD2-CD1 3.85Å; L36-I78 HydrophobicContact CD2-CG1 4.31Å
79L83.3Confident61.4Low163 Ų163104 Ų10485%0.85361%0.613SS**  trans-98.1118.2170.9-177.965.9000109
80Y83Confident62.3Low61 Ų61105.2 Ų105.224%0.23961%0.611CS.*  trans-111.7125.7173.8-179.7-90.5000109.7T25 L29 L88T25-Y80 HydrophobicContact CG2-CE2 4.22Å; T25-Y80 VanDerWaalsContact CG2-OH 3.29Å; T25-Y80 WeakPolarHBondContact CG2-OH 3.34Å; T25-Y80 PolarHBondContact OG1-OH 2.86Å; L29-Y80 HydrophobicContact CD2-CD2 4.2Å; L29-Y80 HydrophobicContact CD2-CG 4.43Å; Y80-L88 HydrophobicContact CD1-CD1 4.02Å; Y80-L88 HydrophobicContact CD1-CD2 3.24Å; Y80-L88 HydrophobicContact CD1-CG 4.12Å; Y80-L88 HydrophobicContact CE1-CD1 4.06Å; Y80-L88 HydrophobicContact CE1-CD2 3.34Å; Y80-L88 HydrophobicContact CE1-CG 3.96Å; Y80-L88 HydrophobicContact CG-CD2 4.35Å
81A78.9Confident63.8Low91 Ų91103.3 Ų103.375%0.75258%0.583SS**  trans-115127.9176.500000109.6
82S76.7Confident65Low42 Ų42104 Ų10429%0.29458%0.581SS.*  trans-123.6156.2170.6178.50000110.4T84 Q87S82-T84 VanDerWaalsContact C-N 3.31Å; S82-T84 PolarHBondContact OG-N 2.86Å; S82-T84 PolarHBondContact OG-O 3.33Å; S82-Q87 PolarHBondContact OG-OE1 2.78Å
83R73.2Confident66Low247 Ų24798.2 Ų98.293%0.93255%0.549SS*.SBendtrans-69.9-27.6175.3-173.5176.8-179.4-179.60.8112.4
84T66.7Low67.4Low74 Ų7499.2 Ų99.245%0.45455%0.545SS..  trans-130.6134.5-174.858.70000112S82 A86S82-T84 VanDerWaalsContact C-N 3.31Å; S82-T84 PolarHBondContact OG-N 2.86Å; S82-T84 PolarHBondContact OG-O 3.33Å; T84-A86 PolarHBondContact O-N 2.92Å
85H59.8Low68.3Low88 Ų8897.3 Ų97.341%0.40753%0.526SS..G310 helixtrans-62.3-25.9179.9-86.6-91.9000113.8Q87 L88 Q99H85-Q87 PolarHBondContact O-N 3.5Å; H85-L88 PolarHBondContact O-N 3.01Å; H85-Q99 PolarHBondContact NE2-NE2 2.81Å; H85-Q99 PolarHBondContact NE2-OE1 2.92Å
86A59.8Low69.2Low103 Ų10391.7 Ų91.785%0.85151%0.508SS*.G310 helixtrans-61.4-12.1-175.200000114.3T84T84-A86 PolarHBondContact O-N 2.92Å
87Q59.3Low69.7Low110 Ų11091.5 Ų91.551%0.51450%0.501SS..G310 helixtrans-97.52.3-176.4-63.8-177.4-3100114.3S82 H85S82-Q87 PolarHBondContact OG-OE1 2.78Å; H85-Q87 PolarHBondContact O-N 3.5Å
88L59Low70.1Confident21 Ų2186 Ų8611%0.1148%0.477CS..  trans-124.924.1-158.6-80.1173.4000118Y80 H85 Q90 V91 F93Y80-L88 HydrophobicContact CD1-CD1 4.02Å; Y80-L88 HydrophobicContact CD1-CD2 3.24Å; Y80-L88 HydrophobicContact CD1-CG 4.12Å; Y80-L88 HydrophobicContact CE1-CD1 4.06Å; Y80-L88 HydrophobicContact CE1-CD2 3.34Å; Y80-L88 HydrophobicContact CE1-CG 3.96Å; Y80-L88 HydrophobicContact CG-CD2 4.35Å; H85-L88 PolarHBondContact O-N 3.01Å; L88-Q90 PolarHBondContact O-N 2.91Å; L88-V91 HydrophobicContact CB-CG2 4.09Å; L88-V91 HydrophobicContact CD2-CG2 3.57Å; L88-V91 HydrophobicContact CG-CG2 4.3Å; L88-V91 PolarHBondContact O-N 3.4Å; L88-F93 VanDerWaalsContact C-CZ 3.48Å; L88-F93 HydrophobicContact CB-CE1 3.84Å; L88-F93 HydrophobicContact CB-CZ 4.29Å; L88-F93 WeakPolarHBondContact O-CE1 3Å; L88-F93 WeakPolarHBondContact O-CZ 3.46Å
89S55.9Low70.3Confident69 Ų6986.9 Ų86.948%0.48348%0.479SS..THydrogen-bonded Turntrans-58.3-0.7-177.260.20000117.4
90Q57.8Low70.3Confident143 Ų14380.1 Ų80.167%0.66844%0.444SS*.THydrogen-bonded Turntrans-121.411-170.2-60.5-178.3-4.500114.4L88 F165L88-Q90 PolarHBondContact O-N 2.91Å; Q90-F165 WeakPolarHBondContact O-CD2 3.37Å
91V59.6Low70.5Confident41 Ų4177.5 Ų77.525%0.24844%0.435CS..SBendtrans-130.4158.4-176.7-62.20000111.9L88 F93L88-V91 HydrophobicContact CB-CG2 4.09Å; L88-V91 HydrophobicContact CD2-CG2 3.57Å; L88-V91 HydrophobicContact CG-CG2 4.3Å; L88-V91 PolarHBondContact O-N 3.4Å; V91-F93 WeakPolarHBondContact O-CD2 3.44Å; V91-F93 WeakPolarHBondContact O-CE2 3.32Å; V91-F93 PolarHBondContact O-N 2.85Å
92C62.2Low71Confident112 Ų11273.7 Ų73.776%0.75740%0.402SS*.PPolyproline II helixtrans-60.1126.8171.5-176.90000109.9
93F64.5Low71.6Confident22 Ų2272.5 Ų72.510%0.09639%0.392CS..PPolyproline II helixtrans-93.7128.8-177.4-67.6-89.5000111.3L88 V91 P166 D167 L171L88-F93 VanDerWaalsContact C-CZ 3.48Å; L88-F93 HydrophobicContact CB-CE1 3.84Å; L88-F93 HydrophobicContact CB-CZ 4.29Å; L88-F93 WeakPolarHBondContact O-CE1 3Å; L88-F93 WeakPolarHBondContact O-CZ 3.46Å; V91-F93 WeakPolarHBondContact O-CD2 3.44Å; V91-F93 WeakPolarHBondContact O-CE2 3.32Å; V91-F93 PolarHBondContact O-N 2.85Å; F93-P166 WeakPolarHBondContact CE2-O 3.26Å; F93-D167 HydrophobicContact CE2-CB 4.44Å; F93-L171 HydrophobicContact CB-CD1 3.99Å; F93-L171 HydrophobicContact CD2-CD1 3.95Å; F93-L171 HydrophobicContact CG-CD1 4.41Å
94L69.3Low72.3Confident151 Ų15164 Ų6479%0.79137%0.368SS*.PPolyproline II helixtrans-102.8126.6156.1-67.4171.8000106.9
95G72.4Confident73.4Confident30 Ų3065.9 Ų65.931%0.30937%0.372SS..  trans-132.2162.5-177.600000111.9
96S82.2Confident74.9Confident54 Ų5461.8 Ų61.838%0.37835%0.353SS..  trans-63.5154.3170.6178.30000109.9D98 Q99 L100S96-D98 PolarHBondContact O-N 3.16Å; S96-D98 PolarHBondContact OG-N 3.29Å; S96-D98 VanDerWaalsContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD2 3.45Å; S96-Q99 PolarHBondContact O-N 3.49Å; S96-L100 PolarHBondContact O-N 3.05Å; S96-L100 VanDerWaalsContact O-N 3.1Å
97R84.2Confident76.3Confident58 Ų5859.4 Ų59.422%0.21933%0.33CS..Hα-helixtrans-55.1-23.3166.7-71.4174.7178.3176.1-2.3112Q99 C101 N116R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.39Å; R97-C101 WeakPolarHBondContact O-CB 3.24Å; R97-C101 PolarHBondContact O-N 3.06Å; R97-N116 VanDerWaalsContact CD-OD1 3.23Å; R97-N116 WeakPolarHBondContact CD-OD1 3.46Å
98D84.6Confident77.8Confident59 Ų5961.4 Ų61.432%0.31634%0.34SS..Hα-helixtrans-62.8-33.3174.2-63.5-52.8000113.9S96 S112 K115S96-D98 PolarHBondContact O-N 3.16Å; S96-D98 PolarHBondContact OG-N 3.29Å; S96-D98 VanDerWaalsContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD2 3.45Å; D98-S112 WeakPolarHBondContact OD1-CA 3.36Å; D98-S112 WeakPolarHBondContact OD1-CB 3.44Å; D98-S112 WeakPolarHBondContact OD2-CB 3.26Å; D98-K115 VanDerWaalsContact OD1-CD 3.29Å; D98-K115 WeakPolarHBondContact OD1-CD 3.44Å; D98-K115 WeakPolarHBondContact OD1-CE 3.37Å; D98-K115 IonicContact OD1-NZ 2.64Å; D98-K115 PolarHBondContact OD1-NZ 3.42Å
99Q83Confident79.3Confident85 Ų8563.9 Ų63.940%0.39735%0.351SS..Hα-helixtrans-95.1-35.7-177-64.5169.1-27.300111.5H85 S96 R97 I168 V172H85-Q99 PolarHBondContact NE2-NE2 2.81Å; H85-Q99 PolarHBondContact NE2-OE1 2.92Å; S96-Q99 PolarHBondContact O-N 3.49Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.39Å; Q99-I168 HydrophobicContact CB-CD1 3.82Å; Q99-I168 HydrophobicContact CG-CD1 4.44Å; Q99-V172 WeakPolarHBondContact O-CG2 3.18Å
100L83.6Confident80.9Confident22 Ų2272.2 Ų72.212%0.11537%0.372CS..Hα-helixtrans-96.4-18-171-64177.9000113.6S96 V102 I168 V172 W183S96-L100 PolarHBondContact O-N 3.05Å; S96-L100 VanDerWaalsContact O-N 3.1Å; L100-V102 PolarHBondContact O-N 3.42Å; L100-I168 HydrophobicContact CD2-CD1 3.99Å; L100-I168 HydrophobicContact CD2-CG1 3.63Å; L100-V172 HydrophobicContact CD2-CG2 4.04Å; L100-W183 HydrophobicContact CB-CE3 3.93Å; L100-W183 WeakPolarHBondContact O-CZ3 3.39Å
101C88Confident82.6Confident6 Ų669 Ų694%0.04136%0.359CS..  trans-65.1118.3-172.7-169.40000113.2R97 S107 W183R97-C101 WeakPolarHBondContact O-CB 3.24Å; R97-C101 PolarHBondContact O-N 3.06Å; C101-S107 VanDerWaalsContact O-CB 3.25Å; C101-S107 WeakPolarHBondContact O-CB 3.05Å; C101-S107 PolarHBondContact O-OG 2.92Å; C101-W183 VanDerWaalsContact CA-CH2 3.47Å; C101-W183 VanDerWaalsContact CA-CZ3 3.45Å; C101-W183 HydrophobicContact CB-CH2 4.13Å; C101-W183 HydrophobicContact CB-CZ3 4.49Å
102V88.5Confident84.1Confident11 Ų1169.3 Ų69.37%0.06736%0.363CS..  trans-92.8-10.5176.7-62.40000114.2L100 Y130 V172 K176 W183L100-V102 PolarHBondContact O-N 3.42Å; V102-Y130 HydrophobicContact CG2-CD1 3.46Å; V102-Y130 VanDerWaalsContact CG2-CD1 3.46Å; V102-Y130 HydrophobicContact CG2-CD2 4.32Å; V102-Y130 HydrophobicContact CG2-CE1 3.93Å; V102-Y130 HydrophobicContact CG2-CG 3.68Å; V102-V172 HydrophobicContact CG1-CG1 4.32Å; V102-K176 HydrophobicContact CB-CG 4.27Å; V102-K176 HydrophobicContact CG1-CG 4Å; V102-W183 HydrophobicContact CG2-CH2 3.93Å; V102-W183 HydrophobicContact CG2-CZ3 4.08Å
103H90.3Very high85.5Confident17 Ų1768.7 Ų68.78%0.07936%0.356CS..  trans-70.9123.7-176.6-176.9-59.5000110.5Q105 V106 S107 K122 Y130H103-Q105 PolarHBondContact ND1-N 2.77Å; H103-Q105 PolarHBondContact O-N 3.45Å; H103-V106 HydrophobicContact CB-CB 4.17Å; H103-V106 HydrophobicContact CB-CG2 4.28Å; H103-V106 PolarHBondContact O-N 3.43Å; H103-S107 WeakPolarHBondContact O-CB 2.83Å; H103-S107 PolarHBondContact O-N 3.4Å; H103-K122 WeakPolarHBondContact CE1-CE 3.38Å; H103-K122 PolarHBondContact CE1-NZ 2.95Å; H103-K122 WeakPolarHBondContact NE2-CD 3.08Å; H103-K122 WeakPolarHBondContact NE2-CE 3.35Å; H103-K122 PolarHBondContact NE2-NZ 2.74Å; H103-Y130 HydrophobicContact CB-CD2 3.88Å; H103-Y130 HydrophobicContact CB-CE2 3.99Å; H103-Y130 AromaticContact CD2-CD2 3.95Å
104P88.8Confident86.8Confident67 Ų6771.4 Ų71.444%0.43537%0.37SS..Hα-helixtrans-57.8-46-167.619.8-32.3000113.4V106 Q108P104-V106 PolarHBondContact O-N 3.34Å; P104-Q108 VanDerWaalsContact O-CD 3.32Å; P104-Q108 WeakPolarHBondContact O-CG 3.39Å; P104-Q108 PolarHBondContact O-N 2.81Å
105Q89.5Confident87.9Confident115 Ų11564.7 Ų64.754%0.53734%0.335SS..Hα-helixtrans-70.1-30178.8-63.3173-20.200114.1H103H103-Q105 PolarHBondContact ND1-N 2.77Å; H103-Q105 PolarHBondContact O-N 3.45Å
106V91.2Very high88.9Confident1 Ų165.7 Ų65.71%0.00633%0.333CS..Hα-helixtrans-89.4-38.8-174.3178.60000110.1H103 P104 Q108 E109 K115 L118 C119 K122H103-V106 HydrophobicContact CB-CB 4.17Å; H103-V106 HydrophobicContact CB-CG2 4.28Å; H103-V106 PolarHBondContact O-N 3.43Å; P104-V106 PolarHBondContact O-N 3.34Å; V106-Q108 PolarHBondContact O-N 3.15Å; V106-E109 PolarHBondContact O-N 2.99Å; V106-K115 HydrophobicContact CG1-CD 4.42Å; V106-K115 HydrophobicContact CG1-CG 3.49Å; V106-K115 VanDerWaalsContact CG1-CG 3.49Å; V106-K115 WeakPolarHBondContact O-CE 3.14Å; V106-K115 WeakPolarHBondContact O-CG 3.02Å; V106-L118 HydrophobicContact CG2-CB 4.15Å; V106-C119 HydrophobicContact CG1-CB 4.11Å; V106-K122 HydrophobicContact CG2-CD 3.69Å
107S89.4Confident89.4Confident53 Ų5370.9 Ų70.937%0.37135%0.346SS..Hα-helixtrans-61.5-32.5178.1-165.80000112.3C101 H103 E109C101-S107 VanDerWaalsContact O-CB 3.25Å; C101-S107 WeakPolarHBondContact O-CB 3.05Å; C101-S107 PolarHBondContact O-OG 2.92Å; H103-S107 WeakPolarHBondContact O-CB 2.83Å; H103-S107 PolarHBondContact O-N 3.4Å; S107-E109 VanDerWaalsContact C-N 3.3Å; S107-E109 PolarHBondContact O-N 3.1Å
108Q90.3Very high89.8Confident153 Ų15370.4 Ų70.472%0.71535%0.347SS*.THydrogen-bonded Turntrans-69.4-22.1178.7-75.117312.500114.2P104 V106 R110P104-Q108 VanDerWaalsContact O-CD 3.32Å; P104-Q108 WeakPolarHBondContact O-CG 3.39Å; P104-Q108 PolarHBondContact O-N 2.81Å; V106-Q108 PolarHBondContact O-N 3.15Å; Q108-R110 PolarHBondContact O-N 3.31Å
109E91.1Very high90.2Very high72 Ų7267.9 Ų67.934%0.33633%0.334SS..  trans-67.9131.4-179.8-66.4-57.5158.900111.6V106 S107 I114 K115 L118V106-E109 PolarHBondContact O-N 2.99Å; S107-E109 VanDerWaalsContact C-N 3.3Å; S107-E109 PolarHBondContact O-N 3.1Å; E109-I114 HydrophobicContact CG-CG2 4.36Å; E109-K115 HydrophobicContact CB-CB 4.2Å; E109-K115 WeakPolarHBondContact O-CE 3.39Å; E109-K115 PolarHBondContact O-NZ 3.23Å; E109-L118 HydrophobicContact CG-CD1 3.55Å
110R89.6Confident90.7Very high245 Ų24571.5 Ų71.593%0.92534%0.344SS*.SBendtrans-82.2-33.4179.5-60.9-175.8-167.4165.73.8112.6Q108Q108-R110 PolarHBondContact O-N 3.31Å
111D92Very high91.2Very high74 Ų7472.7 Ų72.740%0.39635%0.354SS..  trans-82.9120.4-180-171.1-23.1000110.3T113 I114 K115D111-T113 PolarHBondContact O-N 3.46Å; D111-T113 WeakPolarHBondContact OD1-CB 3.29Å; D111-T113 PolarHBondContact OD1-N 2.96Å; D111-T113 PolarHBondContact OD1-OG1 2.86Å; D111-I114 HydrophobicContact CB-CB 4.17Å; D111-I114 HydrophobicContact CB-CD1 3.93Å; D111-I114 HydrophobicContact CB-CG1 3.97Å; D111-I114 PolarHBondContact O-N 3.25Å; D111-K115 WeakPolarHBondContact O-CB 2.95Å; D111-K115 PolarHBondContact O-N 3.26Å
112S90.9Very high91.4Very high48 Ų4874 Ų7434%0.33636%0.359SS..Hα-helixtrans-62.3-31179.663.70000112.4D98 N116D98-S112 WeakPolarHBondContact OD1-CA 3.36Å; D98-S112 WeakPolarHBondContact OD1-CB 3.44Å; D98-S112 WeakPolarHBondContact OD2-CB 3.26Å; S112-N116 VanDerWaalsContact O-CB 3.26Å; S112-N116 WeakPolarHBondContact O-CB 3.29Å; S112-N116 PolarHBondContact O-N 2.89Å; S112-N116 PolarHBondContact O-ND2 3.24Å
113T92.2Very high91.5Very high100 Ų10075.3 Ų75.361%0.61337%0.365SS*.Hα-helixtrans-68.9-47.8179.2-49.90000110.5D111 N116 Y117D111-T113 PolarHBondContact O-N 3.46Å; D111-T113 WeakPolarHBondContact OD1-CB 3.29Å; D111-T113 PolarHBondContact OD1-N 2.96Å; D111-T113 PolarHBondContact OD1-OG1 2.86Å; T113-N116 PolarHBondContact O-N 3.45Å; T113-Y117 PolarHBondContact O-N 2.99Å
114I91.9Very high91.6Very high78 Ų7881.4 Ų81.440%0.440%0.398SS..Hα-helixtrans-65.2-44.5177.2-59.7178.7000109.7E109 D111 N116 Y117 L118E109-I114 HydrophobicContact CG-CG2 4.36Å; D111-I114 HydrophobicContact CB-CB 4.17Å; D111-I114 HydrophobicContact CB-CD1 3.93Å; D111-I114 HydrophobicContact CB-CG1 3.97Å; D111-I114 PolarHBondContact O-N 3.25Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 2.77Å; I114-Y117 WeakPolarHBondContact O-CB 3.24Å; I114-Y117 PolarHBondContact O-N 2.71Å; I114-Y117 VanDerWaalsContact O-N 3.13Å; I114-L118 HydrophobicContact CG2-CD1 4.24Å; I114-L118 HydrophobicContact CG2-CG 4.25Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 3.2Å
115K92.9Very high91.8Very high11 Ų1182.7 Ų82.75%0.04841%0.405CS..Hα-helixtrans-55.7-45.8175.7-169.8176-65.4150.20111.9D98 V106 E109 D111 L118 C119D98-K115 VanDerWaalsContact OD1-CD 3.29Å; D98-K115 WeakPolarHBondContact OD1-CD 3.44Å; D98-K115 WeakPolarHBondContact OD1-CE 3.37Å; D98-K115 IonicContact OD1-NZ 2.64Å; D98-K115 PolarHBondContact OD1-NZ 3.42Å; V106-K115 HydrophobicContact CG1-CD 4.42Å; V106-K115 HydrophobicContact CG1-CG 3.49Å; V106-K115 VanDerWaalsContact CG1-CG 3.49Å; V106-K115 WeakPolarHBondContact O-CE 3.14Å; V106-K115 WeakPolarHBondContact O-CG 3.02Å; E109-K115 HydrophobicContact CB-CB 4.2Å; E109-K115 WeakPolarHBondContact O-CE 3.39Å; E109-K115 PolarHBondContact O-NZ 3.23Å; D111-K115 WeakPolarHBondContact O-CB 2.95Å; D111-K115 PolarHBondContact O-N 3.26Å; K115-L118 PolarHBondContact O-N 3.23Å; K115-C119 VanDerWaalsContact O-CB 3.22Å; K115-C119 WeakPolarHBondContact O-CB 3.31Å; K115-C119 PolarHBondContact O-N 3.11Å
116N92.3Very high91.7Very high51 Ų5186.3 Ų86.327%0.27341%0.413SS..Hα-helixtrans-63.5-41.7177.3-79.6-37000112.4R97 S112 T113 I114 R120R97-N116 VanDerWaalsContact CD-OD1 3.23Å; R97-N116 WeakPolarHBondContact CD-OD1 3.46Å; S112-N116 VanDerWaalsContact O-CB 3.26Å; S112-N116 WeakPolarHBondContact O-CB 3.29Å; S112-N116 PolarHBondContact O-N 2.89Å; S112-N116 PolarHBondContact O-ND2 3.24Å; T113-N116 PolarHBondContact O-N 3.45Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 2.77Å; N116-R120 WeakPolarHBondContact O-CB 3.41Å; N116-R120 VanDerWaalsContact O-CG 3.28Å; N116-R120 WeakPolarHBondContact O-CG 3.39Å; N116-R120 PolarHBondContact O-N 2.73Å
117Y93.6Very high91.7Very high163 Ų16389.3 Ų89.364%0.63944%0.435SS*.Hα-helixtrans-63.1-50.3175.4175-96.3000111.9T113 I114 C119 R120 S121T113-Y117 PolarHBondContact O-N 2.99Å; I114-Y117 WeakPolarHBondContact O-CB 3.24Å; I114-Y117 PolarHBondContact O-N 2.71Å; I114-Y117 VanDerWaalsContact O-N 3.13Å; Y117-C119 VanDerWaalsContact C-N 3.34Å; Y117-C119 PolarHBondContact O-N 2.93Å; Y117-R120 PolarHBondContact O-N 3.29Å; Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.24Å
118L92.8Very high91.7Very high48 Ų4887.1 Ų87.125%0.25142%0.419SS..Hα-helixtrans-60.8-43.2178-69.7-177.5000111.8V106 E109 I114 K115 S121 K122V106-L118 HydrophobicContact CG2-CB 4.15Å; E109-L118 HydrophobicContact CG-CD1 3.55Å; I114-L118 HydrophobicContact CG2-CD1 4.24Å; I114-L118 HydrophobicContact CG2-CG 4.25Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 3.2Å; K115-L118 PolarHBondContact O-N 3.23Å; L118-S121 PolarHBondContact O-N 3.47Å; L118-K122 WeakPolarHBondContact O-CB 3.44Å; L118-K122 WeakPolarHBondContact O-CG 3.34Å; L118-K122 PolarHBondContact O-N 2.87Å
119C92.9Very high91.6Very high6 Ų684.5 Ų84.54%0.04141%0.405CS..Hα-helixtrans-59.1-48.9175.4-1760000111V106 K115 Y117 S121 K122 I123V106-C119 HydrophobicContact CG1-CB 4.11Å; K115-C119 VanDerWaalsContact O-CB 3.22Å; K115-C119 WeakPolarHBondContact O-CB 3.31Å; K115-C119 PolarHBondContact O-N 3.11Å; Y117-C119 VanDerWaalsContact C-N 3.34Å; Y117-C119 PolarHBondContact O-N 2.93Å; C119-S121 PolarHBondContact O-N 3.33Å; C119-K122 PolarHBondContact O-N 3.43Å; C119-I123 VanDerWaalsContact O-CG1 3.26Å; C119-I123 WeakPolarHBondContact O-CG1 3.36Å; C119-I123 PolarHBondContact O-N 2.99Å
120R92.5Very high91.4Very high161 Ų16183 Ų8361%0.60840%0.397SS*.Hα-helixtrans-60.6-44.8176.2-75.4176.1-179.5-178.61.7111.8N116 Y117 K122 I123 L124N116-R120 WeakPolarHBondContact O-CB 3.41Å; N116-R120 VanDerWaalsContact O-CG 3.28Å; N116-R120 WeakPolarHBondContact O-CG 3.39Å; N116-R120 PolarHBondContact O-N 2.73Å; Y117-R120 PolarHBondContact O-N 3.29Å; R120-K122 VanDerWaalsContact C-N 3.35Å; R120-K122 PolarHBondContact O-N 2.78Å; R120-I123 PolarHBondContact O-N 3.46Å; R120-L124 WeakPolarHBondContact O-CB 3.5Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.36Å; R120-L124 PolarHBondContact O-N 3.4Å
121S93.6Very high91.3Very high47 Ų4774.6 Ų74.633%0.32937%0.365SS..Hα-helixtrans-59.2-44.2177.3-177.50000111.8Y117 L118 C119 L124 T125Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.24Å; L118-S121 PolarHBondContact O-N 3.47Å; C119-S121 PolarHBondContact O-N 3.33Å; S121-L124 PolarHBondContact O-N 2.85Å; S121-T125 WeakPolarHBondContact O-CB 3.37Å; S121-T125 WeakPolarHBondContact O-CG2 3.29Å; S121-T125 PolarHBondContact O-N 2.76Å; S121-T125 PolarHBondContact O-OG1 3.33Å
122K92.6Very high90.9Very high33 Ų3374.3 Ų74.314%0.14336%0.364CS..Hα-helixtrans-67.6-36.1176.7-72-177.4174.9-75.30113.8H103 V106 L118 C119 R120 T125 R126 S127 C128H103-K122 WeakPolarHBondContact CE1-CE 3.38Å; H103-K122 PolarHBondContact CE1-NZ 2.95Å; H103-K122 WeakPolarHBondContact NE2-CD 3.08Å; H103-K122 WeakPolarHBondContact NE2-CE 3.35Å; H103-K122 PolarHBondContact NE2-NZ 2.74Å; V106-K122 HydrophobicContact CG2-CD 3.69Å; L118-K122 WeakPolarHBondContact O-CB 3.44Å; L118-K122 WeakPolarHBondContact O-CG 3.34Å; L118-K122 PolarHBondContact O-N 2.87Å; C119-K122 PolarHBondContact O-N 3.43Å; R120-K122 VanDerWaalsContact C-N 3.35Å; R120-K122 PolarHBondContact O-N 2.78Å; K122-T125 WeakPolarHBondContact CA-OG1 3.45Å; K122-T125 PolarHBondContact O-OG1 3.42Å; K122-R126 PolarHBondContact O-N 3.04Å; K122-R126 VanDerWaalsContact O-N 3.08Å; K122-S127 WeakPolarHBondContact CA-OG 3.05Å; K122-S127 PolarHBondContact O-N 3.43Å; K122-S127 PolarHBondContact O-OG 2.8Å; K122-C128 HydrophobicContact CB-CB 4.02Å
123I91.4Very high90.4Very high38 Ų3874.8 Ų74.820%0.19536%0.363CS..Hα-helixtrans-66.4-46.3174.6-69.9165.9000110.2C119 R120 R126 Y131C119-I123 VanDerWaalsContact O-CG1 3.26Å; C119-I123 WeakPolarHBondContact O-CG1 3.36Å; C119-I123 PolarHBondContact O-N 2.99Å; R120-I123 PolarHBondContact O-N 3.46Å; I123-R126 PolarHBondContact O-N 3.32Å; I123-R126 VanDerWaalsContact O-N 3.12Å; I123-Y131 HydrophobicContact CD1-CD2 4.31Å; I123-Y131 HydrophobicContact CD1-CE2 4.47Å; I123-Y131 HydrophobicContact CG1-CD1 4.16Å; I123-Y131 HydrophobicContact CG1-CD2 4.23Å; I123-Y131 HydrophobicContact CG1-CE1 4.5Å; I123-Y131 HydrophobicContact CG1-CG 4.02Å; I123-Y131 HydrophobicContact CG2-CD1 4.18Å; I123-Y131 HydrophobicContact CG2-CE1 3.76Å
124L92.1Very high89.5Confident146 Ų14671.1 Ų71.176%0.76434%0.338SS*.Hα-helixtrans-63.3-43.3179.5-72.2169.8000111.9R120 S121 R126R120-L124 WeakPolarHBondContact O-CB 3.5Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.36Å; R120-L124 PolarHBondContact O-N 3.4Å; S121-L124 PolarHBondContact O-N 2.85Å; L124-R126 PolarHBondContact O-N 2.95Å
125T92.1Very high88.8Confident93 Ų9372.7 Ų72.757%0.57134%0.342SS*.THydrogen-bonded Turntrans-77-2.9176.1550000113.6S121 K122 S127S121-T125 WeakPolarHBondContact O-CB 3.37Å; S121-T125 WeakPolarHBondContact O-CG2 3.29Å; S121-T125 PolarHBondContact O-N 2.76Å; S121-T125 PolarHBondContact O-OG1 3.33Å; K122-T125 WeakPolarHBondContact CA-OG1 3.45Å; K122-T125 PolarHBondContact O-OG1 3.42Å; T125-S127 PolarHBondContact O-N 2.64Å; T125-S127 PolarHBondContact OG1-OG 3.18Å
126R89.1Confident87.6Confident192 Ų19274.5 Ų74.573%0.72536%0.357SS*.THydrogen-bonded Turntrans51.435.7-173.7-59.7-176.8174.8150.20.1113.1K122 I123 L124 L132K122-R126 PolarHBondContact O-N 3.04Å; K122-R126 VanDerWaalsContact O-N 3.08Å; I123-R126 PolarHBondContact O-N 3.32Å; I123-R126 VanDerWaalsContact O-N 3.12Å; L124-R126 PolarHBondContact O-N 2.95Å; R126-L132 HydrophobicContact CB-CD2 4.39Å; R126-L132 WeakPolarHBondContact O-CD1 3.01Å
127S90.1Very high86.4Confident64 Ų6474.2 Ų74.245%0.44835%0.354SS..  trans-97.2-5.2179.358.10000113.5K122 T125 K129K122-S127 WeakPolarHBondContact CA-OG 3.05Å; K122-S127 PolarHBondContact O-N 3.43Å; K122-S127 PolarHBondContact O-OG 2.8Å; T125-S127 PolarHBondContact O-N 2.64Å; T125-S127 PolarHBondContact OG1-OG 3.18Å; S127-K129 PolarHBondContact O-N 3.03Å
128C89.7Confident85Confident7 Ų769.6 Ų69.65%0.04734%0.34CS..  trans-87.7102.2177.8-172.70000111.5K122 Y130 Y131 L132K122-C128 HydrophobicContact CB-CB 4.02Å; C128-Y130 PolarHBondContact O-N 2.99Å; C128-Y131 PolarHBondContact O-N 2.89Å; C128-L132 WeakPolarHBondContact O-CG 3.05Å; C128-L132 PolarHBondContact O-N 3.48Å; C128-L132 VanDerWaalsContact O-N 3.17Å
129K88.3Confident83.6Confident97 Ų9770.9 Ų70.942%0.42235%0.35SS..Hα-helixtrans-51.3-51.9175.1-179.4179.7173.1-172.50112.2S127 Y131 L132 D133 E179S127-K129 PolarHBondContact O-N 3.03Å; K129-Y131 VanDerWaalsContact C-N 3.27Å; K129-Y131 PolarHBondContact O-N 3.37Å; K129-L132 PolarHBondContact O-N 2.92Å; K129-D133 WeakPolarHBondContact CE-OD2 3.25Å; K129-D133 VanDerWaalsContact CG-OD2 3.32Å; K129-D133 WeakPolarHBondContact CG-OD2 3.32Å; K129-D133 PolarHBondContact O-N 3.35Å; K129-E179 WeakPolarHBondContact CE-OE2 3.46Å; K129-E179 IonicContact NZ-OE1 2.79Å; K129-E179 PolarHBondContact NZ-OE1 3.34Å; K129-E179 IonicContact NZ-OE2 2.8Å; K129-E179 PolarHBondContact NZ-OE2 3.32Å
130Y87.3Confident82Confident42 Ų4277.1 Ų77.117%0.16537%0.373CS..Hα-helixtrans-57.9-34.8-177.5-52-82.4000114.4V102 H103 C128 H134 E179 A181V102-Y130 HydrophobicContact CG2-CD1 3.46Å; V102-Y130 VanDerWaalsContact CG2-CD1 3.46Å; V102-Y130 HydrophobicContact CG2-CD2 4.32Å; V102-Y130 HydrophobicContact CG2-CE1 3.93Å; V102-Y130 HydrophobicContact CG2-CG 3.68Å; H103-Y130 HydrophobicContact CB-CD2 3.88Å; H103-Y130 HydrophobicContact CB-CE2 3.99Å; H103-Y130 AromaticContact CD2-CD2 3.95Å; C128-Y130 PolarHBondContact O-N 2.99Å; Y130-H134 WeakPolarHBondContact O-CB 3.46Å; Y130-H134 PolarHBondContact O-N 3.17Å; Y130-E179 WeakPolarHBondContact CD1-O 3.33Å; Y130-E179 HydrophobicContact CE1-CB 4.46Å; Y130-A181 PolarHBondContact O-N 3.24Å
131Y86.1Confident80.3Confident67 Ų6775.8 Ų75.826%0.26337%0.369SS..Hα-helixtrans-76.4-38.7177.4175.8-100.5000111.8I123 C128 K129 K135I123-Y131 HydrophobicContact CD1-CD2 4.31Å; I123-Y131 HydrophobicContact CD1-CE2 4.47Å; I123-Y131 HydrophobicContact CG1-CD1 4.16Å; I123-Y131 HydrophobicContact CG1-CD2 4.23Å; I123-Y131 HydrophobicContact CG1-CE1 4.5Å; I123-Y131 HydrophobicContact CG1-CG 4.02Å; I123-Y131 HydrophobicContact CG2-CD1 4.18Å; I123-Y131 HydrophobicContact CG2-CE1 3.76Å; C128-Y131 PolarHBondContact O-N 2.89Å; K129-Y131 VanDerWaalsContact C-N 3.27Å; K129-Y131 PolarHBondContact O-N 3.37Å; Y131-K135 WeakPolarHBondContact O-CB 3.34Å; Y131-K135 PolarHBondContact O-N 3.24Å
132L84.8Confident78.6Confident68 Ų6879.3 Ų79.336%0.35638%0.383SS..Hα-helixtrans-67.9-43.7178.4-67.1176.6000111.5R126 C128 K129 K135 S136R126-L132 HydrophobicContact CB-CD2 4.39Å; R126-L132 WeakPolarHBondContact O-CD1 3.01Å; C128-L132 WeakPolarHBondContact O-CG 3.05Å; C128-L132 PolarHBondContact O-N 3.48Å; C128-L132 VanDerWaalsContact O-N 3.17Å; K129-L132 PolarHBondContact O-N 2.92Å; L132-K135 PolarHBondContact O-N 3.04Å; L132-S136 PolarHBondContact O-N 3.1Å
133D79.7Confident76.9Confident59 Ų5981.7 Ų81.732%0.31640%0.397SS..Hα-helixtrans-63.9-44.8178.3-70.4-15.2000110.4K129 K135 S136 M137K129-D133 WeakPolarHBondContact CE-OD2 3.25Å; K129-D133 VanDerWaalsContact CG-OD2 3.32Å; K129-D133 WeakPolarHBondContact CG-OD2 3.32Å; K129-D133 PolarHBondContact O-N 3.35Å; D133-K135 PolarHBondContact O-N 2.58Å; D133-S136 PolarHBondContact O-N 2.9Å; D133-S136 PolarHBondContact O-OG 3.17Å; D133-M137 PolarHBondContact O-N 3.27Å
134H74.4Confident75Confident23 Ų2384.6 Ų84.611%0.10641%0.408CS..Hα-helixtrans-59.4-43.4173177.5-111.1000112.9Y130 S136 M137 L138 A181Y130-H134 WeakPolarHBondContact O-CB 3.46Å; Y130-H134 PolarHBondContact O-N 3.17Å; H134-S136 VanDerWaalsContact C-N 3.33Å; H134-S136 PolarHBondContact O-N 3.17Å; H134-M137 WeakPolarHBondContact O-CB 2.94Å; H134-M137 PolarHBondContact O-N 3.26Å; H134-L138 WeakPolarHBondContact CE1-CD1 3.21Å; H134-L138 PolarHBondContact O-N 3.1Å; H134-A181 WeakPolarHBondContact CB-O 3.4Å; H134-A181 PolarHBondContact CD2-O 3.27Å; H134-A181 VanDerWaalsContact CD2-O 3.23Å; H134-A181 PolarHBondContact ND1-O 2.99Å
135K75.4Confident73Confident110 Ų11086 Ų8648%0.47841%0.409SS..Hα-helixtrans-63.7-39.8177.4-173.8178.8179.9-179.40112Y131 L132 D133 M137 L138 T139Y131-K135 WeakPolarHBondContact O-CB 3.34Å; Y131-K135 PolarHBondContact O-N 3.24Å; L132-K135 PolarHBondContact O-N 3.04Å; D133-K135 PolarHBondContact O-N 2.58Å; K135-M137 VanDerWaalsContact C-N 3.32Å; K135-L138 PolarHBondContact O-N 2.96Å; K135-T139 PolarHBondContact O-N 3.4Å; K135-T139 PolarHBondContact O-OG1 3.49Å
136S68.5Low71.3Confident50 Ų5087.7 Ų87.735%0.3541%0.413SS..Hα-helixtrans-61.5-45.4175.681.70000110L132 D133 H134 L138 T139 Y140L132-S136 PolarHBondContact O-N 3.1Å; D133-S136 PolarHBondContact O-N 2.9Å; D133-S136 PolarHBondContact O-OG 3.17Å; H134-S136 VanDerWaalsContact C-N 3.33Å; H134-S136 PolarHBondContact O-N 3.17Å; S136-L138 PolarHBondContact O-N 3.06Å; S136-T139 WeakPolarHBondContact O-CA 3.25Å; S136-T139 VanDerWaalsContact O-CB 3.32Å; S136-T139 WeakPolarHBondContact O-CB 3.45Å; S136-T139 PolarHBondContact O-N 3.21Å; S136-Y140 WeakPolarHBondContact O-CD2 3.49Å; S136-Y140 PolarHBondContact O-N 3.34Å
137M67.5Low69.8Low44 Ų4482.4 Ų82.422%0.21740%0.398CS..Hα-helixtrans-61.8-41.7178.1-168.9-172.9-177.800112.8D133 H134 K135 T139 Y140 R141 L158D133-M137 PolarHBondContact O-N 3.27Å; H134-M137 WeakPolarHBondContact O-CB 2.94Å; H134-M137 PolarHBondContact O-N 3.26Å; K135-M137 VanDerWaalsContact C-N 3.32Å; M137-T139 VanDerWaalsContact C-N 3.29Å; M137-T139 PolarHBondContact O-N 3.41Å; M137-Y140 PolarHBondContact O-N 3.44Å; M137-R141 PolarHBondContact O-N 3.03Å; M137-L158 HydrophobicContact CE-CD1 3.41Å; M137-L158 VanDerWaalsContact CE-CD1 3.41Å; M137-L158 HydrophobicContact CE-CD2 3.65Å; M137-L158 HydrophobicContact CE-CG 4.08Å; M137-L158 HydrophobicContact SD-CD1 4.44Å
138L64.7Low68.1Low67 Ų6783.5 Ų83.535%0.35140%0.404SS..Hα-helixtrans-63.2-36.7173.5-79.6169000112.2H134 K135 S136 R141 L142H134-L138 WeakPolarHBondContact CE1-CD1 3.21Å; H134-L138 PolarHBondContact O-N 3.1Å; K135-L138 PolarHBondContact O-N 2.96Å; S136-L138 PolarHBondContact O-N 3.06Å; L138-R141 PolarHBondContact O-N 3.12Å; L138-L142 WeakPolarHBondContact O-CG 3.23Å; L138-L142 PolarHBondContact O-N 3.08Å
139T62.6Low66.4Low74 Ų7491.1 Ų91.145%0.45444%0.443SS..Hα-helixtrans-66.2-42176.6-49.50000110.2K135 S136 M137 L142 L143K135-T139 PolarHBondContact O-N 3.4Å; K135-T139 PolarHBondContact O-OG1 3.49Å; S136-T139 WeakPolarHBondContact O-CA 3.25Å; S136-T139 VanDerWaalsContact O-CB 3.32Å; S136-T139 WeakPolarHBondContact O-CB 3.45Å; S136-T139 PolarHBondContact O-N 3.21Å; M137-T139 VanDerWaalsContact C-N 3.29Å; M137-T139 PolarHBondContact O-N 3.41Å; T139-L142 PolarHBondContact O-N 2.89Å; T139-L143 WeakPolarHBondContact O-CG 2.97Å; T139-L143 PolarHBondContact O-N 3.4Å
140Y59.8Low64.6Low137 Ų13792.7 Ų92.754%0.53746%0.455SS..Hα-helixtrans-66-37.5172.2-70.4-68.8000112.5S136 M137 L143 F144 F151S136-Y140 WeakPolarHBondContact O-CD2 3.49Å; S136-Y140 PolarHBondContact O-N 3.34Å; M137-Y140 PolarHBondContact O-N 3.44Å; Y140-L143 CarbonylContact O-C 3.53Å; Y140-L143 WeakPolarHBondContact O-CA 3.33Å; Y140-L143 WeakPolarHBondContact O-CB 3.29Å; Y140-L143 PolarHBondContact O-N 2.89Å; Y140-F144 WeakPolarHBondContact O-CB 3.12Å; Y140-F144 PolarHBondContact O-N 3.29Å; Y140-F151 HydrophobicContact CD1-CZ 4.24Å; Y140-F151 HydrophobicContact CE1-CZ 4.45Å
141R57.3Low62.6Low134 Ų13494.2 Ų94.251%0.50646%0.463SS..Hα-helixtrans-64.9-37.2174.3-88.6-176.2156.3176.5-3112.9M137 L138 L143 F144 F145M137-R141 PolarHBondContact O-N 3.03Å; L138-R141 PolarHBondContact O-N 3.12Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-F144 VanDerWaalsContact O-CB 3.24Å; R141-F144 WeakPolarHBondContact O-CB 3.37Å; R141-F144 PolarHBondContact O-N 2.85Å; R141-F145 VanDerWaalsContact O-CD2 3.25Å; R141-F145 WeakPolarHBondContact O-CD2 3.38Å; R141-F145 PolarHBondContact O-N 3.37Å
142L56.5Low60.7Low121 Ų12195.5 Ų95.563%0.63449%0.487SS*.Hα-helixtrans-67-36.7173.1-71.5169.2000111.2L138 T139 F144L138-L142 WeakPolarHBondContact O-CG 3.23Å; L138-L142 PolarHBondContact O-N 3.08Å; T139-L142 PolarHBondContact O-N 2.89Å; L142-F144 VanDerWaalsContact C-N 3.33Å
143L56.9Low58.9Low82 Ų82100.9 Ų100.943%0.42951%0.511SS..Hα-helixtrans-69.9-28.9170.5-72.5163.1000112.6T139 Y140 R141 F145 I146 I147T139-L143 WeakPolarHBondContact O-CG 2.97Å; T139-L143 PolarHBondContact O-N 3.4Å; Y140-L143 CarbonylContact O-C 3.53Å; Y140-L143 WeakPolarHBondContact O-CA 3.33Å; Y140-L143 WeakPolarHBondContact O-CB 3.29Å; Y140-L143 PolarHBondContact O-N 2.89Å; R141-L143 VanDerWaalsContact C-N 3.32Å; L143-F145 VanDerWaalsContact C-N 3.28Å; L143-F145 PolarHBondContact O-N 3.27Å; L143-I146 CarbonylContact O-C 3.44Å; L143-I146 WeakPolarHBondContact O-CA 3.49Å; L143-I146 WeakPolarHBondContact O-CB 3.41Å; L143-I146 PolarHBondContact O-N 3.39Å; L143-I147 PolarHBondContact O-N 3.02Å
144F51.3Low57.1Low99 Ų99107.4 Ų107.443%0.43453%0.531SS..Hα-helixtrans-64.4-31178.7-164.7-92.7000112.1Y140 R141 L142 I146 F151Y140-F144 WeakPolarHBondContact O-CB 3.12Å; Y140-F144 PolarHBondContact O-N 3.29Å; R141-F144 VanDerWaalsContact O-CB 3.24Å; R141-F144 WeakPolarHBondContact O-CB 3.37Å; R141-F144 PolarHBondContact O-N 2.85Å; L142-F144 VanDerWaalsContact C-N 3.33Å; F144-I146 VanDerWaalsContact C-N 3.26Å; F144-I146 PolarHBondContact O-N 2.81Å; F144-F151 HydrophobicContact CD2-CB 3.87Å; F144-F151 HydrophobicContact CE2-CB 3.83Å
145F50.3Low55.9Low177 Ų177108.9 Ų108.978%0.77654%0.544SS*.THydrogen-bonded Turntrans-72.2-19.7170.4-77.1-74.9000113.3R141 L143R141-F145 VanDerWaalsContact O-CD2 3.25Å; R141-F145 WeakPolarHBondContact O-CD2 3.38Å; R141-F145 PolarHBondContact O-N 3.37Å; L143-F145 VanDerWaalsContact C-N 3.28Å; L143-F145 PolarHBondContact O-N 3.27Å
146I56.7Low54.3Low127 Ų127108.4 Ų108.465%0.65155%0.552SS**THydrogen-bonded Turntrans-98.4-32.2-175.7-57.3174.5000111L143 F144L143-I146 CarbonylContact O-C 3.44Å; L143-I146 WeakPolarHBondContact O-CA 3.49Å; L143-I146 WeakPolarHBondContact O-CB 3.41Å; L143-I146 PolarHBondContact O-N 3.39Å; F144-I146 VanDerWaalsContact C-N 3.26Å; F144-I146 PolarHBondContact O-N 2.81Å
147I57.1Low53.3Low82 Ų82109.2 Ų109.242%0.42156%0.558SS.*  trans-136.177.4-176.8-46.3178.1000110.9L143 L149 L150L143-I147 PolarHBondContact O-N 3.02Å; I147-L149 PolarHBondContact O-N 2.93Å; I147-L150 HydrophobicContact CG2-CB 4.06Å; I147-L150 HydrophobicContact CG2-CD1 3.76Å
148P55Low52.2Low87 Ų87109.6 Ų109.657%0.56556%0.56SS**G310 helixtrans-62.6-25.1-179.3-21.933000113.9L150P148-L150 PolarHBondContact O-N 3.41Å
149L54.1Low51.2Low167 Ų167111.5 Ų111.587%0.87457%0.574SS**G310 helixtrans-79.1-14.5-169.2-77162.3000115I147I147-L149 PolarHBondContact O-N 2.93Å
150L50.4Low50.1Low130 Ų130110.7 Ų110.768%0.68157%0.572SS**G310 helixtrans-100-9.9-172.8-110123.8000115I147 P148I147-L150 HydrophobicContact CG2-CB 4.06Å; I147-L150 HydrophobicContact CG2-CD1 3.76Å; P148-L150 PolarHBondContact O-N 3.41Å
151F45.6Very low49.2Very low73 Ų73111.1 Ų111.132%0.3259%0.589SS.*  trans-129.914.2-169.6-81.4-88000114.8Y140 F144 E153 W154Y140-F151 HydrophobicContact CD1-CZ 4.24Å; Y140-F151 HydrophobicContact CE1-CZ 4.45Å; F144-F151 HydrophobicContact CD2-CB 3.87Å; F144-F151 HydrophobicContact CE2-CB 3.83Å; F151-E153 PolarHBondContact O-N 2.84Å; F151-W154 HydrophobicContact CD1-CB 3.79Å; F151-W154 HydrophobicContact CD1-CG 4.3Å; F151-W154 HydrophobicContact CE1-CB 4.49Å; F151-W154 PolarHBondContact O-N 3.16Å
152A46.6Very low48.4Very low94 Ų94107.5 Ų107.578%0.77758%0.584SS**THydrogen-bonded Turntrans-57.8-18175.400000113.8
153E46.7Very low48.3Very low181 Ų181110.6 Ų110.685%0.84660%0.602SS**THydrogen-bonded Turntrans-93.7-11.2177.5-72178.5157.500114.4F151F151-E153 PolarHBondContact O-N 2.84Å
154W41.8Very low48.4Very low197 Ų197115 Ų11575%0.74661%0.612SS**SBendtrans-109.790.8-172.5-97.574.9000111.7F151F151-W154 HydrophobicContact CD1-CB 3.79Å; F151-W154 HydrophobicContact CD1-CG 4.3Å; F151-W154 HydrophobicContact CE1-CB 4.49Å; F151-W154 PolarHBondContact O-N 3.16Å
155S49.8Very low49.1Very low54 Ų54116 Ų11638%0.37862%0.617SS.*  trans112.257.6163.7-47.50000117S157S155-S157 PolarHBondContact O-N 3.38Å
156P41.9Very low49.8Very low99 Ų99109 Ų10964%0.64359%0.589SS**THydrogen-bonded Turntrans-62.3-13158.926.9-32.1000112.9
157S46.7Very low50.4Low68 Ų68105.3 Ų105.348%0.47657%0.571SS.*THydrogen-bonded Turntrans-86.8-9.6-174.941.50000115.8S155S155-S157 PolarHBondContact O-N 3.38Å
158L45Very low51.2Low51 Ų51103 Ų10327%0.26756%0.559SS.*SBendtrans-97-8.9175.3-115.1112.2000114M137 S160 Y180M137-L158 HydrophobicContact CE-CD1 3.41Å; M137-L158 VanDerWaalsContact CE-CD1 3.41Å; M137-L158 HydrophobicContact CE-CD2 3.65Å; M137-L158 HydrophobicContact CE-CG 4.08Å; M137-L158 HydrophobicContact SD-CD1 4.44Å; L158-S160 PolarHBondContact O-N 3.47Å; L158-Y180 HydrophobicContact CD1-CE1 4.07Å
159V44.2Very low52.2Low107 Ų107106 Ų10665%0.64857%0.566SS**SBendtrans-85103.4160.7175.90000104.6T161V159-T161 PolarHBondContact O-N 3.31Å
160S39.2Very low53.3Low57 Ų57102.1 Ų102.140%0.39954%0.543SS..  trans-44.6110.7164.9173.10000107.2L158 S162 R164L158-S160 PolarHBondContact O-N 3.47Å; S160-S162 PolarHBondContact O-N 2.95Å; S160-S162 PolarHBondContact OG-N 3.43Å; S160-S162 PolarHBondContact OG-O 2.9Å; S160-S162 PolarHBondContact OG-OG 2.89Å; S160-R164 PolarHBondContact OG-O 3.46Å
161T39.9Very low54.4Low146 Ų14697.3 Ų97.390%0.89652%0.518SS*.SBendtrans-70.120.117645.70000111.8V159V159-T161 PolarHBondContact O-N 3.31Å
162S41.4Very low56Low59 Ų5995.1 Ų95.141%0.41351%0.51SS..SBendtrans-130.8136.6169.966.90000107.4S160 R164S160-S162 PolarHBondContact O-N 2.95Å; S160-S162 PolarHBondContact OG-N 3.43Å; S160-S162 PolarHBondContact OG-O 2.9Å; S160-S162 PolarHBondContact OG-OG 2.89Å; S162-R164 PolarHBondContact O-N 3.33Å
163D54Low57.6Low186 Ų18691.8 Ų91.8100%0.99549%0.485SS*.SBendtrans-64.522.7176.6-134.7-0.1000112.9
164R59.4Low59Low173 Ų17384.9 Ų84.965%0.65345%0.453SS*.SBendtrans-111.9128.9-174.7-176-176.2-66.7-109.60.5108.5S160 S162S160-R164 PolarHBondContact OG-O 3.46Å; S162-R164 PolarHBondContact O-N 3.33Å
165F64.7Low60.6Low121 Ų12175.6 Ų75.653%0.53142%0.419SS..  trans-68.2133.3169.8-73-84.2000109.5Q90Q90-F165 WeakPolarHBondContact O-CD2 3.37Å
166P65.2Low61.9Low29 Ų2979.2 Ų79.219%0.18843%0.428CS..  trans-66.3137.8178.228.1-34.4000110.2F93 E170 L171 L174F93-P166 WeakPolarHBondContact CE2-O 3.26Å; P166-E170 VanDerWaalsContact CA-OE2 3.24Å; P166-E170 WeakPolarHBondContact CA-OE2 3.41Å; P166-E170 HydrophobicContact CB-CB 3.81Å; P166-L171 HydrophobicContact CB-CD2 4.17Å; P166-L171 HydrophobicContact CB-CG 4.11Å; P166-L171 HydrophobicContact CG-CD2 3.62Å; P166-L171 HydrophobicContact CG-CG 3.97Å; P166-L174 HydrophobicContact CB-CD1 4.3Å
167D70.9Confident63.6Low50 Ų5083.2 Ų83.227%0.26743%0.43SS..  trans-73.1175.8169.671.922.2000111.6F93 E169 E170 L171F93-D167 HydrophobicContact CE2-CB 4.44Å; D167-E169 PolarHBondContact O-N 2.96Å; D167-E169 PolarHBondContact OD1-N 2.76Å; D167-E170 PolarHBondContact O-N 3.45Å; D167-E170 WeakPolarHBondContact OD1-CB 3.28Å; D167-E170 WeakPolarHBondContact OD1-CG 3.25Å; D167-E170 PolarHBondContact OD1-N 2.81Å; D167-L171 WeakPolarHBondContact O-CB 3.22Å; D167-L171 WeakPolarHBondContact O-CG 3.33Å; D167-L171 PolarHBondContact O-N 3.22Å
168I73.8Confident64.8Low33 Ų3383.5 Ų83.517%0.16942%0.424CS..Hα-helixtrans-62.6-32.8-177.9-164.6167.7000112.6Q99 L100 V172Q99-I168 HydrophobicContact CB-CD1 3.82Å; Q99-I168 HydrophobicContact CG-CD1 4.44Å; L100-I168 HydrophobicContact CD2-CD1 3.99Å; L100-I168 HydrophobicContact CD2-CG1 3.63Å; I168-V172 VanDerWaalsContact O-CG2 3.25Å; I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 2.97Å
169E75.8Confident66Low152 Ų15285.2 Ų85.271%0.7143%0.43SS*.Hα-helixtrans-75-39.5-180-62.6-174.1179.800110.6D167 V172 G173D167-E169 PolarHBondContact O-N 2.96Å; D167-E169 PolarHBondContact OD1-N 2.76Å; E169-V172 PolarHBondContact O-N 2.92Å; E169-G173 PolarHBondContact O-N 3.24Å
170E75.8Confident67.3Low84 Ų8480.7 Ų80.739%0.39340%0.402SS..Hα-helixtrans-63.5-41.4171.7-73.6-177.7-172.300111.4P166 D167 G173 L174P166-E170 VanDerWaalsContact CA-OE2 3.24Å; P166-E170 WeakPolarHBondContact CA-OE2 3.41Å; P166-E170 HydrophobicContact CB-CB 3.81Å; D167-E170 PolarHBondContact O-N 3.45Å; D167-E170 WeakPolarHBondContact OD1-CB 3.28Å; D167-E170 WeakPolarHBondContact OD1-CG 3.25Å; D167-E170 PolarHBondContact OD1-N 2.81Å; E170-G173 CarbonylContact O-C 3.58Å; E170-G173 PolarHBondContact O-N 3.49Å; E170-L174 WeakPolarHBondContact O-CB 3.21Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 3.45Å; E170-L174 PolarHBondContact O-N 3.49Å
171L74.4Confident68.4Low30 Ų3078 Ų7816%0.15738%0.383CS..Hα-helixtrans-62-46.9174.1-76.6173.1000111.6F93 P166 D167 G173 L174 G175F93-L171 HydrophobicContact CB-CD1 3.99Å; F93-L171 HydrophobicContact CD2-CD1 3.95Å; F93-L171 HydrophobicContact CG-CD1 4.41Å; P166-L171 HydrophobicContact CB-CD2 4.17Å; P166-L171 HydrophobicContact CB-CG 4.11Å; P166-L171 HydrophobicContact CG-CD2 3.62Å; P166-L171 HydrophobicContact CG-CG 3.97Å; D167-L171 WeakPolarHBondContact O-CB 3.22Å; D167-L171 WeakPolarHBondContact O-CG 3.33Å; D167-L171 PolarHBondContact O-N 3.22Å; L171-G173 VanDerWaalsContact C-N 3.28Å; L171-G173 PolarHBondContact O-N 3.33Å; L171-L174 PolarHBondContact O-N 3.45Å; L171-G175 PolarHBondContact O-N 3.4Å
172V78.7Confident69.3Low26 Ų2674.7 Ų74.716%0.15836%0.36CS..Hα-helixtrans-62.9-38.3174.61710000110.8Q99 L100 V102 I168 E169 G175 K176Q99-V172 WeakPolarHBondContact O-CG2 3.18Å; L100-V172 HydrophobicContact CD2-CG2 4.04Å; V102-V172 HydrophobicContact CG1-CG1 4.32Å; I168-V172 VanDerWaalsContact O-CG2 3.25Å; I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 2.97Å; E169-V172 PolarHBondContact O-N 2.92Å; V172-G175 PolarHBondContact O-N 3.25Å; V172-K176 HydrophobicContact CG1-CD 4.43Å; V172-K176 WeakPolarHBondContact O-CG 3.42Å; V172-K176 PolarHBondContact O-N 3.23Å
173G80.7Confident70.1Confident24 Ų2472.9 Ų72.925%0.24734%0.344CS..Hα-helixtrans-65.7-39.8175.600000112.9E169 E170 L171 K176 R177E169-G173 PolarHBondContact O-N 3.24Å; E170-G173 CarbonylContact O-C 3.58Å; E170-G173 PolarHBondContact O-N 3.49Å; L171-G173 VanDerWaalsContact C-N 3.28Å; L171-G173 PolarHBondContact O-N 3.33Å; G173-K176 PolarHBondContact O-N 2.88Å; G173-R177 WeakPolarHBondContact O-CB 3.47Å; G173-R177 VanDerWaalsContact O-CG 3.31Å; G173-R177 WeakPolarHBondContact O-CG 3.42Å; G173-R177 PolarHBondContact O-N 2.83Å
174L76.9Confident69.6Low36 Ų3673.2 Ų73.219%0.18835%0.345CS..Hα-helixtrans-64.3-46.8173.4-76.5167.7000110.8P166 E170 L171 K176 R177 H178P166-L174 HydrophobicContact CB-CD1 4.3Å; E170-L174 WeakPolarHBondContact O-CB 3.21Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 3.45Å; E170-L174 PolarHBondContact O-N 3.49Å; L171-L174 PolarHBondContact O-N 3.45Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 2.79Å; L174-R177 VanDerWaalsContact CD2-NH2 3.3Å; L174-R177 PolarHBondContact O-N 3.34Å; L174-R177 VanDerWaalsContact O-N 3.11Å; L174-H178 WeakPolarHBondContact O-CB 2.89Å; L174-H178 PolarHBondContact O-CD2 2.91Å; L174-H178 PolarHBondContact O-N 3.34Å
175G73.6Confident70.1Confident2 Ų268.2 Ų68.22%0.02133%0.329CS..Hα-helixtrans-61.1-35.4176.300000113.2L171 V172 E179 Y180L171-G175 PolarHBondContact O-N 3.4Å; V172-G175 PolarHBondContact O-N 3.25Å; G175-E179 CarbonylContact O-C 3.45Å; G175-E179 VanDerWaalsContact O-CA 3.29Å; G175-E179 WeakPolarHBondContact O-CA 3.45Å; G175-E179 PolarHBondContact O-N 3.13Å; G175-Y180 CarbonylContact C-O 3.55Å; G175-Y180 WeakPolarHBondContact CA-O 3.26Å; G175-Y180 PolarHBondContact O-N 2.84Å
176K78.9Confident70.3Confident131 Ų13165.4 Ų65.457%0.5732%0.319SS*.Hα-helixtrans-69.2-42.2171.8-74.3176.4-178.8177.10112.7V102 V172 G173 L174V102-K176 HydrophobicContact CB-CG 4.27Å; V102-K176 HydrophobicContact CG1-CG 4Å; V172-K176 HydrophobicContact CG1-CD 4.43Å; V172-K176 WeakPolarHBondContact O-CG 3.42Å; V172-K176 PolarHBondContact O-N 3.23Å; G173-K176 PolarHBondContact O-N 2.88Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 2.79Å
177R77Confident70.6Confident182 Ų18267.4 Ų67.469%0.68733%0.326SS*.Hα-helixtrans-68.7-40.4-178.5-79.8-172.1-70.3-177.3-2.4113G173 L174G173-R177 WeakPolarHBondContact O-CB 3.47Å; G173-R177 VanDerWaalsContact O-CG 3.31Å; G173-R177 WeakPolarHBondContact O-CG 3.42Å; G173-R177 PolarHBondContact O-N 2.83Å; L174-R177 VanDerWaalsContact CD2-NH2 3.3Å; L174-R177 PolarHBondContact O-N 3.34Å; L174-R177 VanDerWaalsContact O-N 3.11Å
178H72.5Confident70.6Confident75 Ų7568.5 Ų68.535%0.34733%0.329SS..THydrogen-bonded Turntrans-102.16.2-175.7-68.1-79.5000113.2L174 Y180L174-H178 WeakPolarHBondContact O-CB 2.89Å; L174-H178 PolarHBondContact O-CD2 2.91Å; L174-H178 PolarHBondContact O-N 3.34Å; H178-Y180 HydrophobicContact CB-CD1 3.26Å; H178-Y180 HydrophobicContact CB-CE1 3.17Å; H178-Y180 HydrophobicContact CB-CG 4.42Å; H178-Y180 AromaticContact CG-CE1 3.77Å; H178-Y180 PolarHBondContact O-N 2.92Å; H178-Y180 VanDerWaalsContact O-N 3.15Å
179E70.1Confident70.4Confident86 Ų8670.7 Ų70.740%0.40234%0.339SS..THydrogen-bonded Turntrans54.928.6178.8-56-170.7113.900115.2K129 Y130 G175K129-E179 WeakPolarHBondContact CE-OE2 3.46Å; K129-E179 IonicContact NZ-OE1 2.79Å; K129-E179 PolarHBondContact NZ-OE1 3.34Å; K129-E179 IonicContact NZ-OE2 2.8Å; K129-E179 PolarHBondContact NZ-OE2 3.32Å; Y130-E179 WeakPolarHBondContact CD1-O 3.33Å; Y130-E179 HydrophobicContact CE1-CB 4.46Å; G175-E179 CarbonylContact O-C 3.45Å; G175-E179 VanDerWaalsContact O-CA 3.29Å; G175-E179 WeakPolarHBondContact O-CA 3.45Å; G175-E179 PolarHBondContact O-N 3.13Å
180Y70.4Confident70.1Confident13 Ų1365.3 Ų65.35%0.05132%0.315CS..  trans-115.9158.2174.868.8-109.1000112L158 G175 H178 D182L158-Y180 HydrophobicContact CD1-CE1 4.07Å; G175-Y180 CarbonylContact C-O 3.55Å; G175-Y180 WeakPolarHBondContact CA-O 3.26Å; G175-Y180 PolarHBondContact O-N 2.84Å; H178-Y180 HydrophobicContact CB-CD1 3.26Å; H178-Y180 HydrophobicContact CB-CE1 3.17Å; H178-Y180 HydrophobicContact CB-CG 4.42Å; H178-Y180 AromaticContact CG-CE1 3.77Å; H178-Y180 PolarHBondContact O-N 2.92Å; H178-Y180 VanDerWaalsContact O-N 3.15Å; Y180-D182 HydrophobicContact CE2-CB 4.26Å; Y180-D182 WeakPolarHBondContact CE2-OD1 3.4Å; Y180-D182 WeakPolarHBondContact CE2-OD2 3.32Å
181A62.1Low69.7Low1 Ų163.9 Ų63.91%0.00831%0.309CS..  trans-106.411417300000110.1Y130 H134 W183Y130-A181 PolarHBondContact O-N 3.24Å; H134-A181 WeakPolarHBondContact CB-O 3.4Å; H134-A181 PolarHBondContact CD2-O 3.27Å; H134-A181 VanDerWaalsContact CD2-O 3.23Å; H134-A181 PolarHBondContact ND1-O 2.99Å; A181-W183 HydrophobicContact CB-CD2 3.79Å; A181-W183 HydrophobicContact CB-CE3 3.7Å; A181-W183 HydrophobicContact CB-CH2 3.33Å; A181-W183 HydrophobicContact CB-CZ2 3.46Å; A181-W183 VanDerWaalsContact CB-CZ2 3.46Å; A181-W183 HydrophobicContact CB-CZ3 3.42Å; A181-W183 VanDerWaalsContact CB-CZ3 3.42Å; A181-W183 PolarHBondContact O-N 3.29Å; A181-W183 VanDerWaalsContact O-N 3.1Å
182D59.7Low69.3Low76 Ų7666.5 Ų66.541%0.40632%0.321SS..  trans-73.27.9-178.4-98-18.2000114.9Y180Y180-D182 HydrophobicContact CE2-CB 4.26Å; Y180-D182 WeakPolarHBondContact CE2-OD1 3.4Å; Y180-D182 WeakPolarHBondContact CE2-OD2 3.32Å
183W58.3Low68.5Low20 Ų2069.9 Ų69.98%0.07633%0.334CS..  trans-97.3132.1-177.863.974.3000112.2L100 C101 V102 A181L100-W183 HydrophobicContact CB-CE3 3.93Å; L100-W183 WeakPolarHBondContact O-CZ3 3.39Å; C101-W183 VanDerWaalsContact CA-CH2 3.47Å; C101-W183 VanDerWaalsContact CA-CZ3 3.45Å; C101-W183 HydrophobicContact CB-CH2 4.13Å; C101-W183 HydrophobicContact CB-CZ3 4.49Å; V102-W183 HydrophobicContact CG2-CH2 3.93Å; V102-W183 HydrophobicContact CG2-CZ3 4.08Å; A181-W183 HydrophobicContact CB-CD2 3.79Å; A181-W183 HydrophobicContact CB-CE3 3.7Å; A181-W183 HydrophobicContact CB-CH2 3.33Å; A181-W183 HydrophobicContact CB-CZ2 3.46Å; A181-W183 VanDerWaalsContact CB-CZ2 3.46Å; A181-W183 HydrophobicContact CB-CZ3 3.42Å; A181-W183 VanDerWaalsContact CB-CZ3 3.42Å; A181-W183 PolarHBondContact O-N 3.29Å; A181-W183 VanDerWaalsContact O-N 3.1Å
184L41.9Very low67.4Low193 Ų19374.1 Ų74.1100%1.0134%0.342SS*.  trans-64.40162.7-73.2161.4000110.7

Retrieved 184 of 184 residues in 85 ms (Link to these results)