A0A3B3V1E1_9TELE Loading...

Protein tyrosine phosphatase 4A1

AlphaFold DB , UniProt , Accession A0A3B3V1E1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 163 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
1M50.4Low85Confident245 Ų24567.8 Ų67.8100%1.20739%0.386SS*.  0125.70-76.2175.9169.800107.5
2G63.4Low85.4Confident42 Ų4266.4 Ų66.443%0.43338%0.377SS..PPolyproline II helixtrans-68.9168.6176.300000111.8
3P74.6Confident86.2Confident58 Ų5861.3 Ų61.338%0.37735%0.348SS..PPolyproline II helixtrans-60.3146.117224.8-31.9000110.7H19P3-H19 PolarHBondContact O-ND1 2.75Å
4A84.8Confident87Confident74 Ų7461.6 Ų61.661%0.61234%0.341SS*.PPolyproline II helixtrans-56.1147.9177.800000111.6R133A4-R133 PolarHBondContact O-NH1 3.46Å
5P92.3Very high87.8Confident23 Ų2357.5 Ų57.515%0.14932%0.318CS..PPolyproline II helixtrans-61.1148.1172.232.3-40.2000110.2L16 I17 T18 E32 Y36P5-L16 HydrophobicContact CB-CD1 4.03Å; P5-L16 HydrophobicContact CB-CG 4.29Å; P5-I17 WeakPolarHBondContact CA-O 3.48Å; P5-T18 HydrophobicContact CB-CG2 4.12Å; P5-E32 HydrophobicContact CG-CG 4.41Å; P5-E32 WeakPolarHBondContact CG-OE1 3.42Å; P5-Y36 HydrophobicContact CG-CE2 4.17Å
6V94.3Very high88.4Confident16 Ų1653.9 Ų53.910%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-121.6117.1-179.7170.60000109.6I8 I17 K132 R133V6-I8 HydrophobicContact CG1-CD1 3.85Å; V6-I8 HydrophobicContact CG1-CG1 4.28Å; V6-I17 HydrophobicContact CB-CB 4.46Å; V6-I17 PolarHBondContact N-O 2.91Å; V6-I17 PolarHBondContact O-N 2.89Å; V6-K132 HydrophobicContact CG1-CB 3.45Å; V6-K132 VanDerWaalsContact CG1-CB 3.45Å; V6-K132 HydrophobicContact CG1-CG 4.49Å; V6-R133 HydrophobicContact CG1-CB 4.44Å; V6-R133 HydrophobicContact CG2-CB 4.24Å
7E96.6Very high88.8Confident63 Ų6350.7 Ų50.729%0.29428%0.28SS..EExtended strand (participates in β ladder)trans-86.1132172.5-169.5178-155.200110.7R14 F15 L16 Y36E7-R14 IonicContact OE1-CZ 2.75Å; E7-R14 VanDerWaalsContact OE1-CZ 3.3Å; E7-R14 IonicContact OE1-NE 3.3Å; E7-R14 PolarHBondContact OE1-NE 3.12Å; E7-R14 IonicContact OE1-NH2 3.1Å; E7-R14 PolarHBondContact OE1-NH2 3.46Å; E7-F15 CarbonylContact C-O 3.55Å; E7-F15 VanDerWaalsContact CA-O 3.29Å; E7-F15 WeakPolarHBondContact CA-O 3.4Å; E7-L16 HydrophobicContact CB-CD1 4.1Å; E7-Y36 HydrophobicContact CB-CE1 4.37Å
8I97.1Very high89Confident1 Ų147.9 Ų47.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-120.3117.8174-56.4-63000107.7V6 F15 I17 V111 F128 I129 K132V6-I8 HydrophobicContact CG1-CD1 3.85Å; V6-I8 HydrophobicContact CG1-CG1 4.28Å; I8-F15 HydrophobicContact CB-CB 4.39Å; I8-F15 PolarHBondContact N-O 3.5Å; I8-F15 PolarHBondContact O-N 3.12Å; I8-I17 HydrophobicContact CG1-CD1 4.26Å; I8-V111 HydrophobicContact CB-CG1 4.15Å; I8-V111 HydrophobicContact CG1-CG1 4.33Å; I8-V111 HydrophobicContact CG2-CG1 3.94Å; I8-F128 HydrophobicContact CG2-CD1 4.02Å; I8-F128 HydrophobicContact CG2-CE1 3.63Å; I8-I129 HydrophobicContact CD1-CG1 4.43Å; I8-K132 HydrophobicContact CD1-CB 3.81Å; I8-K132 HydrophobicContact CD1-CG 3.85Å
9T96.8Very high89Confident70 Ų7047.8 Ų47.843%0.42926%0.262SS..EExtended strand (participates in β ladder)trans-115.3129.3177.7-55.90000109.6M13 R14 F128T9-M13 WeakPolarHBondContact CA-O 3.49Å; T9-R14 HydrophobicContact CG2-CG 3.93Å; T9-F128 WeakPolarHBondContact O-CZ 3.44Å
10Y94.9Very high89.1Confident53 Ų5346.7 Ų46.721%0.20826%0.256CS..EExtended strand (participates in β ladder)trans-145.1119.4174.5-175.7-106.8000110.3N12 M13 L115 C118 M120Y10-N12 PolarHBondContact O-N 3.16Å; Y10-M13 HydrophobicContact CD1-CE 4.3Å; Y10-M13 PolarHBondContact N-O 3.26Å; Y10-M13 WeakPolarHBondContact O-CB 3.21Å; Y10-M13 PolarHBondContact O-N 2.99Å; Y10-L115 HydrophobicContact CD1-CD2 3.69Å; Y10-L115 HydrophobicContact CD2-CD2 4.3Å; Y10-L115 HydrophobicContact CG-CD2 3.51Å; Y10-C118 HydrophobicContact CD1-CB 4.13Å; Y10-C118 HydrophobicContact CE1-CB 3.63Å; Y10-M120 HydrophobicContact CD2-CE 3.53Å; Y10-M120 HydrophobicContact CE1-CE 4.37Å; Y10-M120 HydrophobicContact CE2-CE 3.25Å; Y10-M120 HydrophobicContact CG-CE 4.22Å
11K90.1Very high89.2Confident101 Ų10144.5 Ų44.544%0.43924%0.244SC..THydrogen-bonded Turntrans55.1-125.4-170.6-63.1174.3172.1-174.90109.3C161K11-C161 HydrophobicContact CD-CB 3.37Å; K11-C161 VanDerWaalsContact CD-SG 3.54Å; K11-C161 PolarHBondContact NZ-SG 3.45Å
12N89.5Confident91.1Very high51 Ų5136.7 Ų36.727%0.27321%0.21SC..THydrogen-bonded Turntrans-92.31.7178.872.9-48.7000113.5Y10 C161 I162Y10-N12 PolarHBondContact O-N 3.16Å; N12-C161 PolarHBondContact OD1-O 2.86Å; N12-I162 WeakPolarHBondContact ND2-CB 3.33Å; N12-I162 WeakPolarHBondContact ND2-CG2 3.42Å; N12-I162 PolarHBondContact ND2-O 3.18Å; N12-I162 WeakPolarHBondContact OD1-CA 3.48Å; N12-I162 WeakPolarHBondContact OD1-CB 3.41Å; N12-I162 PolarHBondContact OD1-N 2.73Å; N12-I162 PolarHBondContact OD1-O 3.02Å; N12-I162 VanDerWaalsContact OD1-O 3.12Å
13M95.5Very high92.3Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-91.4135.1178.6-56.8-169-64.300110.9T9 Y10 F15 L84 F88 A114 C118 L154 I162T9-M13 WeakPolarHBondContact CA-O 3.49Å; Y10-M13 HydrophobicContact CD1-CE 4.3Å; Y10-M13 PolarHBondContact N-O 3.26Å; Y10-M13 WeakPolarHBondContact O-CB 3.21Å; Y10-M13 PolarHBondContact O-N 2.99Å; M13-F15 HydrophobicContact CB-CE2 3.68Å; M13-F15 HydrophobicContact CB-CZ 3.82Å; M13-F15 HydrophobicContact CE-CE2 4.05Å; M13-F15 HydrophobicContact CE-CZ 4.1Å; M13-F15 HydrophobicContact CG-CZ 4.4Å; M13-F15 HydrophobicContact SD-CE2 4.28Å; M13-F15 HydrophobicContact SD-CZ 3.81Å; M13-L84 HydrophobicContact SD-CD1 4.17Å; M13-F88 HydrophobicContact CB-CD2 3.89Å; M13-F88 HydrophobicContact CB-CE1 4.41Å; M13-F88 HydrophobicContact CB-CE2 3.52Å; M13-F88 HydrophobicContact CB-CG 4.44Å; M13-F88 HydrophobicContact CB-CZ 3.83Å; M13-F88 HydrophobicContact CG-CD2 3.45Å; M13-F88 VanDerWaalsContact CG-CD2 3.45Å; M13-F88 HydrophobicContact CG-CE2 3.55Å; M13-F88 HydrophobicContact CG-CG 4.11Å; M13-F88 HydrophobicContact CG-CZ 4.33Å; M13-F88 HydrophobicContact SD-CD2 3.94Å; M13-F88 HydrophobicContact SD-CE2 3.89Å; M13-A114 HydrophobicContact CE-CB 4.3Å; M13-C118 HydrophobicContact CE-CB 4.44Å; M13-C118 WeakPolarHBondContact CE-SG 3.39Å; M13-L154 HydrophobicContact SD-CD1 4.26Å; M13-I162 HydrophobicContact CG-CD1 3.75Å; M13-I162 HydrophobicContact SD-CD1 3.61Å
14R97.9Very high93.1Very high65 Ų6541.7 Ų41.725%0.24524%0.237CC..EExtended strand (participates in β ladder)trans-126127174.2-64.7172.861-147-6109.7E7 T9 Y36 F88 G93 C95 I96E7-R14 IonicContact OE1-CZ 2.75Å; E7-R14 VanDerWaalsContact OE1-CZ 3.3Å; E7-R14 IonicContact OE1-NE 3.3Å; E7-R14 PolarHBondContact OE1-NE 3.12Å; E7-R14 IonicContact OE1-NH2 3.1Å; E7-R14 PolarHBondContact OE1-NH2 3.46Å; T9-R14 HydrophobicContact CG2-CG 3.93Å; R14-Y36 PolarHBondContact NH2-O 2.59Å; R14-F88 WeakPolarHBondContact O-CZ 3.38Å; R14-G93 PolarHBondContact NH1-O 3.36Å; R14-C95 HydrophobicContact CB-CB 4.2Å; R14-C95 WeakPolarHBondContact O-CA 3.29Å; R14-I96 PolarHBondContact O-N 3.16Å
15F98.3Very high93.4Very high0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-121.8144.5179.1-53.7-78.1000110.8E7 I8 M13 W80 L84 F88 I96 V111 A114E7-F15 CarbonylContact C-O 3.55Å; E7-F15 VanDerWaalsContact CA-O 3.29Å; E7-F15 WeakPolarHBondContact CA-O 3.4Å; I8-F15 HydrophobicContact CB-CB 4.39Å; I8-F15 PolarHBondContact N-O 3.5Å; I8-F15 PolarHBondContact O-N 3.12Å; M13-F15 HydrophobicContact CB-CE2 3.68Å; M13-F15 HydrophobicContact CB-CZ 3.82Å; M13-F15 HydrophobicContact CE-CE2 4.05Å; M13-F15 HydrophobicContact CE-CZ 4.1Å; M13-F15 HydrophobicContact CG-CZ 4.4Å; M13-F15 HydrophobicContact SD-CE2 4.28Å; M13-F15 HydrophobicContact SD-CZ 3.81Å; F15-W80 AromaticContact CD1-CH2 3.76Å; F15-W80 HydrophobicContact CD1-CH2 3.76Å; F15-W80 HydrophobicContact CD1-CZ2 4.02Å; F15-W80 AromaticContact CE1-CH2 3.6Å; F15-W80 HydrophobicContact CE1-CH2 3.6Å; F15-W80 AromaticContact CE1-CZ2 3.56Å; F15-W80 HydrophobicContact CE1-CZ2 3.56Å; F15-W80 HydrophobicContact CZ-CZ2 4.32Å; F15-L84 HydrophobicContact CE1-CD1 3.88Å; F15-L84 HydrophobicContact CE1-CD2 3.68Å; F15-L84 HydrophobicContact CE1-CG 4.43Å; F15-L84 HydrophobicContact CZ-CD1 3.77Å; F15-L84 HydrophobicContact CZ-CD2 4.34Å; F15-F88 HydrophobicContact CD1-CZ 4.22Å; F15-F88 AromaticContact CE1-CE2 3.69Å; F15-F88 HydrophobicContact CE1-CE2 3.69Å; F15-F88 AromaticContact CE1-CZ 3.78Å; F15-F88 HydrophobicContact CE1-CZ 3.78Å; F15-F88 AromaticContact CZ-CE2 3.75Å; F15-F88 HydrophobicContact CZ-CE2 3.75Å; F15-F88 HydrophobicContact CZ-CZ 4.08Å; F15-I96 CarbonylContact C-O 3.48Å; F15-I96 VanDerWaalsContact CA-O 3.24Å; F15-I96 WeakPolarHBondContact CA-O 3.22Å; F15-I96 HydrophobicContact CD1-CB 4.39Å; F15-V111 HydrophobicContact CB-CG1 4.26Å; F15-V111 HydrophobicContact CB-CG2 4.09Å; F15-V111 HydrophobicContact CD2-CG1 3.87Å; F15-V111 HydrophobicContact CE2-CG1 4.47Å; F15-V111 HydrophobicContact CG-CG1 4.12Å; F15-V111 HydrophobicContact CG-CG2 4.23Å; F15-A114 HydrophobicContact CE1-CB 4.43Å; F15-A114 HydrophobicContact CE2-CB 4.15Å; F15-A114 HydrophobicContact CZ-CB 3.66Å
16L97.6Very high93.5Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-120.1111.5173.7-16771.6000110.5P5 E7 T18 L33 Y36 V38 I96 A97 V98P5-L16 HydrophobicContact CB-CD1 4.03Å; P5-L16 HydrophobicContact CB-CG 4.29Å; E7-L16 HydrophobicContact CB-CD1 4.1Å; L16-T18 HydrophobicContact CB-CG2 4.44Å; L16-T18 HydrophobicContact CD2-CG2 3.57Å; L16-T18 HydrophobicContact CG-CG2 3.64Å; L16-T18 PolarHBondContact O-N 3.46Å; L16-L33 HydrophobicContact CD2-CD2 4.2Å; L16-Y36 HydrophobicContact CD1-CD1 3.83Å; L16-Y36 HydrophobicContact CD1-CD2 3.91Å; L16-Y36 HydrophobicContact CD1-CE1 4Å; L16-Y36 HydrophobicContact CD1-CE2 4.09Å; L16-Y36 HydrophobicContact CD1-CG 3.79Å; L16-Y36 HydrophobicContact CD2-CD2 3.65Å; L16-Y36 HydrophobicContact CD2-CE2 4.35Å; L16-Y36 HydrophobicContact CD2-CG 3.89Å; L16-Y36 HydrophobicContact CG-CD2 4.46Å; L16-Y36 HydrophobicContact CG-CG 4.46Å; L16-V38 HydrophobicContact CB-CG2 4.24Å; L16-V38 HydrophobicContact CD2-CG2 3.89Å; L16-I96 PolarHBondContact N-O 2.87Å; L16-A97 HydrophobicContact CB-CB 4.14Å; L16-A97 CarbonylContact O-C 3.58Å; L16-A97 WeakPolarHBondContact O-CA 3.46Å; L16-V98 PolarHBondContact O-N 3.32Å
17I95.2Very high93.6Very high0 Ų044.2 Ų44.20%024%0.241CC..EExtended strand (participates in β ladder)trans-88.4109.7174-57175.1000108.1P5 V6 I8 V98 A107 P108 V111 I129P5-I17 WeakPolarHBondContact CA-O 3.48Å; V6-I17 HydrophobicContact CB-CB 4.46Å; V6-I17 PolarHBondContact N-O 2.91Å; V6-I17 PolarHBondContact O-N 2.89Å; I8-I17 HydrophobicContact CG1-CD1 4.26Å; I17-V98 WeakPolarHBondContact CA-O 3.14Å; I17-A107 HydrophobicContact CG2-CB 4.2Å; I17-P108 HydrophobicContact CD1-CG 4.2Å; I17-V111 HydrophobicContact CD1-CG2 4.1Å; I17-V111 HydrophobicContact CG1-CG2 4.07Å; I17-I129 HydrophobicContact CD1-CG2 4.46Å
18T92.9Very high93.5Very high0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-110.7171.7-177.570.80000112.1P5 L16 F29 V98 H99P5-T18 HydrophobicContact CB-CG2 4.12Å; L16-T18 HydrophobicContact CB-CG2 4.44Å; L16-T18 HydrophobicContact CD2-CG2 3.57Å; L16-T18 HydrophobicContact CG-CG2 3.64Å; L16-T18 PolarHBondContact O-N 3.46Å; T18-F29 HydrophobicContact CG2-CE2 4.18Å; T18-V98 PolarHBondContact N-O 2.93Å; T18-H99 WeakPolarHBondContact OG1-CB 3.24Å
19H89.4Confident93.4Very high46 Ų4648.9 Ų48.921%0.21326%0.26CS..PPolyproline II helixtrans-87.1161.9165.363.6-80.5000110P3P3-H19 PolarHBondContact O-ND1 2.75Å
20N89.8Confident93.4Very high26 Ų2646 Ų4614%0.13924%0.242CC..PPolyproline II helixtrans-69.3124.9173.6-163.632.6000110.4T48 H99 C100 V101N20-T48 PolarHBondContact ND2-OG1 3.02Å; N20-T48 PolarHBondContact OD1-OG1 3.32Å; N20-H99 PolarHBondContact OD1-CE1 3.46Å; N20-H99 PolarHBondContact OD1-ND1 3.24Å; N20-C100 WeakPolarHBondContact CB-O 3.27Å; N20-V101 VanDerWaalsContact CB-O 3.28Å; N20-V101 WeakPolarHBondContact CB-O 3.46Å; N20-V101 PolarHBondContact N-O 3.12Å; N20-V101 VanDerWaalsContact N-O 3.11Å
21P91.9Very high93.5Very high1 Ų149.6 Ų49.61%0.00626%0.261CS..PPolyproline II helixtrans-72.7163.6173.733.5-37.1000111L26 F29 Y49P21-L26 HydrophobicContact CB-CD1 4.4Å; P21-L26 HydrophobicContact CG-CD1 4.13Å; P21-F29 HydrophobicContact CB-CB 3.87Å; P21-F29 HydrophobicContact CB-CD1 4.06Å; P21-F29 HydrophobicContact CB-CD2 4.28Å; P21-F29 HydrophobicContact CB-CG 3.82Å; P21-F29 HydrophobicContact CG-CB 4.46Å; P21-F29 HydrophobicContact CG-CD1 3.7Å; P21-F29 HydrophobicContact CG-CD2 4.39Å; P21-F29 HydrophobicContact CG-CE1 3.91Å; P21-F29 HydrophobicContact CG-CG 3.94Å; P21-F29 HydrophobicContact CG-CZ 4.36Å; P21-Y49 HydrophobicContact CG-CD1 3.55Å; P21-Y49 HydrophobicContact CG-CD2 4.39Å; P21-Y49 HydrophobicContact CG-CE1 3.44Å; P21-Y49 VanDerWaalsContact CG-CE1 3.44Å; P21-Y49 HydrophobicContact CG-CE2 4.33Å; P21-Y49 HydrophobicContact CG-CG 4.03Å
22T89.6Confident93.8Very high80 Ų8047.3 Ų47.349%0.49125%0.251SS..PPolyproline II helixtrans-102.8165161.569.90000109.2A24 T25 L26T22-A24 PolarHBondContact O-N 3.22Å; T22-A24 VanDerWaalsContact O-N 3.14Å; T22-A24 PolarHBondContact OG1-N 3.25Å; T22-T25 PolarHBondContact N-OG1 3.44Å; T22-T25 CarbonylContact O-C 3.49Å; T22-T25 PolarHBondContact O-N 3.05Å; T22-T25 PolarHBondContact O-OG1 3.06Å; T22-T25 PolarHBondContact OG1-N 2.68Å; T22-T25 PolarHBondContact OG1-OG1 3.01Å; T22-L26 PolarHBondContact O-N 3.36Å
23N88.7Confident94.2Very high110 Ų11044.9 Ų44.959%0.58824%0.238SC*.G310 helixtrans-55-33.3173.9-68-29.4000112.1Y49N23-Y49 WeakPolarHBondContact OD1-CA 3.48Å; N23-Y49 WeakPolarHBondContact OD1-CB 3.33Å
24A91Very high94.3Very high96 Ų9649.8 Ų49.879%0.79326%0.26SS*.G310 helixtrans-72.7-24.917800000113.9T22T22-A24 PolarHBondContact O-N 3.22Å; T22-A24 VanDerWaalsContact O-N 3.14Å; T22-A24 PolarHBondContact OG1-N 3.25Å
25T92.7Very high94.3Very high55 Ų5554.8 Ų54.834%0.33728%0.283SS..G310 helixtrans-105.24.1-179.665.50000113.3T22 N27 K28 F29T22-T25 PolarHBondContact N-OG1 3.44Å; T22-T25 CarbonylContact O-C 3.49Å; T22-T25 PolarHBondContact O-N 3.05Å; T22-T25 PolarHBondContact O-OG1 3.06Å; T22-T25 PolarHBondContact OG1-N 2.68Å; T22-T25 PolarHBondContact OG1-OG1 3.01Å; T25-N27 PolarHBondContact O-N 2.8Å; T25-K28 PolarHBondContact O-N 3.31Å; T25-F29 PolarHBondContact O-N 3.38Å
26L94.1Very high94.3Very high5 Ų557.4 Ų57.43%0.02629%0.294CS..Hα-helixtrans-62.7-38.8-171.2-171.257000113.1P21 T22 F29 I30 Y49 D50 L53 V54P21-L26 HydrophobicContact CB-CD1 4.4Å; P21-L26 HydrophobicContact CG-CD1 4.13Å; T22-L26 PolarHBondContact O-N 3.36Å; L26-F29 HydrophobicContact CD1-CD1 4.07Å; L26-F29 WeakPolarHBondContact O-CB 3.48Å; L26-F29 PolarHBondContact O-N 3.47Å; L26-I30 HydrophobicContact CG-CD1 4.28Å; L26-I30 WeakPolarHBondContact O-CG1 3.47Å; L26-I30 PolarHBondContact O-N 3.1Å; L26-Y49 HydrophobicContact CD1-CD2 3.62Å; L26-Y49 HydrophobicContact CD1-CE2 3.82Å; L26-Y49 HydrophobicContact CD1-CG 4.35Å; L26-Y49 HydrophobicContact CD2-CD2 4.16Å; L26-D50 WeakPolarHBondContact CD2-O 3.47Å; L26-L53 HydrophobicContact CD2-CB 4.21Å; L26-L53 HydrophobicContact CD2-CD1 4.09Å; L26-V54 HydrophobicContact CD1-CG2 3.8Å
27N95.7Very high94.3Very high106 Ų10659 Ų5957%0.56731%0.31SS*.Hα-helixtrans-63-45.1176.3-69.6-37.8000112.1T25 F29 I30 E31T25-N27 PolarHBondContact O-N 2.8Å; N27-F29 VanDerWaalsContact C-N 3.28Å; N27-F29 PolarHBondContact O-N 3.26Å; N27-I30 PolarHBondContact O-N 3.25Å; N27-E31 WeakPolarHBondContact O-CG 3.45Å; N27-E31 PolarHBondContact O-N 2.94Å
28K94.9Very high94.4Very high155 Ų15559.3 Ų59.367%0.67431%0.312SS*.Hα-helixtrans-63.9-36.6175.8-66.1-176.6178.8-179.40111.8T25 E31 E32T25-K28 PolarHBondContact O-N 3.31Å; K28-E31 PolarHBondContact O-N 3.08Å; K28-E32 WeakPolarHBondContact O-CB 3.22Å; K28-E32 PolarHBondContact O-N 3.45Å
29F95.3Very high94.7Very high6 Ų661.1 Ų61.13%0.02632%0.323CS..Hα-helixtrans-62.6-45.7174.4177.8-112.4000111.2T18 P21 T25 L26 N27 E31 E32 L33T18-F29 HydrophobicContact CG2-CE2 4.18Å; P21-F29 HydrophobicContact CB-CB 3.87Å; P21-F29 HydrophobicContact CB-CD1 4.06Å; P21-F29 HydrophobicContact CB-CD2 4.28Å; P21-F29 HydrophobicContact CB-CG 3.82Å; P21-F29 HydrophobicContact CG-CB 4.46Å; P21-F29 HydrophobicContact CG-CD1 3.7Å; P21-F29 HydrophobicContact CG-CD2 4.39Å; P21-F29 HydrophobicContact CG-CE1 3.91Å; P21-F29 HydrophobicContact CG-CG 3.94Å; P21-F29 HydrophobicContact CG-CZ 4.36Å; T25-F29 PolarHBondContact O-N 3.38Å; L26-F29 HydrophobicContact CD1-CD1 4.07Å; L26-F29 WeakPolarHBondContact O-CB 3.48Å; L26-F29 PolarHBondContact O-N 3.47Å; N27-F29 VanDerWaalsContact C-N 3.28Å; N27-F29 PolarHBondContact O-N 3.26Å; F29-E31 PolarHBondContact O-N 3.45Å; F29-E32 WeakPolarHBondContact O-CB 3.13Å; F29-E32 PolarHBondContact O-N 2.97Å; F29-L33 HydrophobicContact CD1-CD1 3.93Å; F29-L33 HydrophobicContact CD1-CG 4.32Å; F29-L33 HydrophobicContact CD2-CG 4.48Å; F29-L33 HydrophobicContact CE1-CD1 3.49Å; F29-L33 VanDerWaalsContact CE1-CD1 3.49Å; F29-L33 HydrophobicContact CE1-CD2 4.4Å; F29-L33 HydrophobicContact CE1-CG 4.06Å; F29-L33 HydrophobicContact CE2-CD1 4.47Å; F29-L33 HydrophobicContact CE2-CD2 3.98Å; F29-L33 HydrophobicContact CE2-CG 4.18Å; F29-L33 HydrophobicContact CZ-CD1 3.8Å; F29-L33 HydrophobicContact CZ-CD2 3.85Å; F29-L33 HydrophobicContact CZ-CG 3.98Å; F29-L33 VanDerWaalsContact O-CG 3.31Å; F29-L33 WeakPolarHBondContact O-CG 3.48Å; F29-L33 PolarHBondContact O-N 3.05Å
30I97.1Very high95.1Very high9 Ų959 Ų595%0.04631%0.313CS..Hα-helixtrans-60.4-44.9175.8-68.9164.4000111.3L26 N27 E32 L33 K34 L53 V54 E57L26-I30 HydrophobicContact CG-CD1 4.28Å; L26-I30 WeakPolarHBondContact O-CG1 3.47Å; L26-I30 PolarHBondContact O-N 3.1Å; N27-I30 PolarHBondContact O-N 3.25Å; I30-E32 VanDerWaalsContact C-N 3.3Å; I30-E32 PolarHBondContact O-N 2.83Å; I30-L33 PolarHBondContact O-N 3Å; I30-K34 HydrophobicContact CG2-CD 4.27Å; I30-K34 WeakPolarHBondContact O-CG 3.21Å; I30-K34 PolarHBondContact O-N 3.26Å; I30-L53 HydrophobicContact CD1-CB 4.08Å; I30-V54 HydrophobicContact CD1-CG2 4.11Å; I30-V54 HydrophobicContact CG1-CG2 3.95Å; I30-E57 HydrophobicContact CD1-CG 4.4Å; I30-E57 HydrophobicContact CG2-CB 3.97Å; I30-E57 HydrophobicContact CG2-CG 3.91Å
31E96.9Very high95.5Very high130 Ų13057.7 Ų57.761%0.60731%0.306SS*.Hα-helixtrans-58.5-43.1175.3-71.8170.9-17200111.7N27 K28 F29 K34 K35N27-E31 WeakPolarHBondContact O-CG 3.45Å; N27-E31 PolarHBondContact O-N 2.94Å; K28-E31 PolarHBondContact O-N 3.08Å; F29-E31 PolarHBondContact O-N 3.45Å; E31-K34 PolarHBondContact O-N 3.43Å; E31-K35 WeakPolarHBondContact O-CB 3.25Å; E31-K35 PolarHBondContact O-N 3.18Å
32E96.3Very high95.8Very high53 Ų5357.7 Ų57.725%0.24831%0.306CS..Hα-helixtrans-63.3-46.6175.7-173.5170.5-109.600111.5P5 K28 F29 I30 K34 K35 Y36P5-E32 HydrophobicContact CG-CG 4.41Å; P5-E32 WeakPolarHBondContact CG-OE1 3.42Å; K28-E32 WeakPolarHBondContact O-CB 3.22Å; K28-E32 PolarHBondContact O-N 3.45Å; F29-E32 WeakPolarHBondContact O-CB 3.13Å; F29-E32 PolarHBondContact O-N 2.97Å; I30-E32 VanDerWaalsContact C-N 3.3Å; I30-E32 PolarHBondContact O-N 2.83Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 PolarHBondContact O-N 3.01Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.96Å; E32-K35 VanDerWaalsContact O-N 3.17Å; E32-Y36 HydrophobicContact CG-CD2 4.2Å; E32-Y36 HydrophobicContact CG-CE2 3.98Å; E32-Y36 VanDerWaalsContact O-CD2 3.26Å; E32-Y36 WeakPolarHBondContact O-CD2 3.4Å; E32-Y36 PolarHBondContact O-N 3.06Å
33L97.9Very high96.1Very high0 Ų054.4 Ų54.40%028%0.284CS..Hα-helixtrans-56.8-46.4176-69.6-176.4000111.7L16 F29 I30 K35 Y36 G37 V38 V41 V54 I59 A97L16-L33 HydrophobicContact CD2-CD2 4.2Å; F29-L33 HydrophobicContact CD1-CD1 3.93Å; F29-L33 HydrophobicContact CD1-CG 4.32Å; F29-L33 HydrophobicContact CD2-CG 4.48Å; F29-L33 HydrophobicContact CE1-CD1 3.49Å; F29-L33 VanDerWaalsContact CE1-CD1 3.49Å; F29-L33 HydrophobicContact CE1-CD2 4.4Å; F29-L33 HydrophobicContact CE1-CG 4.06Å; F29-L33 HydrophobicContact CE2-CD1 4.47Å; F29-L33 HydrophobicContact CE2-CD2 3.98Å; F29-L33 HydrophobicContact CE2-CG 4.18Å; F29-L33 HydrophobicContact CZ-CD1 3.8Å; F29-L33 HydrophobicContact CZ-CD2 3.85Å; F29-L33 HydrophobicContact CZ-CG 3.98Å; F29-L33 VanDerWaalsContact O-CG 3.31Å; F29-L33 WeakPolarHBondContact O-CG 3.48Å; F29-L33 PolarHBondContact O-N 3.05Å; I30-L33 PolarHBondContact O-N 3Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.99Å; L33-Y36 PolarHBondContact O-N 2.98Å; L33-G37 PolarHBondContact O-N 3.29Å; L33-V38 HydrophobicContact CB-CB 4.04Å; L33-V38 HydrophobicContact CB-CG2 4.47Å; L33-V38 HydrophobicContact CD2-CB 4.15Å; L33-V38 HydrophobicContact CD2-CG1 4.1Å; L33-V38 HydrophobicContact CD2-CG2 4.02Å; L33-V38 WeakPolarHBondContact O-CB 3.35Å; L33-V38 PolarHBondContact O-N 2.74Å; L33-V41 HydrophobicContact CD1-CG2 3.5Å; L33-V41 VanDerWaalsContact CD1-CG2 3.5Å; L33-V41 HydrophobicContact CD2-CG2 4.25Å; L33-V54 HydrophobicContact CD1-CG1 4.37Å; L33-I59 HydrophobicContact CB-CD1 3.79Å; L33-I59 HydrophobicContact CD1-CD1 3.92Å; L33-I59 HydrophobicContact CD1-CG2 4.4Å; L33-A97 HydrophobicContact CD2-CB 3.81Å
34K97.7Very high96.4Very high102 Ų10249.1 Ų49.144%0.44326%0.256SS..Hα-helixtrans-62.2-40177.3-73.1-179.9176.5-173.70112.2I30 E31 E32 Y36 G37 E57 I59I30-K34 HydrophobicContact CG2-CD 4.27Å; I30-K34 WeakPolarHBondContact O-CG 3.21Å; I30-K34 PolarHBondContact O-N 3.26Å; E31-K34 PolarHBondContact O-N 3.43Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 PolarHBondContact O-N 3.01Å; K34-Y36 PolarHBondContact O-N 2.95Å; K34-G37 PolarHBondContact O-N 2.98Å; K34-E57 IonicContact NZ-OE2 2.63Å; K34-E57 PolarHBondContact NZ-OE2 3.42Å; K34-I59 HydrophobicContact CG-CD1 4.39Å
35K97.3Very high96.4Very high171 Ų17144.7 Ų44.774%0.74322%0.22SC*.Hα-helixtrans-57.8-36.4176.8-178.1-177.1176-177.90112.5E31 E32 L33 G37E31-K35 WeakPolarHBondContact O-CB 3.25Å; E31-K35 PolarHBondContact O-N 3.18Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.96Å; E32-K35 VanDerWaalsContact O-N 3.17Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.99Å; K35-G37 VanDerWaalsContact C-N 3.33Å
36Y97.8Very high96.1Very high55 Ų5549.8 Ų49.822%0.21624%0.24CC..THydrogen-bonded Turntrans-86-2.9177.3-73.5-81.1000113.7P5 E7 R14 L16 E32 L33 K34 C95P5-Y36 HydrophobicContact CG-CE2 4.17Å; E7-Y36 HydrophobicContact CB-CE1 4.37Å; R14-Y36 PolarHBondContact NH2-O 2.59Å; L16-Y36 HydrophobicContact CD1-CD1 3.83Å; L16-Y36 HydrophobicContact CD1-CD2 3.91Å; L16-Y36 HydrophobicContact CD1-CE1 4Å; L16-Y36 HydrophobicContact CD1-CE2 4.09Å; L16-Y36 HydrophobicContact CD1-CG 3.79Å; L16-Y36 HydrophobicContact CD2-CD2 3.65Å; L16-Y36 HydrophobicContact CD2-CE2 4.35Å; L16-Y36 HydrophobicContact CD2-CG 3.89Å; L16-Y36 HydrophobicContact CG-CD2 4.46Å; L16-Y36 HydrophobicContact CG-CG 4.46Å; E32-Y36 HydrophobicContact CG-CD2 4.2Å; E32-Y36 HydrophobicContact CG-CE2 3.98Å; E32-Y36 VanDerWaalsContact O-CD2 3.26Å; E32-Y36 WeakPolarHBondContact O-CD2 3.4Å; E32-Y36 PolarHBondContact O-N 3.06Å; L33-Y36 PolarHBondContact O-N 2.98Å; K34-Y36 PolarHBondContact O-N 2.95Å; Y36-C95 WeakPolarHBondContact O-CB 3.46Å
37G97.7Very high95.8Very high33 Ų3352.3 Ų52.334%0.3426%0.261SS..THydrogen-bonded Turntrans69.235.2-174.700000112.4L33 K34 K35 C95L33-G37 PolarHBondContact O-N 3.29Å; K34-G37 PolarHBondContact O-N 2.98Å; K35-G37 VanDerWaalsContact C-N 3.33Å; G37-C95 PolarHBondContact O-N 2.8Å
38V98.6Very high95.5Very high7 Ų750.9 Ų50.94%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-73.2126.6177.5175.50000110.1L16 L33 T40 V41 I59 C95 A97L16-V38 HydrophobicContact CB-CG2 4.24Å; L16-V38 HydrophobicContact CD2-CG2 3.89Å; L33-V38 HydrophobicContact CB-CB 4.04Å; L33-V38 HydrophobicContact CB-CG2 4.47Å; L33-V38 HydrophobicContact CD2-CB 4.15Å; L33-V38 HydrophobicContact CD2-CG1 4.1Å; L33-V38 HydrophobicContact CD2-CG2 4.02Å; L33-V38 WeakPolarHBondContact O-CB 3.35Å; L33-V38 PolarHBondContact O-N 2.74Å; V38-T40 VanDerWaalsContact CG1-O 3.23Å; V38-T40 WeakPolarHBondContact CG1-O 3.33Å; V38-V41 HydrophobicContact CG1-CG2 4.16Å; V38-I59 HydrophobicContact CG1-CG2 4.38Å; V38-C95 VanDerWaalsContact CA-O 3.24Å; V38-C95 WeakPolarHBondContact CA-O 3.46Å; V38-C95 HydrophobicContact CG2-CB 3.91Å; V38-A97 HydrophobicContact CG1-CB 3.72Å; V38-A97 HydrophobicContact CG2-CB 4.1Å
39T98.4Very high95.3Very high38 Ų3844.1 Ų44.123%0.23323%0.227CC..EExtended strand (participates in β ladder)trans-110.7-14.1175.663.90000112.7Q60 E91 C94 C95T39-Q60 PolarHBondContact O-N 2.91Å; T39-E91 WeakPolarHBondContact CB-OE2 3.26Å; T39-E91 VanDerWaalsContact CG2-OE2 3.22Å; T39-E91 WeakPolarHBondContact CG2-OE2 3.37Å; T39-E91 PolarHBondContact OG1-OE2 3.12Å; T39-C94 HydrophobicContact CG2-CB 4.08Å; T39-C95 PolarHBondContact N-O 2.86Å
40T98.6Very high95Very high0 Ų048.1 Ų48.10%025%0.248CC..EExtended strand (participates in β ladder)trans-142.3136.9177.5-56.10000111.5V38 Q60 L62 L83 K87 I96 A97V38-T40 VanDerWaalsContact CG1-O 3.23Å; V38-T40 WeakPolarHBondContact CG1-O 3.33Å; T40-Q60 CarbonylContact C-O 3.5Å; T40-Q60 WeakPolarHBondContact CA-O 3.38Å; T40-Q60 HydrophobicContact CG2-CB 4.25Å; T40-Q60 HydrophobicContact CG2-CG 4.48Å; T40-L62 HydrophobicContact CG2-CD1 3.88Å; T40-L62 HydrophobicContact CG2-CG 4.34Å; T40-L83 HydrophobicContact CG2-CD1 4.38Å; T40-L83 HydrophobicContact CG2-CD2 4.18Å; T40-K87 WeakPolarHBondContact OG1-CE 3.28Å; T40-I96 CarbonylContact O-C 3.6Å; T40-I96 WeakPolarHBondContact O-CA 3.36Å; T40-A97 PolarHBondContact O-N 2.97Å
41V98.3Very high94.9Very high0 Ų049 Ų490%026%0.255CS..EExtended strand (participates in β ladder)trans-115.6124.6173.8178.80000109.1L33 V38 R43 I59 Q60 V61 L62 A97L33-V41 HydrophobicContact CD1-CG2 3.5Å; L33-V41 VanDerWaalsContact CD1-CG2 3.5Å; L33-V41 HydrophobicContact CD2-CG2 4.25Å; V38-V41 HydrophobicContact CG1-CG2 4.16Å; V41-R43 HydrophobicContact CG1-CG 4.41Å; V41-I59 HydrophobicContact CG2-CG2 3.68Å; V41-Q60 PolarHBondContact N-O 3.02Å; V41-V61 HydrophobicContact CB-CG2 4.39Å; V41-V61 CarbonylContact O-C 3.59Å; V41-V61 WeakPolarHBondContact O-CA 3.38Å; V41-L62 PolarHBondContact O-N 3.43Å; V41-A97 CarbonylContact C-O 3.56Å; V41-A97 WeakPolarHBondContact CA-O 3.18Å; V41-A97 HydrophobicContact CG2-CB 4.1Å
42V97.9Very high94.8Very high0 Ų045.9 Ų45.90%025%0.245CC..EExtended strand (participates in β ladder)trans-104.2119172.8-178.30000109.6V44 L62 W64 W80 L83 I96 A97 V98 H99 L110V42-V44 HydrophobicContact CG1-CG1 4Å; V42-L62 HydrophobicContact CG2-CB 4.45Å; V42-L62 HydrophobicContact CG2-CD1 4.44Å; V42-W64 HydrophobicContact CG1-CD2 4.05Å; V42-W64 HydrophobicContact CG1-CE3 3.39Å; V42-W64 HydrophobicContact CG1-CZ3 3.92Å; V42-W64 HydrophobicContact CG2-CE3 4.34Å; V42-W64 HydrophobicContact CG2-CZ3 4.05Å; V42-W80 HydrophobicContact CG2-CE3 4.4Å; V42-W80 HydrophobicContact CG2-CZ3 4.03Å; V42-L83 HydrophobicContact CG2-CD2 3.85Å; V42-I96 HydrophobicContact CG2-CG2 4.27Å; V42-A97 PolarHBondContact N-O 3.36Å; V42-V98 HydrophobicContact CB-CG1 4.39Å; V42-V98 HydrophobicContact CB-CG2 4.41Å; V42-V98 WeakPolarHBondContact O-CA 3.36Å; V42-H99 PolarHBondContact O-N 3.26Å; V42-L110 HydrophobicContact CG1-CD1 4.25Å
43R96.2Very high94.8Very high11 Ų1146.8 Ų46.84%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-94.4117175.3-48.8-161.5-73.3-168.1-5.1108.7V41 A47 Y49 V61 L62 D63 W64 H99V41-R43 HydrophobicContact CG1-CG 4.41Å; R43-A47 VanDerWaalsContact CZ-CB 3.49Å; R43-Y49 PolarHBondContact NH1-O 3.26Å; R43-V61 HydrophobicContact CG-CG1 3.93Å; R43-L62 PolarHBondContact N-O 2.89Å; R43-D63 IonicContact CZ-OD1 2.88Å; R43-D63 IonicContact CZ-OD2 2.73Å; R43-D63 IonicContact NE-OD1 3.64Å; R43-D63 PolarHBondContact NE-OD1 3.19Å; R43-D63 IonicContact NE-OD2 3.39Å; R43-D63 IonicContact NH2-OD1 2.64Å; R43-D63 PolarHBondContact NH2-OD1 3.12Å; R43-D63 IonicContact NH2-OD2 3.72Å; R43-D63 PolarHBondContact NH2-OD2 3.19Å; R43-W64 CarbonylContact O-C 3.37Å; R43-W64 PolarHBondContact O-N 3.36Å; R43-H99 WeakPolarHBondContact CG-NE2 3.41Å
44V94.1Very high94.7Very high0 Ų046.8 Ų46.80%025%0.252CS..  trans-105.311.5-179.3-59.40000113.5V42 W64 F66 V98 H99 C100 R106 A107 L110V42-V44 HydrophobicContact CG1-CG1 4Å; V44-W64 WeakPolarHBondContact CA-O 3.24Å; V44-F66 HydrophobicContact CB-CD1 4.12Å; V44-F66 HydrophobicContact CB-CE1 3.59Å; V44-F66 HydrophobicContact CB-CZ 4.27Å; V44-F66 HydrophobicContact CG1-CE1 3.79Å; V44-F66 HydrophobicContact CG2-CE1 4.33Å; V44-F66 PolarHBondContact O-N 2.91Å; V44-V98 HydrophobicContact CG1-CG1 3.96Å; V44-V98 HydrophobicContact CG2-CG1 4.48Å; V44-H99 VanDerWaalsContact CG2-O 3.3Å; V44-H99 WeakPolarHBondContact CG2-O 3.41Å; V44-H99 PolarHBondContact N-O 2.94Å; V44-C100 HydrophobicContact CG2-CB 3.86Å; V44-R106 HydrophobicContact CB-CB 4.47Å; V44-R106 HydrophobicContact CG2-CB 3.66Å; V44-A107 HydrophobicContact CG2-CB 4.25Å; V44-L110 HydrophobicContact CG1-CD1 3.51Å; V44-L110 HydrophobicContact CG1-CG 4.34Å
45C90.2Very high94.7Very high3 Ų345.7 Ų45.72%0.0225%0.253CS..SBendtrans-130.9175.3170.765.90000109.9A47 C100 V101C45-A47 PolarHBondContact O-N 3.28Å; C45-C100 VanDerWaalsContact SG-CA 3.56Å; C45-V101 HydrophobicContact CB-CG2 4.1Å
46E86.7Confident94.7Very high162 Ų16245.3 Ų45.376%0.75725%0.251SS*.  trans-52.3138.4173-63.9-178.1161.700111.4T48E46-T48 PolarHBondContact O-N 3.23Å
47A88.3Confident94.7Very high58 Ų5847.5 Ų47.548%0.47926%0.263SS..  trans-70.6123.4178.800000110.2R43 C45R43-A47 VanDerWaalsContact CZ-CB 3.49Å; C45-A47 PolarHBondContact O-N 3.28Å
48T88.8Confident94.7Very high76 Ų7648.9 Ų48.947%0.46628%0.278SS..  trans-115.31.7179.5680000113.5N20 E46N20-T48 PolarHBondContact ND2-OG1 3.02Å; N20-T48 PolarHBondContact OD1-OG1 3.32Å; E46-T48 PolarHBondContact O-N 3.23Å
49Y90.5Very high94.7Very high12 Ų1248.9 Ų48.95%0.04728%0.278CS..SBendtrans-143.1152.1179.170.1-90.9000109.9P21 N23 L26 R43 S51 V54 H99P21-Y49 HydrophobicContact CG-CD1 3.55Å; P21-Y49 HydrophobicContact CG-CD2 4.39Å; P21-Y49 HydrophobicContact CG-CE1 3.44Å; P21-Y49 VanDerWaalsContact CG-CE1 3.44Å; P21-Y49 HydrophobicContact CG-CE2 4.33Å; P21-Y49 HydrophobicContact CG-CG 4.03Å; N23-Y49 WeakPolarHBondContact OD1-CA 3.48Å; N23-Y49 WeakPolarHBondContact OD1-CB 3.33Å; L26-Y49 HydrophobicContact CD1-CD2 3.62Å; L26-Y49 HydrophobicContact CD1-CE2 3.82Å; L26-Y49 HydrophobicContact CD1-CG 4.35Å; L26-Y49 HydrophobicContact CD2-CD2 4.16Å; R43-Y49 PolarHBondContact NH1-O 3.26Å; Y49-S51 PolarHBondContact O-N 2.97Å; Y49-V54 HydrophobicContact CE2-CG2 4.01Å; Y49-H99 AromaticContact CE1-CE1 3.72Å; Y49-H99 AromaticContact CE1-NE2 3.63Å; Y49-H99 AromaticContact CZ-NE2 3.88Å; Y49-H99 PolarHBondContact OH-NE2 3.3Å
50D90.5Very high94.6Very high90 Ų9051 Ų5148%0.48129%0.285SS..  trans-75.1121.2175.7-177.610.4000110.4L26 T52L26-D50 WeakPolarHBondContact CD2-O 3.47Å; D50-T52 VanDerWaalsContact C-N 3.27Å; D50-T52 PolarHBondContact O-N 3.43Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.42Å; D50-T52 PolarHBondContact OD1-N 3.39Å; D50-T52 PolarHBondContact OD1-OG1 3.45Å; D50-T52 WeakPolarHBondContact OD2-CG2 3.24Å; D50-T52 PolarHBondContact OD2-OG1 2.94Å
51S94.2Very high94.6Very high28 Ų2852.1 Ų52.120%0.19629%0.292CS..THydrogen-bonded Turntrans-78.7-6.7179.452.30000113.6Y49 L53 V54 V55Y49-S51 PolarHBondContact O-N 2.97Å; S51-L53 VanDerWaalsContact C-N 3.26Å; S51-L53 PolarHBondContact O-N 3.29Å; S51-V54 WeakPolarHBondContact O-CB 3.48Å; S51-V54 PolarHBondContact O-N 3.17Å; S51-V55 WeakPolarHBondContact O-CG2 3.45Å; S51-V55 PolarHBondContact O-N 3.18Å
52T95.4Very high94.6Very high65 Ų6553.7 Ų53.740%0.39930%0.3SS..Hα-helixtrans-53.5-41.6-17858.20000112.9D50 V55 K56D50-T52 VanDerWaalsContact C-N 3.27Å; D50-T52 PolarHBondContact O-N 3.43Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.42Å; D50-T52 PolarHBondContact OD1-N 3.39Å; D50-T52 PolarHBondContact OD1-OG1 3.45Å; D50-T52 WeakPolarHBondContact OD2-CG2 3.24Å; D50-T52 PolarHBondContact OD2-OG1 2.94Å; T52-V55 PolarHBondContact O-N 2.8Å; T52-K56 WeakPolarHBondContact O-CB 3.39Å; T52-K56 VanDerWaalsContact O-CG 3.28Å; T52-K56 WeakPolarHBondContact O-CG 3.4Å; T52-K56 PolarHBondContact O-N 2.56Å
53L94.9Very high94.5Very high72 Ų7257.2 Ų57.238%0.37732%0.319SS..Hα-helixtrans-67.4-40.3177.2-66.7-177.8000112.2L26 I30 S51 V55 K56 E57L26-L53 HydrophobicContact CD2-CB 4.21Å; L26-L53 HydrophobicContact CD2-CD1 4.09Å; I30-L53 HydrophobicContact CD1-CB 4.08Å; S51-L53 VanDerWaalsContact C-N 3.26Å; S51-L53 PolarHBondContact O-N 3.29Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.3Å; L53-K56 HydrophobicContact CD2-CD 4.45Å; L53-K56 PolarHBondContact O-N 2.86Å; L53-E57 VanDerWaalsContact O-CG 3.24Å; L53-E57 WeakPolarHBondContact O-CG 3.24Å; L53-E57 PolarHBondContact O-N 3.19Å
54V96.9Very high94.5Very high0 Ų058.6 Ų58.60%032%0.324CS..Hα-helixtrans-63.5-42.9177.3-177.50000110.5L26 I30 L33 Y49 S51 E57 I59 V61L26-V54 HydrophobicContact CD1-CG2 3.8Å; I30-V54 HydrophobicContact CD1-CG2 4.11Å; I30-V54 HydrophobicContact CG1-CG2 3.95Å; L33-V54 HydrophobicContact CD1-CG1 4.37Å; Y49-V54 HydrophobicContact CE2-CG2 4.01Å; S51-V54 WeakPolarHBondContact O-CB 3.48Å; S51-V54 PolarHBondContact O-N 3.17Å; V54-E57 PolarHBondContact O-N 2.67Å; V54-I59 HydrophobicContact CG1-CB 3.69Å; V54-I59 HydrophobicContact CG1-CD1 4.44Å; V54-I59 HydrophobicContact CG1-CG2 3.75Å; V54-I59 PolarHBondContact O-N 3.37Å; V54-V61 HydrophobicContact CB-CG2 3.91Å; V54-V61 HydrophobicContact CG1-CG2 3.56Å
55V97.6Very high94.5Very high78 Ų7862 Ų6247%0.47335%0.346SS..Hα-helixtrans-67.5-40.4178.4174.20000111.9S51 T52 L53 E57 G58 I59 V61S51-V55 WeakPolarHBondContact O-CG2 3.45Å; S51-V55 PolarHBondContact O-N 3.18Å; T52-V55 PolarHBondContact O-N 2.8Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.3Å; V55-E57 PolarHBondContact O-N 2.79Å; V55-G58 PolarHBondContact O-N 2.97Å; V55-I59 WeakPolarHBondContact CA-O 3.49Å; V55-V61 HydrophobicContact CG2-CB 4.47Å; V55-V61 HydrophobicContact CG2-CG2 4.15Å
56K97.4Very high94.6Very high164 Ų16462.5 Ų62.571%0.71335%0.348SS*.Hα-helixtrans-58.1-28.4174.7-80.9178.4-178.5-177.40112.9T52 L53 G58T52-K56 WeakPolarHBondContact O-CB 3.39Å; T52-K56 VanDerWaalsContact O-CG 3.28Å; T52-K56 WeakPolarHBondContact O-CG 3.4Å; T52-K56 PolarHBondContact O-N 2.56Å; L53-K56 HydrophobicContact CD2-CD 4.45Å; L53-K56 PolarHBondContact O-N 2.86Å; K56-G58 PolarHBondContact O-N 3.36Å
57E97.4Very high94.6Very high100 Ų10060.9 Ų60.947%0.46735%0.345SS..THydrogen-bonded Turntrans-88.612.4179.9-63.5-69.4168.700113I30 K34 L53 V54 V55I30-E57 HydrophobicContact CD1-CG 4.4Å; I30-E57 HydrophobicContact CG2-CB 3.97Å; I30-E57 HydrophobicContact CG2-CG 3.91Å; K34-E57 IonicContact NZ-OE2 2.63Å; K34-E57 PolarHBondContact NZ-OE2 3.42Å; L53-E57 VanDerWaalsContact O-CG 3.24Å; L53-E57 WeakPolarHBondContact O-CG 3.24Å; L53-E57 PolarHBondContact O-N 3.19Å; V54-E57 PolarHBondContact O-N 2.67Å; V55-E57 PolarHBondContact O-N 2.79Å
58G96.9Very high94.3Very high63 Ų6363.4 Ų63.465%0.64935%0.35SS*.THydrogen-bonded Turntrans8311.3175.100000114.6V55 K56V55-G58 PolarHBondContact O-N 2.97Å; K56-G58 PolarHBondContact O-N 3.36Å
59I98.4Very high93.7Very high6 Ų660.3 Ų60.33%0.03133%0.333CS..  trans-102.9117.7-178.8-56.4174.1000109.3L33 K34 V38 V41 V54 V55L33-I59 HydrophobicContact CB-CD1 3.79Å; L33-I59 HydrophobicContact CD1-CD1 3.92Å; L33-I59 HydrophobicContact CD1-CG2 4.4Å; K34-I59 HydrophobicContact CG-CD1 4.39Å; V38-I59 HydrophobicContact CG1-CG2 4.38Å; V41-I59 HydrophobicContact CG2-CG2 3.68Å; V54-I59 HydrophobicContact CG1-CB 3.69Å; V54-I59 HydrophobicContact CG1-CD1 4.44Å; V54-I59 HydrophobicContact CG1-CG2 3.75Å; V54-I59 PolarHBondContact O-N 3.37Å; V55-I59 WeakPolarHBondContact CA-O 3.49Å
60Q98.3Very high93.5Very high84 Ų8461.2 Ų61.239%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-67.6138.6176.5-174.9175.822.900110.6T39 T40 V41 L62T39-Q60 PolarHBondContact O-N 2.91Å; T40-Q60 CarbonylContact C-O 3.5Å; T40-Q60 WeakPolarHBondContact CA-O 3.38Å; T40-Q60 HydrophobicContact CG2-CB 4.25Å; T40-Q60 HydrophobicContact CG2-CG 4.48Å; V41-Q60 PolarHBondContact N-O 3.02Å; Q60-L62 HydrophobicContact CG-CD2 4.29Å; Q60-L62 HydrophobicContact CG-CG 4.31Å
61V97.9Very high93.4Very high22 Ų2260.3 Ų60.313%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-118.7130.5174.2-175.40000109.5V41 R43 V54 V55V41-V61 HydrophobicContact CB-CG2 4.39Å; V41-V61 CarbonylContact O-C 3.59Å; V41-V61 WeakPolarHBondContact O-CA 3.38Å; R43-V61 HydrophobicContact CG-CG1 3.93Å; V54-V61 HydrophobicContact CB-CG2 3.91Å; V54-V61 HydrophobicContact CG1-CG2 3.56Å; V55-V61 HydrophobicContact CG2-CB 4.47Å; V55-V61 HydrophobicContact CG2-CG2 4.15Å
62L97.9Very high93.5Very high33 Ų3359.2 Ų59.217%0.17333%0.334CS..EExtended strand (participates in β ladder)trans-123.2134.8-179.7-61.7172.7000110.1T40 V41 V42 R43 Q60 W64 L83T40-L62 HydrophobicContact CG2-CD1 3.88Å; T40-L62 HydrophobicContact CG2-CG 4.34Å; V41-L62 PolarHBondContact O-N 3.43Å; V42-L62 HydrophobicContact CG2-CB 4.45Å; V42-L62 HydrophobicContact CG2-CD1 4.44Å; R43-L62 PolarHBondContact N-O 2.89Å; Q60-L62 HydrophobicContact CG-CD2 4.29Å; Q60-L62 HydrophobicContact CG-CG 4.31Å; L62-W64 HydrophobicContact CB-CZ2 4.22Å; L62-W64 HydrophobicContact CD1-CH2 3.88Å; L62-W64 HydrophobicContact CD1-CZ2 3.67Å; L62-W64 HydrophobicContact CG-CZ2 4.4Å; L62-L83 HydrophobicContact CD1-CD1 3.86Å; L62-L83 HydrophobicContact CD1-CD2 3.76Å; L62-L83 HydrophobicContact CD1-CG 4.41Å
63D96.5Very high93.5Very high74 Ų7459 Ų5940%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-109.1102.6-177.1-74.8-63.2000111.7R43 P65R43-D63 IonicContact CZ-OD1 2.88Å; R43-D63 IonicContact CZ-OD2 2.73Å; R43-D63 IonicContact NE-OD1 3.64Å; R43-D63 PolarHBondContact NE-OD1 3.19Å; R43-D63 IonicContact NE-OD2 3.39Å; R43-D63 IonicContact NH2-OD1 2.64Å; R43-D63 PolarHBondContact NH2-OD1 3.12Å; R43-D63 IonicContact NH2-OD2 3.72Å; R43-D63 PolarHBondContact NH2-OD2 3.19Å; D63-P65 WeakPolarHBondContact O-CD 3.44Å
64W96.3Very high93.5Very high40 Ų4061.5 Ų61.515%0.15235%0.349CS..  trans-126.763179.5-58.3-28.5000111.2V42 R43 V44 L62 I76 D79 W80 L83V42-W64 HydrophobicContact CG1-CD2 4.05Å; V42-W64 HydrophobicContact CG1-CE3 3.39Å; V42-W64 HydrophobicContact CG1-CZ3 3.92Å; V42-W64 HydrophobicContact CG2-CE3 4.34Å; V42-W64 HydrophobicContact CG2-CZ3 4.05Å; R43-W64 CarbonylContact O-C 3.37Å; R43-W64 PolarHBondContact O-N 3.36Å; V44-W64 WeakPolarHBondContact CA-O 3.24Å; L62-W64 HydrophobicContact CB-CZ2 4.22Å; L62-W64 HydrophobicContact CD1-CH2 3.88Å; L62-W64 HydrophobicContact CD1-CZ2 3.67Å; L62-W64 HydrophobicContact CG-CZ2 4.4Å; W64-I76 HydrophobicContact CB-CD1 4.38Å; W64-I76 HydrophobicContact CB-CG1 4.19Å; W64-I76 HydrophobicContact CB-CG2 4.15Å; W64-D79 HydrophobicContact CH2-CB 4.09Å; W64-D79 HydrophobicContact CZ2-CB 3.85Å; W64-W80 HydrophobicContact CZ3-CB 4Å; W64-W80 HydrophobicContact CZ3-CE3 4Å; W64-L83 HydrophobicContact CH2-CB 4Å; W64-L83 HydrophobicContact CH2-CD2 3.73Å; W64-L83 HydrophobicContact CH2-CG 4.42Å; W64-L83 HydrophobicContact CZ3-CD2 4.12Å
65P94.1Very high93.4Very high71 Ų7167 Ų6746%0.46138%0.375SS..  trans-65.5142.3-178.129.2-35.4000111.5D63D63-P65 WeakPolarHBondContact O-CD 3.44Å
66F91.8Very high93.4Very high15 Ų1564.1 Ų64.17%0.06636%0.357CS..  trans-143155.7165.657.5-89.8000110.3V44 P72 I76 R106 L110V44-F66 HydrophobicContact CB-CD1 4.12Å; V44-F66 HydrophobicContact CB-CE1 3.59Å; V44-F66 HydrophobicContact CB-CZ 4.27Å; V44-F66 HydrophobicContact CG1-CE1 3.79Å; V44-F66 HydrophobicContact CG2-CE1 4.33Å; V44-F66 PolarHBondContact O-N 2.91Å; F66-P72 HydrophobicContact CD1-CB 4.09Å; F66-P72 HydrophobicContact CE1-CB 4.07Å; F66-P72 HydrophobicContact CG-CB 4.33Å; F66-P72 HydrophobicContact CZ-CB 4.32Å; F66-I76 HydrophobicContact CB-CD1 4.14Å; F66-I76 HydrophobicContact CD1-CD1 4.15Å; F66-R106 HydrophobicContact CD2-CB 4.49Å; F66-R106 HydrophobicContact CD2-CG 4.14Å; F66-R106 HydrophobicContact CE1-CB 4.39Å; F66-R106 HydrophobicContact CE2-CB 3.6Å; F66-R106 HydrophobicContact CE2-CG 3.56Å; F66-R106 HydrophobicContact CZ-CB 3.55Å; F66-R106 HydrophobicContact CZ-CG 4.07Å; F66-R106 WeakPolarHBondContact O-CD 3.26Å; F66-R106 PolarHBondContact O-NH1 3.4Å; F66-L110 HydrophobicContact CE1-CG 4.48Å
67D87.6Confident93.4Very high128 Ų12856.4 Ų56.468%0.68432%0.323SS*.  trans-63.9151.4-171.1-67.3-21.1000113.2G69 A70D67-G69 PolarHBondContact O-N 3.35Å; D67-A70 HydrophobicContact CB-CB 3.73Å; D67-A70 WeakPolarHBondContact O-CB 3.4Å; D67-A70 PolarHBondContact O-N 3.21Å; D67-A70 VanDerWaalsContact O-N 3.11Å
68D80.3Confident93.4Very high110 Ų11053.2 Ų53.259%0.58831%0.309SS*.THydrogen-bonded Turntrans-67.6129.8178.9-16232.6000112A70 R106D68-A70 PolarHBondContact O-N 3.09Å; D68-R106 IonicContact OD1-NE 2.67Å; D68-R106 PolarHBondContact OD1-NE 3.48Å
69G76.7Confident93.4Very high12 Ų1252.7 Ų52.712%0.12429%0.292CS..THydrogen-bonded Turntrans69.20.9-173.600000115.1D67 K140D67-G69 PolarHBondContact O-N 3.35Å; G69-K140 WeakPolarHBondContact O-CB 3.31Å; G69-K140 WeakPolarHBondContact O-CD 3.48Å
70A86.3Confident93.4Very high30 Ų3052.4 Ų52.425%0.24829%0.29CS..SBendtrans-87.7152.1166.200000110.5D67 D68D67-A70 HydrophobicContact CB-CB 3.73Å; D67-A70 WeakPolarHBondContact O-CB 3.4Å; D67-A70 PolarHBondContact O-N 3.21Å; D67-A70 VanDerWaalsContact O-N 3.11Å; D68-A70 PolarHBondContact O-N 3.09Å
71P89.6Confident93.3Very high71 Ų7148.5 Ų48.546%0.46127%0.272SS..PPolyproline II helixtrans-71.6154169.332.1-35000111.1Y144P71-Y144 HydrophobicContact CB-CD1 4.17Å; P71-Y144 HydrophobicContact CB-CD2 3.31Å; P71-Y144 HydrophobicContact CB-CE1 4.34Å; P71-Y144 HydrophobicContact CB-CE2 3.51Å; P71-Y144 HydrophobicContact CB-CG 3.65Å; P71-Y144 HydrophobicContact CG-CD2 4.22Å
72P94.4Very high93.2Very high5 Ų551.5 Ų51.53%0.03229%0.287CS..PPolyproline II helixtrans-61148.2167.928.1-34.4000110.3F66 I76 V77 V109 L110 L113 Y144F66-P72 HydrophobicContact CD1-CB 4.09Å; F66-P72 HydrophobicContact CE1-CB 4.07Å; F66-P72 HydrophobicContact CG-CB 4.33Å; F66-P72 HydrophobicContact CZ-CB 4.32Å; P72-I76 HydrophobicContact CB-CB 4.16Å; P72-I76 HydrophobicContact CB-CG2 3.86Å; P72-V77 HydrophobicContact CB-CG2 4.18Å; P72-V77 HydrophobicContact CG-CG2 3.85Å; P72-V109 HydrophobicContact CG-CG1 4.29Å; P72-L110 HydrophobicContact CB-CD2 4.26Å; P72-L110 HydrophobicContact CG-CD2 4.23Å; P72-L113 HydrophobicContact CG-CD1 4.03Å; P72-Y144 HydrophobicContact CG-CE1 4.16Å
73S95.7Very high93.2Very high60 Ų6050.8 Ų50.842%0.4228%0.284SS..PPolyproline II helixtrans-67159.3174.774.20000111.1Q75 I76 V77S73-Q75 PolarHBondContact O-N 3.08Å; S73-I76 PolarHBondContact O-N 3.19Å; S73-I76 VanDerWaalsContact O-N 3.11Å; S73-I76 WeakPolarHBondContact OG-CG1 3.27Å; S73-I76 PolarHBondContact OG-N 3.14Å; S73-V77 WeakPolarHBondContact O-CG2 3.35Å; S73-V77 PolarHBondContact O-N 2.81Å
74N94.8Very high93.2Very high126 Ų12647.2 Ų47.267%0.67427%0.265SS*.Hα-helixtrans-56.4-35.3176.2-73.1-25.3000112.5V77 D78N74-V77 PolarHBondContact O-N 3.36Å; N74-D78 WeakPolarHBondContact O-CB 3.3Å; N74-D78 PolarHBondContact O-N 2.82Å
75Q96.6Very high93Very high116 Ų11650.4 Ų50.454%0.54228%0.28SS..Hα-helixtrans-63.7-48.1176.4-174.859.949.300111.3S73 V77 D78 D79S73-Q75 PolarHBondContact O-N 3.08Å; Q75-V77 VanDerWaalsContact C-N 3.28Å; Q75-V77 PolarHBondContact O-N 2.84Å; Q75-D78 PolarHBondContact O-N 2.77Å; Q75-D78 VanDerWaalsContact O-N 3.12Å; Q75-D79 PolarHBondContact NE2-OD1 2.92Å; Q75-D79 PolarHBondContact NE2-OD2 2.95Å; Q75-D79 PolarHBondContact O-N 3.24Å
76I97.2Very high93Very high17 Ų1751.2 Ų51.29%0.08728%0.279CS..Hα-helixtrans-60.2-41.3177-67.7172.5000110.7W64 F66 P72 S73 W80 L110W64-I76 HydrophobicContact CB-CD1 4.38Å; W64-I76 HydrophobicContact CB-CG1 4.19Å; W64-I76 HydrophobicContact CB-CG2 4.15Å; F66-I76 HydrophobicContact CB-CD1 4.14Å; F66-I76 HydrophobicContact CD1-CD1 4.15Å; P72-I76 HydrophobicContact CB-CB 4.16Å; P72-I76 HydrophobicContact CB-CG2 3.86Å; S73-I76 PolarHBondContact O-N 3.19Å; S73-I76 VanDerWaalsContact O-N 3.11Å; S73-I76 WeakPolarHBondContact OG-CG1 3.27Å; S73-I76 PolarHBondContact OG-N 3.14Å; I76-W80 WeakPolarHBondContact O-CB 3.38Å; I76-W80 PolarHBondContact O-N 3.4Å; I76-L110 HydrophobicContact CG2-CD2 4.21Å
77V97Very high93.2Very high1 Ų151.8 Ų51.81%0.00628%0.282CS..Hα-helixtrans-62.4-45.4175.9177.70000110.6P72 S73 N74 Q75 W80 L81 L113 Y148P72-V77 HydrophobicContact CB-CG2 4.18Å; P72-V77 HydrophobicContact CG-CG2 3.85Å; S73-V77 WeakPolarHBondContact O-CG2 3.35Å; S73-V77 PolarHBondContact O-N 2.81Å; N74-V77 PolarHBondContact O-N 3.36Å; Q75-V77 VanDerWaalsContact C-N 3.28Å; Q75-V77 PolarHBondContact O-N 2.84Å; V77-W80 PolarHBondContact O-N 3.46Å; V77-L81 HydrophobicContact CG1-CD1 4.11Å; V77-L81 HydrophobicContact CG1-CG 4.45Å; V77-L81 VanDerWaalsContact O-CG 3.26Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 3.48Å; V77-L113 HydrophobicContact CG1-CD1 4.41Å; V77-L113 HydrophobicContact CG2-CD1 3.87Å; V77-Y148 HydrophobicContact CG1-CE2 4.26Å
78D96.5Very high93.6Very high33 Ų3345.8 Ų45.818%0.17625%0.25CC..Hα-helixtrans-64.6-44.8179.9-78.2-34.8000112.5N74 Q75 L81 N82 K151 R153N74-D78 WeakPolarHBondContact O-CB 3.3Å; N74-D78 PolarHBondContact O-N 2.82Å; Q75-D78 PolarHBondContact O-N 2.77Å; Q75-D78 VanDerWaalsContact O-N 3.12Å; D78-L81 PolarHBondContact O-N 3.21Å; D78-N82 WeakPolarHBondContact O-CB 3.38Å; D78-N82 PolarHBondContact O-N 2.84Å; D78-N82 PolarHBondContact O-ND2 2.97Å; D78-K151 VanDerWaalsContact CG-NZ 3.27Å; D78-K151 IonicContact OD1-NZ 3.61Å; D78-K151 PolarHBondContact OD1-NZ 2.98Å; D78-K151 IonicContact OD2-NZ 3.4Å; D78-K151 PolarHBondContact OD2-NZ 3.47Å; D78-R153 IonicContact OD1-CZ 2.59Å; D78-R153 IonicContact OD1-NH1 2.74Å; D78-R153 PolarHBondContact OD1-NH1 3.26Å; D78-R153 IonicContact OD1-NH2 2.98Å
79D97.8Very high94.1Very high53 Ų5348.6 Ų48.628%0.28325%0.252SS..Hα-helixtrans-65-40.5177.5-67.4-27.6000111.7W64 Q75 N82 L83W64-D79 HydrophobicContact CH2-CB 4.09Å; W64-D79 HydrophobicContact CZ2-CB 3.85Å; Q75-D79 PolarHBondContact NE2-OD1 2.92Å; Q75-D79 PolarHBondContact NE2-OD2 2.95Å; Q75-D79 PolarHBondContact O-N 3.24Å; D79-N82 PolarHBondContact O-N 2.95Å; D79-L83 VanDerWaalsContact O-CB 3.31Å; D79-L83 WeakPolarHBondContact O-CB 3.41Å; D79-L83 PolarHBondContact O-N 3.42Å
80W97.9Very high94.9Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-58.1-53.2173.2172.1-120000111.6F15 V42 W64 I76 V77 N82 L83 L84 I96 V98 L110 A114F15-W80 AromaticContact CD1-CH2 3.76Å; F15-W80 HydrophobicContact CD1-CH2 3.76Å; F15-W80 HydrophobicContact CD1-CZ2 4.02Å; F15-W80 AromaticContact CE1-CH2 3.6Å; F15-W80 HydrophobicContact CE1-CH2 3.6Å; F15-W80 AromaticContact CE1-CZ2 3.56Å; F15-W80 HydrophobicContact CE1-CZ2 3.56Å; F15-W80 HydrophobicContact CZ-CZ2 4.32Å; V42-W80 HydrophobicContact CG2-CE3 4.4Å; V42-W80 HydrophobicContact CG2-CZ3 4.03Å; W64-W80 HydrophobicContact CZ3-CB 4Å; W64-W80 HydrophobicContact CZ3-CE3 4Å; I76-W80 WeakPolarHBondContact O-CB 3.38Å; I76-W80 PolarHBondContact O-N 3.4Å; V77-W80 PolarHBondContact O-N 3.46Å; W80-N82 VanDerWaalsContact C-N 3.3Å; W80-N82 PolarHBondContact O-N 2.84Å; W80-L83 HydrophobicContact CE3-CD2 4.15Å; W80-L83 HydrophobicContact CZ3-CD2 4.27Å; W80-L83 WeakPolarHBondContact O-CB 3.18Å; W80-L83 PolarHBondContact O-N 3.2Å; W80-L84 HydrophobicContact CD2-CD1 4.24Å; W80-L84 HydrophobicContact CD2-CD2 4.04Å; W80-L84 HydrophobicContact CD2-CG 4.04Å; W80-L84 HydrophobicContact CE3-CD2 3.81Å; W80-L84 HydrophobicContact CE3-CG 4.28Å; W80-L84 HydrophobicContact CH2-CD1 4.48Å; W80-L84 HydrophobicContact CH2-CD2 3.61Å; W80-L84 HydrophobicContact CH2-CG 4.45Å; W80-L84 HydrophobicContact CZ2-CD1 3.78Å; W80-L84 HydrophobicContact CZ2-CD2 3.77Å; W80-L84 HydrophobicContact CZ2-CG 4.14Å; W80-L84 HydrophobicContact CZ3-CD2 3.62Å; W80-L84 HydrophobicContact CZ3-CG 4.5Å; W80-L84 VanDerWaalsContact O-CG 3.3Å; W80-L84 WeakPolarHBondContact O-CG 3.23Å; W80-L84 PolarHBondContact O-N 3.47Å; W80-I96 HydrophobicContact CH2-CG2 4.15Å; W80-I96 HydrophobicContact CZ3-CG2 3.85Å; W80-V98 HydrophobicContact CH2-CG2 3.62Å; W80-V98 HydrophobicContact CZ3-CG2 3.99Å; W80-L110 HydrophobicContact CD2-CB 4.22Å; W80-L110 HydrophobicContact CD2-CD1 4.37Å; W80-L110 HydrophobicContact CE3-CD1 4.46Å; W80-L110 HydrophobicContact CG-CB 4.5Å; W80-L110 HydrophobicContact CG-CD2 4.43Å; W80-L110 HydrophobicContact CZ2-CB 4.06Å; W80-L110 PolarHBondContact NE1-O 2.91Å; W80-A114 HydrophobicContact CZ2-CB 4.34Å
81L96.4Very high95.2Very high2 Ų255.3 Ų55.31%0.0128%0.275CS..Hα-helixtrans-65-35-178.1-62.5179.4000112.6V77 D78 K85 E117 L154V77-L81 HydrophobicContact CG1-CD1 4.11Å; V77-L81 HydrophobicContact CG1-CG 4.45Å; V77-L81 VanDerWaalsContact O-CG 3.26Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 3.48Å; D78-L81 PolarHBondContact O-N 3.21Å; L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 PolarHBondContact O-N 3.44Å; L81-K85 VanDerWaalsContact O-N 3.1Å; L81-E117 HydrophobicContact CD1-CG 3.75Å; L81-E117 HydrophobicContact CD2-CB 4.14Å; L81-E117 HydrophobicContact CD2-CG 3.66Å; L81-E117 HydrophobicContact CG-CG 4.35Å; L81-L154 HydrophobicContact CD2-CD1 3.92Å; L81-L154 HydrophobicContact CD2-CG 4.25Å
82N96.1Very high95.4Very high84 Ų8457 Ų5745%0.44929%0.286SS..Hα-helixtrans-66.8-43.3174.1-72-26.3000111.7D78 D79 W80 L84 K85 L86D78-N82 WeakPolarHBondContact O-CB 3.38Å; D78-N82 PolarHBondContact O-N 2.84Å; D78-N82 PolarHBondContact O-ND2 2.97Å; D79-N82 PolarHBondContact O-N 2.95Å; W80-N82 VanDerWaalsContact C-N 3.3Å; W80-N82 PolarHBondContact O-N 2.84Å; N82-L84 PolarHBondContact O-N 3.27Å; N82-K85 PolarHBondContact O-N 2.86Å; N82-L86 WeakPolarHBondContact O-CB 3.4Å; N82-L86 PolarHBondContact O-N 3.44Å
83L97.3Very high95.3Very high18 Ų1858.9 Ų58.99%0.09431%0.306CS..Hα-helixtrans-56.9-49174.5176.672.8000110.8T40 V42 L62 W64 D79 W80 K85 L86 K87 I96T40-L83 HydrophobicContact CG2-CD1 4.38Å; T40-L83 HydrophobicContact CG2-CD2 4.18Å; V42-L83 HydrophobicContact CG2-CD2 3.85Å; L62-L83 HydrophobicContact CD1-CD1 3.86Å; L62-L83 HydrophobicContact CD1-CD2 3.76Å; L62-L83 HydrophobicContact CD1-CG 4.41Å; W64-L83 HydrophobicContact CH2-CB 4Å; W64-L83 HydrophobicContact CH2-CD2 3.73Å; W64-L83 HydrophobicContact CH2-CG 4.42Å; W64-L83 HydrophobicContact CZ3-CD2 4.12Å; D79-L83 VanDerWaalsContact O-CB 3.31Å; D79-L83 WeakPolarHBondContact O-CB 3.41Å; D79-L83 PolarHBondContact O-N 3.42Å; W80-L83 HydrophobicContact CE3-CD2 4.15Å; W80-L83 HydrophobicContact CZ3-CD2 4.27Å; W80-L83 WeakPolarHBondContact O-CB 3.18Å; W80-L83 PolarHBondContact O-N 3.2Å; L83-K85 PolarHBondContact O-N 2.99Å; L83-L86 PolarHBondContact O-N 3.21Å; L83-K87 HydrophobicContact CD1-CG 3.63Å; L83-K87 HydrophobicContact CG-CG 4.18Å; L83-K87 WeakPolarHBondContact O-CB 3.37Å; L83-K87 PolarHBondContact O-N 3.41Å; L83-I96 HydrophobicContact CD2-CD1 4.42Å; L83-I96 HydrophobicContact CG-CD1 4.39Å
84L96.2Very high95.4Very high0 Ų056.5 Ų56.50%029%0.289CS..Hα-helixtrans-60.4-47.2-179-61.8-162.1000111.9M13 F15 W80 N82 L86 F88 I96 A114 L154 I162M13-L84 HydrophobicContact SD-CD1 4.17Å; F15-L84 HydrophobicContact CE1-CD1 3.88Å; F15-L84 HydrophobicContact CE1-CD2 3.68Å; F15-L84 HydrophobicContact CE1-CG 4.43Å; F15-L84 HydrophobicContact CZ-CD1 3.77Å; F15-L84 HydrophobicContact CZ-CD2 4.34Å; W80-L84 HydrophobicContact CD2-CD1 4.24Å; W80-L84 HydrophobicContact CD2-CD2 4.04Å; W80-L84 HydrophobicContact CD2-CG 4.04Å; W80-L84 HydrophobicContact CE3-CD2 3.81Å; W80-L84 HydrophobicContact CE3-CG 4.28Å; W80-L84 HydrophobicContact CH2-CD1 4.48Å; W80-L84 HydrophobicContact CH2-CD2 3.61Å; W80-L84 HydrophobicContact CH2-CG 4.45Å; W80-L84 HydrophobicContact CZ2-CD1 3.78Å; W80-L84 HydrophobicContact CZ2-CD2 3.77Å; W80-L84 HydrophobicContact CZ2-CG 4.14Å; W80-L84 HydrophobicContact CZ3-CD2 3.62Å; W80-L84 HydrophobicContact CZ3-CG 4.5Å; W80-L84 VanDerWaalsContact O-CG 3.3Å; W80-L84 WeakPolarHBondContact O-CG 3.23Å; W80-L84 PolarHBondContact O-N 3.47Å; N82-L84 PolarHBondContact O-N 3.27Å; L84-L86 VanDerWaalsContact C-N 3.26Å; L84-L86 PolarHBondContact O-N 2.92Å; L84-F88 HydrophobicContact CB-CD2 4.16Å; L84-F88 HydrophobicContact CB-CE2 4.28Å; L84-F88 HydrophobicContact CD2-CD2 4.41Å; L84-F88 HydrophobicContact CD2-CE2 3.79Å; L84-F88 HydrophobicContact CG-CE2 4.41Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 PolarHBondContact O-N 3.2Å; L84-F88 VanDerWaalsContact O-N 3.12Å; L84-I96 HydrophobicContact CD2-CD1 3.54Å; L84-A114 HydrophobicContact CD1-CB 3.38Å; L84-L154 HydrophobicContact CB-CD2 4.24Å; L84-L154 HydrophobicContact CD1-CD1 4.02Å; L84-I162 HydrophobicContact CB-CD1 4.49Å
85K93.6Very high95.5Very high107 Ų10750.5 Ų50.547%0.46526%0.257SS..Hα-helixtrans-60.4-37.7179.6-175.2179.2177.8-176.30112.2L81 N82 L83 R89 L154L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 PolarHBondContact O-N 3.44Å; L81-K85 VanDerWaalsContact O-N 3.1Å; N82-K85 PolarHBondContact O-N 2.86Å; L83-K85 PolarHBondContact O-N 2.99Å; K85-R89 VanDerWaalsContact O-CB 3.24Å; K85-R89 WeakPolarHBondContact O-CB 3.29Å; K85-L154 HydrophobicContact CB-CD2 4.12Å
86L94.3Very high95.6Very high87 Ų8745 Ų4546%0.45523%0.231SC..Hα-helixtrans-73.8-58.6178-173.769.3000110.7N82 L83 L84 F88 R89 E90N82-L86 WeakPolarHBondContact O-CB 3.4Å; N82-L86 PolarHBondContact O-N 3.44Å; L83-L86 PolarHBondContact O-N 3.21Å; L84-L86 VanDerWaalsContact C-N 3.26Å; L84-L86 PolarHBondContact O-N 2.92Å; L86-F88 PolarHBondContact O-N 2.63Å; L86-R89 PolarHBondContact O-N 2.91Å; L86-R89 VanDerWaalsContact O-N 3.16Å; L86-E90 VanDerWaalsContact CD1-CD 3.41Å; L86-E90 HydrophobicContact CD1-CG 4.14Å; L86-E90 WeakPolarHBondContact CD1-OE1 3.31Å; L86-E90 HydrophobicContact CG-CG 4.46Å; L86-E90 WeakPolarHBondContact CG-OE2 3.37Å; L86-E90 WeakPolarHBondContact O-CG 3.17Å; L86-E90 PolarHBondContact O-N 2.95Å
87K95.8Very high95.7Very high27 Ų2744.1 Ų44.112%0.11723%0.227CC..Hα-helixtrans-64.4-46.6-169.8-76.3-61.4-168.9-178.10113.8T40 L83 R89 E90 E91 I96T40-K87 WeakPolarHBondContact OG1-CE 3.28Å; L83-K87 HydrophobicContact CD1-CG 3.63Å; L83-K87 HydrophobicContact CG-CG 4.18Å; L83-K87 WeakPolarHBondContact O-CB 3.37Å; L83-K87 PolarHBondContact O-N 3.41Å; K87-R89 PolarHBondContact O-N 3.39Å; K87-E90 PolarHBondContact O-N 2.89Å; K87-E91 WeakPolarHBondContact CD-OE1 3.32Å; K87-E91 IonicContact NZ-OE1 3.2Å; K87-E91 PolarHBondContact NZ-OE1 2.87Å; K87-E91 WeakPolarHBondContact O-CA 3.41Å; K87-E91 WeakPolarHBondContact O-CB 3.45Å; K87-E91 PolarHBondContact O-N 3.43Å; K87-I96 HydrophobicContact CB-CD1 3.88Å; K87-I96 HydrophobicContact CG-CD1 4.33Å
88F94.6Very high95.6Very high2 Ų244.1 Ų44.11%0.00923%0.227CC..Hα-helixtrans-75-10-179.8-63.9-54.6000113.4M13 R14 F15 L84 L86 C94 I96 I162M13-F88 HydrophobicContact CB-CD2 3.89Å; M13-F88 HydrophobicContact CB-CE1 4.41Å; M13-F88 HydrophobicContact CB-CE2 3.52Å; M13-F88 HydrophobicContact CB-CG 4.44Å; M13-F88 HydrophobicContact CB-CZ 3.83Å; M13-F88 HydrophobicContact CG-CD2 3.45Å; M13-F88 VanDerWaalsContact CG-CD2 3.45Å; M13-F88 HydrophobicContact CG-CE2 3.55Å; M13-F88 HydrophobicContact CG-CG 4.11Å; M13-F88 HydrophobicContact CG-CZ 4.33Å; M13-F88 HydrophobicContact SD-CD2 3.94Å; M13-F88 HydrophobicContact SD-CE2 3.89Å; R14-F88 WeakPolarHBondContact O-CZ 3.38Å; F15-F88 HydrophobicContact CD1-CZ 4.22Å; F15-F88 AromaticContact CE1-CE2 3.69Å; F15-F88 HydrophobicContact CE1-CE2 3.69Å; F15-F88 AromaticContact CE1-CZ 3.78Å; F15-F88 HydrophobicContact CE1-CZ 3.78Å; F15-F88 AromaticContact CZ-CE2 3.75Å; F15-F88 HydrophobicContact CZ-CE2 3.75Å; F15-F88 HydrophobicContact CZ-CZ 4.08Å; L84-F88 HydrophobicContact CB-CD2 4.16Å; L84-F88 HydrophobicContact CB-CE2 4.28Å; L84-F88 HydrophobicContact CD2-CD2 4.41Å; L84-F88 HydrophobicContact CD2-CE2 3.79Å; L84-F88 HydrophobicContact CG-CE2 4.41Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 PolarHBondContact O-N 3.2Å; L84-F88 VanDerWaalsContact O-N 3.12Å; L86-F88 PolarHBondContact O-N 2.63Å; F88-C94 WeakPolarHBondContact CE1-O 3.21Å; F88-I96 HydrophobicContact CD2-CD1 4.5Å; F88-I96 HydrophobicContact CE1-CD1 4.2Å; F88-I96 HydrophobicContact CE1-CG1 4.16Å; F88-I96 HydrophobicContact CE2-CD1 3.94Å; F88-I96 HydrophobicContact CZ-CB 4.34Å; F88-I96 HydrophobicContact CZ-CD1 3.75Å; F88-I96 HydrophobicContact CZ-CG1 3.95Å; F88-I162 HydrophobicContact CB-CB 4.24Å; F88-I162 HydrophobicContact CB-CD1 3.84Å; F88-I162 HydrophobicContact CB-CG2 3.77Å; F88-I162 HydrophobicContact CD2-CD1 3.73Å; F88-I162 HydrophobicContact CG-CD1 4.27Å
89R91.3Very high95.5Very high170 Ų17042.6 Ų42.664%0.64222%0.219SC*.Hα-helixtrans-89.5-46171.7-176.6-179.5-177.1-162-1.7111.6K85 L86 K87 I162K85-R89 VanDerWaalsContact O-CB 3.24Å; K85-R89 WeakPolarHBondContact O-CB 3.29Å; L86-R89 PolarHBondContact O-N 2.91Å; L86-R89 VanDerWaalsContact O-N 3.16Å; K87-R89 PolarHBondContact O-N 3.39Å; R89-I162 HydrophobicContact CB-CG2 4.1Å
90E93.3Very high94.9Very high123 Ų12340.4 Ų40.458%0.57521%0.208SC*.Hα-helixtrans-75.3-32.6-178.7-69.2-176.1157.900112.7L86 K87 P92L86-E90 VanDerWaalsContact CD1-CD 3.41Å; L86-E90 HydrophobicContact CD1-CG 4.14Å; L86-E90 WeakPolarHBondContact CD1-OE1 3.31Å; L86-E90 HydrophobicContact CG-CG 4.46Å; L86-E90 WeakPolarHBondContact CG-OE2 3.37Å; L86-E90 WeakPolarHBondContact O-CG 3.17Å; L86-E90 PolarHBondContact O-N 2.95Å; K87-E90 PolarHBondContact O-N 2.89Å; E90-P92 WeakPolarHBondContact O-CD 3.24Å
91E93.7Very high93.9Very high60 Ų6044.4 Ų44.428%0.2823%0.232SC..SBendtrans-125.373.1-177.1-57.9169-144.400110.2T39 K87 G93 C94T39-E91 WeakPolarHBondContact CB-OE2 3.26Å; T39-E91 VanDerWaalsContact CG2-OE2 3.22Å; T39-E91 WeakPolarHBondContact CG2-OE2 3.37Å; T39-E91 PolarHBondContact OG1-OE2 3.12Å; K87-E91 WeakPolarHBondContact CD-OE1 3.32Å; K87-E91 IonicContact NZ-OE1 3.2Å; K87-E91 PolarHBondContact NZ-OE1 2.87Å; K87-E91 WeakPolarHBondContact O-CA 3.41Å; K87-E91 WeakPolarHBondContact O-CB 3.45Å; K87-E91 PolarHBondContact O-N 3.43Å; E91-G93 PolarHBondContact O-N 3.46Å; E91-C94 HydrophobicContact CB-CB 3.78Å; E91-C94 VanDerWaalsContact O-CB 3.25Å; E91-C94 WeakPolarHBondContact O-CB 3.44Å; E91-C94 PolarHBondContact O-N 2.91Å; E91-C94 PolarHBondContact O-SG 3.02Å
92P92.7Very high92.6Very high107 Ų10746.7 Ų46.770%0.69525%0.251SS*.THydrogen-bonded Turntrans-54.7128.3179.9-26.935.5000112.6E90 C94E90-P92 WeakPolarHBondContact O-CD 3.24Å; P92-C94 VanDerWaalsContact C-N 3.32Å
93G92.9Very high90.8Very high43 Ų4342.7 Ų42.744%0.44323%0.23SC..THydrogen-bonded Turntrans83.30.1-179.800000115.1R14 E91R14-G93 PolarHBondContact NH1-O 3.36Å; E91-G93 PolarHBondContact O-N 3.46Å
94C96.6Very high89.2Confident10 Ų1045.5 Ų45.57%0.06824%0.244CC..  trans-61.8165.4171.278.40000111.7T39 F88 E91 P92T39-C94 HydrophobicContact CG2-CB 4.08Å; F88-C94 WeakPolarHBondContact CE1-O 3.21Å; E91-C94 HydrophobicContact CB-CB 3.78Å; E91-C94 VanDerWaalsContact O-CB 3.25Å; E91-C94 WeakPolarHBondContact O-CB 3.44Å; E91-C94 PolarHBondContact O-N 2.91Å; E91-C94 PolarHBondContact O-SG 3.02Å; P92-C94 VanDerWaalsContact C-N 3.32Å
95C98.3Very high88.3Confident0 Ų046.2 Ų46.20%025%0.252CS..EExtended strand (participates in β ladder)trans-121142.5174.9-171.20000110.4R14 Y36 G37 V38 T39R14-C95 HydrophobicContact CB-CB 4.2Å; R14-C95 WeakPolarHBondContact O-CA 3.29Å; Y36-C95 WeakPolarHBondContact O-CB 3.46Å; G37-C95 PolarHBondContact O-N 2.8Å; V38-C95 VanDerWaalsContact CA-O 3.24Å; V38-C95 WeakPolarHBondContact CA-O 3.46Å; V38-C95 HydrophobicContact CG2-CB 3.91Å; T39-C95 PolarHBondContact N-O 2.86Å
96I98.6Very high88.1Confident0 Ų042.9 Ų42.90%024%0.236CC..EExtended strand (participates in β ladder)trans-111.7118.1173.1-61.6175.6000108.6R14 F15 L16 T40 V42 W80 L83 L84 K87 F88R14-I96 PolarHBondContact O-N 3.16Å; F15-I96 CarbonylContact C-O 3.48Å; F15-I96 VanDerWaalsContact CA-O 3.24Å; F15-I96 WeakPolarHBondContact CA-O 3.22Å; F15-I96 HydrophobicContact CD1-CB 4.39Å; L16-I96 PolarHBondContact N-O 2.87Å; T40-I96 CarbonylContact O-C 3.6Å; T40-I96 WeakPolarHBondContact O-CA 3.36Å; V42-I96 HydrophobicContact CG2-CG2 4.27Å; W80-I96 HydrophobicContact CH2-CG2 4.15Å; W80-I96 HydrophobicContact CZ3-CG2 3.85Å; L83-I96 HydrophobicContact CD2-CD1 4.42Å; L83-I96 HydrophobicContact CG-CD1 4.39Å; L84-I96 HydrophobicContact CD2-CD1 3.54Å; K87-I96 HydrophobicContact CB-CD1 3.88Å; K87-I96 HydrophobicContact CG-CD1 4.33Å; F88-I96 HydrophobicContact CD2-CD1 4.5Å; F88-I96 HydrophobicContact CE1-CD1 4.2Å; F88-I96 HydrophobicContact CE1-CG1 4.16Å; F88-I96 HydrophobicContact CE2-CD1 3.94Å; F88-I96 HydrophobicContact CZ-CB 4.34Å; F88-I96 HydrophobicContact CZ-CD1 3.75Å; F88-I96 HydrophobicContact CZ-CG1 3.95Å
97A97.9Very high88Confident0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-84.3142.6174.800000111.1L16 L33 V38 T40 V41 V42L16-A97 HydrophobicContact CB-CB 4.14Å; L16-A97 CarbonylContact O-C 3.58Å; L16-A97 WeakPolarHBondContact O-CA 3.46Å; L33-A97 HydrophobicContact CD2-CB 3.81Å; V38-A97 HydrophobicContact CG1-CB 3.72Å; V38-A97 HydrophobicContact CG2-CB 4.1Å; T40-A97 PolarHBondContact O-N 2.97Å; V41-A97 CarbonylContact C-O 3.56Å; V41-A97 WeakPolarHBondContact CA-O 3.18Å; V41-A97 HydrophobicContact CG2-CB 4.1Å; V42-A97 PolarHBondContact N-O 3.36Å
98V96.9Very high88Confident0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-131.7128.4173.5-168.50000108.5L16 I17 T18 V42 V44 W80 A107 L110 V111L16-V98 PolarHBondContact O-N 3.32Å; I17-V98 WeakPolarHBondContact CA-O 3.14Å; T18-V98 PolarHBondContact N-O 2.93Å; V42-V98 HydrophobicContact CB-CG1 4.39Å; V42-V98 HydrophobicContact CB-CG2 4.41Å; V42-V98 WeakPolarHBondContact O-CA 3.36Å; V44-V98 HydrophobicContact CG1-CG1 3.96Å; V44-V98 HydrophobicContact CG2-CG1 4.48Å; W80-V98 HydrophobicContact CH2-CG2 3.62Å; W80-V98 HydrophobicContact CZ3-CG2 3.99Å; V98-A107 HydrophobicContact CB-CB 4.13Å; V98-A107 HydrophobicContact CG1-CB 3.66Å; V98-L110 HydrophobicContact CG1-CD1 4.26Å; V98-V111 HydrophobicContact CG2-CG2 4.46Å
99H92.6Very high88Confident1 Ų137.4 Ų37.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-137.8150.1175.580.182.3000113.1T18 N20 V42 R43 V44 Y49T18-H99 WeakPolarHBondContact OG1-CB 3.24Å; N20-H99 PolarHBondContact OD1-CE1 3.46Å; N20-H99 PolarHBondContact OD1-ND1 3.24Å; V42-H99 PolarHBondContact O-N 3.26Å; R43-H99 WeakPolarHBondContact CG-NE2 3.41Å; V44-H99 VanDerWaalsContact CG2-O 3.3Å; V44-H99 WeakPolarHBondContact CG2-O 3.41Å; V44-H99 PolarHBondContact N-O 2.94Å; Y49-H99 AromaticContact CE1-CE1 3.72Å; Y49-H99 AromaticContact CE1-NE2 3.63Å; Y49-H99 AromaticContact CZ-NE2 3.88Å; Y49-H99 PolarHBondContact OH-NE2 3.3Å
100C85.2Confident88.3Confident8 Ų829.3 Ų29.35%0.05418%0.178CC..  trans-110.8-140167.4-1730000106.2N20 V44 C45 R106N20-C100 WeakPolarHBondContact CB-O 3.27Å; V44-C100 HydrophobicContact CG2-CB 3.86Å; C45-C100 VanDerWaalsContact SG-CA 3.56Å; C100-R106 HydrophobicContact CB-CB 4.18Å; C100-R106 VanDerWaalsContact SG-CZ 3.59Å; C100-R106 PolarHBondContact SG-NE 3.29Å
101V77.6Confident88.5Confident84 Ų8423.5 Ų23.551%0.50915%0.151SC..SBendtrans-81.2-64.5170.8-174.80000111.1N20 C45N20-V101 VanDerWaalsContact CB-O 3.28Å; N20-V101 WeakPolarHBondContact CB-O 3.46Å; N20-V101 PolarHBondContact N-O 3.12Å; N20-V101 VanDerWaalsContact N-O 3.11Å; C45-V101 HydrophobicContact CB-CG2 4.1Å
102A68.3Low88.7Confident50 Ų5020.6 Ų20.641%0.41314%0.138SC..SBendtrans-95.2-6.5-178.500000114.3L104 R133A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 HydrophobicContact CB-CD1 4.21Å; A102-L104 HydrophobicContact CB-CG 4.35Å; A102-L104 PolarHBondContact O-N 2.98Å; A102-R133 PolarHBondContact O-NH2 2.99Å
103G59.3Low88.9Confident0 Ų015.5 Ų15.50%011%0.105CC..SBendtrans67.820.8-176.600000114.9R133G103-R133 PolarHBondContact O-NH2 2.94Å
104L64Low89.1Confident76 Ų7613.5 Ų13.540%0.3988%0.083SC..SBendtrans-104.8-29.4-173.8-70.5172.3000114.9A102 R133 A136 F137A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 HydrophobicContact CB-CD1 4.21Å; A102-L104 HydrophobicContact CB-CG 4.35Å; A102-L104 PolarHBondContact O-N 2.98Å; L104-R133 HydrophobicContact CD2-CG 4.39Å; L104-R133 VanDerWaalsContact CD2-NH2 3.29Å; L104-A136 WeakPolarHBondContact O-CA 3.48Å; L104-F137 PolarHBondContact O-N 3.48Å
105G76.9Confident89.1Confident15 Ų1513 Ų1316%0.1558%0.08CC..SBendtrans-111.1-78.7-173.600000113.2P108 Q141G105-P108 WeakPolarHBondContact O-CD 3.25Å; G105-Q141 VanDerWaalsContact C-NE2 3.27Å; G105-Q141 PolarHBondContact O-NE2 3.4Å
106R89.2Confident89Confident37 Ų3713.5 Ų13.514%0.148%0.083CC..Hα-helixtrans-65.7-45.3-167.2-64-177.3-118.31693.5114V44 F66 D68 C100 V109V44-R106 HydrophobicContact CB-CB 4.47Å; V44-R106 HydrophobicContact CG2-CB 3.66Å; F66-R106 HydrophobicContact CD2-CB 4.49Å; F66-R106 HydrophobicContact CD2-CG 4.14Å; F66-R106 HydrophobicContact CE1-CB 4.39Å; F66-R106 HydrophobicContact CE2-CB 3.6Å; F66-R106 HydrophobicContact CE2-CG 3.56Å; F66-R106 HydrophobicContact CZ-CB 3.55Å; F66-R106 HydrophobicContact CZ-CG 4.07Å; F66-R106 WeakPolarHBondContact O-CD 3.26Å; F66-R106 PolarHBondContact O-NH1 3.4Å; D68-R106 IonicContact OD1-NE 2.67Å; D68-R106 PolarHBondContact OD1-NE 3.48Å; C100-R106 HydrophobicContact CB-CB 4.18Å; C100-R106 VanDerWaalsContact SG-CZ 3.59Å; C100-R106 PolarHBondContact SG-NE 3.29Å; R106-V109 WeakPolarHBondContact O-CB 3.42Å; R106-V109 PolarHBondContact O-N 3.47Å; R106-V109 VanDerWaalsContact O-N 3.07Å
107A93.4Very high88.8Confident0 Ų013.5 Ų13.50%08%0.083CC..Hα-helixtrans-60.3-46.9-178.400000113.4I17 V44 V98 V109 L110 V111I17-A107 HydrophobicContact CG2-CB 4.2Å; V44-A107 HydrophobicContact CG2-CB 4.25Å; V98-A107 HydrophobicContact CB-CB 4.13Å; V98-A107 HydrophobicContact CG1-CB 3.66Å; A107-V109 PolarHBondContact O-N 2.89Å; A107-V109 VanDerWaalsContact O-N 3.14Å; A107-L110 PolarHBondContact O-N 3.4Å; A107-V111 PolarHBondContact O-N 3.5Å
108P94.8Very high88.5Confident0 Ų013.7 Ų13.70%08%0.084CC..Hα-helixtrans-51.9-30.9171-31.734.4000115.8I17 G105 V111 A112 I129 A136 F137I17-P108 HydrophobicContact CD1-CG 4.2Å; G105-P108 WeakPolarHBondContact O-CD 3.25Å; P108-V111 PolarHBondContact O-N 3.27Å; P108-A112 WeakPolarHBondContact O-CB 3.41Å; P108-A112 PolarHBondContact O-N 3.03Å; P108-I129 HydrophobicContact CB-CG2 4.21Å; P108-A136 HydrophobicContact CB-CB 4.24Å; P108-A136 HydrophobicContact CG-CB 4.19Å; P108-F137 VanDerWaalsContact C-CE1 3.45Å; P108-F137 HydrophobicContact CB-CD1 4.14Å; P108-F137 HydrophobicContact CB-CE1 3.49Å; P108-F137 VanDerWaalsContact CB-CE1 3.49Å; P108-F137 HydrophobicContact CB-CE2 4.3Å; P108-F137 HydrophobicContact CB-CZ 3.57Å; P108-F137 WeakPolarHBondContact O-CE1 3.49Å
109V95.6Very high88.3Confident2 Ų216 Ų161%0.01211%0.108CC..Hα-helixtrans-64.5-44.9-179177.60000111.3P72 R106 A107 V111 A112 L113 F137 Q141 Y144 L145P72-V109 HydrophobicContact CG-CG1 4.29Å; R106-V109 WeakPolarHBondContact O-CB 3.42Å; R106-V109 PolarHBondContact O-N 3.47Å; R106-V109 VanDerWaalsContact O-N 3.07Å; A107-V109 PolarHBondContact O-N 2.89Å; A107-V109 VanDerWaalsContact O-N 3.14Å; V109-V111 VanDerWaalsContact C-N 3.34Å; V109-V111 PolarHBondContact O-N 3.14Å; V109-A112 PolarHBondContact O-N 2.95Å; V109-L113 HydrophobicContact CG1-CD1 4.43Å; V109-L113 WeakPolarHBondContact O-CG 3.4Å; V109-L113 PolarHBondContact O-N 3.01Å; V109-F137 HydrophobicContact CG2-CD1 4.08Å; V109-F137 HydrophobicContact CG2-CE1 4.17Å; V109-Q141 HydrophobicContact CG2-CB 3.95Å; V109-Q141 HydrophobicContact CG2-CG 3.77Å; V109-Y144 HydrophobicContact CG1-CD1 4.03Å; V109-Y144 HydrophobicContact CG1-CE1 3.89Å; V109-L145 HydrophobicContact CG1-CD2 4.45Å
110L96.9Very high88.4Confident0 Ų017.2 Ų17.20%011%0.114CC..Hα-helixtrans-64-41.1177.5-66-169.2000111.7V42 V44 F66 P72 I76 W80 V98 A107 A112 L113 A114V42-L110 HydrophobicContact CG1-CD1 4.25Å; V44-L110 HydrophobicContact CG1-CD1 3.51Å; V44-L110 HydrophobicContact CG1-CG 4.34Å; F66-L110 HydrophobicContact CE1-CG 4.48Å; P72-L110 HydrophobicContact CB-CD2 4.26Å; P72-L110 HydrophobicContact CG-CD2 4.23Å; I76-L110 HydrophobicContact CG2-CD2 4.21Å; W80-L110 HydrophobicContact CD2-CB 4.22Å; W80-L110 HydrophobicContact CD2-CD1 4.37Å; W80-L110 HydrophobicContact CE3-CD1 4.46Å; W80-L110 HydrophobicContact CG-CB 4.5Å; W80-L110 HydrophobicContact CG-CD2 4.43Å; W80-L110 HydrophobicContact CZ2-CB 4.06Å; W80-L110 PolarHBondContact NE1-O 2.91Å; V98-L110 HydrophobicContact CG1-CD1 4.26Å; A107-L110 PolarHBondContact O-N 3.4Å; L110-A112 PolarHBondContact O-N 3.46Å; L110-L113 HydrophobicContact CD2-CD1 4.21Å; L110-L113 PolarHBondContact O-N 3.45Å; L110-A114 PolarHBondContact O-N 3.34Å; L110-A114 VanDerWaalsContact O-N 3.09Å
111V97.3Very high89Confident0 Ų023.6 Ų23.60%014%0.14CC..Hα-helixtrans-63.5-42.3176.4-177.70000110.8I8 F15 I17 V98 A107 P108 V109 L113 A114 L115 I129I8-V111 HydrophobicContact CB-CG1 4.15Å; I8-V111 HydrophobicContact CG1-CG1 4.33Å; I8-V111 HydrophobicContact CG2-CG1 3.94Å; F15-V111 HydrophobicContact CB-CG1 4.26Å; F15-V111 HydrophobicContact CB-CG2 4.09Å; F15-V111 HydrophobicContact CD2-CG1 3.87Å; F15-V111 HydrophobicContact CE2-CG1 4.47Å; F15-V111 HydrophobicContact CG-CG1 4.12Å; F15-V111 HydrophobicContact CG-CG2 4.23Å; I17-V111 HydrophobicContact CD1-CG2 4.1Å; I17-V111 HydrophobicContact CG1-CG2 4.07Å; V98-V111 HydrophobicContact CG2-CG2 4.46Å; A107-V111 PolarHBondContact O-N 3.5Å; P108-V111 PolarHBondContact O-N 3.27Å; V109-V111 VanDerWaalsContact C-N 3.34Å; V109-V111 PolarHBondContact O-N 3.14Å; V111-L113 PolarHBondContact O-N 3.32Å; V111-A114 WeakPolarHBondContact O-CB 3.37Å; V111-A114 PolarHBondContact O-N 2.96Å; V111-L115 WeakPolarHBondContact O-CG 3.48Å; V111-L115 PolarHBondContact O-N 3.11Å; V111-L115 VanDerWaalsContact O-N 3.14Å; V111-I129 HydrophobicContact CB-CD1 4.18Å; V111-I129 HydrophobicContact CG1-CD1 4Å; V111-I129 HydrophobicContact CG1-CG1 4.46Å
112A97.2Very high89.9Confident0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-61.3-43175.600000112.2P108 V109 L110 A114 L115 I116 I129 F137 L145P108-A112 WeakPolarHBondContact O-CB 3.41Å; P108-A112 PolarHBondContact O-N 3.03Å; V109-A112 PolarHBondContact O-N 2.95Å; L110-A112 PolarHBondContact O-N 3.46Å; A112-A114 VanDerWaalsContact C-N 3.27Å; A112-A114 PolarHBondContact O-N 2.82Å; A112-L115 PolarHBondContact O-N 3.49Å; A112-I116 WeakPolarHBondContact O-CD1 3.3Å; A112-I116 VanDerWaalsContact O-CG1 3.25Å; A112-I116 WeakPolarHBondContact O-CG1 3.4Å; A112-I116 PolarHBondContact O-N 2.81Å; A112-I129 HydrophobicContact CB-CD1 3.84Å; A112-F137 HydrophobicContact CB-CE1 4.08Å; A112-F137 HydrophobicContact CB-CZ 3.92Å; A112-L145 HydrophobicContact CB-CD1 3.91Å; A112-L145 HydrophobicContact CB-CD2 3.87Å
113L97.1Very high91.3Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-58.1-40.8175.4-71.5173.1000111.8P72 V77 V109 L110 V111 I116 E117 Y144 L145 Y148P72-L113 HydrophobicContact CG-CD1 4.03Å; V77-L113 HydrophobicContact CG1-CD1 4.41Å; V77-L113 HydrophobicContact CG2-CD1 3.87Å; V109-L113 HydrophobicContact CG1-CD1 4.43Å; V109-L113 WeakPolarHBondContact O-CG 3.4Å; V109-L113 PolarHBondContact O-N 3.01Å; L110-L113 HydrophobicContact CD2-CD1 4.21Å; L110-L113 PolarHBondContact O-N 3.45Å; V111-L113 PolarHBondContact O-N 3.32Å; L113-I116 PolarHBondContact O-N 2.63Å; L113-E117 WeakPolarHBondContact O-CB 3.43Å; L113-E117 VanDerWaalsContact O-CG 3.27Å; L113-E117 WeakPolarHBondContact O-CG 3.46Å; L113-E117 PolarHBondContact O-N 3.3Å; L113-Y144 HydrophobicContact CD1-CE1 4.25Å; L113-Y144 HydrophobicContact CD2-CE1 4.03Å; L113-Y144 HydrophobicContact CG-CE1 4.44Å; L113-L145 HydrophobicContact CD2-CD2 4.19Å; L113-L145 HydrophobicContact CG-CD2 4.4Å; L113-Y148 HydrophobicContact CD2-CD1 3.68Å; L113-Y148 HydrophobicContact CD2-CD2 3.55Å; L113-Y148 HydrophobicContact CD2-CE1 3.71Å; L113-Y148 HydrophobicContact CD2-CE2 3.58Å; L113-Y148 HydrophobicContact CD2-CG 3.61Å
114A96.9Very high93.1Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-60.5-48.2175.800000111.6M13 F15 W80 L84 L110 V111 A112 I116 E117 C118M13-A114 HydrophobicContact CE-CB 4.3Å; F15-A114 HydrophobicContact CE1-CB 4.43Å; F15-A114 HydrophobicContact CE2-CB 4.15Å; F15-A114 HydrophobicContact CZ-CB 3.66Å; W80-A114 HydrophobicContact CZ2-CB 4.34Å; L84-A114 HydrophobicContact CD1-CB 3.38Å; L110-A114 PolarHBondContact O-N 3.34Å; L110-A114 VanDerWaalsContact O-N 3.09Å; V111-A114 WeakPolarHBondContact O-CB 3.37Å; V111-A114 PolarHBondContact O-N 2.96Å; A112-A114 VanDerWaalsContact C-N 3.27Å; A112-A114 PolarHBondContact O-N 2.82Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 3.38Å; A114-E117 PolarHBondContact O-N 2.85Å; A114-C118 PolarHBondContact O-N 3.21Å; A114-C118 VanDerWaalsContact O-N 3.12Å; A114-C118 PolarHBondContact O-SG 3.37Å
115L96.6Very high94.7Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-60.3-42.2178.1-59.8178.9000111.8Y10 V111 A112 C118 G119 M120 A125 F128 I129Y10-L115 HydrophobicContact CD1-CD2 3.69Å; Y10-L115 HydrophobicContact CD2-CD2 4.3Å; Y10-L115 HydrophobicContact CG-CD2 3.51Å; V111-L115 WeakPolarHBondContact O-CG 3.48Å; V111-L115 PolarHBondContact O-N 3.11Å; V111-L115 VanDerWaalsContact O-N 3.14Å; A112-L115 PolarHBondContact O-N 3.49Å; L115-C118 WeakPolarHBondContact O-CB 3.35Å; L115-C118 PolarHBondContact O-N 2.92Å; L115-G119 PolarHBondContact O-N 2.83Å; L115-M120 HydrophobicContact CB-CB 4.18Å; L115-M120 HydrophobicContact CB-CE 4.37Å; L115-M120 HydrophobicContact CB-SD 3.94Å; L115-M120 HydrophobicContact CD1-CE 4.46Å; L115-M120 HydrophobicContact CD1-SD 4.03Å; L115-M120 HydrophobicContact CD2-CE 4.37Å; L115-M120 HydrophobicContact CG-SD 4.47Å; L115-M120 WeakPolarHBondContact O-CB 3.43Å; L115-M120 PolarHBondContact O-N 3.1Å; L115-M120 VanDerWaalsContact O-N 3.08Å; L115-A125 HydrophobicContact CB-CB 4Å; L115-A125 HydrophobicContact CD1-CB 4.13Å; L115-F128 HydrophobicContact CD1-CD1 3.8Å; L115-F128 HydrophobicContact CD1-CE1 4.49Å; L115-I129 HydrophobicContact CD1-CD1 4.04Å; L115-I129 HydrophobicContact CD1-CG1 4.15Å
116I96.6Very high95.7Very high10 Ų1024.8 Ų24.85%0.05113%0.127CC..Hα-helixtrans-67.1-43.1-179.9-65.1162.9000111.3A112 L113 A114 C118 G119 M120 A125 L145 Y148 P150A112-I116 WeakPolarHBondContact O-CD1 3.3Å; A112-I116 VanDerWaalsContact O-CG1 3.25Å; A112-I116 WeakPolarHBondContact O-CG1 3.4Å; A112-I116 PolarHBondContact O-N 2.81Å; L113-I116 PolarHBondContact O-N 2.63Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 3.38Å; I116-C118 PolarHBondContact O-N 3.37Å; I116-G119 WeakPolarHBondContact O-CA 3.39Å; I116-G119 PolarHBondContact O-N 3.47Å; I116-M120 WeakPolarHBondContact CA-O 3.15Å; I116-A125 HydrophobicContact CD1-CB 4.46Å; I116-A125 HydrophobicContact CG1-CB 3.98Å; I116-L145 HydrophobicContact CD1-CD2 3.96Å; I116-Y148 HydrophobicContact CG2-CD1 3.94Å; I116-Y148 HydrophobicContact CG2-CE1 4.27Å; I116-P150 HydrophobicContact CG2-CB 4.19Å; I116-P150 HydrophobicContact CG2-CG 4.33Å
117E94.9Very high96Very high0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-62-23.4174.3-76-71.3158.900113L81 L113 A114 G119 Y148 P150 K151 M152 R153 L154L81-E117 HydrophobicContact CD1-CG 3.75Å; L81-E117 HydrophobicContact CD2-CB 4.14Å; L81-E117 HydrophobicContact CD2-CG 3.66Å; L81-E117 HydrophobicContact CG-CG 4.35Å; L113-E117 WeakPolarHBondContact O-CB 3.43Å; L113-E117 VanDerWaalsContact O-CG 3.27Å; L113-E117 WeakPolarHBondContact O-CG 3.46Å; L113-E117 PolarHBondContact O-N 3.3Å; A114-E117 PolarHBondContact O-N 2.85Å; E117-G119 VanDerWaalsContact C-N 3.29Å; E117-Y148 HydrophobicContact CG-CE1 4.36Å; E117-Y148 WeakPolarHBondContact OE1-CE1 3.35Å; E117-Y148 PolarHBondContact OE1-OH 3.5Å; E117-P150 VanDerWaalsContact OE1-CA 3.24Å; E117-P150 WeakPolarHBondContact OE1-CA 3.45Å; E117-K151 PolarHBondContact OE1-N 3.4Å; E117-K151 PolarHBondContact OE2-N 3.43Å; E117-M152 WeakPolarHBondContact OE2-CA 3.17Å; E117-M152 PolarHBondContact OE2-N 3.11Å; E117-R153 PolarHBondContact OE2-N 2.99Å; E117-L154 HydrophobicContact CB-CB 4.23Å; E117-L154 HydrophobicContact CB-CD1 3.83Å; E117-L154 HydrophobicContact CB-CG 3.98Å
118C92Very high96.2Very high4 Ų431 Ų313%0.02716%0.157CC..THydrogen-bonded Turntrans-85.73.1173.1-62.30000114.2Y10 M13 A114 L115 I116 C161Y10-C118 HydrophobicContact CD1-CB 4.13Å; Y10-C118 HydrophobicContact CE1-CB 3.63Å; M13-C118 HydrophobicContact CE-CB 4.44Å; M13-C118 WeakPolarHBondContact CE-SG 3.39Å; A114-C118 PolarHBondContact O-N 3.21Å; A114-C118 VanDerWaalsContact O-N 3.12Å; A114-C118 PolarHBondContact O-SG 3.37Å; L115-C118 WeakPolarHBondContact O-CB 3.35Å; L115-C118 PolarHBondContact O-N 2.92Å; I116-C118 PolarHBondContact O-N 3.37Å; C118-C161 HydrophobicContact CB-CB 3.66Å; C118-C161 VanDerWaalsContact CB-SG 3.54Å; C118-C161 PolarHBondContact O-SG 3.16Å; C118-C161 WeakPolarHBondContact SG-CB 3.49Å
119G92.4Very high96.3Very high48 Ų4831 Ų3150%0.49516%0.157SC..THydrogen-bonded Turntrans98.16.5175.300000115.2L115 I116 E117L115-G119 PolarHBondContact O-N 2.83Å; I116-G119 WeakPolarHBondContact O-CA 3.39Å; I116-G119 PolarHBondContact O-N 3.47Å; E117-G119 VanDerWaalsContact C-N 3.29Å
120M95.1Very high96.3Very high27 Ų2734.6 Ų34.613%0.13317%0.17CC..  trans-72.4140.3171.9-166.2174.8-69.400109.9Y10 L115 I116 D124 A125 F128Y10-M120 HydrophobicContact CD2-CE 3.53Å; Y10-M120 HydrophobicContact CE1-CE 4.37Å; Y10-M120 HydrophobicContact CE2-CE 3.25Å; Y10-M120 HydrophobicContact CG-CE 4.22Å; L115-M120 HydrophobicContact CB-CB 4.18Å; L115-M120 HydrophobicContact CB-CE 4.37Å; L115-M120 HydrophobicContact CB-SD 3.94Å; L115-M120 HydrophobicContact CD1-CE 4.46Å; L115-M120 HydrophobicContact CD1-SD 4.03Å; L115-M120 HydrophobicContact CD2-CE 4.37Å; L115-M120 HydrophobicContact CG-SD 4.47Å; L115-M120 WeakPolarHBondContact O-CB 3.43Å; L115-M120 PolarHBondContact O-N 3.1Å; L115-M120 VanDerWaalsContact O-N 3.08Å; I116-M120 WeakPolarHBondContact CA-O 3.15Å; M120-D124 HydrophobicContact CG-CB 3.7Å; M120-D124 HydrophobicContact SD-CB 4.21Å; M120-A125 HydrophobicContact CG-CB 4.2Å; M120-A125 WeakPolarHBondContact SD-CA 3.44Å; M120-A125 HydrophobicContact SD-CB 3.79Å; M120-A125 PolarHBondContact SD-N 2.9Å; M120-A125 VanDerWaalsContact SD-N 3.44Å; M120-F128 HydrophobicContact SD-CB 4.42Å
121K96.4Very high96.2Very high142 Ų14241.6 Ų41.662%0.61720%0.203SC*.  trans-67.8152.8170.7-62.3-177178.4177.70109.9E123 D124 A125K121-E123 VanDerWaalsContact C-N 3.28Å; K121-E123 WeakPolarHBondContact CB-OE2 3.33Å; K121-E123 PolarHBondContact O-N 3.05Å; K121-D124 HydrophobicContact CB-CB 4.47Å; K121-D124 PolarHBondContact O-N 3.25Å; K121-A125 PolarHBondContact O-N 2.95Å
122Y97.1Very high95.9Very high65 Ų6548 Ų4826%0.25523%0.231SC..Hα-helixtrans-64.9-35.9-175.486.3-86.7000111.6D124 A125 V126 L145 E146Y122-D124 VanDerWaalsContact C-N 3.35Å; Y122-A125 PolarHBondContact O-N 3.22Å; Y122-V126 WeakPolarHBondContact O-CB 3.48Å; Y122-V126 VanDerWaalsContact O-CG2 3.27Å; Y122-V126 WeakPolarHBondContact O-CG2 3.49Å; Y122-V126 PolarHBondContact O-N 3.37Å; Y122-L145 HydrophobicContact CD2-CB 4.24Å; Y122-E146 HydrophobicContact CD2-CB 4.24Å; Y122-E146 HydrophobicContact CE1-CB 4.17Å; Y122-E146 HydrophobicContact CE1-CG 4.05Å; Y122-E146 HydrophobicContact CE2-CB 3.72Å; Y122-E146 HydrophobicContact CE2-CG 4.29Å
123E97.6Very high95.6Very high91 Ų9148.6 Ų48.643%0.42523%0.233SC..Hα-helixtrans-60.8-46.6176.6-55.190.5151.500110.5K121 V126 Q127K121-E123 VanDerWaalsContact C-N 3.28Å; K121-E123 WeakPolarHBondContact CB-OE2 3.33Å; K121-E123 PolarHBondContact O-N 3.05Å; E123-V126 PolarHBondContact O-N 3.2Å; E123-Q127 VanDerWaalsContact O-CG 3.3Å; E123-Q127 WeakPolarHBondContact O-CG 3.45Å; E123-Q127 PolarHBondContact O-N 3.18Å
124D97.6Very high95.1Very high89 Ų8959.8 Ų59.848%0.47628%0.275SS..Hα-helixtrans-64.7-41.8178.3-63.7-32000111M120 K121 Y122 Q127 F128M120-D124 HydrophobicContact CG-CB 3.7Å; M120-D124 HydrophobicContact SD-CB 4.21Å; K121-D124 HydrophobicContact CB-CB 4.47Å; K121-D124 PolarHBondContact O-N 3.25Å; Y122-D124 VanDerWaalsContact C-N 3.35Å; D124-Q127 PolarHBondContact O-N 3.18Å; D124-F128 WeakPolarHBondContact O-CB 3.32Å; D124-F128 PolarHBondContact O-N 3.27Å
125A97.7Very high94.6Very high0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-62.8-43.6177.100000112.2L115 I116 M120 K121 Y122 F128 I129L115-A125 HydrophobicContact CB-CB 4Å; L115-A125 HydrophobicContact CD1-CB 4.13Å; I116-A125 HydrophobicContact CD1-CB 4.46Å; I116-A125 HydrophobicContact CG1-CB 3.98Å; M120-A125 HydrophobicContact CG-CB 4.2Å; M120-A125 WeakPolarHBondContact SD-CA 3.44Å; M120-A125 HydrophobicContact SD-CB 3.79Å; M120-A125 PolarHBondContact SD-N 2.9Å; M120-A125 VanDerWaalsContact SD-N 3.44Å; K121-A125 PolarHBondContact O-N 2.95Å; Y122-A125 PolarHBondContact O-N 3.22Å; A125-F128 PolarHBondContact O-N 3.11Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.36Å; A125-I129 VanDerWaalsContact O-N 3.11Å
126V96.8Very high94.3Very high6 Ų662.5 Ų62.54%0.03630%0.303CS..Hα-helixtrans-61.9-47.2175.7168.50000110.7Y122 E123 I129 R130 F137 L142 L145Y122-V126 WeakPolarHBondContact O-CB 3.48Å; Y122-V126 VanDerWaalsContact O-CG2 3.27Å; Y122-V126 WeakPolarHBondContact O-CG2 3.49Å; Y122-V126 PolarHBondContact O-N 3.37Å; E123-V126 PolarHBondContact O-N 3.2Å; V126-I129 PolarHBondContact O-N 2.96Å; V126-R130 HydrophobicContact CG1-CG 4.45Å; V126-R130 WeakPolarHBondContact O-CB 3.3Å; V126-R130 VanDerWaalsContact O-CG 3.3Å; V126-R130 WeakPolarHBondContact O-CG 3.3Å; V126-R130 PolarHBondContact O-N 3.49Å; V126-F137 HydrophobicContact CB-CD2 4.41Å; V126-F137 HydrophobicContact CB-CE2 4.32Å; V126-F137 HydrophobicContact CG1-CD2 3.89Å; V126-F137 HydrophobicContact CG1-CE2 4.22Å; V126-F137 HydrophobicContact CG2-CD2 4.22Å; V126-F137 HydrophobicContact CG2-CE2 4.2Å; V126-L142 HydrophobicContact CB-CD2 4.36Å; V126-L142 HydrophobicContact CG1-CD2 3.62Å; V126-L142 HydrophobicContact CG2-CD2 3.77Å; V126-L145 HydrophobicContact CG2-CD1 3.79Å
127Q97.1Very high94Very high107 Ų10762.6 Ų62.650%0.530%0.303SS..Hα-helixtrans-65.1-43.5179.4-69.3-60.7-20.600111.9E123 D124 I129 R130 Q131E123-Q127 VanDerWaalsContact O-CG 3.3Å; E123-Q127 WeakPolarHBondContact O-CG 3.45Å; E123-Q127 PolarHBondContact O-N 3.18Å; D124-Q127 PolarHBondContact O-N 3.18Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 2.91Å; Q127-R130 PolarHBondContact O-N 3.2Å; Q127-R130 VanDerWaalsContact O-N 3.16Å; Q127-Q131 WeakPolarHBondContact O-CG 3.35Å; Q127-Q131 PolarHBondContact O-N 2.88Å
128F96.9Very high93.7Very high59 Ų5965.4 Ų65.426%0.25932%0.318SS..Hα-helixtrans-57-45.2178.4-171.8-109.9000111.9I8 T9 L115 M120 D124 A125I8-F128 HydrophobicContact CG2-CD1 4.02Å; I8-F128 HydrophobicContact CG2-CE1 3.63Å; T9-F128 WeakPolarHBondContact O-CZ 3.44Å; L115-F128 HydrophobicContact CD1-CD1 3.8Å; L115-F128 HydrophobicContact CD1-CE1 4.49Å; M120-F128 HydrophobicContact SD-CB 4.42Å; D124-F128 WeakPolarHBondContact O-CB 3.32Å; D124-F128 PolarHBondContact O-N 3.27Å; A125-F128 PolarHBondContact O-N 3.11Å
129I96Very high93.7Very high0 Ų070 Ų700%035%0.35CS..Hα-helixtrans-70.7-40.8177-67.2165.7000111I8 I17 P108 V111 A112 L115 A125 V126 Q127 Q131 K132 R133 A136 F137I8-I129 HydrophobicContact CD1-CG1 4.43Å; I17-I129 HydrophobicContact CD1-CG2 4.46Å; P108-I129 HydrophobicContact CB-CG2 4.21Å; V111-I129 HydrophobicContact CB-CD1 4.18Å; V111-I129 HydrophobicContact CG1-CD1 4Å; V111-I129 HydrophobicContact CG1-CG1 4.46Å; A112-I129 HydrophobicContact CB-CD1 3.84Å; L115-I129 HydrophobicContact CD1-CD1 4.04Å; L115-I129 HydrophobicContact CD1-CG1 4.15Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.36Å; A125-I129 VanDerWaalsContact O-N 3.11Å; V126-I129 PolarHBondContact O-N 2.96Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 2.91Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 2.64Å; I129-K132 PolarHBondContact O-N 3.42Å; I129-K132 VanDerWaalsContact O-N 3.1Å; I129-R133 PolarHBondContact O-N 2.73Å; I129-A136 HydrophobicContact CG2-CB 3.94Å; I129-F137 HydrophobicContact CB-CE2 4Å; I129-F137 HydrophobicContact CB-CZ 4.23Å; I129-F137 HydrophobicContact CD1-CE2 4.34Å; I129-F137 HydrophobicContact CD1-CZ 3.75Å; I129-F137 HydrophobicContact CG2-CE2 3.93Å; I129-F137 HydrophobicContact CG2-CZ 4.07Å
130R95.2Very high93.7Very high79 Ų7974.8 Ų74.830%0.29836%0.357SS..Hα-helixtrans-64.6-30.3179.2-79.8-179172.1173.4-4.8114V126 Q127 K132 R133 R134 A136 F137V126-R130 HydrophobicContact CG1-CG 4.45Å; V126-R130 WeakPolarHBondContact O-CB 3.3Å; V126-R130 VanDerWaalsContact O-CG 3.3Å; V126-R130 WeakPolarHBondContact O-CG 3.3Å; V126-R130 PolarHBondContact O-N 3.49Å; Q127-R130 PolarHBondContact O-N 3.2Å; Q127-R130 VanDerWaalsContact O-N 3.16Å; R130-K132 PolarHBondContact O-N 2.99Å; R130-R133 CarbonylContact O-C 3.57Å; R130-R133 PolarHBondContact O-N 3.07Å; R130-R134 PolarHBondContact O-N 2.86Å; R130-A136 HydrophobicContact CG-CB 4.17Å; R130-A136 PolarHBondContact NE-O 3.37Å; R130-A136 PolarHBondContact NH2-O 3.17Å; R130-A136 VanDerWaalsContact NH2-O 3.16Å; R130-F137 HydrophobicContact CG-CD2 4.47Å; R130-F137 PolarHBondContact NH2-O 3.48Å
131Q95.1Very high93.5Very high147 Ų14773.7 Ų73.769%0.68735%0.352SS*.Hα-helixtrans-58.4-33.4173.1-76173.412.900112Q127 I129Q127-Q131 WeakPolarHBondContact O-CG 3.35Å; Q127-Q131 PolarHBondContact O-N 2.88Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 2.64Å
132K92.4Very high93.4Very high134 Ų13469.1 Ų69.158%0.58333%0.334SS*.Hα-helixtrans-97.2-30.1-179.5-60-71.9-172.3173.20112.9V6 I8 I129 R130V6-K132 HydrophobicContact CG1-CB 3.45Å; V6-K132 VanDerWaalsContact CG1-CB 3.45Å; V6-K132 HydrophobicContact CG1-CG 4.49Å; I8-K132 HydrophobicContact CD1-CB 3.81Å; I8-K132 HydrophobicContact CD1-CG 3.85Å; I129-K132 PolarHBondContact O-N 3.42Å; I129-K132 VanDerWaalsContact O-N 3.1Å; R130-K132 PolarHBondContact O-N 2.99Å
133R89.4Confident93.3Very high13 Ų1371.9 Ų71.95%0.04935%0.347CS..SBendtrans-131.686.8-179.9-16777.1-174.4-125.3-16.7110.4A4 V6 A102 G103 L104 I129 R130 G135 A136A4-R133 PolarHBondContact O-NH1 3.46Å; V6-R133 HydrophobicContact CG1-CB 4.44Å; V6-R133 HydrophobicContact CG2-CB 4.24Å; A102-R133 PolarHBondContact O-NH2 2.99Å; G103-R133 PolarHBondContact O-NH2 2.94Å; L104-R133 HydrophobicContact CD2-CG 4.39Å; L104-R133 VanDerWaalsContact CD2-NH2 3.29Å; I129-R133 PolarHBondContact O-N 2.73Å; R130-R133 CarbonylContact O-C 3.57Å; R130-R133 PolarHBondContact O-N 3.07Å; R133-G135 PolarHBondContact O-N 2.96Å; R133-A136 HydrophobicContact CB-CB 4.43Å; R133-A136 WeakPolarHBondContact O-CB 3.33Å; R133-A136 PolarHBondContact O-N 3.49Å; R133-A136 VanDerWaalsContact O-N 3.1Å
134R87.3Confident93.2Very high235 Ų23569.4 Ų69.489%0.88734%0.335SS*.THydrogen-bonded Turntrans-57130.6175.5-169.9175.6176.6-175.8-1.5109.6R130R130-R134 PolarHBondContact O-N 2.86Å
135G86.4Confident93.2Very high56 Ų5665.2 Ų65.258%0.57731%0.312SS*.THydrogen-bonded Turntrans89.25.2-177.300000115.2R133R133-G135 PolarHBondContact O-N 2.96Å
136A89.8Confident93.1Very high0 Ų069.4 Ų69.40%033%0.332CS..  trans-60.5140.8169.400000111.4L104 P108 I129 R130 R133L104-A136 WeakPolarHBondContact O-CA 3.48Å; P108-A136 HydrophobicContact CB-CB 4.24Å; P108-A136 HydrophobicContact CG-CB 4.19Å; I129-A136 HydrophobicContact CG2-CB 3.94Å; R130-A136 HydrophobicContact CG-CB 4.17Å; R130-A136 PolarHBondContact NE-O 3.37Å; R130-A136 PolarHBondContact NH2-O 3.17Å; R130-A136 VanDerWaalsContact NH2-O 3.16Å; R133-A136 HydrophobicContact CB-CB 4.43Å; R133-A136 WeakPolarHBondContact O-CB 3.33Å; R133-A136 PolarHBondContact O-N 3.49Å; R133-A136 VanDerWaalsContact O-N 3.1Å
137F90.4Very high93.1Very high12 Ų1275.3 Ų75.35%0.05336%0.357CS..  trans69.4128178.7-43.5-75.9000115.7L104 P108 V109 A112 V126 I129 R130 Q141 L142 L145L104-F137 PolarHBondContact O-N 3.48Å; P108-F137 VanDerWaalsContact C-CE1 3.45Å; P108-F137 HydrophobicContact CB-CD1 4.14Å; P108-F137 HydrophobicContact CB-CE1 3.49Å; P108-F137 VanDerWaalsContact CB-CE1 3.49Å; P108-F137 HydrophobicContact CB-CE2 4.3Å; P108-F137 HydrophobicContact CB-CZ 3.57Å; P108-F137 WeakPolarHBondContact O-CE1 3.49Å; V109-F137 HydrophobicContact CG2-CD1 4.08Å; V109-F137 HydrophobicContact CG2-CE1 4.17Å; A112-F137 HydrophobicContact CB-CE1 4.08Å; A112-F137 HydrophobicContact CB-CZ 3.92Å; V126-F137 HydrophobicContact CB-CD2 4.41Å; V126-F137 HydrophobicContact CB-CE2 4.32Å; V126-F137 HydrophobicContact CG1-CD2 3.89Å; V126-F137 HydrophobicContact CG1-CE2 4.22Å; V126-F137 HydrophobicContact CG2-CD2 4.22Å; V126-F137 HydrophobicContact CG2-CE2 4.2Å; I129-F137 HydrophobicContact CB-CE2 4Å; I129-F137 HydrophobicContact CB-CZ 4.23Å; I129-F137 HydrophobicContact CD1-CE2 4.34Å; I129-F137 HydrophobicContact CD1-CZ 3.75Å; I129-F137 HydrophobicContact CG2-CE2 3.93Å; I129-F137 HydrophobicContact CG2-CZ 4.07Å; R130-F137 HydrophobicContact CG-CD2 4.47Å; R130-F137 PolarHBondContact NH2-O 3.48Å; F137-Q141 HydrophobicContact CB-CB 4.36Å; F137-Q141 HydrophobicContact CD1-CB 4.38Å; F137-L142 HydrophobicContact CB-CD2 3.77Å; F137-L142 HydrophobicContact CB-CG 4.04Å; F137-L142 HydrophobicContact CG-CD2 4.26Å; F137-L145 HydrophobicContact CD1-CD1 3.87Å; F137-L145 HydrophobicContact CE1-CD1 3.74Å; F137-L145 HydrophobicContact CZ-CD1 4.33Å
138N89.9Confident93.1Very high59 Ų5971.4 Ų71.432%0.31634%0.338SS..  trans-89.7172.2163.97042000111.7K140 Q141 L142N138-K140 VanDerWaalsContact C-N 3.3Å; N138-K140 PolarHBondContact O-N 3.35Å; N138-K140 WeakPolarHBondContact OD1-CB 3.39Å; N138-K140 PolarHBondContact OD1-N 3.3Å; N138-Q141 PolarHBondContact O-N 3.1Å; N138-Q141 VanDerWaalsContact O-N 3.11Å; N138-Q141 WeakPolarHBondContact OD1-CG 3.45Å; N138-Q141 PolarHBondContact OD1-N 3.31Å; N138-L142 WeakPolarHBondContact O-CG 3.28Å; N138-L142 PolarHBondContact O-N 2.8Å
139S91.2Very high93Very high102 Ų10278.3 Ų78.371%0.71336%0.362SS*.Hα-helixtrans-58.8-35.5-176.9-49.70000114L142 F143S139-L142 PolarHBondContact O-N 3.36Å; S139-F143 WeakPolarHBondContact O-CB 3.37Å; S139-F143 PolarHBondContact O-N 3.11Å
140K91.6Very high92.8Very high148 Ų14880.8 Ų80.864%0.64338%0.378SS*.Hα-helixtrans-66.8-40.2177.2-62.9-177.9178.7179.80111.4G69 N138 F143 Y144G69-K140 WeakPolarHBondContact O-CB 3.31Å; G69-K140 WeakPolarHBondContact O-CD 3.48Å; N138-K140 VanDerWaalsContact C-N 3.3Å; N138-K140 PolarHBondContact O-N 3.35Å; N138-K140 WeakPolarHBondContact OD1-CB 3.39Å; N138-K140 PolarHBondContact OD1-N 3.3Å; K140-F143 PolarHBondContact O-N 3.48Å; K140-Y144 PolarHBondContact O-N 3.43Å
141Q92.1Very high92.5Very high3 Ų380.9 Ų80.91%0.01438%0.381CS..Hα-helixtrans-69.6-38.4178-69.2168.8-26.300111.9G105 V109 F137 N138 Y144 L145G105-Q141 VanDerWaalsContact C-NE2 3.27Å; G105-Q141 PolarHBondContact O-NE2 3.4Å; V109-Q141 HydrophobicContact CG2-CB 3.95Å; V109-Q141 HydrophobicContact CG2-CG 3.77Å; F137-Q141 HydrophobicContact CB-CB 4.36Å; F137-Q141 HydrophobicContact CD1-CB 4.38Å; N138-Q141 PolarHBondContact O-N 3.1Å; N138-Q141 VanDerWaalsContact O-N 3.11Å; N138-Q141 WeakPolarHBondContact OD1-CG 3.45Å; N138-Q141 PolarHBondContact OD1-N 3.31Å; Q141-Y144 PolarHBondContact O-N 3.36Å; Q141-L145 WeakPolarHBondContact O-CG 3.46Å; Q141-L145 PolarHBondContact O-N 3.4Å
142L94.4Very high91.7Very high46 Ų4677 Ų7724%0.24136%0.363CS..Hα-helixtrans-61.7-46.3172.9-67.2175.4000111.4V126 F137 N138 S139 Y144 L145 E146V126-L142 HydrophobicContact CB-CD2 4.36Å; V126-L142 HydrophobicContact CG1-CD2 3.62Å; V126-L142 HydrophobicContact CG2-CD2 3.77Å; F137-L142 HydrophobicContact CB-CD2 3.77Å; F137-L142 HydrophobicContact CB-CG 4.04Å; F137-L142 HydrophobicContact CG-CD2 4.26Å; N138-L142 WeakPolarHBondContact O-CG 3.28Å; N138-L142 PolarHBondContact O-N 2.8Å; S139-L142 PolarHBondContact O-N 3.36Å; L142-Y144 VanDerWaalsContact C-N 3.3Å; L142-Y144 PolarHBondContact O-N 3.06Å; L142-L145 PolarHBondContact O-N 3.43Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 2.98Å
143F95Very high91.2Very high123 Ų12375.7 Ų75.754%0.53936%0.355SS..Hα-helixtrans-60.5-40176.8-177.4-100.8000112S139 K140 K147S139-F143 WeakPolarHBondContact O-CB 3.37Å; S139-F143 PolarHBondContact O-N 3.11Å; K140-F143 PolarHBondContact O-N 3.48Å; F143-K147 HydrophobicContact CE1-CG 4.23Å; F143-K147 HydrophobicContact CE2-CG 4.42Å; F143-K147 HydrophobicContact CZ-CG 4.16Å; F143-K147 WeakPolarHBondContact O-CG 3.47Å; F143-K147 PolarHBondContact O-N 3.41Å
144Y95.5Very high90.7Very high40 Ų4075.4 Ų75.416%0.15735%0.354CS..Hα-helixtrans-60.7-49.2173.3168.9-107.1000112.2P71 P72 V109 L113 K140 Q141 L142 E146 K147 Y148P71-Y144 HydrophobicContact CB-CD1 4.17Å; P71-Y144 HydrophobicContact CB-CD2 3.31Å; P71-Y144 HydrophobicContact CB-CE1 4.34Å; P71-Y144 HydrophobicContact CB-CE2 3.51Å; P71-Y144 HydrophobicContact CB-CG 3.65Å; P71-Y144 HydrophobicContact CG-CD2 4.22Å; P72-Y144 HydrophobicContact CG-CE1 4.16Å; V109-Y144 HydrophobicContact CG1-CD1 4.03Å; V109-Y144 HydrophobicContact CG1-CE1 3.89Å; L113-Y144 HydrophobicContact CD1-CE1 4.25Å; L113-Y144 HydrophobicContact CD2-CE1 4.03Å; L113-Y144 HydrophobicContact CG-CE1 4.44Å; K140-Y144 PolarHBondContact O-N 3.43Å; Q141-Y144 PolarHBondContact O-N 3.36Å; L142-Y144 VanDerWaalsContact C-N 3.3Å; L142-Y144 PolarHBondContact O-N 3.06Å; Y144-E146 VanDerWaalsContact C-N 3.32Å; Y144-E146 PolarHBondContact O-N 3.14Å; Y144-K147 PolarHBondContact O-N 3.35Å; Y144-Y148 PolarHBondContact O-N 3.11Å
145L96.4Very high89.9Confident1 Ų170.4 Ų70.41%0.00534%0.335CS..Hα-helixtrans-63.9-36.3-179.5-69.7172.3000112.4V109 A112 L113 I116 Y122 V126 F137 Q141 L142 K147 Y148V109-L145 HydrophobicContact CG1-CD2 4.45Å; A112-L145 HydrophobicContact CB-CD1 3.91Å; A112-L145 HydrophobicContact CB-CD2 3.87Å; L113-L145 HydrophobicContact CD2-CD2 4.19Å; L113-L145 HydrophobicContact CG-CD2 4.4Å; I116-L145 HydrophobicContact CD1-CD2 3.96Å; Y122-L145 HydrophobicContact CD2-CB 4.24Å; V126-L145 HydrophobicContact CG2-CD1 3.79Å; F137-L145 HydrophobicContact CD1-CD1 3.87Å; F137-L145 HydrophobicContact CE1-CD1 3.74Å; F137-L145 HydrophobicContact CZ-CD1 4.33Å; Q141-L145 WeakPolarHBondContact O-CG 3.46Å; Q141-L145 PolarHBondContact O-N 3.4Å; L142-L145 PolarHBondContact O-N 3.43Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 2.99Å; L145-Y148 WeakPolarHBondContact O-CB 3.36Å; L145-Y148 PolarHBondContact O-N 3.37Å
146E96.8Very high88.6Confident87 Ų8774.6 Ų74.641%0.40734%0.34SS..Hα-helixtrans-61.7-39.9174.1178-174.8-165.800112.1Y122 L142 Y144Y122-E146 HydrophobicContact CD2-CB 4.24Å; Y122-E146 HydrophobicContact CE1-CB 4.17Å; Y122-E146 HydrophobicContact CE1-CG 4.05Å; Y122-E146 HydrophobicContact CE2-CB 3.72Å; Y122-E146 HydrophobicContact CE2-CG 4.29Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 2.98Å; Y144-E146 VanDerWaalsContact C-N 3.32Å; Y144-E146 PolarHBondContact O-N 3.14Å
147K96.4Very high86.8Confident130 Ų13086.3 Ų86.357%0.56538%0.384SS*.Hα-helixtrans-85-12.5-179.5-62.7-64.1178.2-172.40113.4F143 Y144 L145 R149F143-K147 HydrophobicContact CE1-CG 4.23Å; F143-K147 HydrophobicContact CE2-CG 4.42Å; F143-K147 HydrophobicContact CZ-CG 4.16Å; F143-K147 WeakPolarHBondContact O-CG 3.47Å; F143-K147 PolarHBondContact O-N 3.41Å; Y144-K147 PolarHBondContact O-N 3.35Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 2.99Å; K147-R149 PolarHBondContact O-N 2.74Å
148Y96.9Very high84.7Confident26 Ų2692.9 Ų92.910%0.10242%0.42CS..  trans-62.7132.7-178.6-174.8-103.6000111.2V77 L113 I116 E117 Y144 L145 P150V77-Y148 HydrophobicContact CG1-CE2 4.26Å; L113-Y148 HydrophobicContact CD2-CD1 3.68Å; L113-Y148 HydrophobicContact CD2-CD2 3.55Å; L113-Y148 HydrophobicContact CD2-CE1 3.71Å; L113-Y148 HydrophobicContact CD2-CE2 3.58Å; L113-Y148 HydrophobicContact CD2-CG 3.61Å; I116-Y148 HydrophobicContact CG2-CD1 3.94Å; I116-Y148 HydrophobicContact CG2-CE1 4.27Å; E117-Y148 HydrophobicContact CG-CE1 4.36Å; E117-Y148 WeakPolarHBondContact OE1-CE1 3.35Å; E117-Y148 PolarHBondContact OE1-OH 3.5Å; Y144-Y148 PolarHBondContact O-N 3.11Å; L145-Y148 WeakPolarHBondContact O-CB 3.36Å; L145-Y148 PolarHBondContact O-N 3.37Å; Y148-P150 HydrophobicContact CE1-CB 4.24Å
149R94.4Very high83Confident204 Ų20495.9 Ų95.977%0.7744%0.436SS*.  trans-111.2113.1175.7-66.7-58.9-171.4-157.61.5108.8K147K147-R149 PolarHBondContact O-N 2.74Å
150P92Very high81Confident51 Ų5192.8 Ų92.833%0.33141%0.414SS..  trans-65.4139.5-176.625-32.2000111.2I116 E117 Y148 M152I116-P150 HydrophobicContact CG2-CB 4.19Å; I116-P150 HydrophobicContact CG2-CG 4.33Å; E117-P150 VanDerWaalsContact OE1-CA 3.24Å; E117-P150 WeakPolarHBondContact OE1-CA 3.45Å; Y148-P150 HydrophobicContact CE1-CB 4.24Å; P150-M152 HydrophobicContact CB-SD 3.86Å; P150-M152 HydrophobicContact CG-SD 3.91Å
151K88.9Confident79.3Confident81 Ų8185.9 Ų85.935%0.35238%0.384SS..  trans-81.6-8.2173.3-56.9-178.6-171.2179.40111.5D78 E117 R153D78-K151 VanDerWaalsContact CG-NZ 3.27Å; D78-K151 IonicContact OD1-NZ 3.61Å; D78-K151 PolarHBondContact OD1-NZ 2.98Å; D78-K151 IonicContact OD2-NZ 3.4Å; D78-K151 PolarHBondContact OD2-NZ 3.47Å; E117-K151 PolarHBondContact OE1-N 3.4Å; E117-K151 PolarHBondContact OE2-N 3.43Å; K151-R153 HydrophobicContact CB-CG 3.79Å; K151-R153 PolarHBondContact O-N 3.02Å
152M79.6Confident77.6Confident66 Ų6686.5 Ų86.533%0.32539%0.387SS..  trans58.629.6-177.7-55-59.5-62.200112.8E117 P150 L154 R155E117-M152 WeakPolarHBondContact OE2-CA 3.17Å; E117-M152 PolarHBondContact OE2-N 3.11Å; P150-M152 HydrophobicContact CB-SD 3.86Å; P150-M152 HydrophobicContact CG-SD 3.91Å; M152-L154 VanDerWaalsContact C-N 3.32Å; M152-L154 PolarHBondContact O-N 3.41Å; M152-R155 HydrophobicContact CE-CB 4.04Å; M152-R155 HydrophobicContact CE-CG 4.26Å; M152-R155 PolarHBondContact O-N 3.32Å
153R80.3Confident75.3Confident106 Ų10693.2 Ų93.240%0.442%0.417SS..THydrogen-bonded Turntrans-75.7-22-172.4-74.7-177178.5177.47.4113.7D78 E117 K151D78-R153 IonicContact OD1-CZ 2.59Å; D78-R153 IonicContact OD1-NH1 2.74Å; D78-R153 PolarHBondContact OD1-NH1 3.26Å; D78-R153 IonicContact OD1-NH2 2.98Å; E117-R153 PolarHBondContact OE2-N 2.99Å; K151-R153 HydrophobicContact CB-CG 3.79Å; K151-R153 PolarHBondContact O-N 3.02Å
154L80.1Confident74.3Confident8 Ų891.8 Ų91.84%0.04241%0.411CS..THydrogen-bonded Turntrans-90.4-6.7176.7-58.8-175.7000112.5M13 L81 L84 K85 E117 M152 C161 I162M13-L154 HydrophobicContact SD-CD1 4.26Å; L81-L154 HydrophobicContact CD2-CD1 3.92Å; L81-L154 HydrophobicContact CD2-CG 4.25Å; L84-L154 HydrophobicContact CB-CD2 4.24Å; L84-L154 HydrophobicContact CD1-CD1 4.02Å; K85-L154 HydrophobicContact CB-CD2 4.12Å; E117-L154 HydrophobicContact CB-CB 4.23Å; E117-L154 HydrophobicContact CB-CD1 3.83Å; E117-L154 HydrophobicContact CB-CG 3.98Å; M152-L154 VanDerWaalsContact C-N 3.32Å; M152-L154 PolarHBondContact O-N 3.41Å; L154-C161 VanDerWaalsContact O-CA 3.29Å; L154-C161 WeakPolarHBondContact O-CA 3.45Å; L154-I162 HydrophobicContact CD2-CD1 4.4Å
155R70.9Confident73.2Confident130 Ų13094.5 Ų94.549%0.49142%0.424SS..  trans-99.5125.5179.7-170.8179.3175.7-173.9-3.8110.6M152M152-R155 HydrophobicContact CE-CB 4.04Å; M152-R155 HydrophobicContact CE-CG 4.26Å; M152-R155 PolarHBondContact O-N 3.32Å
156H59.1Low71.9Confident144 Ų14499.7 Ų99.767%0.66745%0.448SS*.  trans-96.7157.1168.2-127.662.9000112.6N158 N159 C160H156-N158 PolarHBondContact O-N 3.31Å; H156-N159 PolarHBondContact O-N 3.42Å; H156-N159 VanDerWaalsContact O-N 3.12Å; H156-C160 PolarHBondContact N-O 3.39Å; H156-C160 VanDerWaalsContact N-O 3.16Å
157R50.6Low70.4Confident246 Ų246100.4 Ų100.493%0.92845%0.45SS*.THydrogen-bonded Turntrans-51-20.9-173-88.3-177.6169.1-178.1-3.6115.4
158N46.5Very low68.8Low150 Ų15098.6 Ų98.680%0.80244%0.443SS*.THydrogen-bonded Turntrans-115.534.8-178.9-68.4-8.2000114.5H156H156-N158 PolarHBondContact O-N 3.31Å
159N53.6Low66.9Low122 Ų122103.4 Ų103.465%0.65247%0.466SS*.SBendtrans80.323.6166.1-132.222.3000117.7H156H156-N159 PolarHBondContact O-N 3.42Å; H156-N159 VanDerWaalsContact O-N 3.12Å
160C50.3Low65Low37 Ų3796.2 Ų96.225%0.2544%0.444CS..  trans-111.7137.7178-137.90000113H156 I162 Q163H156-C160 PolarHBondContact N-O 3.39Å; H156-C160 VanDerWaalsContact N-O 3.16Å; C160-I162 PolarHBondContact SG-O 3.16Å; C160-Q163 HydrophobicContact CB-CB 3.93Å; C160-Q163 HydrophobicContact CB-CG 4.4Å
161C56.2Low62.9Low2 Ų299.7 Ų99.71%0.01445%0.453CS..SBendtrans-111.516178.4-55.70000115.3K11 N12 C118 L154K11-C161 HydrophobicContact CD-CB 3.37Å; K11-C161 VanDerWaalsContact CD-SG 3.54Å; K11-C161 PolarHBondContact NZ-SG 3.45Å; N12-C161 PolarHBondContact OD1-O 2.86Å; C118-C161 HydrophobicContact CB-CB 3.66Å; C118-C161 VanDerWaalsContact CB-SG 3.54Å; C118-C161 PolarHBondContact O-SG 3.16Å; C118-C161 WeakPolarHBondContact SG-CB 3.49Å; L154-C161 VanDerWaalsContact O-CA 3.29Å; L154-C161 WeakPolarHBondContact O-CA 3.45Å
162I55.1Low60.7Low16 Ų16101.3 Ų101.38%0.08246%0.461CS..  -179.7139.9127.9-78.9143000103.6N12 M13 L84 F88 R89 L154 C160N12-I162 WeakPolarHBondContact ND2-CB 3.33Å; N12-I162 WeakPolarHBondContact ND2-CG2 3.42Å; N12-I162 PolarHBondContact ND2-O 3.18Å; N12-I162 WeakPolarHBondContact OD1-CA 3.48Å; N12-I162 WeakPolarHBondContact OD1-CB 3.41Å; N12-I162 PolarHBondContact OD1-N 2.73Å; N12-I162 PolarHBondContact OD1-O 3.02Å; N12-I162 VanDerWaalsContact OD1-O 3.12Å; M13-I162 HydrophobicContact CG-CD1 3.75Å; M13-I162 HydrophobicContact SD-CD1 3.61Å; L84-I162 HydrophobicContact CB-CD1 4.49Å; F88-I162 HydrophobicContact CB-CB 4.24Å; F88-I162 HydrophobicContact CB-CD1 3.84Å; F88-I162 HydrophobicContact CB-CG2 3.77Å; F88-I162 HydrophobicContact CD2-CD1 3.73Å; F88-I162 HydrophobicContact CG-CD1 4.27Å; R89-I162 HydrophobicContact CB-CG2 4.1Å; L154-I162 HydrophobicContact CD2-CD1 4.4Å; C160-I162 PolarHBondContact SG-O 3.16Å
163Q46.8Very low59Low188 Ų188104.5 Ų104.588%0.87947%0.473SS*.  trans-131.60-175.8-155.1176.29.800109C160C160-Q163 HydrophobicContact CB-CB 3.93Å; C160-Q163 HydrophobicContact CB-CG 4.4Å

Retrieved 163 of 163 residues in 341.3 ms (Link to these results)

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