A0A077YXH9_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077YXH9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M31.9Very low61.8Low244 Ų244108.1 Ų108.1100%1.20264%0.643SS**  0106.80-72.4176.2-176.300106.6S3M1-S3 PolarHBondContact O-N 2.97Å
2T27.8Very low64.8Low140 Ų140106.5 Ų106.586%0.85964%0.637SS**  trans-56.1121.2172.738.30000108.1S4T2-S4 PolarHBondContact O-N 3.16Å
3S33.7Very low67.2Low116 Ų116101.6 Ų101.681%0.81162%0.622SS**  trans-62.4107.1166.954.20000106.4M1 S5M1-S3 PolarHBondContact O-N 2.97Å; S3-S5 PolarHBondContact O-N 3.1Å
4S36.2Very low69.3Low91 Ų9199.9 Ų99.964%0.63660%0.604SS**  trans-55108.2168.245.40000107.6T2 E6T2-S4 PolarHBondContact O-N 3.16Å; S4-E6 PolarHBondContact O-N 2.88Å
5S42.2Very low71.1Confident121 Ų12197.7 Ų97.785%0.84659%0.59SS**  trans-72.355.3158.261.20000108.5S3 G7S3-S5 PolarHBondContact O-N 3.1Å; S5-G7 PolarHBondContact O-N 2.76Å
6E59Low72.7Confident165 Ų16592 Ų9277%0.77156%0.556SS**  trans-65.7123.7158.4-83.3-177.4156.500105.1S4S4-E6 PolarHBondContact O-N 2.88Å
7G78.9Confident73.9Confident64 Ų6497.1 Ų97.166%0.6656%0.563SS**  trans-55.5161.5179.400000111.5S5 M9S5-G7 PolarHBondContact O-N 2.76Å; G7-M9 PolarHBondContact O-N 3.47Å
8D88.6Confident74.9Confident68 Ų6895.1 Ų95.136%0.36457%0.566SS.*  trans-44.6135.1177-70.9-11.5000111.5L10 K25 Y35D8-L10 WeakPolarHBondContact CB-O 3.11Å; D8-L10 PolarHBondContact O-N 3.17Å; D8-L10 VanDerWaalsContact O-N 3.17Å; D8-K25 WeakPolarHBondContact OD1-CD 3.49Å; D8-K25 IonicContact OD1-NZ 3.42Å; D8-K25 PolarHBondContact OD1-NZ 3.36Å; D8-Y35 WeakPolarHBondContact CB-OH 3.37Å
9M91.4Very high76Confident73 Ų7392.1 Ų92.136%0.3655%0.546SS..SBendtrans-60.9-28.9-177.9-68.6-175-14600112.2G7 E33 Y35 V51G7-M9 PolarHBondContact O-N 3.47Å; M9-E33 WeakPolarHBondContact CB-OE2 3.31Å; M9-E33 HydrophobicContact CE-CG 4.14Å; M9-E33 WeakPolarHBondContact CG-OE2 3.32Å; M9-E33 PolarHBondContact N-OE2 2.87Å; M9-Y35 PolarHBondContact N-OH 3.07Å; M9-V51 HydrophobicContact CB-CG2 4.19Å; M9-V51 HydrophobicContact SD-CG2 4.01Å
10L95.1Very high77.1Confident0 Ų088.3 Ų88.30%052%0.521CS..SBendtrans-130.6142.7176.8-58.1174000110.3D8 Q14 I16 I22 Y35 V51 F86D8-L10 WeakPolarHBondContact CB-O 3.11Å; D8-L10 PolarHBondContact O-N 3.17Å; D8-L10 VanDerWaalsContact O-N 3.17Å; L10-Q14 VanDerWaalsContact CD2-NE2 3.31Å; L10-I16 HydrophobicContact CD1-CD1 3.8Å; L10-I22 HydrophobicContact CB-CG1 4.19Å; L10-I22 HydrophobicContact CD1-CD1 3.86Å; L10-I22 HydrophobicContact CD1-CG1 4.06Å; L10-Y35 HydrophobicContact CB-CE1 4.07Å; L10-Y35 HydrophobicContact CB-CE2 4.03Å; L10-Y35 HydrophobicContact CD1-CD2 4.04Å; L10-Y35 HydrophobicContact CD1-CE2 4.01Å; L10-Y35 HydrophobicContact CG-CE2 4.23Å; L10-Y35 PolarHBondContact N-OH 2.98Å; L10-Y35 VanDerWaalsContact O-CE1 3.31Å; L10-Y35 WeakPolarHBondContact O-CE1 3.43Å; L10-Y35 PolarHBondContact O-OH 3.26Å; L10-V51 HydrophobicContact CD1-CG1 3.6Å; L10-V51 HydrophobicContact CD1-CG2 4.21Å; L10-V51 HydrophobicContact CG-CG1 4.49Å; L10-F86 HydrophobicContact CD2-CD1 4.32Å; L10-F86 HydrophobicContact CD2-CE1 3.66Å; L10-F86 HydrophobicContact CD2-CE2 4.39Å; L10-F86 HydrophobicContact CD2-CZ 3.7Å
11L95.7Very high78.1Confident107 Ų10788.5 Ų88.556%0.5652%0.516SS*.  trans-104.4149178.3-60.4175.9000111.2G13 Q14L11-G13 PolarHBondContact O-N 3.21Å; L11-Q14 WeakPolarHBondContact O-CB 3.29Å; L11-Q14 PolarHBondContact O-N 2.81Å; L11-Q14 VanDerWaalsContact O-N 3.11Å
12P97Very high81.3Confident89 Ų8977 Ų7758%0.57846%0.459SS*.THydrogen-bonded Turntrans-49135.8168.7-29.537.3000112.4Q14 A23P12-Q14 VanDerWaalsContact C-N 3.3Å; P12-Q14 PolarHBondContact O-N 2.63Å; P12-A23 WeakPolarHBondContact CB-O 3.46Å
13G96.7Very high84.6Confident43 Ų4372.2 Ų72.244%0.44343%0.434SS..THydrogen-bonded Turntrans86.8-16.7-177.700000115.1L11 I22L11-G13 PolarHBondContact O-N 3.21Å; G13-I22 PolarHBondContact N-O 3.15Å
14Q96.6Very high87.6Confident77 Ų7769.2 Ų69.236%0.3641%0.412SS..  trans-63138.9174.7-172.8176.1-22.600110.6L10 L11 P12 K21 I22L10-Q14 VanDerWaalsContact CD2-NE2 3.31Å; L11-Q14 WeakPolarHBondContact O-CB 3.29Å; L11-Q14 PolarHBondContact O-N 2.81Å; L11-Q14 VanDerWaalsContact O-N 3.11Å; P12-Q14 VanDerWaalsContact C-N 3.3Å; P12-Q14 PolarHBondContact O-N 2.63Å; Q14-K21 WeakPolarHBondContact O-CA 3.2Å; Q14-I22 WeakPolarHBondContact O-CG1 3.35Å; Q14-I22 PolarHBondContact O-N 3.08Å
15V96.4Very high90.5Very high67 Ų6768.7 Ų68.741%0.40640%0.398SS..EExtended strand (participates in β ladder)trans-112118.6179.7-170.80000110.7G18 H19 W20 K21V15-G18 VanDerWaalsContact CG1-C 3.42Å; V15-G18 VanDerWaalsContact CG1-CA 3.5Å; V15-H19 VanDerWaalsContact CG1-N 3.35Å; V15-W20 CarbonylContact C-O 3.5Å; V15-W20 WeakPolarHBondContact CA-O 3.28Å; V15-K21 HydrophobicContact CG2-CB 4.1Å; V15-K21 HydrophobicContact CG2-CG 4.11Å
16I96.1Very high93Very high7 Ų766.6 Ų66.64%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-81.1122.4174.7-57.5173.2000108.7L10 G18 H19 W20 I22 V49 F86 Y88L10-I16 HydrophobicContact CD1-CD1 3.8Å; I16-G18 PolarHBondContact O-N 3.32Å; I16-G18 VanDerWaalsContact O-N 3.16Å; I16-H19 PolarHBondContact O-N 2.97Å; I16-W20 HydrophobicContact CB-CB 4.19Å; I16-W20 PolarHBondContact N-O 3.17Å; I16-W20 PolarHBondContact O-N 3.16Å; I16-I22 HydrophobicContact CD1-CD1 3.97Å; I16-I22 HydrophobicContact CG1-CD1 4.47Å; I16-V49 HydrophobicContact CD1-CG1 3.78Å; I16-F86 HydrophobicContact CD1-CE2 4.21Å; I16-F86 HydrophobicContact CD1-CZ 4.4Å; I16-F86 HydrophobicContact CG1-CZ 4.31Å; I16-Y88 HydrophobicContact CG2-CD1 4.14Å; I16-Y88 HydrophobicContact CG2-CD2 4.42Å; I16-Y88 HydrophobicContact CG2-CE1 3.86Å; I16-Y88 HydrophobicContact CG2-CE2 4.18Å; I16-Y88 HydrophobicContact CG2-CG 4.41Å
17R93.5Very high94.5Very high179 Ų17960 Ų6068%0.67535%0.353SS*.THydrogen-bonded Turntrans53.430.5178.4-68.3-159.2169.6175.9-13.8114.8H19 Y88R17-H19 PolarHBondContact O-N 3.07Å; R17-H19 VanDerWaalsContact O-N 3.15Å; R17-Y88 WeakPolarHBondContact CD-OH 3.28Å; R17-Y88 PolarHBondContact NE-OH 3.45Å; R17-Y88 PolarHBondContact NH1-OH 2.95Å
18G92.6Very high94.9Very high60 Ų6059.6 Ų59.662%0.61935%0.349SS*.THydrogen-bonded Turntrans63.915.3-175.600000113.8V15 I16V15-G18 VanDerWaalsContact CG1-C 3.42Å; V15-G18 VanDerWaalsContact CG1-CA 3.5Å; I16-G18 PolarHBondContact O-N 3.32Å; I16-G18 VanDerWaalsContact O-N 3.16Å
19H95.7Very high94.5Very high39 Ų3959 Ų5918%0.18136%0.359CS..THydrogen-bonded Turntrans-124-57.5-170.1-159177.9000112V15 I16 R17 D39 C40 Q41V15-H19 VanDerWaalsContact CG1-N 3.35Å; I16-H19 PolarHBondContact O-N 2.97Å; R17-H19 PolarHBondContact O-N 3.07Å; R17-H19 VanDerWaalsContact O-N 3.15Å; H19-D39 IonicContact CD2-OD1 3.88Å; H19-D39 IonicContact NE2-OD1 3.45Å; H19-D39 PolarHBondContact NE2-OD1 2.78Å; H19-C40 WeakPolarHBondContact O-CB 3.21Å; H19-C40 PolarHBondContact O-N 2.82Å; H19-C40 VanDerWaalsContact O-N 3.07Å; H19-C40 PolarHBondContact O-SG 3.34Å; H19-Q41 WeakPolarHBondContact CD2-CG 3.45Å; H19-Q41 VanDerWaalsContact CE1-CD 3.49Å; H19-Q41 PolarHBondContact CE1-OE1 2.86Å; H19-Q41 WeakPolarHBondContact NE2-CB 3.31Å; H19-Q41 WeakPolarHBondContact NE2-CG 3.24Å; H19-Q41 PolarHBondContact NE2-OE1 3.05Å; H19-Q41 VanDerWaalsContact NE2-OE1 3.08Å
20W97.6Very high93.7Very high15 Ų1559.6 Ų59.66%0.05738%0.384CS..EExtended strand (participates in β ladder)trans-99103.9-173-46.6144.1000111.5V15 I16 A37 D39 V49 V90V15-W20 CarbonylContact C-O 3.5Å; V15-W20 WeakPolarHBondContact CA-O 3.28Å; I16-W20 HydrophobicContact CB-CB 4.19Å; I16-W20 PolarHBondContact N-O 3.17Å; I16-W20 PolarHBondContact O-N 3.16Å; W20-A37 HydrophobicContact CB-CB 4.48Å; W20-D39 HydrophobicContact CE3-CB 4.15Å; W20-D39 HydrophobicContact CH2-CB 4.35Å; W20-D39 VanDerWaalsContact CH2-OD2 3.22Å; W20-D39 WeakPolarHBondContact CH2-OD2 3.41Å; W20-D39 HydrophobicContact CZ3-CB 3.58Å; W20-D39 WeakPolarHBondContact CZ3-OD1 3.19Å; W20-D39 VanDerWaalsContact CZ3-OD2 3.25Å; W20-D39 WeakPolarHBondContact CZ3-OD2 3.24Å; W20-V49 HydrophobicContact CB-CG2 4.46Å; W20-V90 HydrophobicContact CD2-CG1 4.48Å; W20-V90 HydrophobicContact CG-CG2 4.17Å; W20-V90 HydrophobicContact CZ2-CG1 4.42Å
21K98.2Very high93.1Very high94 Ų9464.4 Ų64.441%0.40941%0.405SS..EExtended strand (participates in β ladder)trans-86.6115178.6-177.1178.3-178.5-177.80110.4Q14 V15 A23 A37 L38Q14-K21 WeakPolarHBondContact O-CA 3.2Å; V15-K21 HydrophobicContact CG2-CB 4.1Å; V15-K21 HydrophobicContact CG2-CG 4.11Å; K21-A23 PolarHBondContact O-N 2.93Å; K21-A37 CarbonylContact O-C 3.48Å; K21-A37 WeakPolarHBondContact O-CA 3.39Å; K21-A37 WeakPolarHBondContact O-CB 3.46Å; K21-L38 HydrophobicContact CB-CB 4.48Å; K21-L38 PolarHBondContact N-O 2.96Å; K21-L38 PolarHBondContact O-N 3.34Å
22I98.3Very high92.9Very high2 Ų259.7 Ų59.71%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-65.4127.3-179.8-57.1-52.9000110.1L10 G13 Q14 I16 Y35 A37 V49L10-I22 HydrophobicContact CB-CG1 4.19Å; L10-I22 HydrophobicContact CD1-CD1 3.86Å; L10-I22 HydrophobicContact CD1-CG1 4.06Å; G13-I22 PolarHBondContact N-O 3.15Å; Q14-I22 WeakPolarHBondContact O-CG1 3.35Å; Q14-I22 PolarHBondContact O-N 3.08Å; I16-I22 HydrophobicContact CD1-CD1 3.97Å; I16-I22 HydrophobicContact CG1-CD1 4.47Å; I22-Y35 HydrophobicContact CG2-CD1 3.7Å; I22-Y35 HydrophobicContact CG2-CE1 4.37Å; I22-Y35 HydrophobicContact CG2-CG 4.2Å; I22-A37 HydrophobicContact CD1-CB 3.98Å; I22-V49 HydrophobicContact CD1-CB 4.4Å; I22-V49 HydrophobicContact CD1-CG1 4.44Å; I22-V49 HydrophobicContact CD1-CG2 4.42Å
23A97.7Very high92.8Very high39 Ų3956.6 Ų56.632%0.32236%0.36SS..EExtended strand (participates in β ladder)trans-95.2-62.1176.900000110.4P12 K21 E36P12-A23 WeakPolarHBondContact CB-O 3.46Å; K21-A23 PolarHBondContact O-N 2.93Å; A23-E36 HydrophobicContact CB-CB 4.48Å; A23-E36 HydrophobicContact CB-CG 4.31Å; A23-E36 WeakPolarHBondContact CB-O 3.32Å; A23-E36 PolarHBondContact N-O 2.93Å
24C97Very high92.8Very high54 Ų5456.7 Ų56.737%0.36535%0.35SS..EExtended strand (participates in β ladder)trans-155.6161.9179.665.50000111.8Y35 E36C24-Y35 CarbonylContact O-C 3.6Å; C24-Y35 VanDerWaalsContact O-CA 3.29Å; C24-Y35 WeakPolarHBondContact O-CA 3.4Å; C24-E36 PolarHBondContact N-O 3.17Å; C24-E36 PolarHBondContact O-N 3.43Å
25K96.8Very high92.9Very high79 Ų7953 Ų5334%0.34333%0.333SS..EExtended strand (participates in β ladder)trans-78.7127.4171.7-171.1177.8-169.2171.80109.3D8 E33 Y35D8-K25 WeakPolarHBondContact OD1-CD 3.49Å; D8-K25 IonicContact OD1-NZ 3.42Å; D8-K25 PolarHBondContact OD1-NZ 3.36Å; K25-E33 WeakPolarHBondContact CE-OE1 3.31Å; K25-E33 IonicContact NZ-OE1 3.3Å; K25-E33 PolarHBondContact NZ-OE1 3.44Å; K25-Y35 HydrophobicContact CB-CD1 3.89Å; K25-Y35 HydrophobicContact CB-CE1 3.75Å; K25-Y35 HydrophobicContact CD-CE1 4.48Å; K25-Y35 HydrophobicContact CG-CD1 4.32Å; K25-Y35 HydrophobicContact CG-CE1 4.02Å
26I94.4Very high93Very high78 Ų7851.7 Ų51.740%0.432%0.322SS..EExtended strand (participates in β ladder)trans-106-15.3178.364.9179.2000112.6I34 E36 L93I26-I34 HydrophobicContact CD1-CD1 4.28Å; I26-I34 HydrophobicContact CD1-CG1 3.98Å; I26-I34 HydrophobicContact CG1-CB 4.32Å; I26-I34 HydrophobicContact CG1-CG1 3.97Å; I26-I34 HydrophobicContact CG1-CG2 3.88Å; I26-I34 WeakPolarHBondContact CG1-O 3.28Å; I26-I34 PolarHBondContact N-O 3.23Å; I26-E36 HydrophobicContact CG2-CB 3.78Å; I26-L93 HydrophobicContact CD1-CD1 3.67Å
27G91.1Very high93.1Very high26 Ų2651.4 Ų51.427%0.26832%0.321SS..EExtended strand (participates in β ladder)trans-174.6168.3175.800000112.9I34G27-I34 PolarHBondContact N-O 2.81Å; G27-I34 VanDerWaalsContact N-O 3.11Å; G27-I34 WeakPolarHBondContact O-CG2 3.28Å; G27-I34 PolarHBondContact O-N 2.98Å; G27-I34 VanDerWaalsContact O-O 3.14Å
28G86.2Confident93.3Very high56 Ų5645 Ų4558%0.57730%0.3SS*.EExtended strand (participates in β ladder)trans-170159.6175.400000112.3G32G28-G32 WeakPolarHBondContact CA-O 3.47Å
29G80.1Confident93.5Very high56 Ų5642.8 Ų42.858%0.57727%0.274SS*.EExtended strand (participates in β ladder)trans-169.3-169.7179.400000112.1F31 G32G29-F31 PolarHBondContact O-N 2.97Å; G29-G32 PolarHBondContact N-O 3.28Å; G29-G32 PolarHBondContact O-N 3.49Å; G29-G32 VanDerWaalsContact O-N 3.17Å; G29-G32 VanDerWaalsContact O-O 3.08Å
30G75.7Confident93.5Very high85 Ų8543.6 Ų43.688%0.87628%0.283SS*.THydrogen-bonded Turntrans-64.4-9.6-172.800000116.2
31F82.5Confident93.4Very high100 Ų10049.7 Ų49.744%0.43931%0.312SS..THydrogen-bonded Turntrans-109.7-5180-59-68.1000113.8G29 E52 V60 L163G29-F31 PolarHBondContact O-N 2.97Å; F31-E52 WeakPolarHBondContact O-CB 3.37Å; F31-V60 HydrophobicContact CB-CG2 4.18Å; F31-L163 HydrophobicContact CE2-CD2 4.14Å; F31-L163 HydrophobicContact CZ-CD2 4.15Å
32G91.5Very high93.1Very high9 Ų949.2 Ų49.29%0.09331%0.314CS..EExtended strand (participates in β ladder)trans150.6-175.2-175.200000113.5G28 G29 V51G28-G32 WeakPolarHBondContact CA-O 3.47Å; G29-G32 PolarHBondContact N-O 3.28Å; G29-G32 PolarHBondContact O-N 3.49Å; G29-G32 VanDerWaalsContact O-N 3.17Å; G29-G32 VanDerWaalsContact O-O 3.08Å; G32-V51 CarbonylContact C-O 3.52Å; G32-V51 WeakPolarHBondContact CA-O 3.24Å
33E95.4Very high92.9Very high24 Ų2456.5 Ų56.511%0.11235%0.353CS..EExtended strand (participates in β ladder)trans-126.5150.7-176.6-64.8178145.900109.4M9 K25 Y35 K50 V51M9-E33 WeakPolarHBondContact CB-OE2 3.31Å; M9-E33 HydrophobicContact CE-CG 4.14Å; M9-E33 WeakPolarHBondContact CG-OE2 3.32Å; M9-E33 PolarHBondContact N-OE2 2.87Å; K25-E33 WeakPolarHBondContact CE-OE1 3.31Å; K25-E33 IonicContact NZ-OE1 3.3Å; K25-E33 PolarHBondContact NZ-OE1 3.44Å; E33-Y35 HydrophobicContact CB-CD2 4.37Å; E33-Y35 HydrophobicContact CB-CE2 3.55Å; E33-Y35 PolarHBondContact OE2-OH 3.35Å; E33-K50 CarbonylContact O-C 3.39Å; E33-K50 WeakPolarHBondContact O-CA 3.24Å; E33-V51 HydrophobicContact CB-CG2 4.01Å; E33-V51 PolarHBondContact N-O 2.88Å; E33-V51 PolarHBondContact O-N 3.19Å
34I96.4Very high92.7Very high44 Ų4458.9 Ų58.923%0.22636%0.36CS..EExtended strand (participates in β ladder)trans-127.5134177.4-172.8170.2000109.3I26 G27 A48 V49 K50 M91I26-I34 HydrophobicContact CD1-CD1 4.28Å; I26-I34 HydrophobicContact CD1-CG1 3.98Å; I26-I34 HydrophobicContact CG1-CB 4.32Å; I26-I34 HydrophobicContact CG1-CG1 3.97Å; I26-I34 HydrophobicContact CG1-CG2 3.88Å; I26-I34 WeakPolarHBondContact CG1-O 3.28Å; I26-I34 PolarHBondContact N-O 3.23Å; G27-I34 PolarHBondContact N-O 2.81Å; G27-I34 VanDerWaalsContact N-O 3.11Å; G27-I34 WeakPolarHBondContact O-CG2 3.28Å; G27-I34 PolarHBondContact O-N 2.98Å; G27-I34 VanDerWaalsContact O-O 3.14Å; I34-A48 HydrophobicContact CD1-CB 4.36Å; I34-V49 CarbonylContact C-O 3.57Å; I34-V49 WeakPolarHBondContact CA-O 3.29Å; I34-K50 HydrophobicContact CB-CG 4.43Å; I34-K50 HydrophobicContact CG1-CB 4.48Å; I34-M91 HydrophobicContact CD1-CE 3.96Å
35Y97.8Very high92.6Very high1 Ų160.7 Ų60.70%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-124.7149.4-173.9-63.9-93.4000110.2D8 M9 L10 I22 C24 K25 E33 A48 V49 V51D8-Y35 WeakPolarHBondContact CB-OH 3.37Å; M9-Y35 PolarHBondContact N-OH 3.07Å; L10-Y35 HydrophobicContact CB-CE1 4.07Å; L10-Y35 HydrophobicContact CB-CE2 4.03Å; L10-Y35 HydrophobicContact CD1-CD2 4.04Å; L10-Y35 HydrophobicContact CD1-CE2 4.01Å; L10-Y35 HydrophobicContact CG-CE2 4.23Å; L10-Y35 PolarHBondContact N-OH 2.98Å; L10-Y35 VanDerWaalsContact O-CE1 3.31Å; L10-Y35 WeakPolarHBondContact O-CE1 3.43Å; L10-Y35 PolarHBondContact O-OH 3.26Å; I22-Y35 HydrophobicContact CG2-CD1 3.7Å; I22-Y35 HydrophobicContact CG2-CE1 4.37Å; I22-Y35 HydrophobicContact CG2-CG 4.2Å; C24-Y35 CarbonylContact O-C 3.6Å; C24-Y35 VanDerWaalsContact O-CA 3.29Å; C24-Y35 WeakPolarHBondContact O-CA 3.4Å; K25-Y35 HydrophobicContact CB-CD1 3.89Å; K25-Y35 HydrophobicContact CB-CE1 3.75Å; K25-Y35 HydrophobicContact CD-CE1 4.48Å; K25-Y35 HydrophobicContact CG-CD1 4.32Å; K25-Y35 HydrophobicContact CG-CE1 4.02Å; E33-Y35 HydrophobicContact CB-CD2 4.37Å; E33-Y35 HydrophobicContact CB-CE2 3.55Å; E33-Y35 PolarHBondContact OE2-OH 3.35Å; Y35-A48 CarbonylContact O-C 3.59Å; Y35-A48 WeakPolarHBondContact O-CA 3.24Å; Y35-V49 PolarHBondContact N-O 3.39Å; Y35-V49 PolarHBondContact O-N 3.17Å; Y35-V51 HydrophobicContact CD2-CG2 4.13Å; Y35-V51 HydrophobicContact CE2-CG2 3.62Å
36E97.9Very high92.6Very high39 Ų3960.3 Ų60.318%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-81.3137.4156.6-177.8179.1140.500108.7A23 C24 I26 Q46 L93A23-E36 HydrophobicContact CB-CB 4.48Å; A23-E36 HydrophobicContact CB-CG 4.31Å; A23-E36 WeakPolarHBondContact CB-O 3.32Å; A23-E36 PolarHBondContact N-O 2.93Å; C24-E36 PolarHBondContact N-O 3.17Å; C24-E36 PolarHBondContact O-N 3.43Å; I26-E36 HydrophobicContact CG2-CB 3.78Å; E36-Q46 PolarHBondContact OE1-NE2 3.06Å; E36-L93 HydrophobicContact CB-CD2 4.49Å; E36-L93 HydrophobicContact CG-CD2 3.82Å
37A98.4Very high92.7Very high0 Ų056.6 Ų56.60%034%0.344CS..EExtended strand (participates in β ladder)trans-138.3164.2175.300000111.1W20 K21 I22 Q46 V47 V49W20-A37 HydrophobicContact CB-CB 4.48Å; K21-A37 CarbonylContact O-C 3.48Å; K21-A37 WeakPolarHBondContact O-CA 3.39Å; K21-A37 WeakPolarHBondContact O-CB 3.46Å; I22-A37 HydrophobicContact CD1-CB 3.98Å; A37-Q46 CarbonylContact O-C 3.57Å; A37-Q46 WeakPolarHBondContact O-CA 3.44Å; A37-V47 HydrophobicContact CB-CG2 3.96Å; A37-V47 PolarHBondContact N-O 2.84Å; A37-V47 PolarHBondContact O-N 3.16Å; A37-V49 HydrophobicContact CB-CG2 3.51Å
38L98Very high93Very high46 Ų4655.6 Ų55.624%0.24133%0.333CS..EExtended strand (participates in β ladder)trans-103.1133.9173-55.6175.8000109.9K21 C40 N44 E45 Q46K21-L38 HydrophobicContact CB-CB 4.48Å; K21-L38 PolarHBondContact N-O 2.96Å; K21-L38 PolarHBondContact O-N 3.34Å; L38-C40 PolarHBondContact O-N 2.97Å; L38-N44 HydrophobicContact CB-CB 4.28Å; L38-N44 HydrophobicContact CD1-CB 4.48Å; L38-E45 WeakPolarHBondContact CA-O 3.12Å; L38-Q46 HydrophobicContact CD2-CG 3.67Å
39D97.2Very high93.6Very high13 Ų1352.9 Ų52.97%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-76.894.8168.9-176.1-31.5000109.9H19 W20 Q41 N42 N44 E45 V47H19-D39 IonicContact CD2-OD1 3.88Å; H19-D39 IonicContact NE2-OD1 3.45Å; H19-D39 PolarHBondContact NE2-OD1 2.78Å; W20-D39 HydrophobicContact CE3-CB 4.15Å; W20-D39 HydrophobicContact CH2-CB 4.35Å; W20-D39 VanDerWaalsContact CH2-OD2 3.22Å; W20-D39 WeakPolarHBondContact CH2-OD2 3.41Å; W20-D39 HydrophobicContact CZ3-CB 3.58Å; W20-D39 WeakPolarHBondContact CZ3-OD1 3.19Å; W20-D39 VanDerWaalsContact CZ3-OD2 3.25Å; W20-D39 WeakPolarHBondContact CZ3-OD2 3.24Å; D39-Q41 PolarHBondContact O-N 2.87Å; D39-Q41 VanDerWaalsContact O-N 3.15Å; D39-Q41 PolarHBondContact OD1-N 3.12Å; D39-N42 HydrophobicContact CB-CB 4.18Å; D39-N42 CarbonylContact O-C 3.59Å; D39-N42 PolarHBondContact O-N 2.87Å; D39-N42 VanDerWaalsContact OD1-CB 3.32Å; D39-N42 WeakPolarHBondContact OD1-CB 3.4Å; D39-N42 PolarHBondContact OD1-N 3.27Å; D39-N42 WeakPolarHBondContact OD2-CB 3.26Å; D39-N44 WeakPolarHBondContact O-CA 3.32Å; D39-N44 PolarHBondContact O-N 3.16Å; D39-E45 HydrophobicContact CB-CB 4.27Å; D39-E45 WeakPolarHBondContact CB-O 3.32Å; D39-E45 PolarHBondContact N-O 3.11Å; D39-V47 HydrophobicContact CB-CG1 4.19Å
40C95.5Very high94.4Very high55 Ų5551.3 Ų51.337%0.37228%0.283SS..THydrogen-bonded Turntrans-67.3-11.6-177.3-62.50000114.1H19 L38H19-C40 WeakPolarHBondContact O-CB 3.21Å; H19-C40 PolarHBondContact O-N 2.82Å; H19-C40 VanDerWaalsContact O-N 3.07Å; H19-C40 PolarHBondContact O-SG 3.34Å; L38-C40 PolarHBondContact O-N 2.97Å
41Q94.8Very high95.4Very high143 Ų14347.3 Ų47.367%0.66824%0.241SC*.THydrogen-bonded Turntrans-102.7-14.7177.8-60.2174.97.400112.7H19 D39H19-Q41 WeakPolarHBondContact CD2-CG 3.45Å; H19-Q41 VanDerWaalsContact CE1-CD 3.49Å; H19-Q41 PolarHBondContact CE1-OE1 2.86Å; H19-Q41 WeakPolarHBondContact NE2-CB 3.31Å; H19-Q41 WeakPolarHBondContact NE2-CG 3.24Å; H19-Q41 PolarHBondContact NE2-OE1 3.05Å; H19-Q41 VanDerWaalsContact NE2-OE1 3.08Å; D39-Q41 PolarHBondContact O-N 2.87Å; D39-Q41 VanDerWaalsContact O-N 3.15Å; D39-Q41 PolarHBondContact OD1-N 3.12Å
42N92.8Very high96Very high84 Ų8442.6 Ų42.645%0.44922%0.221SC..THydrogen-bonded Turntrans-120.266178.9-167.426.5000110.8D39 N44 E45D39-N42 HydrophobicContact CB-CB 4.18Å; D39-N42 CarbonylContact O-C 3.59Å; D39-N42 PolarHBondContact O-N 2.87Å; D39-N42 VanDerWaalsContact OD1-CB 3.32Å; D39-N42 WeakPolarHBondContact OD1-CB 3.4Å; D39-N42 PolarHBondContact OD1-N 3.27Å; D39-N42 WeakPolarHBondContact OD2-CB 3.26Å; N42-N44 PolarHBondContact O-N 3.15Å; N42-E45 PolarHBondContact ND2-OE2 2.92Å; N42-E45 WeakPolarHBondContact O-CB 3.44Å; N42-E45 PolarHBondContact O-N 2.88Å
43N93.1Very high96.2Very high155 Ų15544.1 Ų44.183%0.82923%0.23SC*.THydrogen-bonded Turntrans52.132.5173.1-162.936000115.1E45N43-E45 PolarHBondContact O-N 2.87Å
44N93.9Very high96.1Very high89 Ų8944.3 Ų44.348%0.47623%0.234SC..THydrogen-bonded Turntrans56.635.1-176.1-59.1-54000113.6L38 D39 N42 Q46L38-N44 HydrophobicContact CB-CB 4.28Å; L38-N44 HydrophobicContact CD1-CB 4.48Å; D39-N44 WeakPolarHBondContact O-CA 3.32Å; D39-N44 PolarHBondContact O-N 3.16Å; N42-N44 PolarHBondContact O-N 3.15Å; N44-Q46 PolarHBondContact O-N 3.44Å
45E95.1Very high95.9Very high93 Ų9350.8 Ų50.844%0.43526%0.26SS..EExtended strand (participates in β ladder)trans-56.6137.4172.2-173.2176.7-174.900110.5L38 D39 N42 N43L38-E45 WeakPolarHBondContact CA-O 3.12Å; D39-E45 HydrophobicContact CB-CB 4.27Å; D39-E45 WeakPolarHBondContact CB-O 3.32Å; D39-E45 PolarHBondContact N-O 3.11Å; N42-E45 PolarHBondContact ND2-OE2 2.92Å; N42-E45 WeakPolarHBondContact O-CB 3.44Å; N42-E45 PolarHBondContact O-N 2.88Å; N43-E45 PolarHBondContact O-N 2.87Å
46Q96.8Very high95.6Very high71 Ų7152.4 Ų52.433%0.33227%0.274SS..EExtended strand (participates in β ladder)trans-79.9123.4179.9-80.4167.6-4200111.1E36 A37 L38 N44 L93 R148E36-Q46 PolarHBondContact OE1-NE2 3.06Å; A37-Q46 CarbonylContact O-C 3.57Å; A37-Q46 WeakPolarHBondContact O-CA 3.44Å; L38-Q46 HydrophobicContact CD2-CG 3.67Å; N44-Q46 PolarHBondContact O-N 3.44Å; Q46-L93 HydrophobicContact CB-CD2 4.17Å; Q46-R148 PolarHBondContact O-NH1 2.95Å
47V97.3Very high95.1Very high0 Ų057.1 Ų57.10%031%0.311CS..EExtended strand (participates in β ladder)trans-123.2159.8-177.7-55.20000111.5A37 D39 V49 F78 V90A37-V47 HydrophobicContact CB-CG2 3.96Å; A37-V47 PolarHBondContact N-O 2.84Å; A37-V47 PolarHBondContact O-N 3.16Å; D39-V47 HydrophobicContact CB-CG1 4.19Å; V47-V49 HydrophobicContact CG2-CG2 4.23Å; V47-F78 HydrophobicContact CB-CD2 4.17Å; V47-F78 HydrophobicContact CB-CE2 4.27Å; V47-F78 HydrophobicContact CG1-CD2 3.69Å; V47-F78 HydrophobicContact CG1-CE2 3.59Å; V47-V90 HydrophobicContact CB-CG1 4.01Å; V47-V90 HydrophobicContact CG2-CG1 3.7Å
48A97.6Very high94.6Very high4 Ų461.2 Ų61.23%0.03333%0.329CS..EExtended strand (participates in β ladder)trans-95.3129.1171.200000110.2I34 Y35 V90 M91 L93I34-A48 HydrophobicContact CD1-CB 4.36Å; Y35-A48 CarbonylContact O-C 3.59Å; Y35-A48 WeakPolarHBondContact O-CA 3.24Å; A48-V90 WeakPolarHBondContact O-CA 3.12Å; A48-M91 HydrophobicContact CB-CE 4.25Å; A48-M91 HydrophobicContact CB-CG 4Å; A48-M91 PolarHBondContact N-O 3.37Å; A48-M91 PolarHBondContact O-N 3.42Å; A48-L93 HydrophobicContact CB-CB 4.39Å; A48-L93 HydrophobicContact CB-CD1 3.83Å
49V97.6Very high94.4Very high0 Ų063.7 Ų63.70%034%0.339CS..EExtended strand (participates in β ladder)trans-116.7111175.8-178.70000109.1I16 W20 I22 I34 Y35 A37 V47 V51 L89 V90I16-V49 HydrophobicContact CD1-CG1 3.78Å; W20-V49 HydrophobicContact CB-CG2 4.46Å; I22-V49 HydrophobicContact CD1-CB 4.4Å; I22-V49 HydrophobicContact CD1-CG1 4.44Å; I22-V49 HydrophobicContact CD1-CG2 4.42Å; I34-V49 CarbonylContact C-O 3.57Å; I34-V49 WeakPolarHBondContact CA-O 3.29Å; Y35-V49 PolarHBondContact N-O 3.39Å; Y35-V49 PolarHBondContact O-N 3.17Å; A37-V49 HydrophobicContact CB-CG2 3.51Å; V47-V49 HydrophobicContact CG2-CG2 4.23Å; V49-V51 HydrophobicContact CG1-CG1 4Å; V49-L89 CarbonylContact C-O 3.56Å; V49-L89 WeakPolarHBondContact CA-O 3.49Å; V49-V90 HydrophobicContact CG1-CG2 4.28Å; V49-V90 HydrophobicContact CG2-CG1 4.21Å; V49-V90 HydrophobicContact CG2-CG2 3.9Å
50K96.5Very high94.2Very high23 Ų2363.4 Ų63.410%0.134%0.338CS..EExtended strand (participates in β ladder)trans-96.2132172.9-162.2176.3-175.6-179.80109.6E33 I34 L61 E64 Y88 L89 D160E33-K50 CarbonylContact O-C 3.39Å; E33-K50 WeakPolarHBondContact O-CA 3.24Å; I34-K50 HydrophobicContact CB-CG 4.43Å; I34-K50 HydrophobicContact CG1-CB 4.48Å; K50-L61 HydrophobicContact CB-CD2 4.17Å; K50-L61 HydrophobicContact CD-CD2 3.73Å; K50-L61 HydrophobicContact CG-CD2 3.88Å; K50-E64 WeakPolarHBondContact CD-OE2 3.22Å; K50-E64 WeakPolarHBondContact CE-OE1 3.28Å; K50-E64 IonicContact NZ-OE1 3.04Å; K50-E64 PolarHBondContact NZ-OE1 3.28Å; K50-E64 IonicContact NZ-OE2 2.84Å; K50-E64 PolarHBondContact NZ-OE2 3.18Å; K50-Y88 CarbonylContact O-C 3.46Å; K50-Y88 VanDerWaalsContact O-CA 3.24Å; K50-Y88 WeakPolarHBondContact O-CA 3.19Å; K50-L89 PolarHBondContact N-O 3.22Å; K50-L89 PolarHBondContact O-N 3.02Å; K50-D160 IonicContact NZ-OD1 3.45Å; K50-D160 PolarHBondContact NZ-OD1 2.97Å
51V96.7Very high94.1Very high1 Ų161.1 Ų61.11%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-128.1147.1178.8-60.50000112.2M9 L10 G32 E33 Y35 V49 F86 N87M9-V51 HydrophobicContact CB-CG2 4.19Å; M9-V51 HydrophobicContact SD-CG2 4.01Å; L10-V51 HydrophobicContact CD1-CG1 3.6Å; L10-V51 HydrophobicContact CD1-CG2 4.21Å; L10-V51 HydrophobicContact CG-CG1 4.49Å; G32-V51 CarbonylContact C-O 3.52Å; G32-V51 WeakPolarHBondContact CA-O 3.24Å; E33-V51 HydrophobicContact CB-CG2 4.01Å; E33-V51 PolarHBondContact N-O 2.88Å; E33-V51 PolarHBondContact O-N 3.19Å; Y35-V51 HydrophobicContact CD2-CG2 4.13Å; Y35-V51 HydrophobicContact CE2-CG2 3.62Å; V49-V51 HydrophobicContact CG1-CG1 4Å; V51-F86 HydrophobicContact CB-CD2 4.33Å; V51-F86 HydrophobicContact CG1-CD2 3.95Å; V51-F86 HydrophobicContact CG1-CE2 4.26Å; V51-N87 VanDerWaalsContact CA-O 3.26Å; V51-N87 WeakPolarHBondContact CA-O 3.03Å
52E95.9Very high94Very high1 Ų163 Ų631%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-133.3148.7169.475-171.2-18000108.8F31 S54 Q59 V60 L61 F86 N87F31-E52 WeakPolarHBondContact O-CB 3.37Å; E52-S54 PolarHBondContact O-N 3.03Å; E52-Q59 VanDerWaalsContact OE1-CB 3.29Å; E52-Q59 WeakPolarHBondContact OE1-CB 3.32Å; E52-V60 PolarHBondContact OE2-N 2.71Å; E52-L61 HydrophobicContact CB-CD1 4.11Å; E52-L61 HydrophobicContact CB-CG 4.24Å; E52-L61 HydrophobicContact CG-CB 4.36Å; E52-L61 HydrophobicContact CG-CD1 3.73Å; E52-L61 HydrophobicContact CG-CG 3.88Å; E52-L61 PolarHBondContact OE1-N 3.28Å; E52-L61 PolarHBondContact OE2-N 2.95Å; E52-F86 CarbonylContact O-C 3.58Å; E52-F86 WeakPolarHBondContact O-CA 3.17Å; E52-F86 VanDerWaalsContact O-CB 3.24Å; E52-F86 WeakPolarHBondContact O-CB 3.46Å; E52-N87 HydrophobicContact CG-CB 3.95Å; E52-N87 PolarHBondContact N-O 3.23Å; E52-N87 PolarHBondContact O-N 3.06Å; E52-N87 PolarHBondContact OE1-ND2 3.24Å
53S94.6Very high94Very high41 Ų4162.4 Ų62.429%0.28732%0.323SS..EExtended strand (participates in β ladder)trans-61.2135176.6174.50000111.2K55 A56S53-K55 PolarHBondContact O-N 2.66Å; S53-K55 VanDerWaalsContact O-N 3.16Å; S53-K55 PolarHBondContact OG-N 3.25Å; S53-A56 VanDerWaalsContact O-CB 3.24Å; S53-A56 WeakPolarHBondContact O-CB 3.39Å; S53-A56 PolarHBondContact O-N 3.02Å
54S93.7Very high94.1Very high28 Ų2855.1 Ų55.120%0.19628%0.284CS..THydrogen-bonded Turntrans-61.8-21.2173.463.40000112E52 Q59 E84 K85E52-S54 PolarHBondContact O-N 3.03Å; S54-Q59 PolarHBondContact O-NE2 2.93Å; S54-E84 VanDerWaalsContact OG-C 3.3Å; S54-E84 PolarHBondContact OG-O 3.31Å; S54-K85 PolarHBondContact N-O 3.36Å; S54-K85 VanDerWaalsContact OG-C 3.25Å; S54-K85 PolarHBondContact OG-O 3.31Å; S54-K85 VanDerWaalsContact OG-O 3.11Å
55K92.8Very high94.1Very high179 Ų17951.7 Ų51.778%0.77827%0.267SS*.THydrogen-bonded Turntrans-97.51.2-179.7-58-177.8-177.1178.80112.5S53 S57S53-K55 PolarHBondContact O-N 2.66Å; S53-K55 VanDerWaalsContact O-N 3.16Å; S53-K55 PolarHBondContact OG-N 3.25Å; K55-S57 PolarHBondContact O-N 3.31Å
56A91.1Very high94Very high35 Ų3549.5 Ų49.529%0.28926%0.264SS..  trans-59.8133.917700000110.3S53 K58 Q59S53-A56 VanDerWaalsContact O-CB 3.24Å; S53-A56 WeakPolarHBondContact O-CB 3.39Å; S53-A56 PolarHBondContact O-N 3.02Å; A56-K58 PolarHBondContact O-N 2.9Å; A56-Q59 HydrophobicContact CB-CG 4.48Å
57S88.6Confident93.9Very high138 Ų13846.1 Ų46.197%0.96525%0.248SC*.SBendtrans-60.3-27178.759.90000112.7K55K55-S57 PolarHBondContact O-N 3.31Å
58K87.7Confident93.7Very high86 Ų8646.5 Ų46.537%0.37425%0.251SS..SBendtrans-132106.9175.2-167.4-174.6178.2-148.80110.2A56 V60A56-K58 PolarHBondContact O-N 2.9Å; K58-V60 HydrophobicContact CD-CG1 4.36Å; K58-V60 HydrophobicContact CG-CG1 4.25Å
59Q92Very high93.4Very high99 Ų9953.1 Ų53.146%0.46327%0.274SS..  trans-90.1123.7174.2-68.6176.63400109.7E52 S54 A56 N87E52-Q59 VanDerWaalsContact OE1-CB 3.29Å; E52-Q59 WeakPolarHBondContact OE1-CB 3.32Å; S54-Q59 PolarHBondContact O-NE2 2.93Å; A56-Q59 HydrophobicContact CB-CG 4.48Å; Q59-N87 PolarHBondContact OE1-ND2 3.23Å
60V93.8Very high93.1Very high7 Ų761.4 Ų61.44%0.04231%0.306CS..  trans-115.5-20.8-175.8-620000113F31 E52 K58 K62 M63 E64 G162F31-V60 HydrophobicContact CB-CG2 4.18Å; E52-V60 PolarHBondContact OE2-N 2.71Å; K58-V60 HydrophobicContact CD-CG1 4.36Å; K58-V60 HydrophobicContact CG-CG1 4.25Å; V60-K62 PolarHBondContact O-N 3.07Å; V60-K62 VanDerWaalsContact O-N 3.12Å; V60-M63 WeakPolarHBondContact O-CA 3.36Å; V60-M63 VanDerWaalsContact O-CB 3.31Å; V60-M63 WeakPolarHBondContact O-CB 3.49Å; V60-M63 PolarHBondContact O-N 2.9Å; V60-E64 PolarHBondContact O-N 2.98Å; V60-G162 WeakPolarHBondContact CB-O 3.38Å; V60-G162 WeakPolarHBondContact CG1-O 3.42Å
61L93.8Very high92.8Very high6 Ų662.5 Ų62.53%0.03131%0.312CS..Hα-helixtrans-57.7-31.8-179.1-76-174.4000113.3K50 E52 M63 E64 V65 N87 L89K50-L61 HydrophobicContact CB-CD2 4.17Å; K50-L61 HydrophobicContact CD-CD2 3.73Å; K50-L61 HydrophobicContact CG-CD2 3.88Å; E52-L61 HydrophobicContact CB-CD1 4.11Å; E52-L61 HydrophobicContact CB-CG 4.24Å; E52-L61 HydrophobicContact CG-CB 4.36Å; E52-L61 HydrophobicContact CG-CD1 3.73Å; E52-L61 HydrophobicContact CG-CG 3.88Å; E52-L61 PolarHBondContact OE1-N 3.28Å; E52-L61 PolarHBondContact OE2-N 2.95Å; L61-M63 VanDerWaalsContact C-N 3.25Å; L61-M63 PolarHBondContact O-N 3.15Å; L61-E64 PolarHBondContact O-N 3.27Å; L61-V65 VanDerWaalsContact O-CG2 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.25Å; L61-V65 PolarHBondContact O-N 2.93Å; L61-N87 HydrophobicContact CD1-CB 4.11Å; L61-N87 WeakPolarHBondContact CD1-O 3.1Å; L61-L89 HydrophobicContact CD2-CB 4.2Å; L61-L89 HydrophobicContact CD2-CD2 4.44Å
62K93Very high91.8Very high182 Ų18271 Ų7179%0.79135%0.352SS*.Hα-helixtrans-58.6-39.1173.9-175.6179.4179-178.50112V60 A66V60-K62 PolarHBondContact O-N 3.07Å; V60-K62 VanDerWaalsContact O-N 3.12Å; K62-A66 PolarHBondContact O-N 3Å
63M92.6Very high91Very high72 Ų7273 Ų7336%0.35537%0.373SS..Hα-helixtrans-70-42.3176-174.959.868.100110.6V60 L61 V65 A66 V67 F134V60-M63 WeakPolarHBondContact O-CA 3.36Å; V60-M63 VanDerWaalsContact O-CB 3.31Å; V60-M63 WeakPolarHBondContact O-CB 3.49Å; V60-M63 PolarHBondContact O-N 2.9Å; L61-M63 VanDerWaalsContact C-N 3.25Å; L61-M63 PolarHBondContact O-N 3.15Å; M63-V65 PolarHBondContact O-N 2.96Å; M63-A66 WeakPolarHBondContact O-CB 3.18Å; M63-A66 PolarHBondContact O-N 3.02Å; M63-V67 WeakPolarHBondContact O-CG2 3.47Å; M63-V67 PolarHBondContact O-N 3.26Å; M63-F134 HydrophobicContact SD-CD1 4.25Å; M63-F134 HydrophobicContact SD-CE1 3.58Å; M63-F134 VanDerWaalsContact SD-CE1 3.58Å
64E94.1Very high90.1Very high2 Ų275 Ų751%0.00938%0.378CS..Hα-helixtrans-59.2-45.9178.1-63.4-171-145.400112.4K50 V60 L61 A66 V67 L68 L89 Y161 G162K50-E64 WeakPolarHBondContact CD-OE2 3.22Å; K50-E64 WeakPolarHBondContact CE-OE1 3.28Å; K50-E64 IonicContact NZ-OE1 3.04Å; K50-E64 PolarHBondContact NZ-OE1 3.28Å; K50-E64 IonicContact NZ-OE2 2.84Å; K50-E64 PolarHBondContact NZ-OE2 3.18Å; V60-E64 PolarHBondContact O-N 2.98Å; L61-E64 PolarHBondContact O-N 3.27Å; E64-A66 VanDerWaalsContact C-N 3.26Å; E64-A66 PolarHBondContact O-N 3.29Å; E64-V67 PolarHBondContact O-N 3.28Å; E64-L68 WeakPolarHBondContact O-CB 3.1Å; E64-L68 PolarHBondContact O-N 2.93Å; E64-L89 HydrophobicContact CB-CD2 4.13Å; E64-Y161 VanDerWaalsContact CG-C 3.46Å; E64-G162 WeakPolarHBondContact OE1-CA 3.06Å; E64-G162 PolarHBondContact OE1-N 3.41Å
65V93.9Very high89.6Confident18 Ų1873.9 Ų73.911%0.10937%0.369CS..Hα-helixtrans-58.6-40.2174.8172.90000110.9L61 M63 R69 F77 C80 L89L61-V65 VanDerWaalsContact O-CG2 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.25Å; L61-V65 PolarHBondContact O-N 2.93Å; M63-V65 PolarHBondContact O-N 2.96Å; V65-R69 HydrophobicContact CG1-CG 4.43Å; V65-R69 WeakPolarHBondContact O-CB 3.44Å; V65-R69 VanDerWaalsContact O-CG 3.28Å; V65-R69 WeakPolarHBondContact O-CG 3.41Å; V65-R69 PolarHBondContact O-N 3.18Å; V65-R69 VanDerWaalsContact O-N 3.07Å; V65-F77 HydrophobicContact CG1-CE2 4.07Å; V65-F77 HydrophobicContact CG2-CE2 4.43Å; V65-C80 HydrophobicContact CG2-CB 3.92Å; V65-L89 HydrophobicContact CG2-CB 4.41Å; V65-L89 HydrophobicContact CG2-CD1 4.01Å
66A93.5Very high89.4Confident46 Ų4667.9 Ų67.938%0.3835%0.348SS..Hα-helixtrans-65.7-41.2179.100000112.2K62 M63 E64 R70K62-A66 PolarHBondContact O-N 3Å; M63-A66 WeakPolarHBondContact O-CB 3.18Å; M63-A66 PolarHBondContact O-N 3.02Å; E64-A66 VanDerWaalsContact C-N 3.26Å; E64-A66 PolarHBondContact O-N 3.29Å; A66-R70 WeakPolarHBondContact O-CB 3.14Å; A66-R70 PolarHBondContact O-N 2.84Å
67V94.2Very high89.4Confident0 Ų068.9 Ų68.90%035%0.346CS..Hα-helixtrans-67.4-50.2177.4178.20000110.9M63 E64 R69 R70 L71 I129 F134 Y161 A164M63-V67 WeakPolarHBondContact O-CG2 3.47Å; M63-V67 PolarHBondContact O-N 3.26Å; E64-V67 PolarHBondContact O-N 3.28Å; V67-R69 VanDerWaalsContact C-N 3.33Å; V67-R69 PolarHBondContact O-N 2.82Å; V67-R70 WeakPolarHBondContact O-CB 3.47Å; V67-R70 PolarHBondContact O-N 2.87Å; V67-L71 HydrophobicContact CG1-CD1 3.97Å; V67-L71 HydrophobicContact CG1-CG 4.47Å; V67-L71 PolarHBondContact O-N 2.83Å; V67-I129 HydrophobicContact CG1-CD1 4.1Å; V67-I129 HydrophobicContact CG1-CG1 4.25Å; V67-F134 HydrophobicContact CG2-CB 4.4Å; V67-F134 HydrophobicContact CG2-CD1 3.6Å; V67-F134 HydrophobicContact CG2-CD2 4.28Å; V67-F134 HydrophobicContact CG2-CE1 3.85Å; V67-F134 HydrophobicContact CG2-CE2 4.49Å; V67-F134 HydrophobicContact CG2-CG 3.84Å; V67-F134 HydrophobicContact CG2-CZ 4.29Å; V67-Y161 HydrophobicContact CB-CD1 4.34Å; V67-Y161 HydrophobicContact CB-CG 4.05Å; V67-Y161 HydrophobicContact CG1-CD1 3.52Å; V67-Y161 HydrophobicContact CG1-CD2 4.25Å; V67-Y161 HydrophobicContact CG1-CE1 3.89Å; V67-Y161 HydrophobicContact CG1-CG 3.7Å; V67-A164 HydrophobicContact CG2-CB 4Å
68L93.1Very high89.6Confident9 Ų965.8 Ų65.85%0.04732%0.315CS..Hα-helixtrans-56-46.2179.4-80.5170.2000112.3E64 R70 L71 Q72 P75 L89 M91 Y161E64-L68 WeakPolarHBondContact O-CB 3.1Å; E64-L68 PolarHBondContact O-N 2.93Å; L68-R70 PolarHBondContact O-N 2.84Å; L68-L71 PolarHBondContact O-N 3.14Å; L68-Q72 PolarHBondContact O-N 2.7Å; L68-P75 HydrophobicContact CD2-CB 4.49Å; L68-L89 HydrophobicContact CD1-CD1 3.87Å; L68-L89 HydrophobicContact CD1-CD2 3.6Å; L68-L89 HydrophobicContact CD1-CG 4.31Å; L68-M91 HydrophobicContact CD1-SD 4.27Å; L68-Y161 HydrophobicContact CD2-CD2 4.08Å; L68-Y161 HydrophobicContact CD2-CE2 3.49Å; L68-Y161 VanDerWaalsContact CD2-CE2 3.49Å; L68-Y161 HydrophobicContact CG-CD2 3.9Å; L68-Y161 HydrophobicContact CG-CE2 3.84Å
69R92Very high89.9Confident142 Ų14262.4 Ų62.454%0.53630%0.304SS..Hα-helixtrans-64.2-24.9177.7-75.2-179.8173.9-165.9-2.7113.5V65 V67 Q72V65-R69 HydrophobicContact CG1-CG 4.43Å; V65-R69 WeakPolarHBondContact O-CB 3.44Å; V65-R69 VanDerWaalsContact O-CG 3.28Å; V65-R69 WeakPolarHBondContact O-CG 3.41Å; V65-R69 PolarHBondContact O-N 3.18Å; V65-R69 VanDerWaalsContact O-N 3.07Å; V67-R69 VanDerWaalsContact C-N 3.33Å; V67-R69 PolarHBondContact O-N 2.82Å; R69-Q72 VanDerWaalsContact O-CG 3.28Å; R69-Q72 WeakPolarHBondContact O-CG 3.2Å
70R91.7Very high90Very high174 Ų17459.8 Ų59.866%0.65730%0.297SS*.Hα-helixtrans-84.6-34.5-179.7-15671.81751380.6112.2A66 V67 L68 Q72 V132A66-R70 WeakPolarHBondContact O-CB 3.14Å; A66-R70 PolarHBondContact O-N 2.84Å; V67-R70 WeakPolarHBondContact O-CB 3.47Å; V67-R70 PolarHBondContact O-N 2.87Å; L68-R70 PolarHBondContact O-N 2.84Å; R70-Q72 VanDerWaalsContact C-N 3.35Å; R70-V132 HydrophobicContact CB-CB 4.33Å; R70-V132 HydrophobicContact CG-CB 3.68Å; R70-V132 HydrophobicContact CG-CG1 4.01Å; R70-V132 HydrophobicContact CG-CG2 4.37Å
71L89.7Confident90.1Very high46 Ų4660.3 Ų60.324%0.24130%0.303CS..Hα-helixtrans-71.5-26.7177-75.5171.9000113.2V67 L68 G73 D128 V132 Y161V67-L71 HydrophobicContact CG1-CD1 3.97Å; V67-L71 HydrophobicContact CG1-CG 4.47Å; V67-L71 PolarHBondContact O-N 2.83Å; L68-L71 PolarHBondContact O-N 3.14Å; L71-G73 PolarHBondContact O-N 2.91Å; L71-D128 HydrophobicContact CD2-CB 4.27Å; L71-V132 HydrophobicContact CD2-CG1 4.33Å; L71-V132 HydrophobicContact CD2-CG2 3.8Å; L71-V132 HydrophobicContact CG-CG2 4.2Å; L71-Y161 HydrophobicContact CD1-CE1 3.96Å; L71-Y161 WeakPolarHBondContact CD1-OH 3.35Å
72Q76.2Confident90.2Very high180 Ų18069.8 Ų69.884%0.84134%0.339SS*.  trans47.831.2178.2-63.9-148.9-21.600115.6L68 R69 R70L68-Q72 PolarHBondContact O-N 2.7Å; R69-Q72 VanDerWaalsContact O-CG 3.28Å; R69-Q72 WeakPolarHBondContact O-CG 3.2Å; R70-Q72 VanDerWaalsContact C-N 3.35Å
73G78.5Confident90.2Very high42 Ų4264.3 Ų64.343%0.43332%0.318SS..SBendtrans-135.5-150.517800000111.7L71 P75L71-G73 PolarHBondContact O-N 2.91Å; G73-P75 CarbonylContact O-C 3.58Å
74E75.3Confident90.1Very high85 Ų8569.4 Ų69.440%0.39734%0.341SS..SBendtrans-83.2140.5176.6-68.3-72.5170.100111.4V76 S92 Q94 F157E74-V76 VanDerWaalsContact CD-CG2 3.41Å; E74-V76 WeakPolarHBondContact OE1-CG2 3.22Å; E74-V76 WeakPolarHBondContact OE2-CG2 3.36Å; E74-V76 PolarHBondContact OE2-N 2.96Å; E74-S92 PolarHBondContact OE2-OG 2.89Å; E74-Q94 PolarHBondContact OE2-NE2 3.32Å; E74-F157 HydrophobicContact CB-CD1 3.22Å; E74-F157 HydrophobicContact CB-CE1 3.11Å; E74-F157 HydrophobicContact CB-CG 4.31Å; E74-F157 HydrophobicContact CB-CZ 4.11Å; E74-F157 HydrophobicContact CG-CD1 4.1Å; E74-F157 HydrophobicContact CG-CE1 3.45Å; E74-F157 VanDerWaalsContact CG-CE1 3.45Å; E74-F157 HydrophobicContact CG-CZ 4.08Å
75P84Confident90.1Very high3 Ų377.1 Ų77.12%0.01938%0.375CS..SBendcis-65.7132.7-1.5-21.734.1000113.5L68 G73 F77 M91 S92 M158 L159L68-P75 HydrophobicContact CD2-CB 4.49Å; G73-P75 CarbonylContact O-C 3.58Å; P75-F77 PolarHBondContact O-N 2.88Å; P75-M91 HydrophobicContact CB-CB 4.37Å; P75-M91 HydrophobicContact CB-SD 4.41Å; P75-S92 WeakPolarHBondContact CA-OG 3.13Å; P75-S92 VanDerWaalsContact CB-OG 3.24Å; P75-S92 WeakPolarHBondContact CB-OG 3.43Å; P75-M158 WeakPolarHBondContact CD-O 3.45Å; P75-L159 HydrophobicContact CG-CD2 3.8Å
76V88.9Confident90.2Very high53 Ų5376.9 Ų76.932%0.32137%0.372SS..PPolyproline II helixtrans-61.3128178.7-171.90000110.5E74 F78 M91 S92E74-V76 VanDerWaalsContact CD-CG2 3.41Å; E74-V76 WeakPolarHBondContact OE1-CG2 3.22Å; E74-V76 WeakPolarHBondContact OE2-CG2 3.36Å; E74-V76 PolarHBondContact OE2-N 2.96Å; V76-F78 HydrophobicContact CB-CD1 4.34Å; V76-F78 HydrophobicContact CB-CE1 3.77Å; V76-F78 HydrophobicContact CB-CZ 4.17Å; V76-F78 HydrophobicContact CG1-CD1 3.83Å; V76-F78 HydrophobicContact CG1-CE1 3.49Å; V76-F78 VanDerWaalsContact CG1-CE1 3.49Å; V76-F78 HydrophobicContact CG1-CZ 4.37Å; V76-M91 CarbonylContact O-C 3.54Å; V76-M91 WeakPolarHBondContact O-CA 3.35Å; V76-M91 VanDerWaalsContact O-CB 3.28Å; V76-M91 WeakPolarHBondContact O-CB 3.12Å; V76-S92 PolarHBondContact N-OG 3.5Å; V76-S92 PolarHBondContact O-N 3.47Å
77F91.9Very high90.3Very high57 Ų5775.8 Ų75.825%0.2536%0.36CS..EExtended strand (participates in β ladder)trans-77.3118.6171.1171.5-93.5000110.4V65 P75 G79 C80 L89V65-F77 HydrophobicContact CG1-CE2 4.07Å; V65-F77 HydrophobicContact CG2-CE2 4.43Å; P75-F77 PolarHBondContact O-N 2.88Å; F77-G79 WeakPolarHBondContact CE2-O 3.41Å; F77-G79 VanDerWaalsContact CZ-C 3.48Å; F77-C80 HydrophobicContact CE2-CB 3.99Å; F77-C80 HydrophobicContact CZ-CB 4.17Å; F77-L89 HydrophobicContact CD2-CD1 3.63Å; F77-L89 HydrophobicContact CE2-CD1 3.77Å
78F92.2Very high90.4Very high72 Ų7276.3 Ų76.332%0.31636%0.362SS..EExtended strand (participates in β ladder)trans-99.9-33.6176.2-62.5-37.1000112.9V47 V76 V90V47-F78 HydrophobicContact CB-CD2 4.17Å; V47-F78 HydrophobicContact CB-CE2 4.27Å; V47-F78 HydrophobicContact CG1-CD2 3.69Å; V47-F78 HydrophobicContact CG1-CE2 3.59Å; V76-F78 HydrophobicContact CB-CD1 4.34Å; V76-F78 HydrophobicContact CB-CE1 3.77Å; V76-F78 HydrophobicContact CB-CZ 4.17Å; V76-F78 HydrophobicContact CG1-CD1 3.83Å; V76-F78 HydrophobicContact CG1-CE1 3.49Å; V76-F78 VanDerWaalsContact CG1-CE1 3.49Å; V76-F78 HydrophobicContact CG1-CZ 4.37Å; F78-V90 HydrophobicContact CB-CB 4.4Å; F78-V90 HydrophobicContact CB-CG1 4.09Å; F78-V90 HydrophobicContact CD2-CG1 4.27Å; F78-V90 PolarHBondContact N-O 2.8Å
79G92.6Very high90.6Very high15 Ų1575.9 Ų75.916%0.15536%0.36CS..EExtended strand (participates in β ladder)trans177.3171178.800000114.2F77 V90F77-G79 WeakPolarHBondContact CE2-O 3.41Å; F77-G79 VanDerWaalsContact CZ-C 3.48Å; G79-V90 PolarHBondContact N-O 3.45Å; G79-V90 VanDerWaalsContact N-O 3.16Å; G79-V90 PolarHBondContact O-N 3.11Å
80C95.8Very high90.8Very high45 Ų4569.1 Ų69.130%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-151.9161171.963.40000110.4V65 F77 Y88V65-C80 HydrophobicContact CG2-CB 3.92Å; F77-C80 HydrophobicContact CE2-CB 3.99Å; F77-C80 HydrophobicContact CZ-CB 4.17Å; C80-Y88 CarbonylContact C-O 3.56Å; C80-Y88 WeakPolarHBondContact CA-O 3.4Å; C80-Y88 WeakPolarHBondContact CB-O 3.22Å
81G95.5Very high91Very high17 Ų1761.7 Ų61.718%0.17531%0.307CS..EExtended strand (participates in β ladder)trans-166.9178.1172.300000113N87 Y88G81-N87 WeakPolarHBondContact O-CA 3.48Å; G81-Y88 VanDerWaalsContact C-CE1 3.49Å; G81-Y88 PolarHBondContact N-O 2.96Å; G81-Y88 WeakPolarHBondContact O-CD1 3.21Å; G81-Y88 PolarHBondContact O-N 3.32Å
82R95.1Very high91.2Very high205 Ų20560.2 Ų60.277%0.77430%0.301SS*.EExtended strand (participates in β ladder)trans-137.4146.1179.160.4-178.5179.8173.50.9109.4N87R82-N87 VanDerWaalsContact CB-OD1 3.29Å; R82-N87 WeakPolarHBondContact CB-OD1 3.46Å
83N92.5Very high92.2Very high68 Ų6852.6 Ų52.636%0.36427%0.266SS..  trans-140.7-176.7166.564.647.4000109K85 F86N83-K85 PolarHBondContact O-N 3.17Å; N83-K85 WeakPolarHBondContact OD1-CA 3.47Å; N83-K85 WeakPolarHBondContact OD1-CB 3.36Å; N83-K85 PolarHBondContact OD1-N 2.69Å; N83-F86 PolarHBondContact N-O 2.71Å; N83-F86 WeakPolarHBondContact ND2-CE1 3.34Å; N83-F86 WeakPolarHBondContact ND2-CE2 3.4Å; N83-F86 WeakPolarHBondContact ND2-CZ 3.38Å; N83-F86 PolarHBondContact OD1-N 2.76Å; N83-F86 PolarHBondContact OD1-O 3.17Å
84E92.1Very high93Very high178 Ų17851.9 Ų51.983%0.83225%0.251SS*.SBendtrans-65.4-19.4-177.4-64.1-178.7176.800114S54S54-E84 VanDerWaalsContact OG-C 3.3Å; S54-E84 PolarHBondContact OG-O 3.31Å
85K93.1Very high94Very high165 Ų16549.4 Ų49.472%0.71725%0.248SC*.SBendtrans-100.5-41.3-177.1-63.2-178.7174-179.20113S54 N83S54-K85 PolarHBondContact N-O 3.36Å; S54-K85 VanDerWaalsContact OG-C 3.25Å; S54-K85 PolarHBondContact OG-O 3.31Å; S54-K85 VanDerWaalsContact OG-O 3.11Å; N83-K85 PolarHBondContact O-N 3.17Å; N83-K85 WeakPolarHBondContact OD1-CA 3.47Å; N83-K85 WeakPolarHBondContact OD1-CB 3.36Å; N83-K85 PolarHBondContact OD1-N 2.69Å
86F95.6Very high94.5Very high12 Ų1253.7 Ų53.75%0.05326%0.264CS..EExtended strand (participates in β ladder)trans-152.5155.7-173.161.3-93000113.3L10 I16 V51 E52 N83 Y88L10-F86 HydrophobicContact CD2-CD1 4.32Å; L10-F86 HydrophobicContact CD2-CE1 3.66Å; L10-F86 HydrophobicContact CD2-CE2 4.39Å; L10-F86 HydrophobicContact CD2-CZ 3.7Å; I16-F86 HydrophobicContact CD1-CE2 4.21Å; I16-F86 HydrophobicContact CD1-CZ 4.4Å; I16-F86 HydrophobicContact CG1-CZ 4.31Å; V51-F86 HydrophobicContact CB-CD2 4.33Å; V51-F86 HydrophobicContact CG1-CD2 3.95Å; V51-F86 HydrophobicContact CG1-CE2 4.26Å; E52-F86 CarbonylContact O-C 3.58Å; E52-F86 WeakPolarHBondContact O-CA 3.17Å; E52-F86 VanDerWaalsContact O-CB 3.24Å; E52-F86 WeakPolarHBondContact O-CB 3.46Å; N83-F86 PolarHBondContact N-O 2.71Å; N83-F86 WeakPolarHBondContact ND2-CE1 3.34Å; N83-F86 WeakPolarHBondContact ND2-CE2 3.4Å; N83-F86 WeakPolarHBondContact ND2-CZ 3.38Å; N83-F86 PolarHBondContact OD1-N 2.76Å; N83-F86 PolarHBondContact OD1-O 3.17Å; F86-Y88 HydrophobicContact CD2-CD1 4.19Å; F86-Y88 AromaticContact CE2-CD1 3.79Å; F86-Y88 HydrophobicContact CE2-CD1 3.79Å; F86-Y88 HydrophobicContact CE2-CG 4.26Å
87N96.5Very high95Very high24 Ų2452.8 Ų52.813%0.12826%0.257CS..EExtended strand (participates in β ladder)trans-95.1149.4160.1-54.4-42.1000108.6V51 E52 Q59 L61 G81 R82V51-N87 VanDerWaalsContact CA-O 3.26Å; V51-N87 WeakPolarHBondContact CA-O 3.03Å; E52-N87 HydrophobicContact CG-CB 3.95Å; E52-N87 PolarHBondContact N-O 3.23Å; E52-N87 PolarHBondContact O-N 3.06Å; E52-N87 PolarHBondContact OE1-ND2 3.24Å; Q59-N87 PolarHBondContact OE1-ND2 3.23Å; L61-N87 HydrophobicContact CD1-CB 4.11Å; L61-N87 WeakPolarHBondContact CD1-O 3.1Å; G81-N87 WeakPolarHBondContact O-CA 3.48Å; R82-N87 VanDerWaalsContact CB-OD1 3.29Å; R82-N87 WeakPolarHBondContact CB-OD1 3.46Å
88Y97Very high95.3Very high11 Ų1150.1 Ų50.14%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-138.3149.8176.870.5-87.8000112.8I16 R17 K50 C80 G81 F86 V90I16-Y88 HydrophobicContact CG2-CD1 4.14Å; I16-Y88 HydrophobicContact CG2-CD2 4.42Å; I16-Y88 HydrophobicContact CG2-CE1 3.86Å; I16-Y88 HydrophobicContact CG2-CE2 4.18Å; I16-Y88 HydrophobicContact CG2-CG 4.41Å; R17-Y88 WeakPolarHBondContact CD-OH 3.28Å; R17-Y88 PolarHBondContact NE-OH 3.45Å; R17-Y88 PolarHBondContact NH1-OH 2.95Å; K50-Y88 CarbonylContact O-C 3.46Å; K50-Y88 VanDerWaalsContact O-CA 3.24Å; K50-Y88 WeakPolarHBondContact O-CA 3.19Å; C80-Y88 CarbonylContact C-O 3.56Å; C80-Y88 WeakPolarHBondContact CA-O 3.4Å; C80-Y88 WeakPolarHBondContact CB-O 3.22Å; G81-Y88 VanDerWaalsContact C-CE1 3.49Å; G81-Y88 PolarHBondContact N-O 2.96Å; G81-Y88 WeakPolarHBondContact O-CD1 3.21Å; G81-Y88 PolarHBondContact O-N 3.32Å; F86-Y88 HydrophobicContact CD2-CD1 4.19Å; F86-Y88 AromaticContact CE2-CD1 3.79Å; F86-Y88 HydrophobicContact CE2-CD1 3.79Å; F86-Y88 HydrophobicContact CE2-CG 4.26Å; Y88-V90 HydrophobicContact CD2-CG2 3.78Å; Y88-V90 HydrophobicContact CE2-CG2 4.11Å
89L96.2Very high95.6Very high0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-126.6134.2171.8161.365.3000107.6V49 K50 L61 E64 V65 L68 F77 M91V49-L89 CarbonylContact C-O 3.56Å; V49-L89 WeakPolarHBondContact CA-O 3.49Å; K50-L89 PolarHBondContact N-O 3.22Å; K50-L89 PolarHBondContact O-N 3.02Å; L61-L89 HydrophobicContact CD2-CB 4.2Å; L61-L89 HydrophobicContact CD2-CD2 4.44Å; E64-L89 HydrophobicContact CB-CD2 4.13Å; V65-L89 HydrophobicContact CG2-CB 4.41Å; V65-L89 HydrophobicContact CG2-CD1 4.01Å; L68-L89 HydrophobicContact CD1-CD1 3.87Å; L68-L89 HydrophobicContact CD1-CD2 3.6Å; L68-L89 HydrophobicContact CD1-CG 4.31Å; F77-L89 HydrophobicContact CD2-CD1 3.63Å; F77-L89 HydrophobicContact CE2-CD1 3.77Å; L89-M91 HydrophobicContact CD2-SD 4.2Å
90V96.4Very high95.8Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-119.3129.9176.1-173.40000109.3W20 V47 A48 V49 F78 G79 Y88W20-V90 HydrophobicContact CD2-CG1 4.48Å; W20-V90 HydrophobicContact CG-CG2 4.17Å; W20-V90 HydrophobicContact CZ2-CG1 4.42Å; V47-V90 HydrophobicContact CB-CG1 4.01Å; V47-V90 HydrophobicContact CG2-CG1 3.7Å; A48-V90 WeakPolarHBondContact O-CA 3.12Å; V49-V90 HydrophobicContact CG1-CG2 4.28Å; V49-V90 HydrophobicContact CG2-CG1 4.21Å; V49-V90 HydrophobicContact CG2-CG2 3.9Å; F78-V90 HydrophobicContact CB-CB 4.4Å; F78-V90 HydrophobicContact CB-CG1 4.09Å; F78-V90 HydrophobicContact CD2-CG1 4.27Å; F78-V90 PolarHBondContact N-O 2.8Å; G79-V90 PolarHBondContact N-O 3.45Å; G79-V90 VanDerWaalsContact N-O 3.16Å; G79-V90 PolarHBondContact O-N 3.11Å; Y88-V90 HydrophobicContact CD2-CG2 3.78Å; Y88-V90 HydrophobicContact CE2-CG2 4.11Å
91M95.9Very high95.9Very high17 Ų1747 Ų478%0.08423%0.227CC..EExtended strand (participates in β ladder)trans-146.2167-175.861.4-167.4166.800111.6I34 A48 L68 P75 V76 L89 L93I34-M91 HydrophobicContact CD1-CE 3.96Å; A48-M91 HydrophobicContact CB-CE 4.25Å; A48-M91 HydrophobicContact CB-CG 4Å; A48-M91 PolarHBondContact N-O 3.37Å; A48-M91 PolarHBondContact O-N 3.42Å; L68-M91 HydrophobicContact CD1-SD 4.27Å; P75-M91 HydrophobicContact CB-CB 4.37Å; P75-M91 HydrophobicContact CB-SD 4.41Å; V76-M91 CarbonylContact O-C 3.54Å; V76-M91 WeakPolarHBondContact O-CA 3.35Å; V76-M91 VanDerWaalsContact O-CB 3.28Å; V76-M91 WeakPolarHBondContact O-CB 3.12Å; L89-M91 HydrophobicContact CD2-SD 4.2Å; M91-L93 PolarHBondContact O-N 2.83Å
92S94.4Very high96Very high15 Ų1546.4 Ų46.411%0.10522%0.219CC..EExtended strand (participates in β ladder)trans-51.1128.5172.560.50000110.9E74 P75 V76 Q94E74-S92 PolarHBondContact OE2-OG 2.89Å; P75-S92 WeakPolarHBondContact CA-OG 3.13Å; P75-S92 VanDerWaalsContact CB-OG 3.24Å; P75-S92 WeakPolarHBondContact CB-OG 3.43Å; V76-S92 PolarHBondContact N-OG 3.5Å; V76-S92 PolarHBondContact O-N 3.47Å; S92-Q94 PolarHBondContact OG-NE2 3.43Å
93L96.1Very high96.1Very high21 Ų2142.5 Ų42.511%0.1120%0.204CC..PPolyproline II helixtrans-73.4131.9171.1-174.562.7000109.3I26 E36 Q46 A48 M91 R148I26-L93 HydrophobicContact CD1-CD1 3.67Å; E36-L93 HydrophobicContact CB-CD2 4.49Å; E36-L93 HydrophobicContact CG-CD2 3.82Å; Q46-L93 HydrophobicContact CB-CD2 4.17Å; A48-L93 HydrophobicContact CB-CB 4.39Å; A48-L93 HydrophobicContact CB-CD1 3.83Å; M91-L93 PolarHBondContact O-N 2.83Å; L93-R148 WeakPolarHBondContact O-CD 3.47Å
94Q95.7Very high96.3Very high27 Ų2744 Ų4413%0.12621%0.209CC..PPolyproline II helixtrans-102171.6177.2-59.5-58.2-21.300111.3E74 S92 A145 F157 L159E74-Q94 PolarHBondContact OE2-NE2 3.32Å; S92-Q94 PolarHBondContact OG-NE2 3.43Å; Q94-A145 HydrophobicContact CB-CB 3.99Å; Q94-F157 HydrophobicContact CG-CB 4.23Å; Q94-F157 HydrophobicContact CG-CD2 4.26Å; Q94-F157 HydrophobicContact CG-CG 4.42Å; Q94-F157 VanDerWaalsContact OE1-CE2 3.27Å; Q94-L159 HydrophobicContact CB-CD2 4.38Å; Q94-L159 HydrophobicContact CG-CD2 3.94Å
95G95.9Very high96.5Very high32 Ų3236.2 Ų36.233%0.3317%0.174SC..  trans-81.9-145.9-179.800000113.2I146G95-I146 WeakPolarHBondContact CA-O 3.4Å; G95-I146 PolarHBondContact N-O 3.12Å
96R96.3Very high96.5Very high93 Ų9335.1 Ų35.135%0.35118%0.184SC..  trans-73.6139.8-175.3-65.1170.157.8-146.4-11.3111L101 E104 A145 I146R96-L101 HydrophobicContact CB-CD1 4.31Å; R96-L101 HydrophobicContact CB-CD2 4.18Å; R96-L101 HydrophobicContact CB-CG 4.04Å; R96-L101 VanDerWaalsContact NH2-CD2 3.32Å; R96-E104 IonicContact CZ-OE1 2.68Å; R96-E104 IonicContact CZ-OE2 2.85Å; R96-E104 VanDerWaalsContact CZ-OE2 3.3Å; R96-E104 IonicContact NE-OE1 3.64Å; R96-E104 IonicContact NH1-OE2 3.22Å; R96-E104 IonicContact NH2-OE1 2.71Å; R96-E104 PolarHBondContact NH2-OE1 3.23Å; R96-E104 IonicContact NH2-OE2 3.7Å; R96-E104 PolarHBondContact NH2-OE2 2.91Å; R96-A145 WeakPolarHBondContact O-CA 3.31Å; R96-I146 PolarHBondContact O-N 2.94Å
97N97.6Very high96.4Very high35 Ų3544.2 Ų44.219%0.18722%0.218CC..BIsolated β-bridgetrans-78.6156.5176.870.270.9000112.4A99 D100 L101 F144 A145N97-A99 PolarHBondContact O-N 3.31Å; N97-A99 WeakPolarHBondContact OD1-CA 3.36Å; N97-A99 WeakPolarHBondContact OD1-CB 3.16Å; N97-A99 PolarHBondContact OD1-N 3.36Å; N97-D100 PolarHBondContact ND2-OD2 3.29Å; N97-D100 PolarHBondContact O-N 2.8Å; N97-D100 PolarHBondContact OD1-N 2.86Å; N97-D100 PolarHBondContact OD1-OD2 2.98Å; N97-L101 WeakPolarHBondContact O-CG 3.38Å; N97-L101 PolarHBondContact O-N 2.96Å; N97-F144 CarbonylContact C-O 3.55Å; N97-F144 WeakPolarHBondContact CA-O 3.21Å; N97-F144 VanDerWaalsContact CB-O 3.3Å; N97-F144 WeakPolarHBondContact CB-O 3.37Å; N97-A145 HydrophobicContact CB-CB 4.46Å
98L98.6Very high96.4Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-65-23.8-176.4-55.9-174.2000112.8L101 R102 L118 V122 P141 F144 I146 V156 F229L98-L101 HydrophobicContact CD2-CD1 3.97Å; L98-R102 WeakPolarHBondContact O-CB 3.4Å; L98-R102 PolarHBondContact O-N 3.22Å; L98-L118 HydrophobicContact CD1-CD1 4.38Å; L98-L118 HydrophobicContact CD1-CD2 4.25Å; L98-L118 HydrophobicContact CD2-CD1 4.05Å; L98-L118 HydrophobicContact CD2-CD2 3.73Å; L98-V122 HydrophobicContact CD1-CG2 4.22Å; L98-P141 HydrophobicContact CB-CB 4.12Å; L98-P141 WeakPolarHBondContact CB-O 3.24Å; L98-P141 PolarHBondContact N-O 3.09Å; L98-P141 VanDerWaalsContact N-O 3.15Å; L98-F144 HydrophobicContact CD1-CB 3.61Å; L98-F144 HydrophobicContact CD1-CG 4.4Å; L98-F144 HydrophobicContact CG-CB 3.78Å; L98-F144 PolarHBondContact N-O 3.31Å; L98-I146 HydrophobicContact CD2-CG2 4.33Å; L98-V156 HydrophobicContact CD1-CG1 4.26Å; L98-F229 HydrophobicContact CB-CZ 4.12Å; L98-F229 HydrophobicContact CD1-CE2 4.26Å; L98-F229 HydrophobicContact CD1-CZ 3.95Å
99A98Very high96.4Very high8 Ų847.4 Ų47.47%0.06623%0.234CC..Hα-helixtrans-69.7-42.9176.800000111.8N97 R103 P141N97-A99 PolarHBondContact O-N 3.31Å; N97-A99 WeakPolarHBondContact OD1-CA 3.36Å; N97-A99 WeakPolarHBondContact OD1-CB 3.16Å; N97-A99 PolarHBondContact OD1-N 3.36Å; A99-R103 WeakPolarHBondContact O-CG 3.49Å; A99-R103 PolarHBondContact O-N 3.11Å; A99-R103 VanDerWaalsContact O-N 3.14Å; A99-R103 PolarHBondContact O-NH1 3.45Å; A99-P141 HydrophobicContact CB-CB 3.82Å; A99-P141 PolarHBondContact N-O 3.35Å
100D97.3Very high96.5Very high57 Ų5747.7 Ų47.731%0.30524%0.235SC..Hα-helixtrans-68.3-48.2175.4-74.1-41000111.1N97 R102 R103 E104N97-D100 PolarHBondContact ND2-OD2 3.29Å; N97-D100 PolarHBondContact O-N 2.8Å; N97-D100 PolarHBondContact OD1-N 2.86Å; N97-D100 PolarHBondContact OD1-OD2 2.98Å; D100-R102 VanDerWaalsContact C-N 3.25Å; D100-R102 PolarHBondContact O-N 3.12Å; D100-R103 PolarHBondContact O-N 3.13Å; D100-R103 IonicContact OD1-CZ 3.58Å; D100-R103 IonicContact OD1-NE 3.62Å; D100-R103 IonicContact OD1-NH2 2.69Å; D100-R103 PolarHBondContact OD1-NH2 3.2Å; D100-E104 PolarHBondContact O-N 3.32Å; D100-E104 VanDerWaalsContact O-N 3.07Å
101L98.2Very high96.6Very high2 Ų249.9 Ų49.91%0.0125%0.251CS..Hα-helixtrans-53.3-44.4176.9-72162.7000111.6R96 N97 L98 F110 I146 W307R96-L101 HydrophobicContact CB-CD1 4.31Å; R96-L101 HydrophobicContact CB-CD2 4.18Å; R96-L101 HydrophobicContact CB-CG 4.04Å; R96-L101 VanDerWaalsContact NH2-CD2 3.32Å; N97-L101 WeakPolarHBondContact O-CG 3.38Å; N97-L101 PolarHBondContact O-N 2.96Å; L98-L101 HydrophobicContact CD2-CD1 3.97Å; L101-F110 HydrophobicContact CB-CE1 4.25Å; L101-F110 HydrophobicContact CB-CZ 3.96Å; L101-I146 HydrophobicContact CD1-CD1 4.06Å; L101-I146 HydrophobicContact CD1-CG1 4.12Å; L101-I146 HydrophobicContact CD1-CG2 3.91Å; L101-I146 HydrophobicContact CD2-CD1 4.29Å; L101-W307 HydrophobicContact CB-CE3 4.01Å; L101-W307 HydrophobicContact CB-CZ3 4.3Å; L101-W307 HydrophobicContact CD1-CD2 4.38Å; L101-W307 HydrophobicContact CD1-CE3 4.27Å; L101-W307 HydrophobicContact CD1-CH2 4.37Å; L101-W307 HydrophobicContact CD1-CZ2 4.45Å; L101-W307 HydrophobicContact CD1-CZ3 4.26Å; L101-W307 HydrophobicContact CD2-CB 3.89Å; L101-W307 HydrophobicContact CD2-CD2 3.62Å; L101-W307 HydrophobicContact CD2-CE3 3.84Å; L101-W307 HydrophobicContact CD2-CG 3.64Å; L101-W307 HydrophobicContact CG-CD2 4.44Å; L101-W307 HydrophobicContact CG-CE3 4.27Å
102R98.2Very high96.7Very high5 Ų552.4 Ų52.42%0.01926%0.264CS..Hα-helixtrans-66.2-45176.9-172177.463.586.3-10.8112.1L98 D100 E104 T105 Q108 F110 E228 G232L98-R102 WeakPolarHBondContact O-CB 3.4Å; L98-R102 PolarHBondContact O-N 3.22Å; D100-R102 VanDerWaalsContact C-N 3.25Å; D100-R102 PolarHBondContact O-N 3.12Å; R102-E104 PolarHBondContact O-N 2.85Å; R102-T105 WeakPolarHBondContact O-CB 3.42Å; R102-T105 PolarHBondContact O-N 2.87Å; R102-T105 VanDerWaalsContact O-N 3.08Å; R102-T105 PolarHBondContact O-OG1 2.8Å; R102-Q108 VanDerWaalsContact CG-O 3.31Å; R102-Q108 WeakPolarHBondContact CG-O 3.3Å; R102-Q108 PolarHBondContact NH1-O 2.84Å; R102-Q108 WeakPolarHBondContact O-CA 3.39Å; R102-F110 VanDerWaalsContact CA-CZ 3.43Å; R102-F110 HydrophobicContact CB-CD2 4.35Å; R102-F110 HydrophobicContact CB-CE1 4.02Å; R102-F110 HydrophobicContact CB-CE2 3.68Å; R102-F110 HydrophobicContact CB-CZ 3.5Å; R102-F110 HydrophobicContact CG-CD2 4.3Å; R102-F110 HydrophobicContact CG-CE2 4.12Å; R102-F110 HydrophobicContact CG-CZ 4.25Å; R102-F110 VanDerWaalsContact N-CZ 3.3Å; R102-E228 IonicContact CZ-OE2 3.12Å; R102-E228 IonicContact NE-OE2 2.86Å; R102-E228 IonicContact NH2-OE1 2.81Å; R102-E228 PolarHBondContact NH2-OE1 3.39Å; R102-E228 IonicContact NH2-OE2 3.22Å; R102-E228 PolarHBondContact NH2-OE2 3.04Å; R102-G232 PolarHBondContact NH1-O 3.01Å
103R97.1Very high96.9Very high122 Ų12252.6 Ų52.646%0.4627%0.265SS..Hα-helixtrans-61.1-29-178.3-83.2-170.7-66.9-89.217.2113A99 D100 T105A99-R103 WeakPolarHBondContact O-CG 3.49Å; A99-R103 PolarHBondContact O-N 3.11Å; A99-R103 VanDerWaalsContact O-N 3.14Å; A99-R103 PolarHBondContact O-NH1 3.45Å; D100-R103 PolarHBondContact O-N 3.13Å; D100-R103 IonicContact OD1-CZ 3.58Å; D100-R103 IonicContact OD1-NE 3.62Å; D100-R103 IonicContact OD1-NH2 2.69Å; D100-R103 PolarHBondContact OD1-NH2 3.2Å; R103-T105 VanDerWaalsContact C-N 3.32Å
104E96Very high97Very high99 Ų9951.6 Ų51.646%0.46326%0.26SS..THydrogen-bonded Turntrans-80-12.5178.3-72.9176.7-138.500114R96 D100 R102R96-E104 IonicContact CZ-OE1 2.68Å; R96-E104 IonicContact CZ-OE2 2.85Å; R96-E104 VanDerWaalsContact CZ-OE2 3.3Å; R96-E104 IonicContact NE-OE1 3.64Å; R96-E104 IonicContact NH1-OE2 3.22Å; R96-E104 IonicContact NH2-OE1 2.71Å; R96-E104 PolarHBondContact NH2-OE1 3.23Å; R96-E104 IonicContact NH2-OE2 3.7Å; R96-E104 PolarHBondContact NH2-OE2 2.91Å; D100-E104 PolarHBondContact O-N 3.32Å; D100-E104 VanDerWaalsContact O-N 3.07Å; R102-E104 PolarHBondContact O-N 2.85Å
105T96.4Very high97.1Very high15 Ų1550.3 Ų50.39%0.09225%0.254CS..SBendtrans-69145.1171.465.90000110.3R102 R103 R107 Q108 C109 F110 D306R102-T105 WeakPolarHBondContact O-CB 3.42Å; R102-T105 PolarHBondContact O-N 2.87Å; R102-T105 VanDerWaalsContact O-N 3.08Å; R102-T105 PolarHBondContact O-OG1 2.8Å; R103-T105 VanDerWaalsContact C-N 3.32Å; T105-R107 VanDerWaalsContact C-N 3.25Å; T105-R107 PolarHBondContact O-N 2.83Å; T105-R107 VanDerWaalsContact O-N 3.12Å; T105-Q108 PolarHBondContact O-N 2.74Å; T105-Q108 WeakPolarHBondContact OG1-CA 3.26Å; T105-Q108 PolarHBondContact OG1-N 3.42Å; T105-C109 WeakPolarHBondContact CB-O 3.33Å; T105-C109 PolarHBondContact OG1-N 3.18Å; T105-C109 PolarHBondContact OG1-O 2.75Å; T105-F110 HydrophobicContact CG2-CD1 3.83Å; T105-F110 HydrophobicContact CG2-CE1 3.97Å; T105-D306 HydrophobicContact CG2-CB 4.34Å
106P93.3Very high97.3Very high142 Ų14248.9 Ų48.992%0.92224%0.239SC*.THydrogen-bonded Turntrans-55.8-35.7-174.4-28.635.1000114.8
107R94.2Very high97.4Very high204 Ų20445 Ų4577%0.7722%0.224SC*.THydrogen-bonded Turntrans-100.26.1179.2-66-169.2-62.5-113.4-1.2113.6T105 C109T105-R107 VanDerWaalsContact C-N 3.25Å; T105-R107 PolarHBondContact O-N 2.83Å; T105-R107 VanDerWaalsContact O-N 3.12Å; R107-C109 PolarHBondContact O-N 3.38Å
108Q96.3Very high97.4Very high82 Ų8243.3 Ų43.338%0.38322%0.215SC..SBendtrans53.329.4-171.2-54.9-171.1-4.600113.1R102 T105 G232R102-Q108 VanDerWaalsContact CG-O 3.31Å; R102-Q108 WeakPolarHBondContact CG-O 3.3Å; R102-Q108 PolarHBondContact NH1-O 2.84Å; R102-Q108 WeakPolarHBondContact O-CA 3.39Å; T105-Q108 PolarHBondContact O-N 2.74Å; T105-Q108 WeakPolarHBondContact OG1-CA 3.26Å; T105-Q108 PolarHBondContact OG1-N 3.42Å; Q108-G232 WeakPolarHBondContact O-CA 3.49Å
109C97.4Very high97.5Very high20 Ų2043.3 Ų43.314%0.13522%0.215CC..SBendtrans-134.6149.517366.30000108.6T105 R107 F229T105-C109 WeakPolarHBondContact CB-O 3.33Å; T105-C109 PolarHBondContact OG1-N 3.18Å; T105-C109 PolarHBondContact OG1-O 2.75Å; R107-C109 PolarHBondContact O-N 3.38Å; C109-F229 CarbonylContact C-O 3.57Å; C109-F229 WeakPolarHBondContact CA-O 3.32Å; C109-F229 WeakPolarHBondContact CB-O 3.2Å
110F98.5Very high97.5Very high5 Ų544 Ų442%0.02222%0.218CC..  trans-81.6153.5170.6-66.6-51.1000110.5L101 R102 T105 T114 L118 F229 D306 W307L101-F110 HydrophobicContact CB-CE1 4.25Å; L101-F110 HydrophobicContact CB-CZ 3.96Å; R102-F110 VanDerWaalsContact CA-CZ 3.43Å; R102-F110 HydrophobicContact CB-CD2 4.35Å; R102-F110 HydrophobicContact CB-CE1 4.02Å; R102-F110 HydrophobicContact CB-CE2 3.68Å; R102-F110 HydrophobicContact CB-CZ 3.5Å; R102-F110 HydrophobicContact CG-CD2 4.3Å; R102-F110 HydrophobicContact CG-CE2 4.12Å; R102-F110 HydrophobicContact CG-CZ 4.25Å; R102-F110 VanDerWaalsContact N-CZ 3.3Å; T105-F110 HydrophobicContact CG2-CD1 3.83Å; T105-F110 HydrophobicContact CG2-CE1 3.97Å; F110-T114 HydrophobicContact CB-CG2 3.74Å; F110-T114 HydrophobicContact CD1-CG2 3.5Å; F110-T114 HydrophobicContact CD2-CG2 4.14Å; F110-T114 HydrophobicContact CE1-CG2 4.08Å; F110-T114 HydrophobicContact CG-CG2 3.54Å; F110-L118 HydrophobicContact CD2-CD1 3.92Å; F110-L118 HydrophobicContact CE2-CD1 3.62Å; F110-L118 HydrophobicContact CZ-CD1 4.07Å; F110-F229 HydrophobicContact CD2-CB 3.96Å; F110-F229 HydrophobicContact CD2-CD1 4Å; F110-F229 HydrophobicContact CD2-CD2 4.21Å; F110-F229 AromaticContact CD2-CG 3.8Å; F110-F229 HydrophobicContact CD2-CG 3.8Å; F110-F229 HydrophobicContact CE2-CD1 4.02Å; F110-F229 HydrophobicContact CE2-CD2 4.48Å; F110-F229 HydrophobicContact CE2-CE1 4.1Å; F110-F229 HydrophobicContact CE2-CG 4.2Å; F110-F229 HydrophobicContact CE2-CZ 4.39Å; F110-F229 PolarHBondContact N-O 3.33Å; F110-D306 WeakPolarHBondContact CA-OD2 3.46Å; F110-D306 HydrophobicContact CD1-CB 4.47Å; F110-D306 WeakPolarHBondContact CD1-OD2 3.44Å; F110-W307 HydrophobicContact CD1-CZ3 4.38Å; F110-W307 AromaticContact CE1-CE3 3.95Å; F110-W307 HydrophobicContact CE1-CE3 3.95Å; F110-W307 AromaticContact CE1-CZ3 3.72Å; F110-W307 HydrophobicContact CE1-CZ3 3.72Å; F110-W307 HydrophobicContact CZ-CE3 4.5Å; F110-W307 AromaticContact CZ-CZ3 3.97Å; F110-W307 HydrophobicContact CZ-CZ3 3.97Å
111S97.8Very high97.5Very high46 Ų4643.8 Ų43.832%0.32222%0.215SC..  trans-57.5159162.570.20000110.5S113 T114 G115 D306S111-S113 PolarHBondContact O-N 3.25Å; S111-T114 PolarHBondContact O-N 3.14Å; S111-T114 PolarHBondContact OG-N 3.41Å; S111-T114 VanDerWaalsContact OG-N 3.14Å; S111-T114 PolarHBondContact OG-OG1 2.82Å; S111-G115 PolarHBondContact O-N 3.38Å; S111-D306 VanDerWaalsContact CB-OD1 3.3Å; S111-D306 WeakPolarHBondContact CB-OD1 3.17Å; S111-D306 PolarHBondContact N-OD2 3.48Å; S111-D306 PolarHBondContact OG-OD1 2.93Å
112I97.7Very high97.6Very high70 Ų7043.7 Ų43.736%0.35921%0.214SC..Hα-helixtrans-56.1-41.4173.9-66.3176.3000110.2V116 L230 I293 C297I112-V116 WeakPolarHBondContact O-CB 3.09Å; I112-V116 WeakPolarHBondContact O-CG1 3.29Å; I112-V116 PolarHBondContact O-N 3.29Å; I112-L230 HydrophobicContact CG1-CD2 4.41Å; I112-I293 HydrophobicContact CG2-CG2 3.92Å; I112-C297 HydrophobicContact CG2-CB 4.21Å
113S98.4Very high97.6Very high19 Ų1943.7 Ų43.713%0.13322%0.215CC..Hα-helixtrans-56.4-54.5177.7175.90000111.7S111 R117 V299 D303S111-S113 PolarHBondContact O-N 3.25Å; S113-R117 WeakPolarHBondContact O-CB 3.34Å; S113-R117 WeakPolarHBondContact O-CG 3.5Å; S113-R117 PolarHBondContact O-N 3.42Å; S113-R117 PolarHBondContact O-NE 3.38Å; S113-R117 PolarHBondContact OG-NE 2.89Å; S113-R117 PolarHBondContact OG-NH2 3.2Å; S113-V299 WeakPolarHBondContact OG-CG1 3.3Å; S113-D303 PolarHBondContact OG-OD2 3.01Å
114T98.7Very high97.6Very high0 Ų042.6 Ų42.60%021%0.213CC..Hα-helixtrans-65.8-49.3-179.9-70.40000111.6F110 S111 V116 R117 L118 Y305 D306 W307F110-T114 HydrophobicContact CB-CG2 3.74Å; F110-T114 HydrophobicContact CD1-CG2 3.5Å; F110-T114 HydrophobicContact CD2-CG2 4.14Å; F110-T114 HydrophobicContact CE1-CG2 4.08Å; F110-T114 HydrophobicContact CG-CG2 3.54Å; S111-T114 PolarHBondContact O-N 3.14Å; S111-T114 PolarHBondContact OG-N 3.41Å; S111-T114 VanDerWaalsContact OG-N 3.14Å; S111-T114 PolarHBondContact OG-OG1 2.82Å; T114-V116 PolarHBondContact O-N 3.39Å; T114-R117 PolarHBondContact O-N 3.39Å; T114-L118 HydrophobicContact CG2-CD1 3.76Å; T114-L118 HydrophobicContact CG2-CG 4.3Å; T114-L118 WeakPolarHBondContact O-CB 3.46Å; T114-L118 VanDerWaalsContact O-CG 3.3Å; T114-L118 WeakPolarHBondContact O-CG 2.95Å; T114-L118 PolarHBondContact O-N 3.37Å; T114-Y305 HydrophobicContact CG2-CD1 3.84Å; T114-Y305 WeakPolarHBondContact OG1-CA 3.43Å; T114-D306 WeakPolarHBondContact CB-OD1 3.48Å; T114-D306 PolarHBondContact OG1-N 2.8Å; T114-D306 PolarHBondContact OG1-OD1 2.85Å; T114-W307 HydrophobicContact CG2-CE3 4.42Å; T114-W307 HydrophobicContact CG2-CH2 4.06Å; T114-W307 HydrophobicContact CG2-CZ3 3.58Å
115G98.5Very high97.7Very high0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-60.6-43.7-174.300000113.2S111 A119S111-G115 PolarHBondContact O-N 3.38Å; G115-A119 WeakPolarHBondContact O-CB 3.49Å; G115-A119 PolarHBondContact O-N 2.83Å
116V98.6Very high97.8Very high3 Ų338 Ų382%0.01819%0.194CC..Hα-helixtrans-74.8-36.6-17877.50000112.7I112 T114 A119 L120 L290 I293 I294I112-V116 WeakPolarHBondContact O-CB 3.09Å; I112-V116 WeakPolarHBondContact O-CG1 3.29Å; I112-V116 PolarHBondContact O-N 3.29Å; T114-V116 PolarHBondContact O-N 3.39Å; V116-A119 WeakPolarHBondContact O-CB 3.39Å; V116-A119 PolarHBondContact O-N 2.81Å; V116-L120 PolarHBondContact O-N 2.77Å; V116-L290 HydrophobicContact CG2-CB 3.96Å; V116-L290 HydrophobicContact CG2-CD2 4.07Å; V116-L290 WeakPolarHBondContact CG2-O 3.36Å; V116-I293 HydrophobicContact CG2-CB 4.07Å; V116-I293 HydrophobicContact CG2-CD1 4.36Å; V116-I293 HydrophobicContact CG2-CG2 4.15Å; V116-I294 HydrophobicContact CB-CG1 4.43Å; V116-I294 HydrophobicContact CG1-CD1 4.02Å; V116-I294 HydrophobicContact CG1-CG1 3.42Å; V116-I294 VanDerWaalsContact CG1-CG1 3.42Å; V116-I294 HydrophobicContact CG2-CG1 4.1Å
117R98.7Very high98.1Very high10 Ų1034.3 Ų34.34%0.03817%0.165CC..Hα-helixtrans-68.7-40.4177-73-177.5-66.5132.6-5.4111.4S113 T114 A119 L120 Q121 I294 V299 G300 D303 P304 Y305S113-R117 WeakPolarHBondContact O-CB 3.34Å; S113-R117 WeakPolarHBondContact O-CG 3.5Å; S113-R117 PolarHBondContact O-N 3.42Å; S113-R117 PolarHBondContact O-NE 3.38Å; S113-R117 PolarHBondContact OG-NE 2.89Å; S113-R117 PolarHBondContact OG-NH2 3.2Å; T114-R117 PolarHBondContact O-N 3.39Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-L120 PolarHBondContact O-N 3.45Å; R117-Q121 PolarHBondContact O-N 3.23Å; R117-I294 HydrophobicContact CG-CD1 4.24Å; R117-V299 HydrophobicContact CG-CG1 4.21Å; R117-G300 WeakPolarHBondContact CD-O 3.25Å; R117-D303 VanDerWaalsContact CZ-O 3.27Å; R117-D303 PolarHBondContact NH1-O 2.75Å; R117-D303 PolarHBondContact NH2-O 2.79Å; R117-D303 VanDerWaalsContact NH2-O 3.17Å; R117-P304 PolarHBondContact NH2-O 2.7Å; R117-Y305 HydrophobicContact CB-CE1 4.08Å; R117-Y305 VanDerWaalsContact NH1-CE1 3.32Å
118L98.8Very high98.2Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-59.7-45.5170.1-74.7178.3000111.5L98 F110 T114 L120 Q121 V122 V156 F229 Y305 W307L98-L118 HydrophobicContact CD1-CD1 4.38Å; L98-L118 HydrophobicContact CD1-CD2 4.25Å; L98-L118 HydrophobicContact CD2-CD1 4.05Å; L98-L118 HydrophobicContact CD2-CD2 3.73Å; F110-L118 HydrophobicContact CD2-CD1 3.92Å; F110-L118 HydrophobicContact CE2-CD1 3.62Å; F110-L118 HydrophobicContact CZ-CD1 4.07Å; T114-L118 HydrophobicContact CG2-CD1 3.76Å; T114-L118 HydrophobicContact CG2-CG 4.3Å; T114-L118 WeakPolarHBondContact O-CB 3.46Å; T114-L118 VanDerWaalsContact O-CG 3.3Å; T114-L118 WeakPolarHBondContact O-CG 2.95Å; T114-L118 PolarHBondContact O-N 3.37Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 2.75Å; L118-Q121 PolarHBondContact O-N 2.69Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 2.88Å; L118-V156 HydrophobicContact CD2-CG2 3.37Å; L118-F229 HydrophobicContact CB-CE2 4.36Å; L118-F229 HydrophobicContact CD1-CE2 4.48Å; L118-Y305 HydrophobicContact CD2-CE1 4.32Å; L118-Y305 HydrophobicContact CG-CE1 4.23Å; L118-W307 HydrophobicContact CD1-CH2 3.93Å; L118-W307 HydrophobicContact CD1-CZ3 4.04Å; L118-W307 HydrophobicContact CD2-CH2 3.96Å; L118-W307 HydrophobicContact CG-CH2 4.22Å
119A98.8Very high98.2Very high0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-59.5-38.9179.300000112.9G115 V116 R117 V122 L123 L222 I226 L290G115-A119 WeakPolarHBondContact O-CB 3.49Å; G115-A119 PolarHBondContact O-N 2.83Å; V116-A119 WeakPolarHBondContact O-CB 3.39Å; V116-A119 PolarHBondContact O-N 2.81Å; R117-A119 VanDerWaalsContact C-N 3.34Å; A119-V122 PolarHBondContact O-N 2.91Å; A119-L123 WeakPolarHBondContact O-CB 3.05Å; A119-L123 PolarHBondContact O-N 3.48Å; A119-L222 HydrophobicContact CB-CD1 4.46Å; A119-I226 HydrophobicContact CB-CD1 3.89Å; A119-I226 HydrophobicContact CB-CG1 3.62Å; A119-L290 HydrophobicContact CB-CD1 3.89Å; A119-L290 HydrophobicContact CB-CD2 4.22Å
120L98.6Very high98.3Very high24 Ų2422.9 Ų22.913%0.12612%0.12CC..Hα-helixtrans-62.2-45.7174.8-84.3172.7000112.3V116 R117 L118 L123 K124 L290 R291 I294V116-L120 PolarHBondContact O-N 2.77Å; R117-L120 PolarHBondContact O-N 3.45Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 2.75Å; L120-L123 PolarHBondContact O-N 3.21Å; L120-K124 PolarHBondContact O-N 3.17Å; L120-L290 HydrophobicContact CD2-CB 3.71Å; L120-L290 HydrophobicContact CD2-CD1 3.91Å; L120-L290 HydrophobicContact CD2-CG 4.44Å; L120-L290 HydrophobicContact CG-CB 3.83Å; L120-L290 HydrophobicContact CG-CD1 4Å; L120-R291 HydrophobicContact CD1-CG 4.36Å; L120-R291 HydrophobicContact CD2-CG 4.29Å; L120-I294 HydrophobicContact CD1-CD1 3.33Å
121Q98.5Very high98.1Very high51 Ų5126.9 Ų26.924%0.23815%0.148CC..Hα-helixtrans-66-40.5178.2-64.5-166.255.200111.7R117 L118 K124 A125 R154 V156 Y305R117-Q121 PolarHBondContact O-N 3.23Å; L118-Q121 PolarHBondContact O-N 2.69Å; Q121-K124 PolarHBondContact O-N 2.99Å; Q121-A125 PolarHBondContact O-N 2.68Å; Q121-R154 PolarHBondContact NE2-O 3.46Å; Q121-V156 HydrophobicContact CB-CB 3.9Å; Q121-V156 HydrophobicContact CB-CG2 3.97Å; Q121-V156 HydrophobicContact CG-CG2 4.43Å; Q121-Y305 PolarHBondContact NE2-OH 3.37Å
122V98.8Very high98Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-64.2-42.5175.6174.10000111.3L98 L118 A119 K124 A125 I126 F144 V156 L222 M225L98-V122 HydrophobicContact CD1-CG2 4.22Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 2.88Å; A119-V122 PolarHBondContact O-N 2.91Å; V122-K124 VanDerWaalsContact C-N 3.29Å; V122-K124 PolarHBondContact O-N 2.9Å; V122-A125 PolarHBondContact O-N 3.41Å; V122-I126 HydrophobicContact CG1-CD1 3.91Å; V122-I126 HydrophobicContact CG1-CG1 4.42Å; V122-I126 WeakPolarHBondContact O-CG1 3.38Å; V122-I126 PolarHBondContact O-N 2.97Å; V122-F144 HydrophobicContact CB-CE1 4.27Å; V122-F144 HydrophobicContact CB-CZ 4.44Å; V122-F144 HydrophobicContact CG1-CD1 4.39Å; V122-F144 HydrophobicContact CG1-CD2 4.47Å; V122-F144 HydrophobicContact CG1-CE1 3.75Å; V122-F144 HydrophobicContact CG1-CE2 3.87Å; V122-F144 HydrophobicContact CG1-CZ 3.46Å; V122-F144 VanDerWaalsContact CG1-CZ 3.46Å; V122-F144 HydrophobicContact CG2-CD1 3.85Å; V122-F144 HydrophobicContact CG2-CD2 4.35Å; V122-F144 HydrophobicContact CG2-CE1 4.01Å; V122-F144 HydrophobicContact CG2-CG 4.02Å; V122-F144 HydrophobicContact CG2-CZ 4.36Å; V122-V156 HydrophobicContact CG2-CG1 4.16Å; V122-L222 HydrophobicContact CB-CD1 4.03Å; V122-L222 HydrophobicContact CG1-CD1 3.68Å; V122-L222 HydrophobicContact CG1-CD2 4.5Å; V122-M225 HydrophobicContact CG1-CE 4.26Å; V122-M225 HydrophobicContact CG2-CE 4.34Å
123L98.8Very high97.9Very high5 Ų523 Ų233%0.02613%0.127CC..Hα-helixtrans-58.4-44175.4178.460.7000111A119 L120 I126 E127 L219 L222 Y283 L286 L290A119-L123 WeakPolarHBondContact O-CB 3.05Å; A119-L123 PolarHBondContact O-N 3.48Å; L120-L123 PolarHBondContact O-N 3.21Å; L123-I126 PolarHBondContact O-N 3.04Å; L123-E127 PolarHBondContact O-N 2.85Å; L123-L219 HydrophobicContact CD1-CD2 3.51Å; L123-L222 HydrophobicContact CB-CD2 3.78Å; L123-L222 HydrophobicContact CD1-CD2 3.98Å; L123-L222 HydrophobicContact CG-CD2 4.45Å; L123-Y283 HydrophobicContact CD1-CD1 4.34Å; L123-L286 HydrophobicContact CD1-CB 4.36Å; L123-L286 HydrophobicContact CD1-CD1 4.36Å; L123-L286 HydrophobicContact CD2-CB 3.87Å; L123-L290 HydrophobicContact CD2-CD1 4.19Å
124K98.1Very high97.9Very high99 Ų9922.8 Ų22.843%0.4312%0.123SC..Hα-helixtrans-61.8-45.8177.4-177.852-178.4151.90111.8L120 Q121 V122 I126 E127 D128L120-K124 PolarHBondContact O-N 3.17Å; Q121-K124 PolarHBondContact O-N 2.99Å; V122-K124 VanDerWaalsContact C-N 3.29Å; V122-K124 PolarHBondContact O-N 2.9Å; K124-I126 VanDerWaalsContact C-N 3.28Å; K124-I126 PolarHBondContact O-N 2.81Å; K124-E127 WeakPolarHBondContact CD-OE2 3.5Å; K124-E127 IonicContact NZ-OE2 2.7Å; K124-E127 PolarHBondContact NZ-OE2 3.17Å; K124-E127 WeakPolarHBondContact O-CB 3.47Å; K124-E127 PolarHBondContact O-N 3.25Å; K124-E127 VanDerWaalsContact O-N 3.13Å; K124-D128 WeakPolarHBondContact CE-OD1 3.24Å; K124-D128 IonicContact NZ-OD1 2.82Å; K124-D128 PolarHBondContact NZ-OD1 2.8Å; K124-D128 PolarHBondContact O-N 3.38Å
125A97.7Very high97.8Very high19 Ų1922.9 Ų22.916%0.15712%0.123CC..Hα-helixtrans-62.4-3517700000112.7Q121 V122 D128 I129 F144 M158Q121-A125 PolarHBondContact O-N 2.68Å; V122-A125 PolarHBondContact O-N 3.41Å; A125-D128 PolarHBondContact O-N 3.39Å; A125-I129 PolarHBondContact O-N 3.25Å; A125-I129 VanDerWaalsContact O-N 3.13Å; A125-F144 HydrophobicContact CB-CE1 4.34Å; A125-M158 VanDerWaalsContact C-CE 3.46Å; A125-M158 HydrophobicContact CB-CB 4.18Å; A125-M158 HydrophobicContact CB-CE 3.75Å; A125-M158 WeakPolarHBondContact O-CE 3.38Å
126I98.6Very high97.7Very high0 Ų022.9 Ų22.90%012%0.123CC..Hα-helixtrans-67.3-42.2173.6-69.7169.6000111.2V122 L123 K124 D128 I129 H130 I139 M158 D218 L219 L222V122-I126 HydrophobicContact CG1-CD1 3.91Å; V122-I126 HydrophobicContact CG1-CG1 4.42Å; V122-I126 WeakPolarHBondContact O-CG1 3.38Å; V122-I126 PolarHBondContact O-N 2.97Å; L123-I126 PolarHBondContact O-N 3.04Å; K124-I126 VanDerWaalsContact C-N 3.28Å; K124-I126 PolarHBondContact O-N 2.81Å; I126-D128 VanDerWaalsContact C-N 3.31Å; I126-D128 PolarHBondContact O-N 2.99Å; I126-I129 VanDerWaalsContact O-CG2 3.26Å; I126-I129 WeakPolarHBondContact O-CG2 3.44Å; I126-H130 WeakPolarHBondContact CG2-CE1 3.31Å; I126-H130 WeakPolarHBondContact CG2-ND1 3.17Å; I126-H130 WeakPolarHBondContact O-CB 3.46Å; I126-H130 PolarHBondContact O-N 3.03Å; I126-H130 VanDerWaalsContact O-N 3.11Å; I126-H130 PolarHBondContact O-ND1 3.32Å; I126-I139 HydrophobicContact CD1-CD1 4.01Å; I126-I139 HydrophobicContact CD1-CG1 4.22Å; I126-I139 HydrophobicContact CD1-CG2 4.03Å; I126-I139 HydrophobicContact CG1-CD1 3.72Å; I126-I139 HydrophobicContact CG1-CG1 4.36Å; I126-M158 HydrophobicContact CG1-CE 3.85Å; I126-D218 HydrophobicContact CG2-CB 4.17Å; I126-L219 HydrophobicContact CG2-CD2 3.82Å; I126-L219 HydrophobicContact CG2-CG 4.34Å; I126-L222 HydrophobicContact CD1-CB 3.88Å; I126-L222 HydrophobicContact CD1-CD2 4.07Å
127E98.2Very high97.6Very high64 Ų6423.8 Ų23.830%0.29913%0.127SC..Hα-helixtrans-60-43.5173.4-176.1-174.9-143.100111.1L123 K124 H130 S131 Y283L123-E127 PolarHBondContact O-N 2.85Å; K124-E127 WeakPolarHBondContact CD-OE2 3.5Å; K124-E127 IonicContact NZ-OE2 2.7Å; K124-E127 PolarHBondContact NZ-OE2 3.17Å; K124-E127 WeakPolarHBondContact O-CB 3.47Å; K124-E127 PolarHBondContact O-N 3.25Å; K124-E127 VanDerWaalsContact O-N 3.13Å; E127-H130 PolarHBondContact O-N 3.31Å; E127-S131 WeakPolarHBondContact O-CB 3.45Å; E127-S131 PolarHBondContact O-N 2.76Å; E127-Y283 HydrophobicContact CB-CD1 3.78Å; E127-Y283 HydrophobicContact CB-CE1 4.12Å; E127-Y283 HydrophobicContact CB-CG 4.12Å; E127-Y283 HydrophobicContact CG-CD1 3.99Å; E127-Y283 HydrophobicContact CG-CD2 4.05Å; E127-Y283 HydrophobicContact CG-CE1 4.38Å; E127-Y283 HydrophobicContact CG-CE2 4.44Å; E127-Y283 HydrophobicContact CG-CG 3.82Å
128D96.9Very high97.5Very high58 Ų5823.8 Ų23.831%0.3113%0.128SC..Hα-helixtrans-63.4-46.7-178.1-66.1-22.8000112L71 K124 A125 I126 H130 S131 V132L71-D128 HydrophobicContact CD2-CB 4.27Å; K124-D128 WeakPolarHBondContact CE-OD1 3.24Å; K124-D128 IonicContact NZ-OD1 2.82Å; K124-D128 PolarHBondContact NZ-OD1 2.8Å; K124-D128 PolarHBondContact O-N 3.38Å; A125-D128 PolarHBondContact O-N 3.39Å; I126-D128 VanDerWaalsContact C-N 3.31Å; I126-D128 PolarHBondContact O-N 2.99Å; D128-H130 VanDerWaalsContact C-N 3.32Å; D128-H130 PolarHBondContact O-N 2.91Å; D128-S131 WeakPolarHBondContact O-CB 3.49Å; D128-S131 PolarHBondContact O-N 2.71Å; D128-S131 PolarHBondContact O-OG 3.42Å; D128-V132 PolarHBondContact O-N 2.86Å
129I97.2Very high97.5Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-64.3-36.7175.4-167.1177.9000112.3V67 A125 I126 V132 F134 H136 M158 Y161V67-I129 HydrophobicContact CG1-CD1 4.1Å; V67-I129 HydrophobicContact CG1-CG1 4.25Å; A125-I129 PolarHBondContact O-N 3.25Å; A125-I129 VanDerWaalsContact O-N 3.13Å; I126-I129 VanDerWaalsContact O-CG2 3.26Å; I126-I129 WeakPolarHBondContact O-CG2 3.44Å; I129-V132 WeakPolarHBondContact O-CG2 3.11Å; I129-V132 PolarHBondContact O-N 3.28Å; I129-F134 CarbonylContact C-O 3.59Å; I129-F134 HydrophobicContact CD1-CB 4.24Å; I129-F134 HydrophobicContact CG1-CB 3.81Å; I129-F134 PolarHBondContact O-N 3.44Å; I129-H136 HydrophobicContact CD1-CB 4.02Å; I129-M158 HydrophobicContact CB-SD 4.39Å; I129-M158 HydrophobicContact CD1-SD 4.26Å; I129-M158 HydrophobicContact CG2-CE 4.21Å; I129-M158 HydrophobicContact CG2-SD 4.21Å; I129-Y161 HydrophobicContact CD1-CD1 3.76Å; I129-Y161 HydrophobicContact CD1-CE1 3.88Å
130H97.7Very high97.5Very high7 Ų725.5 Ų25.53%0.03214%0.135CC..Hα-helixtrans-66-38.1175.2-69.9152.1000112.2I126 E127 D128 V132 G133 F134 L135 F167 R215 D218 Y283I126-H130 WeakPolarHBondContact CG2-CE1 3.31Å; I126-H130 WeakPolarHBondContact CG2-ND1 3.17Å; I126-H130 WeakPolarHBondContact O-CB 3.46Å; I126-H130 PolarHBondContact O-N 3.03Å; I126-H130 VanDerWaalsContact O-N 3.11Å; I126-H130 PolarHBondContact O-ND1 3.32Å; E127-H130 PolarHBondContact O-N 3.31Å; D128-H130 VanDerWaalsContact C-N 3.32Å; D128-H130 PolarHBondContact O-N 2.91Å; H130-V132 PolarHBondContact O-N 2.88Å; H130-G133 PolarHBondContact O-N 3.13Å; H130-F134 PolarHBondContact CD2-O 2.99Å; H130-F134 VanDerWaalsContact CD2-O 3.29Å; H130-L135 WeakPolarHBondContact NE2-CD2 3.4Å; H130-F167 WeakPolarHBondContact O-CZ 3.48Å; H130-R215 HydrophobicContact CB-CG 4.44Å; H130-R215 PolarHBondContact CE1-O 3.02Å; H130-D218 IonicContact NE2-OD2 2.86Å; H130-D218 PolarHBondContact NE2-OD2 2.93Å; H130-Y283 WeakPolarHBondContact CB-OH 3.5Å; H130-Y283 AromaticContact ND1-CE1 3.65Å; H130-Y283 AromaticContact ND1-CZ 3.65Å; H130-Y283 PolarHBondContact ND1-OH 2.96Å
131S95.6Very high97.5Very high89 Ų8924.4 Ų24.462%0.62213%0.129SC*.Hα-helixtrans-61.8-31179.680.90000112.6E127 D128 G133E127-S131 WeakPolarHBondContact O-CB 3.45Å; E127-S131 PolarHBondContact O-N 2.76Å; D128-S131 WeakPolarHBondContact O-CB 3.49Å; D128-S131 PolarHBondContact O-N 2.71Å; D128-S131 PolarHBondContact O-OG 3.42Å; S131-G133 VanDerWaalsContact C-N 3.31Å
132V94.9Very high97.4Very high34 Ų3424.2 Ų24.221%0.20613%0.134CC..THydrogen-bonded Turntrans-89.56.4176.5-62.10000113.6R70 L71 D128 I129 H130 F134R70-V132 HydrophobicContact CB-CB 4.33Å; R70-V132 HydrophobicContact CG-CB 3.68Å; R70-V132 HydrophobicContact CG-CG1 4.01Å; R70-V132 HydrophobicContact CG-CG2 4.37Å; L71-V132 HydrophobicContact CD2-CG1 4.33Å; L71-V132 HydrophobicContact CD2-CG2 3.8Å; L71-V132 HydrophobicContact CG-CG2 4.2Å; D128-V132 PolarHBondContact O-N 2.86Å; I129-V132 WeakPolarHBondContact O-CG2 3.11Å; I129-V132 PolarHBondContact O-N 3.28Å; H130-V132 PolarHBondContact O-N 2.88Å; V132-F134 HydrophobicContact CG2-CD2 4.15Å; V132-F134 WeakPolarHBondContact O-CD2 3.48Å
133G96.4Very high97.3Very high2 Ų224.7 Ų24.72%0.02114%0.136CC..THydrogen-bonded Turntrans87.319.5170.700000115.5H130 S131 Q166 F167 L168H130-G133 PolarHBondContact O-N 3.13Å; S131-G133 VanDerWaalsContact C-N 3.31Å; G133-Q166 CarbonylContact O-C 3.56Å; G133-Q166 VanDerWaalsContact O-CA 3.32Å; G133-Q166 WeakPolarHBondContact O-CA 3.19Å; G133-Q166 WeakPolarHBondContact O-CG 3.48Å; G133-F167 VanDerWaalsContact O-CD1 3.22Å; G133-F167 WeakPolarHBondContact O-CD1 3.33Å; G133-F167 PolarHBondContact O-N 3.17Å; G133-L168 PolarHBondContact O-N 2.74Å
134F97Very high97.3Very high13 Ų1324.5 Ų24.56%0.05714%0.135CC..EExtended strand (participates in β ladder)trans-118.9142.8178.5-68.6-92.6000112.1M63 V67 I129 H130 V132 R165 Q166M63-F134 HydrophobicContact SD-CD1 4.25Å; M63-F134 HydrophobicContact SD-CE1 3.58Å; M63-F134 VanDerWaalsContact SD-CE1 3.58Å; V67-F134 HydrophobicContact CG2-CB 4.4Å; V67-F134 HydrophobicContact CG2-CD1 3.6Å; V67-F134 HydrophobicContact CG2-CD2 4.28Å; V67-F134 HydrophobicContact CG2-CE1 3.85Å; V67-F134 HydrophobicContact CG2-CE2 4.49Å; V67-F134 HydrophobicContact CG2-CG 3.84Å; V67-F134 HydrophobicContact CG2-CZ 4.29Å; I129-F134 CarbonylContact C-O 3.59Å; I129-F134 HydrophobicContact CD1-CB 4.24Å; I129-F134 HydrophobicContact CG1-CB 3.81Å; I129-F134 PolarHBondContact O-N 3.44Å; H130-F134 PolarHBondContact CD2-O 2.99Å; H130-F134 VanDerWaalsContact CD2-O 3.29Å; V132-F134 HydrophobicContact CG2-CD2 4.15Å; V132-F134 WeakPolarHBondContact O-CD2 3.48Å; F134-R165 WeakPolarHBondContact CA-O 3.28Å; F134-Q166 HydrophobicContact CD1-CB 3.89Å; F134-Q166 HydrophobicContact CD1-CG 4.23Å; F134-Q166 HydrophobicContact CE1-CB 3.6Å; F134-Q166 HydrophobicContact CE1-CG 3.85Å; F134-Q166 HydrophobicContact CE2-CG 4.29Å; F134-Q166 HydrophobicContact CZ-CB 4.15Å; F134-Q166 HydrophobicContact CZ-CG 3.9Å
135L97.2Very high97.3Very high2 Ų219.8 Ų19.81%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-93.7143.5163.3-55176.4000108.3H130 R137 A164 R165 F167 M213 R215H130-L135 WeakPolarHBondContact NE2-CD2 3.4Å; L135-R137 HydrophobicContact CB-CG 3.7Å; L135-A164 CarbonylContact O-C 3.43Å; L135-A164 WeakPolarHBondContact O-CA 3.36Å; L135-A164 WeakPolarHBondContact O-CB 3.32Å; L135-R165 PolarHBondContact N-O 2.85Å; L135-R165 PolarHBondContact O-N 3.27Å; L135-F167 HydrophobicContact CD1-CB 4.15Å; L135-F167 HydrophobicContact CD2-CB 4.48Å; L135-F167 HydrophobicContact CD2-CD1 3.7Å; L135-F167 HydrophobicContact CD2-CE1 4.14Å; L135-F167 HydrophobicContact CD2-CG 4.13Å; L135-F167 HydrophobicContact CG-CB 4.01Å; L135-F167 HydrophobicContact CG-CD1 3.76Å; L135-F167 HydrophobicContact CG-CG 4.12Å; L135-M213 WeakPolarHBondContact CD1-O 3.45Å; L135-R215 HydrophobicContact CD2-CB 4.29Å; L135-R215 HydrophobicContact CD2-CG 3.69Å
136H97.5Very high97.3Very high0 Ų019.6 Ų19.60%011%0.111CC..  trans-77.9-48.8175.3-169.4-87000111.4I129 D138 I139 M158 L159 D160 Y161 L163 A164 D218I129-H136 HydrophobicContact CD1-CB 4.02Å; H136-D138 PolarHBondContact CE1-O 3.44Å; H136-D138 PolarHBondContact ND1-N 2.92Å; H136-D138 PolarHBondContact ND1-O 3.24Å; H136-D138 PolarHBondContact O-N 3.24Å; H136-I139 HydrophobicContact CB-CD1 3.59Å; H136-I139 HydrophobicContact CB-CG1 3.98Å; H136-I139 PolarHBondContact ND1-N 2.95Å; H136-M158 PolarHBondContact CD2-SD 2.85Å; H136-L159 PolarHBondContact NE2-O 2.8Å; H136-L159 VanDerWaalsContact NE2-O 3.09Å; H136-D160 PolarHBondContact CE1-O 3.24Å; H136-D160 PolarHBondContact NE2-O 2.88Å; H136-D160 VanDerWaalsContact NE2-O 3.14Å; H136-Y161 AromaticContact CD2-CD1 3.84Å; H136-L163 CarbonylContact O-C 3.43Å; H136-A164 PolarHBondContact O-N 2.88Å; H136-D218 PolarHBondContact N-OD2 2.97Å
137R96.4Very high97.1Very high22 Ų2219.8 Ų19.88%0.08311%0.113CC..SBendtrans65.24.9178.7-51-169-59166.7-0.6117.1L135 L163 M213 D218L135-R137 HydrophobicContact CB-CG 3.7Å; R137-L163 PolarHBondContact NE-O 2.65Å; R137-L163 PolarHBondContact NH2-O 3.16Å; R137-M213 HydrophobicContact CB-CE 3.68Å; R137-M213 HydrophobicContact CB-SD 4.03Å; R137-M213 HydrophobicContact CG-CE 3.92Å; R137-M213 HydrophobicContact CG-SD 4.09Å; R137-D218 VanDerWaalsContact CA-OD1 3.24Å; R137-D218 WeakPolarHBondContact CA-OD1 3Å; R137-D218 PolarHBondContact N-OD1 3.02Å; R137-D218 PolarHBondContact N-OD2 3.36Å
138D96.6Very high96.9Very high11 Ų1121.8 Ų21.86%0.05912%0.117CC..  trans-143.446.5171.7-162.333.3000112.1H136 K140 N143 L163 G185 T186H136-D138 PolarHBondContact CE1-O 3.44Å; H136-D138 PolarHBondContact ND1-N 2.92Å; H136-D138 PolarHBondContact ND1-O 3.24Å; H136-D138 PolarHBondContact O-N 3.24Å; D138-K140 PolarHBondContact O-N 2.84Å; D138-K140 IonicContact OD1-NZ 2.61Å; D138-K140 WeakPolarHBondContact OD2-CE 3.42Å; D138-K140 IonicContact OD2-NZ 2.71Å; D138-K140 PolarHBondContact OD2-NZ 3.31Å; D138-N143 PolarHBondContact O-ND2 3.17Å; D138-N143 PolarHBondContact OD2-ND2 2.86Å; D138-L163 HydrophobicContact CB-CB 4.28Å; D138-L163 HydrophobicContact CB-CD1 3.73Å; D138-G185 VanDerWaalsContact OD1-CA 3.24Å; D138-G185 WeakPolarHBondContact OD1-CA 3.24Å; D138-T186 WeakPolarHBondContact OD1-CB 3.33Å; D138-T186 PolarHBondContact OD1-N 3.25Å; D138-T186 PolarHBondContact OD1-OG1 3.48Å
139I98.5Very high96.7Very high1 Ų122.4 Ų22.41%0.00512%0.124CC..  trans-65.2116.2174.7-63.1-65.7000108.8I126 H136 F144 M158 D218 S221 M225I126-I139 HydrophobicContact CD1-CD1 4.01Å; I126-I139 HydrophobicContact CD1-CG1 4.22Å; I126-I139 HydrophobicContact CD1-CG2 4.03Å; I126-I139 HydrophobicContact CG1-CD1 3.72Å; I126-I139 HydrophobicContact CG1-CG1 4.36Å; H136-I139 HydrophobicContact CB-CD1 3.59Å; H136-I139 HydrophobicContact CB-CG1 3.98Å; H136-I139 PolarHBondContact ND1-N 2.95Å; I139-F144 HydrophobicContact CD1-CE2 4.22Å; I139-F144 HydrophobicContact CD1-CZ 3.8Å; I139-F144 HydrophobicContact CG2-CE2 4.03Å; I139-F144 HydrophobicContact CG2-CZ 4.39Å; I139-M158 HydrophobicContact CD1-CE 3.83Å; I139-D218 HydrophobicContact CG1-CB 3.82Å; I139-S221 WeakPolarHBondContact O-CB 3.32Å; I139-M225 HydrophobicContact CG2-SD 3.59Å; I139-M225 VanDerWaalsContact CG2-SD 3.59Å
140K98Very high96.4Very high34 Ų3431.7 Ų31.715%0.14817%0.167CC..  trans-160.9158.1-179.769-163.9-172.8-158.90110.8D138 S142 N143 F144 T186 Y189 M225D138-K140 PolarHBondContact O-N 2.84Å; D138-K140 IonicContact OD1-NZ 2.61Å; D138-K140 WeakPolarHBondContact OD2-CE 3.42Å; D138-K140 IonicContact OD2-NZ 2.71Å; D138-K140 PolarHBondContact OD2-NZ 3.31Å; K140-S142 WeakPolarHBondContact CE-OG 3.47Å; K140-S142 PolarHBondContact O-N 3.41Å; K140-N143 WeakPolarHBondContact CE-ND2 3.4Å; K140-N143 VanDerWaalsContact CE-OD1 3.31Å; K140-N143 WeakPolarHBondContact CE-OD1 3.09Å; K140-N143 HydrophobicContact CG-CB 4.09Å; K140-N143 PolarHBondContact O-N 3.43Å; K140-F144 VanDerWaalsContact O-CD2 3.28Å; K140-F144 WeakPolarHBondContact O-CD2 3.24Å; K140-T186 HydrophobicContact CD-CG2 4.3Å; K140-T186 WeakPolarHBondContact CD-OG1 3.26Å; K140-T186 PolarHBondContact NZ-OG1 3.33Å; K140-T186 VanDerWaalsContact NZ-OG1 3.07Å; K140-Y189 HydrophobicContact CB-CD2 3.45Å; K140-Y189 VanDerWaalsContact CB-CD2 3.45Å; K140-Y189 HydrophobicContact CB-CE2 3.72Å; K140-Y189 HydrophobicContact CB-CG 4.18Å; K140-M225 VanDerWaalsContact CA-SD 3.58Å
141P98.4Very high96.2Very high1 Ų135.7 Ų35.71%0.00620%0.201CC..G310 helixtrans-59.1-28.2-173.4-26.637.1000115.1L98 A99 N143 F144 Y189 M225 F229L98-P141 HydrophobicContact CB-CB 4.12Å; L98-P141 WeakPolarHBondContact CB-O 3.24Å; L98-P141 PolarHBondContact N-O 3.09Å; L98-P141 VanDerWaalsContact N-O 3.15Å; A99-P141 HydrophobicContact CB-CB 3.82Å; A99-P141 PolarHBondContact N-O 3.35Å; P141-N143 VanDerWaalsContact C-N 3.3Å; P141-N143 PolarHBondContact O-N 3.29Å; P141-F144 PolarHBondContact O-N 2.49Å; P141-F144 VanDerWaalsContact O-O 3.1Å; P141-Y189 HydrophobicContact CG-CE1 4.24Å; P141-M225 HydrophobicContact CG-CE 4.3Å; P141-M225 HydrophobicContact CG-CG 3.96Å; P141-M225 HydrophobicContact CG-SD 4.48Å; P141-F229 HydrophobicContact CB-CE1 3.87Å; P141-F229 HydrophobicContact CB-CZ 4.15Å; P141-F229 HydrophobicContact CG-CE1 3.64Å; P141-F229 HydrophobicContact CG-CZ 4.09Å
142S97Very high96.1Very high48 Ų4832.8 Ų32.834%0.33618%0.18SC..G310 helixtrans-76.8-15.9178.565.50000113.8K140 F144K140-S142 WeakPolarHBondContact CE-OG 3.47Å; K140-S142 PolarHBondContact O-N 3.41Å; S142-F144 VanDerWaalsContact C-N 3.28Å
143N97.1Very high96.1Very high10 Ų1032.8 Ų32.85%0.05318%0.181CC..G310 helixtrans-94.414176.5-71.41.8000111.7D138 K140 P141 L159D138-N143 PolarHBondContact O-ND2 3.17Å; D138-N143 PolarHBondContact OD2-ND2 2.86Å; K140-N143 WeakPolarHBondContact CE-ND2 3.4Å; K140-N143 VanDerWaalsContact CE-OD1 3.31Å; K140-N143 WeakPolarHBondContact CE-OD1 3.09Å; K140-N143 HydrophobicContact CG-CB 4.09Å; K140-N143 PolarHBondContact O-N 3.43Å; P141-N143 VanDerWaalsContact C-N 3.3Å; P141-N143 PolarHBondContact O-N 3.29Å; N143-L159 WeakPolarHBondContact O-CB 3.43Å; N143-L159 PolarHBondContact O-N 3.38Å
144F98.2Very high96.1Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-129.1132.7170.4-67.5-84.2000108.8N97 L98 V122 A125 I139 K140 P141 S142 V156 F157 M158 M225N97-F144 CarbonylContact C-O 3.55Å; N97-F144 WeakPolarHBondContact CA-O 3.21Å; N97-F144 VanDerWaalsContact CB-O 3.3Å; N97-F144 WeakPolarHBondContact CB-O 3.37Å; L98-F144 HydrophobicContact CD1-CB 3.61Å; L98-F144 HydrophobicContact CD1-CG 4.4Å; L98-F144 HydrophobicContact CG-CB 3.78Å; L98-F144 PolarHBondContact N-O 3.31Å; V122-F144 HydrophobicContact CB-CE1 4.27Å; V122-F144 HydrophobicContact CB-CZ 4.44Å; V122-F144 HydrophobicContact CG1-CD1 4.39Å; V122-F144 HydrophobicContact CG1-CD2 4.47Å; V122-F144 HydrophobicContact CG1-CE1 3.75Å; V122-F144 HydrophobicContact CG1-CE2 3.87Å; V122-F144 HydrophobicContact CG1-CZ 3.46Å; V122-F144 VanDerWaalsContact CG1-CZ 3.46Å; V122-F144 HydrophobicContact CG2-CD1 3.85Å; V122-F144 HydrophobicContact CG2-CD2 4.35Å; V122-F144 HydrophobicContact CG2-CE1 4.01Å; V122-F144 HydrophobicContact CG2-CG 4.02Å; V122-F144 HydrophobicContact CG2-CZ 4.36Å; A125-F144 HydrophobicContact CB-CE1 4.34Å; I139-F144 HydrophobicContact CD1-CE2 4.22Å; I139-F144 HydrophobicContact CD1-CZ 3.8Å; I139-F144 HydrophobicContact CG2-CE2 4.03Å; I139-F144 HydrophobicContact CG2-CZ 4.39Å; K140-F144 VanDerWaalsContact O-CD2 3.28Å; K140-F144 WeakPolarHBondContact O-CD2 3.24Å; P141-F144 PolarHBondContact O-N 2.49Å; P141-F144 VanDerWaalsContact O-O 3.1Å; S142-F144 VanDerWaalsContact C-N 3.28Å; F144-V156 HydrophobicContact CB-CG1 3.88Å; F144-V156 HydrophobicContact CD1-CG1 3.89Å; F144-V156 HydrophobicContact CG-CG1 4.29Å; F144-F157 VanDerWaalsContact CA-O 3.26Å; F144-F157 WeakPolarHBondContact CA-O 3.39Å; F144-M158 HydrophobicContact CD1-CB 4.19Å; F144-M158 HydrophobicContact CE1-CB 3.79Å; F144-M158 HydrophobicContact CE1-CE 3.78Å; F144-M158 HydrophobicContact CE1-CG 3.9Å; F144-M158 HydrophobicContact CZ-CE 3.8Å; F144-M158 HydrophobicContact CZ-CG 4.24Å; F144-M225 HydrophobicContact CD2-CE 3.87Å; F144-M225 HydrophobicContact CE2-CE 4.04Å; F144-M225 HydrophobicContact CE2-SD 4.28Å
145A97.8Very high96.1Very high1 Ų140.4 Ų40.41%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-132.3150.6177.500000111.7Q94 R96 N97 V156 F157 L159Q94-A145 HydrophobicContact CB-CB 3.99Å; R96-A145 WeakPolarHBondContact O-CA 3.31Å; N97-A145 HydrophobicContact CB-CB 4.46Å; A145-V156 WeakPolarHBondContact O-CA 3.2Å; A145-F157 PolarHBondContact N-O 3.07Å; A145-F157 PolarHBondContact O-N 3.06Å; A145-L159 HydrophobicContact CB-CD1 3.73Å; A145-L159 HydrophobicContact CB-CG 4.48Å
146I97.6Very high96.1Very high15 Ų1540.9 Ų40.98%0.07722%0.216CC..EExtended strand (participates in β ladder)trans-74.8156.7168.760.6173.4000110.3G95 R96 L98 L101 I155 W307G95-I146 WeakPolarHBondContact CA-O 3.4Å; G95-I146 PolarHBondContact N-O 3.12Å; R96-I146 PolarHBondContact O-N 2.94Å; L98-I146 HydrophobicContact CD2-CG2 4.33Å; L101-I146 HydrophobicContact CD1-CD1 4.06Å; L101-I146 HydrophobicContact CD1-CG1 4.12Å; L101-I146 HydrophobicContact CD1-CG2 3.91Å; L101-I146 HydrophobicContact CD2-CD1 4.29Å; I146-I155 CarbonylContact C-O 3.49Å; I146-I155 VanDerWaalsContact CA-O 3.28Å; I146-I155 WeakPolarHBondContact CA-O 3.45Å; I146-W307 HydrophobicContact CG2-CH2 4.43Å; I146-W307 HydrophobicContact CG2-CZ2 3.85Å
147G95.9Very high96.1Very high3 Ų341.6 Ų41.63%0.03122%0.22CC..  trans-63.1162.5168.800000113.1T152 S153 I155G147-T152 WeakPolarHBondContact CA-O 3.17Å; G147-T152 WeakPolarHBondContact CA-OG1 3.47Å; G147-T152 PolarHBondContact N-O 2.69Å; G147-T152 VanDerWaalsContact N-O 3.17Å; G147-S153 WeakPolarHBondContact O-CA 3.45Å; G147-I155 PolarHBondContact N-O 2.94Å
148R93.7Very high96.1Very high106 Ų10640.9 Ų40.940%0.422%0.218SC..SBendtrans-107.7-12.2-174.863.4177-59.2-167.69.2114.3Q46 L93 T152Q46-R148 PolarHBondContact O-NH1 2.95Å; L93-R148 WeakPolarHBondContact O-CD 3.47Å; R148-T152 PolarHBondContact N-OG1 3.11Å
149T92.2Very high96Very high72 Ų7242.3 Ų42.344%0.44223%0.225SC..SBendtrans-96.7160.2177.4690000109.6A151 T152 S153T149-A151 PolarHBondContact O-N 2.83Å; T149-T152 PolarHBondContact N-OG1 2.89Å; T149-T152 VanDerWaalsContact N-OG1 3.15Å; T149-T152 PolarHBondContact O-N 2.89Å; T149-T152 PolarHBondContact O-OG1 3.16Å; T149-T152 WeakPolarHBondContact OG1-CG2 3.49Å; T149-T152 PolarHBondContact OG1-N 3.4Å; T149-T152 PolarHBondContact OG1-OG1 3.33Å; T149-S153 WeakPolarHBondContact O-CB 3.46Å; T149-S153 PolarHBondContact O-N 3.21Å
150Q91.1Very high95.8Very high195 Ų19545 Ų4591%0.91124%0.239SC*.THydrogen-bonded Turntrans-56.6-34.1175.6-171.4176.214.400112.4T152 S153Q150-T152 VanDerWaalsContact C-N 3.33Å; Q150-S153 PolarHBondContact O-OG 2.73Å
151A92.7Very high95.6Very high90 Ų9043.7 Ų43.774%0.74423%0.233SC*.THydrogen-bonded Turntrans-73.2-22.5177.900000113.8T149T149-A151 PolarHBondContact O-N 2.83Å
152T94.5Very high95.3Very high29 Ų2944 Ų4418%0.17824%0.236CC..THydrogen-bonded Turntrans-117.3-6.9-172.260.30000113.8G147 R148 T149 Q150 R154 I155 F157G147-T152 WeakPolarHBondContact CA-O 3.17Å; G147-T152 WeakPolarHBondContact CA-OG1 3.47Å; G147-T152 PolarHBondContact N-O 2.69Å; G147-T152 VanDerWaalsContact N-O 3.17Å; R148-T152 PolarHBondContact N-OG1 3.11Å; T149-T152 PolarHBondContact N-OG1 2.89Å; T149-T152 VanDerWaalsContact N-OG1 3.15Å; T149-T152 PolarHBondContact O-N 2.89Å; T149-T152 PolarHBondContact O-OG1 3.16Å; T149-T152 WeakPolarHBondContact OG1-CG2 3.49Å; T149-T152 PolarHBondContact OG1-N 3.4Å; T149-T152 PolarHBondContact OG1-OG1 3.33Å; Q150-T152 VanDerWaalsContact C-N 3.33Å; T152-R154 PolarHBondContact O-N 3.07Å; T152-I155 HydrophobicContact CG2-CD1 4.45Å; T152-I155 WeakPolarHBondContact O-CB 3.31Å; T152-I155 PolarHBondContact O-N 2.73Å; T152-F157 HydrophobicContact CG2-CZ 4.33Å
153S94.8Very high95.2Very high34 Ų3442.3 Ų42.324%0.23822%0.223CC..THydrogen-bonded Turntrans-60.9-14.5-17460.40000115.2G147 T149 Q150G147-S153 WeakPolarHBondContact O-CA 3.45Å; T149-S153 WeakPolarHBondContact O-CB 3.46Å; T149-S153 PolarHBondContact O-N 3.21Å; Q150-S153 PolarHBondContact O-OG 2.73Å
154R96.2Very high95.1Very high102 Ų10242.1 Ų42.139%0.38522%0.224SC..THydrogen-bonded Turntrans-106.2-0176.5-67-177.7166.7-161.9-12.2114Q121 T152 D302 Y305 E308Q121-R154 PolarHBondContact NE2-O 3.46Å; T152-R154 PolarHBondContact O-N 3.07Å; R154-D302 PolarHBondContact NH1-O 3.21Å; R154-D302 VanDerWaalsContact NH1-O 3.16Å; R154-Y305 HydrophobicContact CB-CE2 3.98Å; R154-Y305 HydrophobicContact CG-CD2 4.24Å; R154-Y305 HydrophobicContact CG-CE2 4.05Å; R154-E308 WeakPolarHBondContact CG-OE1 3.39Å; R154-E308 IonicContact CZ-OE1 2.69Å; R154-E308 IonicContact CZ-OE2 3.33Å; R154-E308 IonicContact NE-OE1 3.54Å; R154-E308 PolarHBondContact NE-OE1 3.41Å; R154-E308 IonicContact NE-OE2 3.31Å; R154-E308 PolarHBondContact NE-OE2 2.7Å; R154-E308 IonicContact NH2-OE1 3.6Å; R154-E308 PolarHBondContact NH2-OE1 2.7Å; R154-E308 IonicContact NH2-OE2 3.8Å; R154-E308 PolarHBondContact NH2-OE2 3.22Å
155I96.7Very high95Very high72 Ų7244.8 Ų44.837%0.36923%0.234SC..  trans-98.6135.5178.9-55.4178.6000109.1I146 G147 T152 F157I146-I155 CarbonylContact C-O 3.49Å; I146-I155 VanDerWaalsContact CA-O 3.28Å; I146-I155 WeakPolarHBondContact CA-O 3.45Å; G147-I155 PolarHBondContact N-O 2.94Å; T152-I155 HydrophobicContact CG2-CD1 4.45Å; T152-I155 WeakPolarHBondContact O-CB 3.31Å; T152-I155 PolarHBondContact O-N 2.73Å; I155-F157 HydrophobicContact CB-CE1 4.47Å; I155-F157 HydrophobicContact CB-CE2 4.12Å; I155-F157 HydrophobicContact CB-CZ 3.88Å; I155-F157 HydrophobicContact CG2-CD1 4.3Å; I155-F157 HydrophobicContact CG2-CE1 3.62Å; I155-F157 HydrophobicContact CG2-CE2 4.08Å; I155-F157 HydrophobicContact CG2-CZ 3.53Å
156V97.5Very high94.9Very high12 Ų1247.3 Ų47.37%0.07325%0.245CC..EExtended strand (participates in β ladder)trans-98125.4176.6-178.60000110.2L98 L118 Q121 V122 F144 A145L98-V156 HydrophobicContact CD1-CG1 4.26Å; L118-V156 HydrophobicContact CD2-CG2 3.37Å; Q121-V156 HydrophobicContact CB-CB 3.9Å; Q121-V156 HydrophobicContact CB-CG2 3.97Å; Q121-V156 HydrophobicContact CG-CG2 4.43Å; V122-V156 HydrophobicContact CG2-CG1 4.16Å; F144-V156 HydrophobicContact CB-CG1 3.88Å; F144-V156 HydrophobicContact CD1-CG1 3.89Å; F144-V156 HydrophobicContact CG-CG1 4.29Å; A145-V156 WeakPolarHBondContact O-CA 3.2Å
157F97.2Very high94.8Very high15 Ų1546.9 Ų46.97%0.06624%0.243CC..EExtended strand (participates in β ladder)trans-107134.3177.7-60.1-68000111.4E74 Q94 F144 A145 T152 I155 L159E74-F157 HydrophobicContact CB-CD1 3.22Å; E74-F157 HydrophobicContact CB-CE1 3.11Å; E74-F157 HydrophobicContact CB-CG 4.31Å; E74-F157 HydrophobicContact CB-CZ 4.11Å; E74-F157 HydrophobicContact CG-CD1 4.1Å; E74-F157 HydrophobicContact CG-CE1 3.45Å; E74-F157 VanDerWaalsContact CG-CE1 3.45Å; E74-F157 HydrophobicContact CG-CZ 4.08Å; Q94-F157 HydrophobicContact CG-CB 4.23Å; Q94-F157 HydrophobicContact CG-CD2 4.26Å; Q94-F157 HydrophobicContact CG-CG 4.42Å; Q94-F157 VanDerWaalsContact OE1-CE2 3.27Å; F144-F157 VanDerWaalsContact CA-O 3.26Å; F144-F157 WeakPolarHBondContact CA-O 3.39Å; A145-F157 PolarHBondContact N-O 3.07Å; A145-F157 PolarHBondContact O-N 3.06Å; T152-F157 HydrophobicContact CG2-CZ 4.33Å; I155-F157 HydrophobicContact CB-CE1 4.47Å; I155-F157 HydrophobicContact CB-CE2 4.12Å; I155-F157 HydrophobicContact CB-CZ 3.88Å; I155-F157 HydrophobicContact CG2-CD1 4.3Å; I155-F157 HydrophobicContact CG2-CE1 3.62Å; I155-F157 HydrophobicContact CG2-CE2 4.08Å; I155-F157 HydrophobicContact CG2-CZ 3.53Å; F157-L159 HydrophobicContact CB-CD2 4.48Å
158M97.4Very high94.8Very high8 Ų848.5 Ų48.54%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-79.2134.8171.3-176-178.7-73.900110.3P75 A125 I126 I129 H136 I139 F144 Y161P75-M158 WeakPolarHBondContact CD-O 3.45Å; A125-M158 VanDerWaalsContact C-CE 3.46Å; A125-M158 HydrophobicContact CB-CB 4.18Å; A125-M158 HydrophobicContact CB-CE 3.75Å; A125-M158 WeakPolarHBondContact O-CE 3.38Å; I126-M158 HydrophobicContact CG1-CE 3.85Å; I129-M158 HydrophobicContact CB-SD 4.39Å; I129-M158 HydrophobicContact CD1-SD 4.26Å; I129-M158 HydrophobicContact CG2-CE 4.21Å; I129-M158 HydrophobicContact CG2-SD 4.21Å; H136-M158 PolarHBondContact CD2-SD 2.85Å; I139-M158 HydrophobicContact CD1-CE 3.83Å; F144-M158 HydrophobicContact CD1-CB 4.19Å; F144-M158 HydrophobicContact CE1-CB 3.79Å; F144-M158 HydrophobicContact CE1-CE 3.78Å; F144-M158 HydrophobicContact CE1-CG 3.9Å; F144-M158 HydrophobicContact CZ-CE 3.8Å; F144-M158 HydrophobicContact CZ-CG 4.24Å; M158-Y161 HydrophobicContact CG-CE1 4Å; M158-Y161 PolarHBondContact O-OH 3.43Å; M158-Y161 HydrophobicContact SD-CE1 3.73Å
159L94.8Very high94.8Very high40 Ų4045.3 Ų45.321%0.20924%0.241CC..  trans-124.5161.8-176.2-49.5179.3000111P75 Q94 H136 N143 A145 F157P75-L159 HydrophobicContact CG-CD2 3.8Å; Q94-L159 HydrophobicContact CB-CD2 4.38Å; Q94-L159 HydrophobicContact CG-CD2 3.94Å; H136-L159 PolarHBondContact NE2-O 2.8Å; H136-L159 VanDerWaalsContact NE2-O 3.09Å; N143-L159 WeakPolarHBondContact O-CB 3.43Å; N143-L159 PolarHBondContact O-N 3.38Å; A145-L159 HydrophobicContact CB-CD1 3.73Å; A145-L159 HydrophobicContact CB-CG 4.48Å; F157-L159 HydrophobicContact CB-CD2 4.48Å
160D92.8Very high94.8Very high57 Ų5748 Ų4831%0.30526%0.26SS..  trans61.477.3168.2-166.47.2000116.1K50 H136 G162K50-D160 IonicContact NZ-OD1 3.45Å; K50-D160 PolarHBondContact NZ-OD1 2.97Å; H136-D160 PolarHBondContact CE1-O 3.24Å; H136-D160 PolarHBondContact NE2-O 2.88Å; H136-D160 VanDerWaalsContact NE2-O 3.14Å; D160-G162 PolarHBondContact O-N 2.97Å; D160-G162 PolarHBondContact OD1-N 3.42Å
161Y94.4Very high94.9Very high8 Ų846.8 Ų46.83%0.03125%0.252CS..G310 helixtrans-82.113.2175.4-52.2-72.6000113.7E64 V67 L68 L71 I129 H136 M158 L163 A164E64-Y161 VanDerWaalsContact CG-C 3.46Å; V67-Y161 HydrophobicContact CB-CD1 4.34Å; V67-Y161 HydrophobicContact CB-CG 4.05Å; V67-Y161 HydrophobicContact CG1-CD1 3.52Å; V67-Y161 HydrophobicContact CG1-CD2 4.25Å; V67-Y161 HydrophobicContact CG1-CE1 3.89Å; V67-Y161 HydrophobicContact CG1-CG 3.7Å; L68-Y161 HydrophobicContact CD2-CD2 4.08Å; L68-Y161 HydrophobicContact CD2-CE2 3.49Å; L68-Y161 VanDerWaalsContact CD2-CE2 3.49Å; L68-Y161 HydrophobicContact CG-CD2 3.9Å; L68-Y161 HydrophobicContact CG-CE2 3.84Å; L71-Y161 HydrophobicContact CD1-CE1 3.96Å; L71-Y161 WeakPolarHBondContact CD1-OH 3.35Å; I129-Y161 HydrophobicContact CD1-CD1 3.76Å; I129-Y161 HydrophobicContact CD1-CE1 3.88Å; H136-Y161 AromaticContact CD2-CD1 3.84Å; M158-Y161 HydrophobicContact CG-CE1 4Å; M158-Y161 PolarHBondContact O-OH 3.43Å; M158-Y161 HydrophobicContact SD-CE1 3.73Å; Y161-L163 PolarHBondContact O-N 3.32Å; Y161-L163 VanDerWaalsContact O-N 3.14Å; Y161-A164 WeakPolarHBondContact O-CB 3.5Å; Y161-A164 PolarHBondContact O-N 3.19Å
162G92.9Very high94.9Very high6 Ų644.7 Ų44.76%0.06224%0.239CC..G310 helixtrans-65.6-20.9-171.300000114V60 E64 D160V60-G162 WeakPolarHBondContact CB-O 3.38Å; V60-G162 WeakPolarHBondContact CG1-O 3.42Å; E64-G162 WeakPolarHBondContact OE1-CA 3.06Å; E64-G162 PolarHBondContact OE1-N 3.41Å; D160-G162 PolarHBondContact O-N 2.97Å; D160-G162 PolarHBondContact OD1-N 3.42Å
163L94Very high94.9Very high13 Ų1348.2 Ų48.27%0.06825%0.253CS..G310 helixtrans-101.72173.8-66.3179.9000113.4F31 H136 R137 D138 Y161 R184F31-L163 HydrophobicContact CE2-CD2 4.14Å; F31-L163 HydrophobicContact CZ-CD2 4.15Å; H136-L163 CarbonylContact O-C 3.43Å; R137-L163 PolarHBondContact NE-O 2.65Å; R137-L163 PolarHBondContact NH2-O 3.16Å; D138-L163 HydrophobicContact CB-CB 4.28Å; D138-L163 HydrophobicContact CB-CD1 3.73Å; Y161-L163 PolarHBondContact O-N 3.32Å; Y161-L163 VanDerWaalsContact O-N 3.14Å; L163-R184 HydrophobicContact CD2-CB 4.44Å
164A95.7Very high94.9Very high7 Ų749.6 Ų49.66%0.05826%0.258CS..  trans-60.5153.7-178.400000112.2V67 L135 H136 Y161V67-A164 HydrophobicContact CG2-CB 4Å; L135-A164 CarbonylContact O-C 3.43Å; L135-A164 WeakPolarHBondContact O-CA 3.36Å; L135-A164 WeakPolarHBondContact O-CB 3.32Å; H136-A164 PolarHBondContact O-N 2.88Å; Y161-A164 WeakPolarHBondContact O-CB 3.5Å; Y161-A164 PolarHBondContact O-N 3.19Å
165R94.6Very high94.9Very high56 Ų5648.8 Ų48.821%0.21126%0.255CS..EExtended strand (participates in β ladder)trans-144.4129.6178.1176.5170.8177702.7110.3F134 L135 F167 R178 E212F134-R165 WeakPolarHBondContact CA-O 3.28Å; L135-R165 PolarHBondContact N-O 2.85Å; L135-R165 PolarHBondContact O-N 3.27Å; R165-F167 PolarHBondContact O-N 3.32Å; R165-R178 VanDerWaalsContact CZ-NE 3.35Å; R165-R178 VanDerWaalsContact NH2-CD 3.31Å; R165-E212 IonicContact CZ-OE2 3.54Å; R165-E212 IonicContact NE-OE1 3.6Å; R165-E212 IonicContact NE-OE2 2.91Å; R165-E212 PolarHBondContact NE-OE2 3.05Å; R165-E212 IonicContact NH2-OE2 3.15Å; R165-E212 PolarHBondContact NH2-OE2 2.96Å; R165-E212 VanDerWaalsContact NH2-OE2 3.15Å
166Q95.8Very high94.6Very high54 Ų5450.4 Ų50.425%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-66.8120.2171.3-154.3-175.60.700109.6G133 F134 L168G133-Q166 CarbonylContact O-C 3.56Å; G133-Q166 VanDerWaalsContact O-CA 3.32Å; G133-Q166 WeakPolarHBondContact O-CA 3.19Å; G133-Q166 WeakPolarHBondContact O-CG 3.48Å; F134-Q166 HydrophobicContact CD1-CB 3.89Å; F134-Q166 HydrophobicContact CD1-CG 4.23Å; F134-Q166 HydrophobicContact CE1-CB 3.6Å; F134-Q166 HydrophobicContact CE1-CG 3.85Å; F134-Q166 HydrophobicContact CE2-CG 4.29Å; F134-Q166 HydrophobicContact CZ-CB 4.15Å; F134-Q166 HydrophobicContact CZ-CG 3.9Å; Q166-L168 VanDerWaalsContact CD-O 3.31Å; Q166-L168 VanDerWaalsContact CG-O 3.28Å; Q166-L168 WeakPolarHBondContact CG-O 3.46Å; Q166-L168 PolarHBondContact NE2-O 3.42Å
167F95.9Very high94.1Very high6 Ų652.4 Ų52.43%0.02629%0.286CS..  trans-100.3-18.5176.273.9-85000112.2H130 G133 L135 R165 L174 R175 R215H130-F167 WeakPolarHBondContact O-CZ 3.48Å; G133-F167 VanDerWaalsContact O-CD1 3.22Å; G133-F167 WeakPolarHBondContact O-CD1 3.33Å; G133-F167 PolarHBondContact O-N 3.17Å; L135-F167 HydrophobicContact CD1-CB 4.15Å; L135-F167 HydrophobicContact CD2-CB 4.48Å; L135-F167 HydrophobicContact CD2-CD1 3.7Å; L135-F167 HydrophobicContact CD2-CE1 4.14Å; L135-F167 HydrophobicContact CD2-CG 4.13Å; L135-F167 HydrophobicContact CG-CB 4.01Å; L135-F167 HydrophobicContact CG-CD1 3.76Å; L135-F167 HydrophobicContact CG-CG 4.12Å; R165-F167 PolarHBondContact O-N 3.32Å; F167-L174 HydrophobicContact CD2-CD1 3.7Å; F167-R175 WeakPolarHBondContact O-CB 3.3Å; F167-R175 WeakPolarHBondContact O-CG 3.13Å; F167-R175 PolarHBondContact O-N 3Å; F167-R215 HydrophobicContact CE1-CG 4.34Å; F167-R215 HydrophobicContact CE2-CG 4.19Å; F167-R215 HydrophobicContact CZ-CG 4.02Å
168L96.2Very high93.6Very high37 Ų3755.8 Ų55.819%0.19430%0.298CS..BIsolated β-bridgetrans-94.1148.6171.1-58.7-177.8000111.6G133 Q166 E173 R175G133-L168 PolarHBondContact O-N 2.74Å; Q166-L168 VanDerWaalsContact CD-O 3.31Å; Q166-L168 VanDerWaalsContact CG-O 3.28Å; Q166-L168 WeakPolarHBondContact CG-O 3.46Å; Q166-L168 PolarHBondContact NE2-O 3.42Å; L168-E173 CarbonylContact C-O 3.5Å; L168-E173 VanDerWaalsContact CA-O 3.31Å; L168-E173 WeakPolarHBondContact CA-O 3.28Å; L168-R175 PolarHBondContact O-NE 3.15Å; L168-R175 PolarHBondContact O-NH2 3.35Å
169N94.4Very high92.6Very high39 Ų3960.3 Ų60.321%0.20933%0.33CS..  trans-81.9174.4166.975.510.5000110.3K171 G172 E173 R175N169-K171 PolarHBondContact O-N 3.46Å; N169-K171 VanDerWaalsContact O-N 3.1Å; N169-K171 VanDerWaalsContact OD1-CA 3.32Å; N169-K171 WeakPolarHBondContact OD1-CA 3.33Å; N169-K171 VanDerWaalsContact OD1-CB 3.31Å; N169-K171 WeakPolarHBondContact OD1-CB 3.37Å; N169-K171 PolarHBondContact OD1-N 3.23Å; N169-G172 PolarHBondContact O-N 3.39Å; N169-G172 PolarHBondContact OD1-N 3.35Å; N169-G172 VanDerWaalsContact OD1-N 3.16Å; N169-E173 PolarHBondContact N-O 3.18Å; N169-E173 PolarHBondContact ND2-OE2 3.46Å; N169-E173 PolarHBondContact OD1-N 2.93Å; N169-R175 HydrophobicContact CB-CG 4.25Å
170P90.6Very high91.6Very high128 Ų12861.5 Ų61.583%0.83135%0.346SS*.THydrogen-bonded Turntrans-59.3-18.1177.5-26.836.7000115.3G172P170-G172 VanDerWaalsContact C-N 3.34Å
171K94.1Very high91Very high169 Ų16959.2 Ų59.274%0.73534%0.335SS*.THydrogen-bonded Turntrans-86.9-1.9175.2-58.2-178.6176.9-177.60113.2N169 E173N169-K171 PolarHBondContact O-N 3.46Å; N169-K171 VanDerWaalsContact O-N 3.1Å; N169-K171 VanDerWaalsContact OD1-CA 3.32Å; N169-K171 WeakPolarHBondContact OD1-CA 3.33Å; N169-K171 VanDerWaalsContact OD1-CB 3.31Å; N169-K171 WeakPolarHBondContact OD1-CB 3.37Å; N169-K171 PolarHBondContact OD1-N 3.23Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 HydrophobicContact CB-CG 4.11Å
172G92.9Very high90.4Very high47 Ų4760.9 Ų60.949%0.48536%0.355SS..SBendtrans81.311-175.600000114.2N169 P170N169-G172 PolarHBondContact O-N 3.39Å; N169-G172 PolarHBondContact OD1-N 3.35Å; N169-G172 VanDerWaalsContact OD1-N 3.16Å; P170-G172 VanDerWaalsContact C-N 3.34Å
173E94.7Very high90Very high102 Ų10262.6 Ų62.648%0.47736%0.361SS..PPolyproline II helixtrans-91.2146.8179.6-52.8160.2158.500110.5L168 N169 K171 R175L168-E173 CarbonylContact C-O 3.5Å; L168-E173 VanDerWaalsContact CA-O 3.31Å; L168-E173 WeakPolarHBondContact CA-O 3.28Å; N169-E173 PolarHBondContact N-O 3.18Å; N169-E173 PolarHBondContact ND2-OE2 3.46Å; N169-E173 PolarHBondContact OD1-N 2.93Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 HydrophobicContact CB-CG 4.11Å; E173-R175 PolarHBondContact O-N 3.48Å
174L95Very high89.4Confident64 Ų6466.8 Ų66.834%0.33538%0.376SS..BIsolated β-bridgetrans-61.5128.1176.1-176.966.3000110.8F167 Y277F167-L174 HydrophobicContact CD2-CD1 3.7Å; L174-Y277 HydrophobicContact CD1-CE1 3.91Å; L174-Y277 HydrophobicContact CD2-CD1 4.04Å; L174-Y277 HydrophobicContact CD2-CE1 3.88Å; L174-Y277 HydrophobicContact CG-CE1 3.9Å
175R94.5Very high89.1Confident85 Ų8567.5 Ų67.532%0.32138%0.384SS..PPolyproline II helixtrans-69.7145.7174-68.7-179.8179.7-160.7-2.5110.3F167 L168 N169 E173 Y277F167-R175 WeakPolarHBondContact O-CB 3.3Å; F167-R175 WeakPolarHBondContact O-CG 3.13Å; F167-R175 PolarHBondContact O-N 3Å; L168-R175 PolarHBondContact O-NE 3.15Å; L168-R175 PolarHBondContact O-NH2 3.35Å; N169-R175 HydrophobicContact CB-CG 4.25Å; E173-R175 PolarHBondContact O-N 3.48Å; R175-Y277 VanDerWaalsContact O-CE1 3.24Å; R175-Y277 WeakPolarHBondContact O-CE1 3.14Å; R175-Y277 PolarHBondContact O-OH 2.79Å
176S90.8Very high89Confident105 Ų10566.9 Ų66.973%0.73439%0.386SS*.PPolyproline II helixtrans-61.2140.3171.5-52.30000111
177P87.6Confident89Confident55 Ų5566.1 Ų66.136%0.35739%0.385SS..PPolyproline II helixtrans-62.7144.717627.9-34.7000110.1E212 Y277P177-E212 HydrophobicContact CB-CB 3.6Å; P177-E212 HydrophobicContact CB-CG 4.35Å; P177-Y277 HydrophobicContact CB-CD1 4.18Å; P177-Y277 HydrophobicContact CB-CE1 4.07Å; P177-Y277 HydrophobicContact CG-CD1 4.36Å; P177-Y277 HydrophobicContact CG-CE1 4.38Å
178R85.9Confident89Confident86 Ų8669.3 Ų69.333%0.32540%0.397SS..PPolyproline II helixtrans-70.3147.6175.1-71.7174.8-71.7163.83.9110.4R165 A180 E212R165-R178 VanDerWaalsContact CZ-NE 3.35Å; R165-R178 VanDerWaalsContact NH2-CD 3.31Å; R178-A180 PolarHBondContact O-N 3.29Å; R178-E212 IonicContact CZ-OE1 2.62Å; R178-E212 IonicContact CZ-OE2 3.35Å; R178-E212 IonicContact NE-OE1 3.16Å; R178-E212 IonicContact NE-OE2 3.67Å; R178-E212 PolarHBondContact NE-OE2 3.3Å; R178-E212 IonicContact NH2-OE1 3.49Å; R178-E212 PolarHBondContact NH2-OE1 2.71Å; R178-E212 IonicContact NH2-OE2 2.58Å; R178-E212 PolarHBondContact NH2-OE2 3.27Å
179S76.8Confident89.1Confident102 Ų10268.2 Ų68.271%0.71339%0.39SS*.SBendtrans-62.6-23172.355.60000113.5F210S179-F210 WeakPolarHBondContact O-CB 3.49Å; S179-F210 WeakPolarHBondContact O-CD2 3.48Å
180A74.3Confident89.1Confident66 Ų6666.7 Ų66.755%0.54538%0.383SS..  trans-147.5126.7170.200000110.6R178R178-A180 PolarHBondContact O-N 3.29Å
181A79.7Confident89.3Confident9 Ų960.6 Ų60.67%0.07434%0.343CS..  trans-116.8118.8169.900000108.8N197A181-N197 WeakPolarHBondContact O-CB 3.48Å; A181-N197 PolarHBondContact O-ND2 3.09Å; A181-N197 PolarHBondContact O-OD1 2.96Å
182G81.7Confident89.2Confident43 Ų4354.9 Ų54.944%0.44332%0.321SS..  trans-69.8144170.900000110.6R184G182-R184 PolarHBondContact O-N 2.88Å
183F85.4Confident88.9Confident41 Ų4153.5 Ų53.518%0.1830%0.303CS..  trans-50.8133.9172.8175.9-96000111.3G185 V187 A190 A194 K242F183-G185 WeakPolarHBondContact CE1-O 3.3Å; F183-G185 WeakPolarHBondContact CZ-O 3.29Å; F183-V187 HydrophobicContact CE1-CG2 3.88Å; F183-V187 HydrophobicContact CZ-CB 4.46Å; F183-V187 HydrophobicContact CZ-CG2 3.83Å; F183-A190 HydrophobicContact CE2-CB 3.53Å; F183-A190 HydrophobicContact CZ-CB 3.93Å; F183-A194 HydrophobicContact CD2-CB 4.26Å; F183-A194 VanDerWaalsContact CD2-O 3.31Å; F183-A194 WeakPolarHBondContact CD2-O 3.49Å; F183-A194 HydrophobicContact CE2-CB 4.3Å; F183-K242 HydrophobicContact CB-CD 4.35Å; F183-K242 HydrophobicContact CD1-CD 4.22Å; F183-K242 HydrophobicContact CD2-CD 4.34Å; F183-K242 VanDerWaalsContact CD2-CE 3.41Å; F183-K242 HydrophobicContact CG-CD 4.04Å; F183-K242 VanDerWaalsContact CG-CE 3.44Å
184R81.4Confident88.5Confident101 Ų10148.6 Ų48.638%0.38128%0.28SS..  trans-136.1153173.1-63.5-63.2179.5-98.86107.9L163 G182L163-R184 HydrophobicContact CD2-CB 4.44Å; G182-R184 PolarHBondContact O-N 2.88Å
185G88.3Confident88.1Confident22 Ų2246.3 Ų46.323%0.22727%0.268CS..SBendtrans95.1-17117900000113.7D138 F183D138-G185 VanDerWaalsContact OD1-CA 3.24Å; D138-G185 WeakPolarHBondContact OD1-CA 3.24Å; F183-G185 WeakPolarHBondContact CE1-O 3.3Å; F183-G185 WeakPolarHBondContact CZ-O 3.29Å
186T93.2Very high87.2Confident44 Ų4446.9 Ų46.927%0.2727%0.274SS..  trans-93.2118.4-172.1-58.50000111.2D138 K140 R188 Y189 A190D138-T186 WeakPolarHBondContact OD1-CB 3.33Å; D138-T186 PolarHBondContact OD1-N 3.25Å; D138-T186 PolarHBondContact OD1-OG1 3.48Å; K140-T186 HydrophobicContact CD-CG2 4.3Å; K140-T186 WeakPolarHBondContact CD-OG1 3.26Å; K140-T186 PolarHBondContact NZ-OG1 3.33Å; K140-T186 VanDerWaalsContact NZ-OG1 3.07Å; T186-R188 HydrophobicContact CG2-CB 4.42Å; T186-R188 PolarHBondContact O-N 3.19Å; T186-Y189 HydrophobicContact CG2-CD2 3.95Å; T186-Y189 HydrophobicContact CG2-CE2 4.31Å; T186-Y189 PolarHBondContact O-N 2.78Å; T186-A190 PolarHBondContact O-N 2.82Å
187V95.2Very high85.8Confident37 Ų3742.7 Ų42.722%0.22424%0.243CC..THydrogen-bonded Turntrans-44.7-42.3-176.3168.50000113.9F183 Y189 H195 K242 V245 K249F183-V187 HydrophobicContact CE1-CG2 3.88Å; F183-V187 HydrophobicContact CZ-CB 4.46Å; F183-V187 HydrophobicContact CZ-CG2 3.83Å; V187-Y189 PolarHBondContact O-N 3.38Å; V187-H195 PolarHBondContact O-NE2 2.92Å; V187-K242 HydrophobicContact CG2-CB 4.39Å; V187-K242 HydrophobicContact CG2-CG 4.28Å; V187-V245 HydrophobicContact CG1-CB 3.76Å; V187-V245 HydrophobicContact CG1-CG1 3.82Å; V187-V245 HydrophobicContact CG1-CG2 3.69Å; V187-K249 PolarHBondContact O-NZ 3.45Å
188R96.8Very high83.8Confident73 Ų7347.9 Ų47.928%0.27526%0.26SS..THydrogen-bonded Turntrans-60-42.7-177.7-177.3177.8-66.3162.23.2112.9T186 E228 L234 W236 R237 K249T186-R188 HydrophobicContact CG2-CB 4.42Å; T186-R188 PolarHBondContact O-N 3.19Å; R188-E228 IonicContact NH1-OE1 3.06Å; R188-L234 HydrophobicContact CG-CD1 3.71Å; R188-W236 PolarHBondContact O-NE1 2.77Å; R188-R237 PolarHBondContact NH2-O 3.26Å; R188-K249 PolarHBondContact O-NZ 2.96Å
189Y97.5Very high81.6Confident15 Ų1548.2 Ų48.26%0.05927%0.272CS..THydrogen-bonded Turntrans-103.7-10.2-173-50.9-76000113.1K140 P141 T186 V187 S221 Y224 M225 E228 L234K140-Y189 HydrophobicContact CB-CD2 3.45Å; K140-Y189 VanDerWaalsContact CB-CD2 3.45Å; K140-Y189 HydrophobicContact CB-CE2 3.72Å; K140-Y189 HydrophobicContact CB-CG 4.18Å; P141-Y189 HydrophobicContact CG-CE1 4.24Å; T186-Y189 HydrophobicContact CG2-CD2 3.95Å; T186-Y189 HydrophobicContact CG2-CE2 4.31Å; T186-Y189 PolarHBondContact O-N 2.78Å; V187-Y189 PolarHBondContact O-N 3.38Å; Y189-S221 VanDerWaalsContact O-CA 3.3Å; Y189-S221 WeakPolarHBondContact O-CA 3.39Å; Y189-S221 WeakPolarHBondContact O-CB 3.36Å; Y189-S221 PolarHBondContact O-OG 3.12Å; Y189-S221 VanDerWaalsContact O-OG 3.05Å; Y189-Y224 VanDerWaalsContact O-CD2 3.29Å; Y189-Y224 WeakPolarHBondContact O-CD2 3.15Å; Y189-M225 HydrophobicContact CD1-CG 4.02Å; Y189-M225 HydrophobicContact CE1-CG 4.21Å; Y189-E228 PolarHBondContact OH-OE2 3.05Å; Y189-L234 HydrophobicContact CD1-CD1 4.25Å; Y189-L234 HydrophobicContact CE1-CD1 4.11Å
190A95.5Very high79.8Confident6 Ų650 Ų505%0.0527%0.273CS..  trans-60.3141.8178.800000113.3F183 T186 A194 K249F183-A190 HydrophobicContact CE2-CB 3.53Å; F183-A190 HydrophobicContact CZ-CB 3.93Å; T186-A190 PolarHBondContact O-N 2.82Å; A190-A194 HydrophobicContact CB-CB 4.06Å; A190-K249 PolarHBondContact O-NZ 2.85Å
191S94Very high78.2Confident0 Ų050.8 Ų50.80%027%0.274CS..  trans-63.9168.7173.962.50000113.1A194 H195 D217S191-A194 PolarHBondContact O-N 3.23Å; S191-A194 PolarHBondContact OG-N 3.38Å; S191-A194 VanDerWaalsContact OG-N 3.16Å; S191-H195 PolarHBondContact O-CD2 3.04Å; S191-H195 VanDerWaalsContact O-CD2 3.27Å; S191-H195 PolarHBondContact O-N 2.89Å; S191-D217 WeakPolarHBondContact CB-OD1 3.35Å; S191-D217 PolarHBondContact OG-OD1 3.08Å
192L91Very high76.5Confident50 Ų5056.8 Ų56.826%0.26230%0.304SS..Hα-helixtrans-60.5-45.8171-77.3172.8000111.8A194 H195 E196 G246 K249 H250L192-A194 VanDerWaalsContact C-N 3.25Å; L192-A194 PolarHBondContact O-N 3.25Å; L192-H195 WeakPolarHBondContact O-CA 3.33Å; L192-H195 WeakPolarHBondContact O-CB 3.48Å; L192-H195 PolarHBondContact O-N 2.96Å; L192-E196 WeakPolarHBondContact O-CG 3.36Å; L192-E196 PolarHBondContact O-N 2.87Å; L192-G246 WeakPolarHBondContact CD2-O 3.09Å; L192-K249 HydrophobicContact CD2-CB 3.46Å; L192-K249 VanDerWaalsContact CD2-CB 3.46Å; L192-K249 HydrophobicContact CG-CB 4.15Å; L192-H250 HydrophobicContact CD2-CB 4.06Å
193T87.5Confident74.6Confident17 Ų1764.3 Ų64.310%0.10433%0.325CS..Hα-helixtrans-46.5-47171.8-46.30000112.2H195 E196 Q211 D217T193-H195 VanDerWaalsContact C-N 3.32Å; T193-H195 PolarHBondContact O-N 3.41Å; T193-E196 PolarHBondContact O-N 3.18Å; T193-Q211 HydrophobicContact CG2-CB 3.34Å; T193-Q211 HydrophobicContact CG2-CG 4.27Å; T193-Q211 VanDerWaalsContact CG2-OE1 3.25Å; T193-D217 WeakPolarHBondContact CB-OD1 3.46Å; T193-D217 PolarHBondContact OG1-OD1 3.46Å
194A87.4Confident72.6Confident0 Ų065.1 Ų65.10%034%0.336CS..Hα-helixtrans-66.7-32.7178.300000112.5F183 A190 S191 L192 N197 M213F183-A194 HydrophobicContact CD2-CB 4.26Å; F183-A194 VanDerWaalsContact CD2-O 3.31Å; F183-A194 WeakPolarHBondContact CD2-O 3.49Å; F183-A194 HydrophobicContact CE2-CB 4.3Å; A190-A194 HydrophobicContact CB-CB 4.06Å; S191-A194 PolarHBondContact O-N 3.23Å; S191-A194 PolarHBondContact OG-N 3.38Å; S191-A194 VanDerWaalsContact OG-N 3.16Å; L192-A194 VanDerWaalsContact C-N 3.25Å; L192-A194 PolarHBondContact O-N 3.25Å; A194-N197 PolarHBondContact O-ND2 3.49Å; A194-M213 HydrophobicContact CB-CE 4.42Å; A194-M213 HydrophobicContact CB-CG 4.31Å; A194-M213 HydrophobicContact CB-SD 4.22Å
195H86Confident70.6Confident16 Ų1668.8 Ų68.87%0.07436%0.362CS..Hα-helixtrans-69.2-42.3177.3-85-72.4000113V187 S191 L192 T193 N197 K242V187-H195 PolarHBondContact O-NE2 2.92Å; S191-H195 PolarHBondContact O-CD2 3.04Å; S191-H195 VanDerWaalsContact O-CD2 3.27Å; S191-H195 PolarHBondContact O-N 2.89Å; L192-H195 WeakPolarHBondContact O-CA 3.33Å; L192-H195 WeakPolarHBondContact O-CB 3.48Å; L192-H195 PolarHBondContact O-N 2.96Å; T193-H195 VanDerWaalsContact C-N 3.32Å; T193-H195 PolarHBondContact O-N 3.41Å; H195-N197 PolarHBondContact O-N 3.25Å; H195-K242 PolarHBondContact CE1-O 3.46Å; H195-K242 PolarHBondContact ND1-O 3.3Å; H195-K242 VanDerWaalsContact ND1-O 3.16Å; H195-K242 PolarHBondContact O-NZ 3.03Å; H195-K242 VanDerWaalsContact O-NZ 3.07Å
196E75.9Confident68.3Low96 Ų9676.2 Ų76.245%0.44939%0.391SS..THydrogen-bonded Turntrans-68.25.6-168.7-73.8179.5-173.300116.5L192 T193 K198L192-E196 WeakPolarHBondContact O-CG 3.36Å; L192-E196 PolarHBondContact O-N 2.87Å; T193-E196 PolarHBondContact O-N 3.18Å; E196-K198 PolarHBondContact O-N 3.48Å
197N59.9Low65.9Low18 Ų1877.9 Ų77.910%0.09640%0.404CS..THydrogen-bonded Turntrans-56.84.5179.7-76.2-43.9000116.9A181 A194 H195A181-N197 WeakPolarHBondContact O-CB 3.48Å; A181-N197 PolarHBondContact O-ND2 3.09Å; A181-N197 PolarHBondContact O-OD1 2.96Å; A194-N197 PolarHBondContact O-ND2 3.49Å; H195-N197 PolarHBondContact O-N 3.25Å
198K47Very low63.5Low164 Ų16485.7 Ų85.771%0.71344%0.435SS*.THydrogen-bonded Turntrans-143.7-5.5-174.5-86.3-162.6173.5-172.50119.4E196E196-K198 PolarHBondContact O-N 3.48Å
199V39.8Very low61.1Low93 Ų9384.3 Ų84.356%0.56444%0.44SS*.  trans-142109.2-163.4-173.50000115S201V199-S201 PolarHBondContact O-N 3.38Å
200N38.2Very low58.9Low138 Ų13888.3 Ų88.374%0.73846%0.458SS*.  trans41.145.2131.6-52.6-33.1000119.6I202N200-I202 PolarHBondContact O-N 3.4Å
201S40.6Very low57.7Low83 Ų8391.8 Ų91.858%0.5847%0.473SS*.  trans-69.682.3154.8154.40000108.8V199 F203 S204V199-S201 PolarHBondContact O-N 3.38Å; S201-F203 PolarHBondContact O-N 3.26Å; S201-S204 PolarHBondContact OG-N 3.45Å
202I43.5Very low57.3Low136 Ų13692 Ų9270%0.69747%0.474SS*.THydrogen-bonded Turntrans-65.7-9.9171-90.2170.6000112.1N200N200-I202 PolarHBondContact O-N 3.4Å
203F43.2Very low57.4Low201 Ų20190.1 Ų90.188%0.88246%0.464SS*.THydrogen-bonded Turntrans-108.94.9-174-83.6-81.8000115.9S201S201-F203 PolarHBondContact O-N 3.26Å
204S43Very low57.7Low58 Ų5889.4 Ų89.441%0.40646%0.46SS..  trans-120.187.7166.5-177.20000109.8S201 Q206S201-S204 PolarHBondContact OG-N 3.45Å; S204-Q206 PolarHBondContact O-N 3.49Å
205L40Very low58.2Low177 Ų17790.8 Ų90.893%0.92747%0.465SS*.THydrogen-bonded Turntrans-68.113.2178.1-92.8165.1000114
206Q39.6Very low58.7Low179 Ų17990.3 Ų90.384%0.83646%0.463SS*.THydrogen-bonded Turntrans-129.73.1-174.9-155.8145.918.300116.2S204S204-Q206 PolarHBondContact O-N 3.49Å
207S42.4Very low59.7Low78 Ų7885.8 Ų85.855%0.54544%0.442SS..  trans-125.376.5178.8-71.40000112.4A209S207-A209 PolarHBondContact O-N 3.06Å
208F44.6Very low61.5Low201 Ų20185 Ų8588%0.88244%0.437SS*.  trans-69.50.4164.7-103.1-88.1000113.4F210F208-F210 PolarHBondContact O-N 2.94Å
209A46.1Very low64Low45 Ų4577.1 Ų77.137%0.37240%0.403SS..SBendtrans-80.696.3169.600000108.8S207 Q211S207-A209 PolarHBondContact O-N 3.06Å; A209-Q211 PolarHBondContact O-N 3.33Å
210F52.2Low66.8Low99 Ų9974 Ų7443%0.43438%0.381SS..  trans-47.4119.6155.6-76.8-90.4000107.3S179 F208 E212S179-F210 WeakPolarHBondContact O-CB 3.49Å; S179-F210 WeakPolarHBondContact O-CD2 3.48Å; F208-F210 PolarHBondContact O-N 2.94Å; F210-E212 PolarHBondContact O-N 3.15Å
211Q69Low69.7Low79 Ų7967.6 Ų67.637%0.36935%0.347SS..  trans-72.1102-157.4-64.7179.7-18.700110.8T193 A209 M213T193-Q211 HydrophobicContact CG2-CB 3.34Å; T193-Q211 HydrophobicContact CG2-CG 4.27Å; T193-Q211 VanDerWaalsContact CG2-OE1 3.25Å; A209-Q211 PolarHBondContact O-N 3.33Å; Q211-M213 PolarHBondContact O-N 2.64Å
212E86.7Confident72.4Confident3 Ų363.6 Ų63.61%0.01432%0.32CS..  trans-56.9135167.3178.275.4-88.300108.7R165 P177 R178 F210 G214 Y277R165-E212 IonicContact CZ-OE2 3.54Å; R165-E212 IonicContact NE-OE1 3.6Å; R165-E212 IonicContact NE-OE2 2.91Å; R165-E212 PolarHBondContact NE-OE2 3.05Å; R165-E212 IonicContact NH2-OE2 3.15Å; R165-E212 PolarHBondContact NH2-OE2 2.96Å; R165-E212 VanDerWaalsContact NH2-OE2 3.15Å; P177-E212 HydrophobicContact CB-CB 3.6Å; P177-E212 HydrophobicContact CB-CG 4.35Å; R178-E212 IonicContact CZ-OE1 2.62Å; R178-E212 IonicContact CZ-OE2 3.35Å; R178-E212 IonicContact NE-OE1 3.16Å; R178-E212 IonicContact NE-OE2 3.67Å; R178-E212 PolarHBondContact NE-OE2 3.3Å; R178-E212 IonicContact NH2-OE1 3.49Å; R178-E212 PolarHBondContact NH2-OE1 2.71Å; R178-E212 IonicContact NH2-OE2 2.58Å; R178-E212 PolarHBondContact NH2-OE2 3.27Å; F210-E212 PolarHBondContact O-N 3.15Å; E212-G214 PolarHBondContact O-N 3.03Å; E212-Y277 HydrophobicContact CB-CD2 4.07Å; E212-Y277 HydrophobicContact CB-CE2 3.94Å; E212-Y277 HydrophobicContact CG-CD2 3.99Å; E212-Y277 HydrophobicContact CG-CE2 3.38Å; E212-Y277 VanDerWaalsContact O-CD2 3.31Å; E212-Y277 WeakPolarHBondContact O-CD2 3.39Å
213M92.3Very high75.1Confident12 Ų1257.1 Ų57.16%0.05929%0.286CS..  trans-63.3133.2176.9-66.417272.300109.8L135 R137 A194 Q211 D217 Y277L135-M213 WeakPolarHBondContact CD1-O 3.45Å; R137-M213 HydrophobicContact CB-CE 3.68Å; R137-M213 HydrophobicContact CB-SD 4.03Å; R137-M213 HydrophobicContact CG-CE 3.92Å; R137-M213 HydrophobicContact CG-SD 4.09Å; A194-M213 HydrophobicContact CB-CE 4.42Å; A194-M213 HydrophobicContact CB-CG 4.31Å; A194-M213 HydrophobicContact CB-SD 4.22Å; Q211-M213 PolarHBondContact O-N 2.64Å; M213-D217 VanDerWaalsContact C-OD2 3.32Å; M213-D217 WeakPolarHBondContact CA-OD2 3.42Å; M213-D217 HydrophobicContact CB-CB 4.25Å; M213-D217 WeakPolarHBondContact CB-OD2 3.47Å; M213-D217 HydrophobicContact CE-CB 3.91Å; M213-D217 HydrophobicContact CG-CB 4.43Å; M213-Y277 WeakPolarHBondContact O-CE2 3.48Å
214G94.5Very high77.7Confident2 Ų247.9 Ų47.92%0.02125%0.246CC..  trans-110.9-170.8172.600000112.4E212 H216 D217E212-G214 PolarHBondContact O-N 3.03Å; G214-H216 PolarHBondContact O-N 3.02Å; G214-D217 PolarHBondContact N-OD2 3.05Å; G214-D217 PolarHBondContact O-N 3.43Å
215R97.8Very high80.3Confident28 Ų2845.1 Ų45.111%0.10623%0.227CC..Hα-helixtrans-61.4-33179.2-68169.7-79-165.8-3.7112.6H130 L135 F167 D217 D218 G278 D279 T280 P281H130-R215 HydrophobicContact CB-CG 4.44Å; H130-R215 PolarHBondContact CE1-O 3.02Å; L135-R215 HydrophobicContact CD2-CB 4.29Å; L135-R215 HydrophobicContact CD2-CG 3.69Å; F167-R215 HydrophobicContact CE1-CG 4.34Å; F167-R215 HydrophobicContact CE2-CG 4.19Å; F167-R215 HydrophobicContact CZ-CG 4.02Å; R215-D217 PolarHBondContact O-N 3.43Å; R215-D218 PolarHBondContact O-N 2.86Å; R215-G278 PolarHBondContact NH2-O 3.49Å; R215-D279 VanDerWaalsContact CZ-O 3.24Å; R215-D279 PolarHBondContact NE-O 3.18Å; R215-D279 PolarHBondContact NH2-O 2.98Å; R215-T280 VanDerWaalsContact CZ-CA 3.49Å; R215-T280 VanDerWaalsContact CZ-OG1 3.3Å; R215-T280 PolarHBondContact NH1-OG1 2.61Å; R215-T280 PolarHBondContact NH2-OG1 2.66Å; R215-T280 VanDerWaalsContact NH2-OG1 3.12Å; R215-P281 HydrophobicContact CB-CG 3.71Å
216H96.9Very high83.1Confident7 Ų736.8 Ų36.83%0.03218%0.183CC..Hα-helixtrans-64.5-26.5179.165.4-85.5000112.8G214 L219 W220 L275 G276G214-H216 PolarHBondContact O-N 3.02Å; H216-L219 CarbonylContact O-C 3.58Å; H216-L219 PolarHBondContact O-N 2.84Å; H216-W220 AromaticContact CD2-CD1 3.99Å; H216-W220 PolarHBondContact O-N 3.02Å; H216-L275 HydrophobicContact CB-CB 3.66Å; H216-L275 HydrophobicContact CB-CD1 4.02Å; H216-G276 PolarHBondContact CE1-O 3.07Å; H216-G276 VanDerWaalsContact ND1-C 3.33Å; H216-G276 PolarHBondContact ND1-O 3.1Å
217D96.7Very high85.9Confident0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-73.3-35.1-178.6-63.2-63.7000113.4S191 T193 M213 G214 R215 L219 W220 S221S191-D217 WeakPolarHBondContact CB-OD1 3.35Å; S191-D217 PolarHBondContact OG-OD1 3.08Å; T193-D217 WeakPolarHBondContact CB-OD1 3.46Å; T193-D217 PolarHBondContact OG1-OD1 3.46Å; M213-D217 VanDerWaalsContact C-OD2 3.32Å; M213-D217 WeakPolarHBondContact CA-OD2 3.42Å; M213-D217 HydrophobicContact CB-CB 4.25Å; M213-D217 WeakPolarHBondContact CB-OD2 3.47Å; M213-D217 HydrophobicContact CE-CB 3.91Å; M213-D217 HydrophobicContact CG-CB 4.43Å; G214-D217 PolarHBondContact N-OD2 3.05Å; G214-D217 PolarHBondContact O-N 3.43Å; R215-D217 PolarHBondContact O-N 3.43Å; D217-L219 VanDerWaalsContact C-N 3.26Å; D217-W220 PolarHBondContact O-N 3.42Å; D217-S221 PolarHBondContact O-N 3.21Å; D217-S221 VanDerWaalsContact O-N 3.12Å; D217-S221 PolarHBondContact O-OG 3.16Å
218D98.5Very high88.6Confident1 Ų124.7 Ų24.71%0.00512%0.118CC..Hα-helixtrans-65.6-35.1171.1-78.3-21.4000110.5I126 H130 H136 R137 I139 R215 S221 L222I126-D218 HydrophobicContact CG2-CB 4.17Å; H130-D218 IonicContact NE2-OD2 2.86Å; H130-D218 PolarHBondContact NE2-OD2 2.93Å; H136-D218 PolarHBondContact N-OD2 2.97Å; R137-D218 VanDerWaalsContact CA-OD1 3.24Å; R137-D218 WeakPolarHBondContact CA-OD1 3Å; R137-D218 PolarHBondContact N-OD1 3.02Å; R137-D218 PolarHBondContact N-OD2 3.36Å; I139-D218 HydrophobicContact CG1-CB 3.82Å; R215-D218 PolarHBondContact O-N 2.86Å; D218-S221 WeakPolarHBondContact O-CB 3.3Å; D218-S221 PolarHBondContact O-N 3.36Å; D218-L222 PolarHBondContact O-N 3.36Å; D218-L222 VanDerWaalsContact O-N 3.09Å
219L98.8Very high91.2Very high0 Ų015.1 Ų15.10%08%0.076CC..Hα-helixtrans-75-33.6176.7-63.6170.4000113.2L123 I126 H216 D217 S221 L222 F223 L272 P281 Y283 L286L123-L219 HydrophobicContact CD1-CD2 3.51Å; I126-L219 HydrophobicContact CG2-CD2 3.82Å; I126-L219 HydrophobicContact CG2-CG 4.34Å; H216-L219 CarbonylContact O-C 3.58Å; H216-L219 PolarHBondContact O-N 2.84Å; D217-L219 VanDerWaalsContact C-N 3.26Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 3.23Å; L219-L222 WeakPolarHBondContact O-CB 3.48Å; L219-L222 PolarHBondContact O-N 3.04Å; L219-F223 PolarHBondContact O-N 3.43Å; L219-L272 HydrophobicContact CB-CD1 4.34Å; L219-L272 HydrophobicContact CB-CD2 3.67Å; L219-L272 HydrophobicContact CD1-CD2 4.16Å; L219-P281 HydrophobicContact CD1-CB 3.4Å; L219-P281 HydrophobicContact CD1-CG 3.47Å; L219-P281 VanDerWaalsContact CD1-CG 3.47Å; L219-Y283 HydrophobicContact CD1-CE1 4.27Å; L219-Y283 HydrophobicContact CD2-CE1 4.46Å; L219-L286 HydrophobicContact CD1-CD1 3.73Å; L219-L286 HydrophobicContact CD2-CD1 4.11Å; L219-L286 HydrophobicContact CG-CD1 4.42Å
220W98.1Very high93.6Very high26 Ų2614 Ų1410%0.0986%0.064CC..Hα-helixtrans-60.8-41.3169.1-87116.1000111.6H216 D217 L222 F223 Y224 T254 L272 E273H216-W220 AromaticContact CD2-CD1 3.99Å; H216-W220 PolarHBondContact O-N 3.02Å; D217-W220 PolarHBondContact O-N 3.42Å; W220-L222 VanDerWaalsContact C-N 3.33Å; W220-L222 PolarHBondContact O-N 3.02Å; W220-F223 HydrophobicContact CE3-CB 4.45Å; W220-F223 AromaticContact CE3-CD1 3.98Å; W220-F223 HydrophobicContact CE3-CD1 3.98Å; W220-F223 HydrophobicContact CE3-CG 4.45Å; W220-F223 AromaticContact CZ3-CD1 3.91Å; W220-F223 HydrophobicContact CZ3-CD1 3.91Å; W220-F223 HydrophobicContact CZ3-CE1 4.22Å; W220-F223 HydrophobicContact CZ3-CG 4.48Å; W220-F223 WeakPolarHBondContact O-CB 3.37Å; W220-F223 PolarHBondContact O-N 3.36Å; W220-Y224 HydrophobicContact CB-CE2 4.43Å; W220-Y224 WeakPolarHBondContact O-CD2 3.45Å; W220-Y224 PolarHBondContact O-N 3.29Å; W220-T254 HydrophobicContact CH2-CG2 3.57Å; W220-T254 HydrophobicContact CZ3-CG2 3.68Å; W220-L272 HydrophobicContact CD2-CB 4.07Å; W220-L272 HydrophobicContact CD2-CD1 3.75Å; W220-L272 HydrophobicContact CE3-CD1 3.86Å; W220-L272 HydrophobicContact CG-CD1 4.09Å; W220-L272 HydrophobicContact CH2-CB 4.08Å; W220-L272 HydrophobicContact CZ2-CB 3.55Å; W220-L272 HydrophobicContact CZ3-CD1 4.31Å; W220-E273 HydrophobicContact CH2-CG 3.8Å; W220-E273 HydrophobicContact CZ2-CG 3.82Å
221S98.5Very high95.7Very high4 Ų414.8 Ų14.83%0.0287%0.068CC..Hα-helixtrans-61.2-43.3175-56.60000111.4I139 Y189 D217 D218 L219 Y224 M225I139-S221 WeakPolarHBondContact O-CB 3.32Å; Y189-S221 VanDerWaalsContact O-CA 3.3Å; Y189-S221 WeakPolarHBondContact O-CA 3.39Å; Y189-S221 WeakPolarHBondContact O-CB 3.36Å; Y189-S221 PolarHBondContact O-OG 3.12Å; Y189-S221 VanDerWaalsContact O-OG 3.05Å; D217-S221 PolarHBondContact O-N 3.21Å; D217-S221 VanDerWaalsContact O-N 3.12Å; D217-S221 PolarHBondContact O-OG 3.16Å; D218-S221 WeakPolarHBondContact O-CB 3.3Å; D218-S221 PolarHBondContact O-N 3.36Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 3.23Å; S221-Y224 PolarHBondContact O-N 3.35Å; S221-M225 WeakPolarHBondContact O-CG 3.39Å; S221-M225 PolarHBondContact O-N 3.45Å
222L98.8Very high97Very high0 Ų011.4 Ų11.40%06%0.055CC..Hα-helixtrans-60.3-44.8171.8170.858.5000111.8A119 V122 L123 I126 D218 L219 W220 Y224 M225 I226 F268A119-L222 HydrophobicContact CB-CD1 4.46Å; V122-L222 HydrophobicContact CB-CD1 4.03Å; V122-L222 HydrophobicContact CG1-CD1 3.68Å; V122-L222 HydrophobicContact CG1-CD2 4.5Å; L123-L222 HydrophobicContact CB-CD2 3.78Å; L123-L222 HydrophobicContact CD1-CD2 3.98Å; L123-L222 HydrophobicContact CG-CD2 4.45Å; I126-L222 HydrophobicContact CD1-CB 3.88Å; I126-L222 HydrophobicContact CD1-CD2 4.07Å; D218-L222 PolarHBondContact O-N 3.36Å; D218-L222 VanDerWaalsContact O-N 3.09Å; L219-L222 WeakPolarHBondContact O-CB 3.48Å; L219-L222 PolarHBondContact O-N 3.04Å; W220-L222 VanDerWaalsContact C-N 3.33Å; W220-L222 PolarHBondContact O-N 3.02Å; L222-Y224 VanDerWaalsContact C-N 3.33Å; L222-Y224 PolarHBondContact O-N 3Å; L222-M225 CarbonylContact O-C 3.53Å; L222-M225 WeakPolarHBondContact O-CA 3.44Å; L222-M225 VanDerWaalsContact O-CB 3.31Å; L222-M225 WeakPolarHBondContact O-CB 3.43Å; L222-M225 PolarHBondContact O-N 3.02Å; L222-I226 HydrophobicContact CD1-CD1 3.94Å; L222-I226 HydrophobicContact CD1-CG1 3.91Å; L222-I226 HydrophobicContact CG-CD1 3.9Å; L222-I226 HydrophobicContact CG-CG1 4.36Å; L222-I226 WeakPolarHBondContact O-CG1 3.1Å; L222-I226 PolarHBondContact O-N 3.26Å; L222-F268 HydrophobicContact CD2-CZ 4.25Å
223F98.7Very high97.4Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-56.2-47.4176.9172.4-99.1000111.8L219 W220 M225 I226 V227 T254 L257 T258 L265 F268 L272L219-F223 PolarHBondContact O-N 3.43Å; W220-F223 HydrophobicContact CE3-CB 4.45Å; W220-F223 AromaticContact CE3-CD1 3.98Å; W220-F223 HydrophobicContact CE3-CD1 3.98Å; W220-F223 HydrophobicContact CE3-CG 4.45Å; W220-F223 AromaticContact CZ3-CD1 3.91Å; W220-F223 HydrophobicContact CZ3-CD1 3.91Å; W220-F223 HydrophobicContact CZ3-CE1 4.22Å; W220-F223 HydrophobicContact CZ3-CG 4.48Å; W220-F223 WeakPolarHBondContact O-CB 3.37Å; W220-F223 PolarHBondContact O-N 3.36Å; F223-M225 VanDerWaalsContact C-N 3.3Å; F223-M225 PolarHBondContact O-N 3.49Å; F223-I226 PolarHBondContact O-N 3.3Å; F223-V227 HydrophobicContact CE1-CG2 4.08Å; F223-V227 HydrophobicContact CE2-CG2 4.26Å; F223-V227 HydrophobicContact CZ-CG2 3.95Å; F223-V227 WeakPolarHBondContact O-CG2 3.39Å; F223-V227 PolarHBondContact O-N 3.37Å; F223-T254 HydrophobicContact CE1-CG2 4.45Å; F223-L257 HydrophobicContact CE1-CB 4.48Å; F223-L257 HydrophobicContact CE1-CD1 4.1Å; F223-T258 HydrophobicContact CE2-CG2 3.9Å; F223-T258 HydrophobicContact CZ-CG2 3.7Å; F223-L265 HydrophobicContact CE2-CB 4.43Å; F223-F268 HydrophobicContact CB-CD1 4.45Å; F223-F268 HydrophobicContact CB-CE1 4.31Å; F223-F268 HydrophobicContact CD2-CD1 4.16Å; F223-L272 HydrophobicContact CB-CD1 4.03Å
224Y98.5Very high97.6Very high7 Ų713 Ų133%0.0277%0.068CC..Hα-helixtrans-65.1-32.8175.5-59.8-46.4000113Y189 W220 S221 L222 E228 L234 W236 L257Y189-Y224 VanDerWaalsContact O-CD2 3.29Å; Y189-Y224 WeakPolarHBondContact O-CD2 3.15Å; W220-Y224 HydrophobicContact CB-CE2 4.43Å; W220-Y224 WeakPolarHBondContact O-CD2 3.45Å; W220-Y224 PolarHBondContact O-N 3.29Å; S221-Y224 PolarHBondContact O-N 3.35Å; L222-Y224 VanDerWaalsContact C-N 3.33Å; L222-Y224 PolarHBondContact O-N 3Å; Y224-E228 WeakPolarHBondContact O-CB 3.45Å; Y224-E228 PolarHBondContact O-N 2.99Å; Y224-L234 HydrophobicContact CD1-CD2 4.48Å; Y224-W236 HydrophobicContact CD1-CH2 4.06Å; Y224-W236 AromaticContact CD1-CZ2 3.87Å; Y224-W236 HydrophobicContact CD1-CZ2 3.87Å; Y224-W236 AromaticContact CE1-CH2 3.83Å; Y224-W236 HydrophobicContact CE1-CH2 3.83Å; Y224-W236 AromaticContact CE1-CZ2 3.95Å; Y224-W236 HydrophobicContact CE1-CZ2 3.95Å; Y224-W236 HydrophobicContact CG-CZ2 4.3Å; Y224-L257 HydrophobicContact CD1-CD1 4.24Å; Y224-L257 HydrophobicContact CE1-CD1 3.87Å
225M98.7Very high97.7Very high0 Ų016.3 Ų16.30%09%0.089CC..Hα-helixtrans-62.5-45.5171.4-72.9173.149.800111.4V122 I139 K140 P141 F144 Y189 S221 L222 F223 V227 E228 F229V122-M225 HydrophobicContact CG1-CE 4.26Å; V122-M225 HydrophobicContact CG2-CE 4.34Å; I139-M225 HydrophobicContact CG2-SD 3.59Å; I139-M225 VanDerWaalsContact CG2-SD 3.59Å; K140-M225 VanDerWaalsContact CA-SD 3.58Å; P141-M225 HydrophobicContact CG-CE 4.3Å; P141-M225 HydrophobicContact CG-CG 3.96Å; P141-M225 HydrophobicContact CG-SD 4.48Å; F144-M225 HydrophobicContact CD2-CE 3.87Å; F144-M225 HydrophobicContact CE2-CE 4.04Å; F144-M225 HydrophobicContact CE2-SD 4.28Å; Y189-M225 HydrophobicContact CD1-CG 4.02Å; Y189-M225 HydrophobicContact CE1-CG 4.21Å; S221-M225 WeakPolarHBondContact O-CG 3.39Å; S221-M225 PolarHBondContact O-N 3.45Å; L222-M225 CarbonylContact O-C 3.53Å; L222-M225 WeakPolarHBondContact O-CA 3.44Å; L222-M225 VanDerWaalsContact O-CB 3.31Å; L222-M225 WeakPolarHBondContact O-CB 3.43Å; L222-M225 PolarHBondContact O-N 3.02Å; F223-M225 VanDerWaalsContact C-N 3.3Å; F223-M225 PolarHBondContact O-N 3.49Å; M225-V227 PolarHBondContact O-N 3.36Å; M225-E228 CarbonylContact O-C 3.36Å; M225-E228 PolarHBondContact O-N 3.24Å; M225-F229 HydrophobicContact CB-CE2 4.49Å; M225-F229 HydrophobicContact CB-CZ 4.38Å; M225-F229 HydrophobicContact CE-CE2 4.16Å; M225-F229 HydrophobicContact CE-CZ 3.79Å; M225-F229 WeakPolarHBondContact O-CB 3.45Å; M225-F229 VanDerWaalsContact O-CD1 3.25Å; M225-F229 WeakPolarHBondContact O-CD1 3.25Å; M225-F229 WeakPolarHBondContact O-CG 3.31Å; M225-F229 PolarHBondContact O-N 3.03Å
226I98.7Very high97.7Very high2 Ų215.1 Ų15.11%0.018%0.084CC..Hα-helixtrans-61.3-46.8178.9-62.7162.1000110.4A119 L222 F223 E228 F229 L230 L265 F268 L290A119-I226 HydrophobicContact CB-CD1 3.89Å; A119-I226 HydrophobicContact CB-CG1 3.62Å; L222-I226 HydrophobicContact CD1-CD1 3.94Å; L222-I226 HydrophobicContact CD1-CG1 3.91Å; L222-I226 HydrophobicContact CG-CD1 3.9Å; L222-I226 HydrophobicContact CG-CG1 4.36Å; L222-I226 WeakPolarHBondContact O-CG1 3.1Å; L222-I226 PolarHBondContact O-N 3.26Å; F223-I226 PolarHBondContact O-N 3.3Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.18Å; I226-F229 PolarHBondContact O-N 3.29Å; I226-L230 HydrophobicContact CG2-CD1 3.99Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 2.86Å; I226-L265 HydrophobicContact CG2-CD1 3.88Å; I226-L265 HydrophobicContact CG2-CD2 3.81Å; I226-F268 HydrophobicContact CD1-CE2 4.48Å; I226-F268 HydrophobicContact CD1-CZ 4.47Å; I226-L290 HydrophobicContact CD1-CD2 4.09Å
227V98.3Very high97.6Very high2 Ų219.7 Ų19.71%0.01210%0.101CC..Hα-helixtrans-57.9-47.9175.5173.70000110.3F223 M225 F229 L230 H231 L234 L257 L261F223-V227 HydrophobicContact CE1-CG2 4.08Å; F223-V227 HydrophobicContact CE2-CG2 4.26Å; F223-V227 HydrophobicContact CZ-CG2 3.95Å; F223-V227 WeakPolarHBondContact O-CG2 3.39Å; F223-V227 PolarHBondContact O-N 3.37Å; M225-V227 PolarHBondContact O-N 3.36Å; V227-F229 VanDerWaalsContact C-N 3.33Å; V227-F229 PolarHBondContact O-N 3.05Å; V227-L230 PolarHBondContact O-N 3.35Å; V227-H231 WeakPolarHBondContact O-CB 3.35Å; V227-H231 PolarHBondContact O-N 3.24Å; V227-L234 HydrophobicContact CB-CD2 4.17Å; V227-L234 HydrophobicContact CG1-CD2 3.87Å; V227-L257 HydrophobicContact CG2-CB 4.47Å; V227-L261 HydrophobicContact CB-CD1 4.35Å; V227-L261 HydrophobicContact CG1-CD1 4.19Å; V227-L261 HydrophobicContact CG2-CD1 4.11Å
228E98.1Very high97.5Very high0 Ų028.9 Ų28.90%014%0.141CC..Hα-helixtrans-65.9-33.8178.5-160.5-176.7-13400112.9R102 R188 Y189 Y224 M225 I226 G232 L234R102-E228 IonicContact CZ-OE2 3.12Å; R102-E228 IonicContact NE-OE2 2.86Å; R102-E228 IonicContact NH2-OE1 2.81Å; R102-E228 PolarHBondContact NH2-OE1 3.39Å; R102-E228 IonicContact NH2-OE2 3.22Å; R102-E228 PolarHBondContact NH2-OE2 3.04Å; R188-E228 IonicContact NH1-OE1 3.06Å; Y189-E228 PolarHBondContact OH-OE2 3.05Å; Y224-E228 WeakPolarHBondContact O-CB 3.45Å; Y224-E228 PolarHBondContact O-N 2.99Å; M225-E228 CarbonylContact O-C 3.36Å; M225-E228 PolarHBondContact O-N 3.24Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.18Å; E228-G232 CarbonylContact O-C 3.33Å; E228-G232 WeakPolarHBondContact O-CA 3.42Å; E228-G232 PolarHBondContact O-N 2.87Å; E228-L234 HydrophobicContact CB-CD1 4.36Å; E228-L234 HydrophobicContact CB-CG 4.08Å; E228-L234 HydrophobicContact CG-CG 4.34Å
229F98.5Very high97.3Very high0 Ų031.1 Ų31.10%015%0.154CC..Hα-helixtrans-64.8-47.1177.1-73.2-4.4000111.2L98 C109 F110 L118 P141 M225 I226 V227L98-F229 HydrophobicContact CB-CZ 4.12Å; L98-F229 HydrophobicContact CD1-CE2 4.26Å; L98-F229 HydrophobicContact CD1-CZ 3.95Å; C109-F229 CarbonylContact C-O 3.57Å; C109-F229 WeakPolarHBondContact CA-O 3.32Å; C109-F229 WeakPolarHBondContact CB-O 3.2Å; F110-F229 HydrophobicContact CD2-CB 3.96Å; F110-F229 HydrophobicContact CD2-CD1 4Å; F110-F229 HydrophobicContact CD2-CD2 4.21Å; F110-F229 AromaticContact CD2-CG 3.8Å; F110-F229 HydrophobicContact CD2-CG 3.8Å; F110-F229 HydrophobicContact CE2-CD1 4.02Å; F110-F229 HydrophobicContact CE2-CD2 4.48Å; F110-F229 HydrophobicContact CE2-CE1 4.1Å; F110-F229 HydrophobicContact CE2-CG 4.2Å; F110-F229 HydrophobicContact CE2-CZ 4.39Å; F110-F229 PolarHBondContact N-O 3.33Å; L118-F229 HydrophobicContact CB-CE2 4.36Å; L118-F229 HydrophobicContact CD1-CE2 4.48Å; P141-F229 HydrophobicContact CB-CE1 3.87Å; P141-F229 HydrophobicContact CB-CZ 4.15Å; P141-F229 HydrophobicContact CG-CE1 3.64Å; P141-F229 HydrophobicContact CG-CZ 4.09Å; M225-F229 HydrophobicContact CB-CE2 4.49Å; M225-F229 HydrophobicContact CB-CZ 4.38Å; M225-F229 HydrophobicContact CE-CE2 4.16Å; M225-F229 HydrophobicContact CE-CZ 3.79Å; M225-F229 WeakPolarHBondContact O-CB 3.45Å; M225-F229 VanDerWaalsContact O-CD1 3.25Å; M225-F229 WeakPolarHBondContact O-CD1 3.25Å; M225-F229 WeakPolarHBondContact O-CG 3.31Å; M225-F229 PolarHBondContact O-N 3.03Å; I226-F229 PolarHBondContact O-N 3.29Å; V227-F229 VanDerWaalsContact C-N 3.33Å; V227-F229 PolarHBondContact O-N 3.05Å
230L98Very high96.9Very high23 Ų2340.7 Ų40.712%0.1220%0.196CC..Hα-helixtrans-83.8-38.7-174.4-59.6-177.9000112.8I112 I226 V227 L261 L265I112-L230 HydrophobicContact CG1-CD2 4.41Å; I226-L230 HydrophobicContact CG2-CD1 3.99Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 2.86Å; V227-L230 PolarHBondContact O-N 3.35Å; L230-L261 HydrophobicContact CB-CD2 3.84Å; L230-L265 HydrophobicContact CD1-CD1 4.09Å
231H96.2Very high96.7Very high114 Ų11443.7 Ų43.753%0.52821%0.214SC..Hα-helixtrans-90-22.2-178.2-170.1-102.6000113V227 S233 L261V227-H231 WeakPolarHBondContact O-CB 3.35Å; V227-H231 PolarHBondContact O-N 3.24Å; H231-S233 VanDerWaalsContact C-N 3.32Å; H231-S233 PolarHBondContact ND1-O 3.01Å; H231-S233 VanDerWaalsContact ND1-O 3.14Å; H231-S233 PolarHBondContact O-N 3.37Å; H231-L261 HydrophobicContact CB-CD2 4.38Å
232G96Very high96.3Very high9 Ų945.9 Ų45.99%0.09322%0.223CC..SBendtrans89.8-20.4-179.700000115.1R102 Q108 E228R102-G232 PolarHBondContact NH1-O 3.01Å; Q108-G232 WeakPolarHBondContact O-CA 3.49Å; E228-G232 CarbonylContact O-C 3.33Å; E228-G232 WeakPolarHBondContact O-CA 3.42Å; E228-G232 PolarHBondContact O-N 2.87Å
233S95.3Very high95.9Very high46 Ų4651.4 Ų51.432%0.32225%0.249SC..  trans-152.4152.9177.167.30000113.3H231H231-S233 VanDerWaalsContact C-N 3.32Å; H231-S233 PolarHBondContact ND1-O 3.01Å; H231-S233 VanDerWaalsContact ND1-O 3.14Å; H231-S233 PolarHBondContact O-N 3.37Å
234L96.7Very high95.7Very high3 Ų354.4 Ų54.42%0.01626%0.263CS..  trans-95.2147.3166.5-68.9165000110.3R188 Y189 Y224 V227 E228 W236 R237R188-L234 HydrophobicContact CG-CD1 3.71Å; Y189-L234 HydrophobicContact CD1-CD1 4.25Å; Y189-L234 HydrophobicContact CE1-CD1 4.11Å; Y224-L234 HydrophobicContact CD1-CD2 4.48Å; V227-L234 HydrophobicContact CB-CD2 4.17Å; V227-L234 HydrophobicContact CG1-CD2 3.87Å; E228-L234 HydrophobicContact CB-CD1 4.36Å; E228-L234 HydrophobicContact CB-CG 4.08Å; E228-L234 HydrophobicContact CG-CG 4.34Å; L234-W236 HydrophobicContact CB-CD2 4.49Å; L234-W236 HydrophobicContact CB-CZ2 4.31Å; L234-W236 HydrophobicContact CD1-CZ2 4.24Å; L234-W236 HydrophobicContact CD2-CH2 4.48Å; L234-W236 HydrophobicContact CD2-CZ2 4Å; L234-W236 HydrophobicContact CG-CZ2 4.41Å; L234-W236 PolarHBondContact O-N 3.2Å; L234-W236 VanDerWaalsContact O-N 3.14Å; L234-R237 WeakPolarHBondContact O-CB 3.14Å; L234-R237 PolarHBondContact O-N 3.01Å
235P96.3Very high95.5Very high71 Ų7154 Ų5446%0.46126%0.261SS..THydrogen-bonded Turntrans-55.3-35.5-177.6-29.838.1000114R237 L252 L257P235-R237 PolarHBondContact O-N 3.23Å; P235-L252 HydrophobicContact CB-CD1 3.46Å; P235-L252 VanDerWaalsContact CB-CD1 3.46Å; P235-L252 HydrophobicContact CG-CD1 3.81Å; P235-L257 HydrophobicContact CG-CD2 3.73Å
236W96.7Very high95.2Very high2 Ų254.5 Ų54.51%0.00827%0.266CS..THydrogen-bonded Turntrans-89.414.4178.352.781.5000114.3R188 Y224 L234 K238 V239 V245 L248 K249 L252 L257R188-W236 PolarHBondContact O-NE1 2.77Å; Y224-W236 HydrophobicContact CD1-CH2 4.06Å; Y224-W236 AromaticContact CD1-CZ2 3.87Å; Y224-W236 HydrophobicContact CD1-CZ2 3.87Å; Y224-W236 AromaticContact CE1-CH2 3.83Å; Y224-W236 HydrophobicContact CE1-CH2 3.83Å; Y224-W236 AromaticContact CE1-CZ2 3.95Å; Y224-W236 HydrophobicContact CE1-CZ2 3.95Å; Y224-W236 HydrophobicContact CG-CZ2 4.3Å; L234-W236 HydrophobicContact CB-CD2 4.49Å; L234-W236 HydrophobicContact CB-CZ2 4.31Å; L234-W236 HydrophobicContact CD1-CZ2 4.24Å; L234-W236 HydrophobicContact CD2-CH2 4.48Å; L234-W236 HydrophobicContact CD2-CZ2 4Å; L234-W236 HydrophobicContact CG-CZ2 4.41Å; L234-W236 PolarHBondContact O-N 3.2Å; L234-W236 VanDerWaalsContact O-N 3.14Å; W236-K238 PolarHBondContact O-N 3.5Å; W236-K238 VanDerWaalsContact O-N 3.07Å; W236-V239 PolarHBondContact O-N 3.04Å; W236-V245 HydrophobicContact CB-CG1 4.26Å; W236-V245 HydrophobicContact CB-CG2 4.23Å; W236-V245 HydrophobicContact CG-CG1 3.9Å; W236-L248 HydrophobicContact CB-CD1 3.94Å; W236-L248 HydrophobicContact CE3-CB 4.38Å; W236-K249 HydrophobicContact CD2-CG 4Å; W236-K249 HydrophobicContact CE3-CG 3.8Å; W236-K249 HydrophobicContact CH2-CD 4.43Å; W236-K249 HydrophobicContact CH2-CG 3.56Å; W236-K249 HydrophobicContact CZ2-CD 4.18Å; W236-K249 HydrophobicContact CZ2-CG 3.76Å; W236-K249 HydrophobicContact CZ3-CB 4.38Å; W236-K249 HydrophobicContact CZ3-CG 3.58Å; W236-L252 HydrophobicContact CE3-CD1 4.06Å; W236-L252 HydrophobicContact CZ3-CD1 4.02Å; W236-L257 HydrophobicContact CH2-CD1 3.82Å; W236-L257 HydrophobicContact CH2-CD2 3.94Å; W236-L257 HydrophobicContact CZ3-CD1 4.36Å; W236-L257 HydrophobicContact CZ3-CD2 4.03Å
237R95.1Very high94.9Very high104 Ų10461.1 Ų61.139%0.39229%0.291SS..THydrogen-bonded Turntrans-51.4-37.4-175.6170.3-177.1143.281.21.9113.9R188 L234 P235R188-R237 PolarHBondContact NH2-O 3.26Å; L234-R237 WeakPolarHBondContact O-CB 3.14Å; L234-R237 PolarHBondContact O-N 3.01Å; P235-R237 PolarHBondContact O-N 3.23Å
238K94.3Very high94.7Very high192 Ų19262.8 Ų62.884%0.83530%0.3SS*.THydrogen-bonded Turntrans-92.1-4.5-175.7-65.1-177.3-179.7177.30113.7W236W236-K238 PolarHBondContact O-N 3.5Å; W236-K238 VanDerWaalsContact O-N 3.07Å
239V95.2Very high94.5Very high48 Ų4863 Ų6329%0.29130%0.301SS..  trans-91.3126.4-178.8-174.40000109.1W236 E244 V245 L248W236-V239 PolarHBondContact O-N 3.04Å; V239-E244 HydrophobicContact CG1-CB 3.85Å; V239-E244 HydrophobicContact CG1-CG 3.59Å; V239-V245 HydrophobicContact CB-CG2 3.82Å; V239-V245 HydrophobicContact CG1-CG2 3.71Å; V239-L248 HydrophobicContact CG2-CD1 3.8Å
240K90.3Very high94.1Very high202 Ų20269.2 Ų69.288%0.87833%0.33SS*.  trans-99.6-28.1179.2-67.9-176.3-180-179.60113.1K242K240-K242 PolarHBondContact O-N 3.21Å
241D93.5Very high93.8Very high89 Ų8974.9 Ų74.948%0.47636%0.355SS..  trans-67.1130.6-179.3-179.3-100.9000110.6E243 E244 V245D241-E243 PolarHBondContact OD1-N 3.05Å; D241-E243 VanDerWaalsContact OD1-N 3.08Å; D241-E244 HydrophobicContact CB-CB 4.05Å; D241-E244 PolarHBondContact OD1-N 2.96Å; D241-V245 VanDerWaalsContact O-CG2 3.27Å; D241-V245 WeakPolarHBondContact O-CG2 3.41Å; D241-V245 PolarHBondContact O-N 3.42Å
242K90.4Very high93.6Very high50 Ų5072 Ų7222%0.21734%0.343CS..Hα-helixtrans-66.8-46.3-173.9-177.7-162.5164.4-145.30110.9F183 V187 H195 K240 V245 G246F183-K242 HydrophobicContact CB-CD 4.35Å; F183-K242 HydrophobicContact CD1-CD 4.22Å; F183-K242 HydrophobicContact CD2-CD 4.34Å; F183-K242 VanDerWaalsContact CD2-CE 3.41Å; F183-K242 HydrophobicContact CG-CD 4.04Å; F183-K242 VanDerWaalsContact CG-CE 3.44Å; V187-K242 HydrophobicContact CG2-CB 4.39Å; V187-K242 HydrophobicContact CG2-CG 4.28Å; H195-K242 PolarHBondContact CE1-O 3.46Å; H195-K242 PolarHBondContact ND1-O 3.3Å; H195-K242 VanDerWaalsContact ND1-O 3.16Å; H195-K242 PolarHBondContact O-NZ 3.03Å; H195-K242 VanDerWaalsContact O-NZ 3.07Å; K240-K242 PolarHBondContact O-N 3.21Å; K242-V245 PolarHBondContact O-N 3.06Å; K242-G246 PolarHBondContact O-N 2.61Å; K242-G246 VanDerWaalsContact O-N 3.12Å
243E90.6Very high93.2Very high116 Ų11673 Ų7354%0.54235%0.354SS..Hα-helixtrans-68-39.5-174.5-64.5-178.2178.300110.7D241 G246 R247D241-E243 PolarHBondContact OD1-N 3.05Å; D241-E243 VanDerWaalsContact OD1-N 3.08Å; E243-G246 PolarHBondContact O-N 2.6Å; E243-R247 PolarHBondContact O-N 3.49Å
244E93.6Very high92.9Very high62 Ų6271.5 Ų71.529%0.2934%0.343SS..Hα-helixtrans-63.7-40.9175.3-177.866.6164.100112.8V239 D241 G246 R247 L248V239-E244 HydrophobicContact CG1-CB 3.85Å; V239-E244 HydrophobicContact CG1-CG 3.59Å; D241-E244 HydrophobicContact CB-CB 4.05Å; D241-E244 PolarHBondContact OD1-N 2.96Å; E244-G246 VanDerWaalsContact C-N 3.27Å; E244-G246 PolarHBondContact O-N 2.58Å; E244-R247 PolarHBondContact O-N 2.92Å; E244-R247 IonicContact OE2-CZ 3.4Å; E244-R247 IonicContact OE2-NE 3.51Å; E244-R247 PolarHBondContact OE2-NE 3.22Å; E244-R247 IonicContact OE2-NH2 2.66Å; E244-R247 PolarHBondContact OE2-NH2 3.22Å; E244-L248 HydrophobicContact CG-CD1 4.28Å; E244-L248 WeakPolarHBondContact O-CG 3.42Å; E244-L248 PolarHBondContact O-N 3.09Å
245V94.9Very high92.6Very high0 Ų076.4 Ų76.40%037%0.373CS..Hα-helixtrans-62.3-38.5174.3173.10000111.1V187 W236 V239 D241 K242 K249V187-V245 HydrophobicContact CG1-CB 3.76Å; V187-V245 HydrophobicContact CG1-CG1 3.82Å; V187-V245 HydrophobicContact CG1-CG2 3.69Å; W236-V245 HydrophobicContact CB-CG1 4.26Å; W236-V245 HydrophobicContact CB-CG2 4.23Å; W236-V245 HydrophobicContact CG-CG1 3.9Å; V239-V245 HydrophobicContact CB-CG2 3.82Å; V239-V245 HydrophobicContact CG1-CG2 3.71Å; D241-V245 VanDerWaalsContact O-CG2 3.27Å; D241-V245 WeakPolarHBondContact O-CG2 3.41Å; D241-V245 PolarHBondContact O-N 3.42Å; K242-V245 PolarHBondContact O-N 3.06Å; V245-K249 HydrophobicContact CG1-CD 4.12Å; V245-K249 VanDerWaalsContact O-CG 3.31Å; V245-K249 WeakPolarHBondContact O-CG 3.27Å; V245-K249 PolarHBondContact O-N 3.16Å; V245-K249 VanDerWaalsContact O-N 3.08Å
246G92.9Very high92.4Very high10 Ų1077.6 Ų77.610%0.10337%0.372CS..Hα-helixtrans-60.7-46.817400000112.5L192 K242 E243 E244 K249 H250L192-G246 WeakPolarHBondContact CD2-O 3.09Å; K242-G246 PolarHBondContact O-N 2.61Å; K242-G246 VanDerWaalsContact O-N 3.12Å; E243-G246 PolarHBondContact O-N 2.6Å; E244-G246 VanDerWaalsContact C-N 3.27Å; E244-G246 PolarHBondContact O-N 2.58Å; G246-K249 PolarHBondContact O-N 3.31Å; G246-H250 PolarHBondContact O-N 2.89Å; G246-H250 VanDerWaalsContact O-N 3.16Å
247R92.8Very high92.2Very high140 Ų14078 Ų7853%0.52837%0.374SS..Hα-helixtrans-60.2-49.1176.2-71.2-163.7-66.6-133.85.2112.5E243 E244 K249 H250 E251E243-R247 PolarHBondContact O-N 3.49Å; E244-R247 PolarHBondContact O-N 2.92Å; E244-R247 IonicContact OE2-CZ 3.4Å; E244-R247 IonicContact OE2-NE 3.51Å; E244-R247 PolarHBondContact OE2-NE 3.22Å; E244-R247 IonicContact OE2-NH2 2.66Å; E244-R247 PolarHBondContact OE2-NH2 3.22Å; R247-K249 VanDerWaalsContact C-N 3.28Å; R247-K249 PolarHBondContact O-N 3.35Å; R247-H250 PolarHBondContact O-N 3.27Å; R247-H250 VanDerWaalsContact O-N 3.09Å; R247-E251 WeakPolarHBondContact O-CG 3.31Å; R247-E251 PolarHBondContact O-N 2.89Å
248L93.8Very high92.2Very high37 Ų3773.1 Ų73.119%0.19436%0.356CS..Hα-helixtrans-59.3-39.2179.1-72.6171.6000112.3W236 V239 E244 H250 L252W236-L248 HydrophobicContact CB-CD1 3.94Å; W236-L248 HydrophobicContact CE3-CB 4.38Å; V239-L248 HydrophobicContact CG2-CD1 3.8Å; E244-L248 HydrophobicContact CG-CD1 4.28Å; E244-L248 WeakPolarHBondContact O-CG 3.42Å; E244-L248 PolarHBondContact O-N 3.09Å; L248-H250 VanDerWaalsContact C-N 3.33Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CD1 3.36Å; L248-L252 WeakPolarHBondContact O-CG 3.35Å; L248-L252 PolarHBondContact O-N 2.98Å
249K94.4Very high92.2Very high5 Ų569.7 Ų69.72%0.02234%0.343CS..Hα-helixtrans-61.7-42.6175.8-79173174.2-176.60112V187 R188 A190 L192 W236 V245 G246 R247 G253V187-K249 PolarHBondContact O-NZ 3.45Å; R188-K249 PolarHBondContact O-NZ 2.96Å; A190-K249 PolarHBondContact O-NZ 2.85Å; L192-K249 HydrophobicContact CD2-CB 3.46Å; L192-K249 VanDerWaalsContact CD2-CB 3.46Å; L192-K249 HydrophobicContact CG-CB 4.15Å; W236-K249 HydrophobicContact CD2-CG 4Å; W236-K249 HydrophobicContact CE3-CG 3.8Å; W236-K249 HydrophobicContact CH2-CD 4.43Å; W236-K249 HydrophobicContact CH2-CG 3.56Å; W236-K249 HydrophobicContact CZ2-CD 4.18Å; W236-K249 HydrophobicContact CZ2-CG 3.76Å; W236-K249 HydrophobicContact CZ3-CB 4.38Å; W236-K249 HydrophobicContact CZ3-CG 3.58Å; V245-K249 HydrophobicContact CG1-CD 4.12Å; V245-K249 VanDerWaalsContact O-CG 3.31Å; V245-K249 WeakPolarHBondContact O-CG 3.27Å; V245-K249 PolarHBondContact O-N 3.16Å; V245-K249 VanDerWaalsContact O-N 3.08Å; G246-K249 PolarHBondContact O-N 3.31Å; R247-K249 VanDerWaalsContact C-N 3.28Å; R247-K249 PolarHBondContact O-N 3.35Å; K249-G253 PolarHBondContact O-N 3.08Å
250H89.9Confident92.1Very high131 Ų13171.3 Ų71.361%0.60637%0.37SS*.Hα-helixtrans-69.8-45179.8-179.2-78.8000111.4L192 G246 R247 L248L192-H250 HydrophobicContact CD2-CB 4.06Å; G246-H250 PolarHBondContact O-N 2.89Å; G246-H250 VanDerWaalsContact O-N 3.16Å; R247-H250 PolarHBondContact O-N 3.27Å; R247-H250 VanDerWaalsContact O-N 3.09Å; L248-H250 VanDerWaalsContact C-N 3.33Å
251E91.4Very high92.4Very high142 Ų14262.9 Ų62.966%0.66433%0.334SS*.Hα-helixtrans-69-39.9-176.9-71.7174.3-171.800113.6R247R247-E251 WeakPolarHBondContact O-CG 3.31Å; R247-E251 PolarHBondContact O-N 2.89Å
252L91.1Very high92.6Very high52 Ų5259.1 Ų59.127%0.27231%0.314SS..Hα-helixtrans-73.7-32.9-177.4-67.8167.6000112.6P235 W236 L248 H256P235-L252 HydrophobicContact CB-CD1 3.46Å; P235-L252 VanDerWaalsContact CB-CD1 3.46Å; P235-L252 HydrophobicContact CG-CD1 3.81Å; W236-L252 HydrophobicContact CE3-CD1 4.06Å; W236-L252 HydrophobicContact CZ3-CD1 4.02Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CD1 3.36Å; L248-L252 WeakPolarHBondContact O-CG 3.35Å; L248-L252 PolarHBondContact O-N 2.98Å; L252-H256 WeakPolarHBondContact O-CB 3.44Å
253G88.5Confident92.9Very high30 Ų3058.7 Ų58.731%0.30932%0.318SS..Hα-helixtrans61.8177.6-174.100000113.8K249 L257K249-G253 PolarHBondContact O-N 3.08Å; G253-L257 WeakPolarHBondContact O-CG 3.44Å
254T89Confident93.2Very high15 Ų1554 Ų549%0.09230%0.296CS..Hα-helixtrans-80.2-28.8-176.251.60000113.5W220 F223 H256 L257 T258 E273W220-T254 HydrophobicContact CH2-CG2 3.57Å; W220-T254 HydrophobicContact CZ3-CG2 3.68Å; F223-T254 HydrophobicContact CE1-CG2 4.45Å; T254-H256 PolarHBondContact O-N 3.41Å; T254-L257 PolarHBondContact O-N 3.18Å; T254-T258 PolarHBondContact O-N 3.12Å; T254-T258 PolarHBondContact O-OG1 2.86Å; T254-T258 VanDerWaalsContact O-OG1 3.07Å; T254-E273 WeakPolarHBondContact CB-OE1 3.18Å; T254-E273 WeakPolarHBondContact CG2-OE1 3.43Å; T254-E273 PolarHBondContact OG1-OE1 3.28Å
255V89.4Confident93.4Very high106 Ų10651 Ų5164%0.64228%0.282SS*.Hα-helixtrans-61.1-46179.8178.20000110.9L257 T258 E259V255-L257 VanDerWaalsContact C-N 3.35Å; V255-L257 PolarHBondContact O-N 3.17Å; V255-T258 PolarHBondContact O-N 3.36Å; V255-T258 PolarHBondContact O-OG1 3.41Å; V255-T258 VanDerWaalsContact O-OG1 3.09Å; V255-E259 PolarHBondContact O-N 3.32Å
256H91.7Very high93.5Very high96 Ų9656.2 Ų56.244%0.44430%0.301SS..Hα-helixtrans-67.4-35.3178.9-173.563.4000112.5L252 T254 T258 E259L252-H256 WeakPolarHBondContact O-CB 3.44Å; T254-H256 PolarHBondContact O-N 3.41Å; H256-T258 PolarHBondContact O-N 2.91Å; H256-E259 IonicContact ND1-OE2 3.54Å; H256-E259 PolarHBondContact O-N 3.16Å
257L94.4Very high93.8Very high12 Ų1258.8 Ų58.86%0.06331%0.313CS..Hα-helixtrans-67.3-21177.9-66.7173.2000113.7F223 Y224 V227 P235 W236 G253 T254 V255 L261F223-L257 HydrophobicContact CE1-CB 4.48Å; F223-L257 HydrophobicContact CE1-CD1 4.1Å; Y224-L257 HydrophobicContact CD1-CD1 4.24Å; Y224-L257 HydrophobicContact CE1-CD1 3.87Å; V227-L257 HydrophobicContact CG2-CB 4.47Å; P235-L257 HydrophobicContact CG-CD2 3.73Å; W236-L257 HydrophobicContact CH2-CD1 3.82Å; W236-L257 HydrophobicContact CH2-CD2 3.94Å; W236-L257 HydrophobicContact CZ3-CD1 4.36Å; W236-L257 HydrophobicContact CZ3-CD2 4.03Å; G253-L257 WeakPolarHBondContact O-CG 3.44Å; T254-L257 PolarHBondContact O-N 3.18Å; V255-L257 VanDerWaalsContact C-N 3.35Å; V255-L257 PolarHBondContact O-N 3.17Å; L257-L261 WeakPolarHBondContact O-CD1 3.47Å
258T94.5Very high94Very high0 Ų052.1 Ų52.10%029%0.288CS..THydrogen-bonded Turntrans-104.85.7-177.755.50000113F223 T254 V255 H256 G260 L261 L265 R266F223-T258 HydrophobicContact CE2-CG2 3.9Å; F223-T258 HydrophobicContact CZ-CG2 3.7Å; T254-T258 PolarHBondContact O-N 3.12Å; T254-T258 PolarHBondContact O-OG1 2.86Å; T254-T258 VanDerWaalsContact O-OG1 3.07Å; V255-T258 PolarHBondContact O-N 3.36Å; V255-T258 PolarHBondContact O-OG1 3.41Å; V255-T258 VanDerWaalsContact O-OG1 3.09Å; H256-T258 PolarHBondContact O-N 2.91Å; T258-G260 PolarHBondContact O-N 2.62Å; T258-L261 PolarHBondContact O-N 3.4Å; T258-L261 VanDerWaalsContact O-N 3.15Å; T258-L265 HydrophobicContact CG2-CB 3.89Å; T258-R266 HydrophobicContact CG2-CG 4.31Å; T258-R266 WeakPolarHBondContact OG1-CG 3.36Å
259E93.4Very high94.2Very high120 Ų12050.4 Ų50.456%0.56128%0.279SS*.THydrogen-bonded Turntrans-64.6129176-167.7170.9-171.900110.6V255 H256 L261V255-E259 PolarHBondContact O-N 3.32Å; H256-E259 IonicContact ND1-OE2 3.54Å; H256-E259 PolarHBondContact O-N 3.16Å; E259-L261 PolarHBondContact O-N 2.94Å
260G93.8Very high94.3Very high83 Ų8352.5 Ų52.586%0.85629%0.293SS*.THydrogen-bonded Turntrans72.7-2-17500000115.6T258T258-G260 PolarHBondContact O-N 2.62Å
261L96.5Very high94.7Very high24 Ų2447.3 Ų47.313%0.12627%0.269CS..SBendtrans-96164.9174.9-59.7-172.8000111.5V227 L230 H231 L257 T258 E259 S263 L265V227-L261 HydrophobicContact CB-CD1 4.35Å; V227-L261 HydrophobicContact CG1-CD1 4.19Å; V227-L261 HydrophobicContact CG2-CD1 4.11Å; L230-L261 HydrophobicContact CB-CD2 3.84Å; H231-L261 HydrophobicContact CB-CD2 4.38Å; L257-L261 WeakPolarHBondContact O-CD1 3.47Å; T258-L261 PolarHBondContact O-N 3.4Å; T258-L261 VanDerWaalsContact O-N 3.15Å; E259-L261 PolarHBondContact O-N 2.94Å; L261-S263 PolarHBondContact O-N 3.46Å; L261-L265 HydrophobicContact CB-CD1 4Å; L261-L265 HydrophobicContact CD1-CD1 4.02Å
262P97.2Very high95Very high11 Ų1140.6 Ų40.67%0.07124%0.238CC..  trans-49.6128.4173.9-31.338.5000112.6E264 L265 I293P262-E264 PolarHBondContact O-N 3.24Å; P262-E264 VanDerWaalsContact O-N 3.1Å; P262-L265 WeakPolarHBondContact O-CB 3.37Å; P262-L265 PolarHBondContact O-N 2.92Å; P262-I293 HydrophobicContact CB-CB 4.5Å; P262-I293 HydrophobicContact CB-CD1 3.68Å; P262-I293 HydrophobicContact CB-CG1 3.71Å; P262-I293 HydrophobicContact CB-CG2 4.02Å; P262-I293 HydrophobicContact CG-CD1 4.28Å; P262-I293 HydrophobicContact CG-CG1 4.45Å; P262-I293 HydrophobicContact CG-CG2 3.9Å
263S96.5Very high95.1Very high41 Ų4143 Ų4329%0.28725%0.248SC..THydrogen-bonded Turntrans-57.7-28.1-174.253.90000114.2L261 L265 R266 R296L261-S263 PolarHBondContact O-N 3.46Å; S263-L265 PolarHBondContact O-N 3.45Å; S263-R266 WeakPolarHBondContact O-CB 3.33Å; S263-R266 PolarHBondContact O-N 3.46Å; S263-R296 PolarHBondContact OG-NH1 2.96Å
264E98Very high95.4Very high17 Ų1749.2 Ų49.28%0.07926%0.262CS..Hα-helixtrans-62.8-18.2177.1-61.479.1-178.200112.7P262 R266 D267 F268 C289 R292 I293 R296P262-E264 PolarHBondContact O-N 3.24Å; P262-E264 VanDerWaalsContact O-N 3.1Å; E264-R266 VanDerWaalsContact C-N 3.26Å; E264-R266 PolarHBondContact O-N 2.92Å; E264-D267 WeakPolarHBondContact O-CB 3.17Å; E264-D267 PolarHBondContact O-N 3.22Å; E264-F268 PolarHBondContact O-N 3.4Å; E264-C289 HydrophobicContact CB-CB 4.41Å; E264-R292 HydrophobicContact CG-CB 3.89Å; E264-I293 HydrophobicContact CB-CD1 4.13Å; E264-I293 HydrophobicContact CB-CG1 3.79Å; E264-I293 HydrophobicContact CG-CG1 4.08Å; E264-R296 VanDerWaalsContact CD-NH1 3.31Å; E264-R296 IonicContact OE1-CZ 2.69Å; E264-R296 IonicContact OE1-NE 3.79Å; E264-R296 IonicContact OE1-NH1 3.36Å; E264-R296 PolarHBondContact OE1-NH1 2.73Å; E264-R296 IonicContact OE1-NH2 3.67Å; E264-R296 IonicContact OE2-CZ 3.65Å; E264-R296 IonicContact OE2-NH1 2.7Å; E264-R296 PolarHBondContact OE2-NH1 3.29Å; E264-R296 IonicContact OE2-NH2 2.73Å; E264-R296 PolarHBondContact OE2-NH2 3.11Å
265L97.9Very high95.6Very high0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-70.3-23.9171.4-63.6-175.6000112.6F223 I226 L230 T258 L261 P262 S263 F268 S269 L290 I293F223-L265 HydrophobicContact CE2-CB 4.43Å; I226-L265 HydrophobicContact CG2-CD1 3.88Å; I226-L265 HydrophobicContact CG2-CD2 3.81Å; L230-L265 HydrophobicContact CD1-CD1 4.09Å; T258-L265 HydrophobicContact CG2-CB 3.89Å; L261-L265 HydrophobicContact CB-CD1 4Å; L261-L265 HydrophobicContact CD1-CD1 4.02Å; P262-L265 WeakPolarHBondContact O-CB 3.37Å; P262-L265 PolarHBondContact O-N 2.92Å; S263-L265 PolarHBondContact O-N 3.45Å; L265-F268 WeakPolarHBondContact O-CB 3.38Å; L265-F268 PolarHBondContact O-N 2.84Å; L265-S269 PolarHBondContact O-N 2.77Å; L265-S269 PolarHBondContact O-OG 2.92Å; L265-L290 HydrophobicContact CD2-CD2 4.37Å; L265-I293 HydrophobicContact CD2-CD1 3.95Å; L265-I293 HydrophobicContact CG-CD1 4.18Å
266R97.2Very high95.7Very high108 Ų10846 Ų4641%0.40825%0.247SC..Hα-helixtrans-69.2-42.7169.4-68.5-172.9-74.4-103.16.4110.8T258 S263 E264 F268 S269 C270T258-R266 HydrophobicContact CG2-CG 4.31Å; T258-R266 WeakPolarHBondContact OG1-CG 3.36Å; S263-R266 WeakPolarHBondContact O-CB 3.33Å; S263-R266 PolarHBondContact O-N 3.46Å; E264-R266 VanDerWaalsContact C-N 3.26Å; E264-R266 PolarHBondContact O-N 2.92Å; R266-F268 PolarHBondContact O-N 3.17Å; R266-S269 PolarHBondContact O-N 3.23Å; R266-S269 PolarHBondContact O-OG 2.86Å; R266-S269 VanDerWaalsContact O-OG 3.05Å; R266-C270 WeakPolarHBondContact O-CB 3.41Å; R266-C270 PolarHBondContact O-N 3.45Å; R266-C270 PolarHBondContact O-SG 3.35Å
267D97.4Very high95.8Very high64 Ų6443.2 Ų43.234%0.34223%0.233SC..Hα-helixtrans-58.8-41174.4-60.1-19.9000111.1E264 H271 Y285 R292E264-D267 WeakPolarHBondContact O-CB 3.17Å; E264-D267 PolarHBondContact O-N 3.22Å; D267-H271 PolarHBondContact O-N 2.99Å; D267-Y285 WeakPolarHBondContact CB-OH 3.19Å; D267-R292 IonicContact OD2-NH2 3.17Å; D267-R292 PolarHBondContact OD2-NH2 3.39Å
268F98.4Very high95.7Very high0 Ų044.8 Ų44.80%025%0.252CS..Hα-helixtrans-60.7-52.6175.1-162.4-68.5000111.1L222 F223 I226 E264 L265 R266 H271 L272 L286 C289 L290L222-F268 HydrophobicContact CD2-CZ 4.25Å; F223-F268 HydrophobicContact CB-CD1 4.45Å; F223-F268 HydrophobicContact CB-CE1 4.31Å; F223-F268 HydrophobicContact CD2-CD1 4.16Å; I226-F268 HydrophobicContact CD1-CE2 4.48Å; I226-F268 HydrophobicContact CD1-CZ 4.47Å; E264-F268 PolarHBondContact O-N 3.4Å; L265-F268 WeakPolarHBondContact O-CB 3.38Å; L265-F268 PolarHBondContact O-N 2.84Å; R266-F268 PolarHBondContact O-N 3.17Å; F268-H271 WeakPolarHBondContact O-CB 3.46Å; F268-H271 PolarHBondContact O-N 3.04Å; F268-L272 HydrophobicContact CD1-CD1 4.07Å; F268-L272 HydrophobicContact CD1-CG 4.21Å; F268-L272 HydrophobicContact CE1-CD1 3.92Å; F268-L272 HydrophobicContact CE1-CD2 4.39Å; F268-L272 HydrophobicContact CE1-CG 4.26Å; F268-L272 PolarHBondContact O-N 3.39Å; F268-L286 HydrophobicContact CB-CD2 4.45Å; F268-L286 HydrophobicContact CD1-CD2 3.71Å; F268-L286 HydrophobicContact CD2-CB 4.26Å; F268-L286 HydrophobicContact CD2-CD2 3.68Å; F268-L286 HydrophobicContact CE1-CD1 4.47Å; F268-L286 HydrophobicContact CE1-CD2 3.75Å; F268-L286 HydrophobicContact CE2-CB 3.75Å; F268-L286 HydrophobicContact CE2-CD2 3.73Å; F268-L286 HydrophobicContact CE2-CG 4.23Å; F268-L286 HydrophobicContact CG-CD2 3.67Å; F268-L286 HydrophobicContact CZ-CB 4.11Å; F268-L286 HydrophobicContact CZ-CD1 4.17Å; F268-L286 HydrophobicContact CZ-CD2 3.76Å; F268-L286 HydrophobicContact CZ-CG 4.23Å; F268-C289 HydrophobicContact CB-CB 4.45Å; F268-C289 HydrophobicContact CD2-CB 4.15Å; F268-L290 HydrophobicContact CD2-CD2 4.47Å; F268-L290 HydrophobicContact CE2-CD1 4.37Å; F268-L290 HydrophobicContact CE2-CD2 4.43Å; F268-L290 HydrophobicContact CE2-CG 4.27Å
269S97.4Very high95.7Very high1 Ų148.4 Ų48.41%0.00727%0.272CS..Hα-helixtrans-67.3-39.7-178.362.10000113.1L265 R266 H271 L272 E273L265-S269 PolarHBondContact O-N 2.77Å; L265-S269 PolarHBondContact O-OG 2.92Å; R266-S269 PolarHBondContact O-N 3.23Å; R266-S269 PolarHBondContact O-OG 2.86Å; R266-S269 VanDerWaalsContact O-OG 3.05Å; S269-H271 PolarHBondContact O-N 3.43Å; S269-L272 PolarHBondContact O-N 2.86Å; S269-E273 WeakPolarHBondContact O-CG 3.46Å; S269-E273 PolarHBondContact O-N 3.14Å
270C96.8Very high95.8Very high49 Ų4947.2 Ų47.233%0.33127%0.272SS..Hα-helixtrans-61.9-29.7176.6-72.80000112.6R266 R274R266-C270 WeakPolarHBondContact O-CB 3.41Å; R266-C270 PolarHBondContact O-N 3.45Å; R266-C270 PolarHBondContact O-SG 3.35Å; C270-R274 PolarHBondContact O-NE 3.47Å; C270-R274 PolarHBondContact O-NH1 3.2Å
271H98Very high96.1Very high22 Ų2243.4 Ų43.410%0.10223%0.233CC..Hα-helixtrans-67.3-46.8170.2-177.267000111.8D267 F268 S269 E273 R274 D282 Y285 L286D267-H271 PolarHBondContact O-N 2.99Å; F268-H271 WeakPolarHBondContact O-CB 3.46Å; F268-H271 PolarHBondContact O-N 3.04Å; S269-H271 PolarHBondContact O-N 3.43Å; H271-E273 VanDerWaalsContact C-N 3.31Å; H271-E273 PolarHBondContact O-N 3.34Å; H271-R274 PolarHBondContact O-N 2.68Å; H271-D282 PolarHBondContact NE2-N 3.09Å; H271-Y285 HydrophobicContact CB-CD1 4.07Å; H271-Y285 HydrophobicContact CB-CE1 3.78Å; H271-Y285 AromaticContact CG-CD1 4Å; H271-L286 HydrophobicContact CB-CD2 4.31Å
272L97.2Very high96.2Very high1 Ų146.1 Ų46.11%0.00525%0.247CC..Hα-helixtrans-63-35.4179.8-58.9-172.2000113.4L219 W220 F223 F268 S269 R274 L275 L286L219-L272 HydrophobicContact CB-CD1 4.34Å; L219-L272 HydrophobicContact CB-CD2 3.67Å; L219-L272 HydrophobicContact CD1-CD2 4.16Å; W220-L272 HydrophobicContact CD2-CB 4.07Å; W220-L272 HydrophobicContact CD2-CD1 3.75Å; W220-L272 HydrophobicContact CE3-CD1 3.86Å; W220-L272 HydrophobicContact CG-CD1 4.09Å; W220-L272 HydrophobicContact CH2-CB 4.08Å; W220-L272 HydrophobicContact CZ2-CB 3.55Å; W220-L272 HydrophobicContact CZ3-CD1 4.31Å; F223-L272 HydrophobicContact CB-CD1 4.03Å; F268-L272 HydrophobicContact CD1-CD1 4.07Å; F268-L272 HydrophobicContact CD1-CG 4.21Å; F268-L272 HydrophobicContact CE1-CD1 3.92Å; F268-L272 HydrophobicContact CE1-CD2 4.39Å; F268-L272 HydrophobicContact CE1-CG 4.26Å; F268-L272 PolarHBondContact O-N 3.39Å; S269-L272 PolarHBondContact O-N 2.86Å; L272-R274 PolarHBondContact O-N 3Å; L272-L275 HydrophobicContact CD2-CD1 4.18Å; L272-L275 PolarHBondContact O-N 2.86Å; L272-L275 VanDerWaalsContact O-N 3.17Å; L272-L286 HydrophobicContact CD2-CD1 4.23Å; L272-L286 HydrophobicContact CD2-CD2 4.41Å
273E94.5Very high96.2Very high103 Ų10346.8 Ų46.848%0.48125%0.249SC..THydrogen-bonded Turntrans-62.3-22.1177.7-73.3167.6177.100113.5W220 T254 S269 H271W220-E273 HydrophobicContact CH2-CG 3.8Å; W220-E273 HydrophobicContact CZ2-CG 3.82Å; T254-E273 WeakPolarHBondContact CB-OE1 3.18Å; T254-E273 WeakPolarHBondContact CG2-OE1 3.43Å; T254-E273 PolarHBondContact OG1-OE1 3.28Å; S269-E273 WeakPolarHBondContact O-CG 3.46Å; S269-E273 PolarHBondContact O-N 3.14Å; H271-E273 VanDerWaalsContact C-N 3.31Å; H271-E273 PolarHBondContact O-N 3.34Å
274R94.5Very high96.3Very high161 Ų16151 Ų5161%0.60826%0.264SS*.THydrogen-bonded Turntrans-90.5-8.2179.2-65.7-176.7-68.4-1085.8113.7C270 H271 L272C270-R274 PolarHBondContact O-NE 3.47Å; C270-R274 PolarHBondContact O-NH1 3.2Å; H271-R274 PolarHBondContact O-N 2.68Å; L272-R274 PolarHBondContact O-N 3Å
275L94Very high96.4Very high26 Ų2653.8 Ų53.814%0.13627%0.274CS..  trans-95135.2-174.3-60.5174.3000111.2H216 L272 D279 P281H216-L275 HydrophobicContact CB-CB 3.66Å; H216-L275 HydrophobicContact CB-CD1 4.02Å; L272-L275 HydrophobicContact CD2-CD1 4.18Å; L272-L275 PolarHBondContact O-N 2.86Å; L272-L275 VanDerWaalsContact O-N 3.17Å; L275-D279 HydrophobicContact CB-CB 4.46Å; L275-D279 HydrophobicContact CD2-CB 3.72Å; L275-P281 HydrophobicContact CD1-CB 3.9Å; L275-P281 HydrophobicContact CD1-CG 4.11Å
276G91.7Very high96.4Very high27 Ų2753.8 Ų53.828%0.27827%0.274SS..  trans-109.8-168.4167.500000112.8H216 G278 D279H216-G276 PolarHBondContact CE1-O 3.07Å; H216-G276 VanDerWaalsContact ND1-C 3.33Å; H216-G276 PolarHBondContact ND1-O 3.1Å; G276-G278 VanDerWaalsContact C-N 3.29Å; G276-G278 PolarHBondContact O-N 3.3Å; G276-D279 WeakPolarHBondContact CA-OD2 3.42Å; G276-D279 PolarHBondContact N-OD2 3.1Å; G276-D279 PolarHBondContact O-N 2.96Å
277Y91.9Very high96.5Very high37 Ų3749.2 Ų49.215%0.14526%0.259CS..SBendtrans-61.4-37.6-179.9177.8-106.2000112.8L174 R175 P177 E212 M213L174-Y277 HydrophobicContact CD1-CE1 3.91Å; L174-Y277 HydrophobicContact CD2-CD1 4.04Å; L174-Y277 HydrophobicContact CD2-CE1 3.88Å; L174-Y277 HydrophobicContact CG-CE1 3.9Å; R175-Y277 VanDerWaalsContact O-CE1 3.24Å; R175-Y277 WeakPolarHBondContact O-CE1 3.14Å; R175-Y277 PolarHBondContact O-OH 2.79Å; P177-Y277 HydrophobicContact CB-CD1 4.18Å; P177-Y277 HydrophobicContact CB-CE1 4.07Å; P177-Y277 HydrophobicContact CG-CD1 4.36Å; P177-Y277 HydrophobicContact CG-CE1 4.38Å; E212-Y277 HydrophobicContact CB-CD2 4.07Å; E212-Y277 HydrophobicContact CB-CE2 3.94Å; E212-Y277 HydrophobicContact CG-CD2 3.99Å; E212-Y277 HydrophobicContact CG-CE2 3.38Å; E212-Y277 VanDerWaalsContact O-CD2 3.31Å; E212-Y277 WeakPolarHBondContact O-CD2 3.39Å; M213-Y277 WeakPolarHBondContact O-CE2 3.48Å
278G92.3Very high96.6Very high46 Ų4647 Ų4747%0.47425%0.251SS..SBendtrans-70.8-27.9-177.600000114.5R215 G276R215-G278 PolarHBondContact NH2-O 3.49Å; G276-G278 VanDerWaalsContact C-N 3.29Å; G276-G278 PolarHBondContact O-N 3.3Å
279D94.7Very high96.6Very high76 Ų7647 Ų4741%0.40625%0.251SS..PPolyproline II helixtrans-80.7144.5-163.6-57.7-54.9000112.5R215 L275 G276R215-D279 VanDerWaalsContact CZ-O 3.24Å; R215-D279 PolarHBondContact NE-O 3.18Å; R215-D279 PolarHBondContact NH2-O 2.98Å; L275-D279 HydrophobicContact CB-CB 4.46Å; L275-D279 HydrophobicContact CD2-CB 3.72Å; G276-D279 WeakPolarHBondContact CA-OD2 3.42Å; G276-D279 PolarHBondContact N-OD2 3.1Å; G276-D279 PolarHBondContact O-N 2.96Å
280T97.2Very high96.6Very high94 Ų9447 Ų4758%0.57725%0.25SS*.PPolyproline II helixtrans-89.1117.9167.8-58.60000107.7R215 Y283R215-T280 VanDerWaalsContact CZ-CA 3.49Å; R215-T280 VanDerWaalsContact CZ-OG1 3.3Å; R215-T280 PolarHBondContact NH1-OG1 2.61Å; R215-T280 PolarHBondContact NH2-OG1 2.66Å; R215-T280 VanDerWaalsContact NH2-OG1 3.12Å; T280-Y283 HydrophobicContact CG2-CE2 4.43Å
281P98.4Very high96.7Very high4 Ų451 Ų513%0.02626%0.259CS..PPolyproline II helixtrans-61.1139.7176-2031.2000111.4R215 L219 L275 Y283R215-P281 HydrophobicContact CB-CG 3.71Å; L219-P281 HydrophobicContact CD1-CB 3.4Å; L219-P281 HydrophobicContact CD1-CG 3.47Å; L219-P281 VanDerWaalsContact CD1-CG 3.47Å; L275-P281 HydrophobicContact CD1-CB 3.9Å; L275-P281 HydrophobicContact CD1-CG 4.11Å; P281-Y283 HydrophobicContact CB-CE1 4.25Å; P281-Y283 HydrophobicContact CB-CE2 4.26Å; P281-Y283 HydrophobicContact CG-CE1 4.38Å; P281-Y283 HydrophobicContact CG-CE2 4.44Å; P281-Y283 WeakPolarHBondContact O-CD2 3.4Å; P281-Y283 VanDerWaalsContact O-CE2 3.3Å; P281-Y283 WeakPolarHBondContact O-CE2 3.41Å; P281-Y283 PolarHBondContact O-N 3.44Å
282D98.6Very high96.8Very high80 Ų8054.8 Ų54.843%0.42827%0.272SS..  trans-7388.1164.8-169.4-20.8000110.4H271 E284 Y285 L286H271-D282 PolarHBondContact NE2-N 3.09Å; D282-E284 VanDerWaalsContact C-N 3.26Å; D282-E284 PolarHBondContact O-N 2.86Å; D282-E284 PolarHBondContact OD1-N 3.41Å; D282-Y285 PolarHBondContact O-N 3.2Å; D282-Y285 WeakPolarHBondContact OD1-CB 3.34Å; D282-Y285 PolarHBondContact OD1-N 3.07Å; D282-Y285 WeakPolarHBondContact OD2-CB 3.32Å; D282-L286 WeakPolarHBondContact O-CG 3.46Å; D282-L286 PolarHBondContact O-N 3.14Å
283Y98.8Very high96.8Very high26 Ų2654.9 Ų54.910%0.10227%0.272CS..Hα-helixtrans-63.6-33.2179.9-60.3-84000112L123 E127 H130 L219 T280 P281 L286 S287L123-Y283 HydrophobicContact CD1-CD1 4.34Å; E127-Y283 HydrophobicContact CB-CD1 3.78Å; E127-Y283 HydrophobicContact CB-CE1 4.12Å; E127-Y283 HydrophobicContact CB-CG 4.12Å; E127-Y283 HydrophobicContact CG-CD1 3.99Å; E127-Y283 HydrophobicContact CG-CD2 4.05Å; E127-Y283 HydrophobicContact CG-CE1 4.38Å; E127-Y283 HydrophobicContact CG-CE2 4.44Å; E127-Y283 HydrophobicContact CG-CG 3.82Å; H130-Y283 WeakPolarHBondContact CB-OH 3.5Å; H130-Y283 AromaticContact ND1-CE1 3.65Å; H130-Y283 AromaticContact ND1-CZ 3.65Å; H130-Y283 PolarHBondContact ND1-OH 2.96Å; L219-Y283 HydrophobicContact CD1-CE1 4.27Å; L219-Y283 HydrophobicContact CD2-CE1 4.46Å; T280-Y283 HydrophobicContact CG2-CE2 4.43Å; P281-Y283 HydrophobicContact CB-CE1 4.25Å; P281-Y283 HydrophobicContact CB-CE2 4.26Å; P281-Y283 HydrophobicContact CG-CE1 4.38Å; P281-Y283 HydrophobicContact CG-CE2 4.44Å; P281-Y283 WeakPolarHBondContact O-CD2 3.4Å; P281-Y283 VanDerWaalsContact O-CE2 3.3Å; P281-Y283 WeakPolarHBondContact O-CE2 3.41Å; P281-Y283 PolarHBondContact O-N 3.44Å; Y283-L286 PolarHBondContact O-N 3.24Å; Y283-S287 WeakPolarHBondContact O-CB 3.14Å; Y283-S287 PolarHBondContact O-N 3.47Å
284E98.7Very high97Very high129 Ų12950.7 Ų50.760%0.60325%0.253SS*.Hα-helixtrans-70.5-40.9-179.8-173.855-153.800111.2D282 L286 S287 G288D282-E284 VanDerWaalsContact C-N 3.26Å; D282-E284 PolarHBondContact O-N 2.86Å; D282-E284 PolarHBondContact OD1-N 3.41Å; E284-L286 VanDerWaalsContact C-N 3.35Å; E284-L286 PolarHBondContact O-N 3.24Å; E284-S287 PolarHBondContact O-N 3.41Å; E284-S287 PolarHBondContact O-OG 3.23Å; E284-S287 PolarHBondContact OE2-OG 3.26Å; E284-G288 PolarHBondContact O-N 3Å
285Y98.7Very high97.2Very high76 Ų7645.6 Ų45.630%0.29825%0.251SS..Hα-helixtrans-59.1-45.9172176.8-96.9000112.1D267 H271 D282 S287 G288 C289D267-Y285 WeakPolarHBondContact CB-OH 3.19Å; H271-Y285 HydrophobicContact CB-CD1 4.07Å; H271-Y285 HydrophobicContact CB-CE1 3.78Å; H271-Y285 AromaticContact CG-CD1 4Å; D282-Y285 PolarHBondContact O-N 3.2Å; D282-Y285 WeakPolarHBondContact OD1-CB 3.34Å; D282-Y285 PolarHBondContact OD1-N 3.07Å; D282-Y285 WeakPolarHBondContact OD2-CB 3.32Å; Y285-S287 VanDerWaalsContact C-N 3.35Å; Y285-S287 PolarHBondContact O-N 2.88Å; Y285-G288 WeakPolarHBondContact O-CA 3.07Å; Y285-G288 PolarHBondContact O-N 3.07Å; Y285-C289 PolarHBondContact O-N 3.25Å; Y285-C289 PolarHBondContact O-SG 3.05Å; Y285-C289 VanDerWaalsContact O-SG 3.35Å
286L98.8Very high97.3Very high0 Ų050.4 Ų50.40%027%0.267CS..Hα-helixtrans-62.6-41.5177.5-67.5177.9000111.8L123 L219 F268 H271 L272 D282 Y283 E284 G288 C289 L290L123-L286 HydrophobicContact CD1-CB 4.36Å; L123-L286 HydrophobicContact CD1-CD1 4.36Å; L123-L286 HydrophobicContact CD2-CB 3.87Å; L219-L286 HydrophobicContact CD1-CD1 3.73Å; L219-L286 HydrophobicContact CD2-CD1 4.11Å; L219-L286 HydrophobicContact CG-CD1 4.42Å; F268-L286 HydrophobicContact CB-CD2 4.45Å; F268-L286 HydrophobicContact CD1-CD2 3.71Å; F268-L286 HydrophobicContact CD2-CB 4.26Å; F268-L286 HydrophobicContact CD2-CD2 3.68Å; F268-L286 HydrophobicContact CE1-CD1 4.47Å; F268-L286 HydrophobicContact CE1-CD2 3.75Å; F268-L286 HydrophobicContact CE2-CB 3.75Å; F268-L286 HydrophobicContact CE2-CD2 3.73Å; F268-L286 HydrophobicContact CE2-CG 4.23Å; F268-L286 HydrophobicContact CG-CD2 3.67Å; F268-L286 HydrophobicContact CZ-CB 4.11Å; F268-L286 HydrophobicContact CZ-CD1 4.17Å; F268-L286 HydrophobicContact CZ-CD2 3.76Å; F268-L286 HydrophobicContact CZ-CG 4.23Å; H271-L286 HydrophobicContact CB-CD2 4.31Å; L272-L286 HydrophobicContact CD2-CD1 4.23Å; L272-L286 HydrophobicContact CD2-CD2 4.41Å; D282-L286 WeakPolarHBondContact O-CG 3.46Å; D282-L286 PolarHBondContact O-N 3.14Å; Y283-L286 PolarHBondContact O-N 3.24Å; E284-L286 VanDerWaalsContact C-N 3.35Å; E284-L286 PolarHBondContact O-N 3.24Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-C289 WeakPolarHBondContact O-CB 3.31Å; L286-C289 PolarHBondContact O-N 3.22Å; L286-L290 PolarHBondContact O-N 3.14Å
287S98.7Very high97.6Very high12 Ų1251.5 Ų51.58%0.08427%0.27CS..Hα-helixtrans-63.6-41.1174.4104.10000110.6Y283 E284 Y285 C289 L290 R291Y283-S287 WeakPolarHBondContact O-CB 3.14Å; Y283-S287 PolarHBondContact O-N 3.47Å; E284-S287 PolarHBondContact O-N 3.41Å; E284-S287 PolarHBondContact O-OG 3.23Å; E284-S287 PolarHBondContact OE2-OG 3.26Å; Y285-S287 VanDerWaalsContact C-N 3.35Å; Y285-S287 PolarHBondContact O-N 2.88Å; S287-C289 VanDerWaalsContact C-N 3.35Å; S287-C289 PolarHBondContact O-N 2.91Å; S287-L290 PolarHBondContact O-N 2.92Å; S287-L290 VanDerWaalsContact O-N 3.12Å; S287-R291 WeakPolarHBondContact O-CG 3.33Å; S287-R291 PolarHBondContact O-N 3.47Å
288G98.7Very high97.8Very high17 Ų1758.8 Ų58.818%0.17530%0.303CS..Hα-helixtrans-59-41.3175.400000112.7E284 Y285 L286 L290 R291 R292E284-G288 PolarHBondContact O-N 3Å; Y285-G288 WeakPolarHBondContact O-CA 3.07Å; Y285-G288 PolarHBondContact O-N 3.07Å; L286-G288 VanDerWaalsContact C-N 3.32Å; G288-L290 VanDerWaalsContact C-N 3.34Å; G288-L290 PolarHBondContact O-N 2.85Å; G288-R291 PolarHBondContact O-N 3.05Å; G288-R292 WeakPolarHBondContact O-CG 3.21Å; G288-R292 PolarHBondContact O-N 3.03Å; G288-R292 PolarHBondContact O-NH1 3.47Å
289C98.7Very high98.1Very high0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-57.4-46.5173.1-66.60000111.5E264 F268 Y285 L286 S287 R292 I293E264-C289 HydrophobicContact CB-CB 4.41Å; F268-C289 HydrophobicContact CB-CB 4.45Å; F268-C289 HydrophobicContact CD2-CB 4.15Å; Y285-C289 PolarHBondContact O-N 3.25Å; Y285-C289 PolarHBondContact O-SG 3.05Å; Y285-C289 VanDerWaalsContact O-SG 3.35Å; L286-C289 WeakPolarHBondContact O-CB 3.31Å; L286-C289 PolarHBondContact O-N 3.22Å; S287-C289 VanDerWaalsContact C-N 3.35Å; S287-C289 PolarHBondContact O-N 2.91Å; C289-R292 PolarHBondContact O-N 3.07Å; C289-R292 PolarHBondContact SG-NH2 3.24Å; C289-I293 WeakPolarHBondContact O-CG1 3.41Å; C289-I293 PolarHBondContact O-N 3.28Å
290L98.7Very high98.2Very high0 Ų055.1 Ų55.10%028%0.279CS..Hα-helixtrans-68.9-40.1179-59.9177.1000112.2V116 A119 L120 L123 I226 L265 F268 L286 S287 G288 R292 I293 I294V116-L290 HydrophobicContact CG2-CB 3.96Å; V116-L290 HydrophobicContact CG2-CD2 4.07Å; V116-L290 WeakPolarHBondContact CG2-O 3.36Å; A119-L290 HydrophobicContact CB-CD1 3.89Å; A119-L290 HydrophobicContact CB-CD2 4.22Å; L120-L290 HydrophobicContact CD2-CB 3.71Å; L120-L290 HydrophobicContact CD2-CD1 3.91Å; L120-L290 HydrophobicContact CD2-CG 4.44Å; L120-L290 HydrophobicContact CG-CB 3.83Å; L120-L290 HydrophobicContact CG-CD1 4Å; L123-L290 HydrophobicContact CD2-CD1 4.19Å; I226-L290 HydrophobicContact CD1-CD2 4.09Å; L265-L290 HydrophobicContact CD2-CD2 4.37Å; F268-L290 HydrophobicContact CD2-CD2 4.47Å; F268-L290 HydrophobicContact CE2-CD1 4.37Å; F268-L290 HydrophobicContact CE2-CD2 4.43Å; F268-L290 HydrophobicContact CE2-CG 4.27Å; L286-L290 PolarHBondContact O-N 3.14Å; S287-L290 PolarHBondContact O-N 2.92Å; S287-L290 VanDerWaalsContact O-N 3.12Å; G288-L290 VanDerWaalsContact C-N 3.34Å; G288-L290 PolarHBondContact O-N 2.85Å; L290-R292 VanDerWaalsContact C-N 3.34Å; L290-R292 PolarHBondContact O-N 2.84Å; L290-I293 HydrophobicContact CD2-CD1 4.42Å; L290-I293 WeakPolarHBondContact O-CB 3.35Å; L290-I293 PolarHBondContact O-N 2.97Å; L290-I294 PolarHBondContact O-N 3.01Å; L290-I294 VanDerWaalsContact O-N 3.11Å
291R98.6Very high98.1Very high134 Ų13455.7 Ų55.751%0.50628%0.278SS..Hα-helixtrans-64.6-34.9176.3-70.5177.5-170.8-79.72.6112.5L120 S287 G288 I293 I294 G295L120-R291 HydrophobicContact CD1-CG 4.36Å; L120-R291 HydrophobicContact CD2-CG 4.29Å; S287-R291 WeakPolarHBondContact O-CG 3.33Å; S287-R291 PolarHBondContact O-N 3.47Å; G288-R291 PolarHBondContact O-N 3.05Å; R291-I293 VanDerWaalsContact C-N 3.33Å; R291-I294 WeakPolarHBondContact O-CB 3.45Å; R291-I294 PolarHBondContact O-N 3.47Å; R291-G295 PolarHBondContact O-N 2.99Å
292R98.6Very high98Very high102 Ų10262 Ų6239%0.38531%0.311SS..Hα-helixtrans-63-39.2173-76-166.3-54.3-85.110112E264 D267 G288 C289 L290 G295 R296E264-R292 HydrophobicContact CG-CB 3.89Å; D267-R292 IonicContact OD2-NH2 3.17Å; D267-R292 PolarHBondContact OD2-NH2 3.39Å; G288-R292 WeakPolarHBondContact O-CG 3.21Å; G288-R292 PolarHBondContact O-N 3.03Å; G288-R292 PolarHBondContact O-NH1 3.47Å; C289-R292 PolarHBondContact O-N 3.07Å; C289-R292 PolarHBondContact SG-NH2 3.24Å; L290-R292 VanDerWaalsContact C-N 3.34Å; L290-R292 PolarHBondContact O-N 2.84Å; R292-G295 PolarHBondContact O-N 3.11Å; R292-R296 WeakPolarHBondContact O-CB 3.39Å; R292-R296 PolarHBondContact O-N 2.89Å
293I98.5Very high98Very high2 Ų261 Ų611%0.0131%0.306CS..Hα-helixtrans-61.2-46.5173.3-59.3169.8000110.1I112 V116 P262 E264 L265 C289 L290 R291 G295 R296 C297I112-I293 HydrophobicContact CG2-CG2 3.92Å; V116-I293 HydrophobicContact CG2-CB 4.07Å; V116-I293 HydrophobicContact CG2-CD1 4.36Å; V116-I293 HydrophobicContact CG2-CG2 4.15Å; P262-I293 HydrophobicContact CB-CB 4.5Å; P262-I293 HydrophobicContact CB-CD1 3.68Å; P262-I293 HydrophobicContact CB-CG1 3.71Å; P262-I293 HydrophobicContact CB-CG2 4.02Å; P262-I293 HydrophobicContact CG-CD1 4.28Å; P262-I293 HydrophobicContact CG-CG1 4.45Å; P262-I293 HydrophobicContact CG-CG2 3.9Å; E264-I293 HydrophobicContact CB-CD1 4.13Å; E264-I293 HydrophobicContact CB-CG1 3.79Å; E264-I293 HydrophobicContact CG-CG1 4.08Å; L265-I293 HydrophobicContact CD2-CD1 3.95Å; L265-I293 HydrophobicContact CG-CD1 4.18Å; C289-I293 WeakPolarHBondContact O-CG1 3.41Å; C289-I293 PolarHBondContact O-N 3.28Å; L290-I293 HydrophobicContact CD2-CD1 4.42Å; L290-I293 WeakPolarHBondContact O-CB 3.35Å; L290-I293 PolarHBondContact O-N 2.97Å; R291-I293 VanDerWaalsContact C-N 3.33Å; I293-G295 PolarHBondContact O-N 3.34Å; I293-R296 PolarHBondContact O-N 3.06Å; I293-C297 VanDerWaalsContact O-CB 3.26Å; I293-C297 WeakPolarHBondContact O-CB 3.16Å; I293-C297 PolarHBondContact O-N 2.61Å
294I98.3Very high97.9Very high16 Ų1662.5 Ų62.58%0.08232%0.319CS..Hα-helixtrans-56.4-50.5177.2-71.5177.1000111.1V116 R117 L120 L290 R291 K298 V299 L301V116-I294 HydrophobicContact CB-CG1 4.43Å; V116-I294 HydrophobicContact CG1-CD1 4.02Å; V116-I294 HydrophobicContact CG1-CG1 3.42Å; V116-I294 VanDerWaalsContact CG1-CG1 3.42Å; V116-I294 HydrophobicContact CG2-CG1 4.1Å; R117-I294 HydrophobicContact CG-CD1 4.24Å; L120-I294 HydrophobicContact CD1-CD1 3.33Å; L290-I294 PolarHBondContact O-N 3.01Å; L290-I294 VanDerWaalsContact O-N 3.11Å; R291-I294 WeakPolarHBondContact O-CB 3.45Å; R291-I294 PolarHBondContact O-N 3.47Å; I294-K298 PolarHBondContact O-N 3.06Å; I294-V299 HydrophobicContact CB-CB 4.4Å; I294-V299 HydrophobicContact CG1-CB 4.42Å; I294-V299 HydrophobicContact CG1-CG1 4.46Å; I294-V299 HydrophobicContact CG2-CB 4.04Å; I294-V299 HydrophobicContact CG2-CG1 4.4Å; I294-V299 VanDerWaalsContact CG2-O 3.29Å; I294-V299 WeakPolarHBondContact CG2-O 3.26Å; I294-V299 PolarHBondContact O-N 3.11Å; I294-L301 HydrophobicContact CD1-CD2 3.97Å; I294-L301 HydrophobicContact CG2-CD2 4.41Å
295G97.9Very high97.8Very high54 Ų5456.8 Ų56.856%0.55729%0.292SS*.Hα-helixtrans-61.8-47.7179.500000112.7R291 R292 I293 K298R291-G295 PolarHBondContact O-N 2.99Å; R292-G295 PolarHBondContact O-N 3.11Å; I293-G295 PolarHBondContact O-N 3.34Å; G295-K298 PolarHBondContact O-N 3.23Å
296R97.6Very high97.8Very high126 Ų12654.5 Ų54.548%0.47529%0.285SS..Hα-helixtrans-65.9-40.6-179-172.5179.869.6-163.5-4.5112.5S263 E264 R292 I293 K298S263-R296 PolarHBondContact OG-NH1 2.96Å; E264-R296 VanDerWaalsContact CD-NH1 3.31Å; E264-R296 IonicContact OE1-CZ 2.69Å; E264-R296 IonicContact OE1-NE 3.79Å; E264-R296 IonicContact OE1-NH1 3.36Å; E264-R296 PolarHBondContact OE1-NH1 2.73Å; E264-R296 IonicContact OE1-NH2 3.67Å; E264-R296 IonicContact OE2-CZ 3.65Å; E264-R296 IonicContact OE2-NH1 2.7Å; E264-R296 PolarHBondContact OE2-NH1 3.29Å; E264-R296 IonicContact OE2-NH2 2.73Å; E264-R296 PolarHBondContact OE2-NH2 3.11Å; R292-R296 WeakPolarHBondContact O-CB 3.39Å; R292-R296 PolarHBondContact O-N 2.89Å; I293-R296 PolarHBondContact O-N 3.06Å; R296-K298 VanDerWaalsContact C-N 3.25Å; R296-K298 PolarHBondContact O-N 2.81Å
297C97.1Very high97.7Very high51 Ų5156 Ų5635%0.34529%0.291SS..THydrogen-bonded Turntrans-84.32.7179.2-65.90000113.3I112 I293 V299I112-C297 HydrophobicContact CG2-CB 4.21Å; I293-C297 VanDerWaalsContact O-CB 3.26Å; I293-C297 WeakPolarHBondContact O-CB 3.16Å; I293-C297 PolarHBondContact O-N 2.61Å; C297-V299 HydrophobicContact CB-CG2 3.96Å; C297-V299 PolarHBondContact O-N 3.31Å
298K97.2Very high97.6Very high189 Ų18957.5 Ų57.582%0.82230%0.296SS*.THydrogen-bonded Turntrans52.640.1-179.3-55.8-177.6-179.5-178.60113I294 G295 R296I294-K298 PolarHBondContact O-N 3.06Å; G295-K298 PolarHBondContact O-N 3.23Å; R296-K298 VanDerWaalsContact C-N 3.25Å; R296-K298 PolarHBondContact O-N 2.81Å
299V97.9Very high97.4Very high19 Ų1960 Ų6012%0.11531%0.305CS..  trans-77.2126.2178.1169.90000109.1S113 R117 I294 C297S113-V299 WeakPolarHBondContact OG-CG1 3.3Å; R117-V299 HydrophobicContact CG-CG1 4.21Å; I294-V299 HydrophobicContact CB-CB 4.4Å; I294-V299 HydrophobicContact CG1-CB 4.42Å; I294-V299 HydrophobicContact CG1-CG1 4.46Å; I294-V299 HydrophobicContact CG2-CB 4.04Å; I294-V299 HydrophobicContact CG2-CG1 4.4Å; I294-V299 VanDerWaalsContact CG2-O 3.29Å; I294-V299 WeakPolarHBondContact CG2-O 3.26Å; I294-V299 PolarHBondContact O-N 3.11Å; C297-V299 HydrophobicContact CB-CG2 3.96Å; C297-V299 PolarHBondContact O-N 3.31Å
300G97.2Very high97Very high26 Ų2661.2 Ų61.227%0.26832%0.315SS..  trans-77.1140.5168.800000110.7R117 D302 D303R117-G300 WeakPolarHBondContact CD-O 3.25Å; G300-D302 PolarHBondContact O-N 3.27Å; G300-D303 WeakPolarHBondContact CA-OD1 3.42Å; G300-D303 VanDerWaalsContact N-CG 3.33Å; G300-D303 PolarHBondContact N-OD2 3.01Å; G300-D303 WeakPolarHBondContact O-CB 3.45Å; G300-D303 VanDerWaalsContact O-CG 3.27Å; G300-D303 PolarHBondContact O-N 3.27Å
301L95.4Very high96.5Very high106 Ų10663.6 Ų63.656%0.55534%0.335SS*.THydrogen-bonded Turntrans-67.2-29.9176.7-66-179.2000112I294I294-L301 HydrophobicContact CD1-CD2 3.97Å; I294-L301 HydrophobicContact CG2-CD2 4.41Å
302D95.7Very high96.1Very high136 Ų13660.5 Ų60.573%0.72733%0.334SS*.THydrogen-bonded Turntrans-92.11.8178.9-57.9-52.2000113.9R154 G300R154-D302 PolarHBondContact NH1-O 3.21Å; R154-D302 VanDerWaalsContact NH1-O 3.16Å; G300-D302 PolarHBondContact O-N 3.27Å
303D97.2Very high95.5Very high59 Ų5961.5 Ų61.532%0.31634%0.343SS..PPolyproline II helixtrans-52.5141.3176.5-76.4-8.1000110.2S113 R117 G300 Y305S113-D303 PolarHBondContact OG-OD2 3.01Å; R117-D303 VanDerWaalsContact CZ-O 3.27Å; R117-D303 PolarHBondContact NH1-O 2.75Å; R117-D303 PolarHBondContact NH2-O 2.79Å; R117-D303 VanDerWaalsContact NH2-O 3.17Å; G300-D303 WeakPolarHBondContact CA-OD1 3.42Å; G300-D303 VanDerWaalsContact N-CG 3.33Å; G300-D303 PolarHBondContact N-OD2 3.01Å; G300-D303 WeakPolarHBondContact O-CB 3.45Å; G300-D303 VanDerWaalsContact O-CG 3.27Å; G300-D303 PolarHBondContact O-N 3.27Å; D303-Y305 PolarHBondContact O-N 3.19Å
304P97.2Very high94.9Very high59 Ų5968.5 Ų68.538%0.38337%0.369SS..PPolyproline II helixtrans-60140.3175.927.1-34000110.3R117 E308 I309R117-P304 PolarHBondContact NH2-O 2.7Å; P304-E308 WeakPolarHBondContact CA-OE2 3.14Å; P304-E308 HydrophobicContact CB-CB 4.1Å; P304-I309 HydrophobicContact CB-CG1 3.84Å; P304-I309 HydrophobicContact CG-CD1 4.08Å; P304-I309 HydrophobicContact CG-CG1 3.75Å
305Y98.1Very high94.1Very high9 Ų971.7 Ų71.74%0.03539%0.393CS..PPolyproline II helixtrans-71.2159.1168.4-70.6-69.4000110.5T114 R117 L118 Q121 R154 D303 W307 E308 I309T114-Y305 HydrophobicContact CG2-CD1 3.84Å; T114-Y305 WeakPolarHBondContact OG1-CA 3.43Å; R117-Y305 HydrophobicContact CB-CE1 4.08Å; R117-Y305 VanDerWaalsContact NH1-CE1 3.32Å; L118-Y305 HydrophobicContact CD2-CE1 4.32Å; L118-Y305 HydrophobicContact CG-CE1 4.23Å; Q121-Y305 PolarHBondContact NE2-OH 3.37Å; R154-Y305 HydrophobicContact CB-CE2 3.98Å; R154-Y305 HydrophobicContact CG-CD2 4.24Å; R154-Y305 HydrophobicContact CG-CE2 4.05Å; D303-Y305 PolarHBondContact O-N 3.19Å; Y305-W307 AromaticContact CD1-CH2 3.62Å; Y305-W307 HydrophobicContact CD1-CH2 3.62Å; Y305-W307 AromaticContact CD1-CZ2 3.85Å; Y305-W307 HydrophobicContact CD1-CZ2 3.85Å; Y305-W307 HydrophobicContact CD1-CZ3 4.35Å; Y305-W307 HydrophobicContact CD2-CH2 4.19Å; Y305-W307 AromaticContact CD2-CZ2 3.53Å; Y305-W307 HydrophobicContact CD2-CZ2 3.53Å; Y305-W307 HydrophobicContact CE1-CH2 4.25Å; Y305-W307 HydrophobicContact CE1-CZ2 4.49Å; Y305-W307 HydrophobicContact CE2-CZ2 4.24Å; Y305-W307 AromaticContact CG-CE2 3.84Å; Y305-W307 AromaticContact CG-CH2 3.57Å; Y305-W307 HydrophobicContact CG-CH2 3.57Å; Y305-W307 AromaticContact CG-CZ2 3.3Å; Y305-W307 HydrophobicContact CG-CZ2 3.3Å; Y305-W307 HydrophobicContact CG-CZ3 4.35Å; Y305-W307 PolarHBondContact O-N 3.39Å; Y305-W307 VanDerWaalsContact O-N 3.1Å; Y305-E308 PolarHBondContact N-OE2 3.15Å; Y305-E308 WeakPolarHBondContact O-CA 3.36Å; Y305-E308 WeakPolarHBondContact O-CB 3.33Å; Y305-E308 PolarHBondContact O-N 3.17Å; Y305-I309 PolarHBondContact O-N 2.95Å; Y305-I309 VanDerWaalsContact O-N 3.11Å
306D98Very high93.2Very high28 Ų2874.3 Ų74.315%0.1539%0.394CS..Hα-helixtrans-57-34.3-175.1-61.7-6.7000112.7T105 F110 S111 T114 A310T105-D306 HydrophobicContact CG2-CB 4.34Å; F110-D306 WeakPolarHBondContact CA-OD2 3.46Å; F110-D306 HydrophobicContact CD1-CB 4.47Å; F110-D306 WeakPolarHBondContact CD1-OD2 3.44Å; S111-D306 VanDerWaalsContact CB-OD1 3.3Å; S111-D306 WeakPolarHBondContact CB-OD1 3.17Å; S111-D306 PolarHBondContact N-OD2 3.48Å; S111-D306 PolarHBondContact OG-OD1 2.93Å; T114-D306 WeakPolarHBondContact CB-OD1 3.48Å; T114-D306 PolarHBondContact OG1-N 2.8Å; T114-D306 PolarHBondContact OG1-OD1 2.85Å; D306-A310 WeakPolarHBondContact O-CB 3.46Å; D306-A310 PolarHBondContact O-N 2.64Å
307W96.4Very high92.2Very high31 Ų3172.4 Ų72.412%0.11740%0.4CS..Hα-helixtrans-75.2-23.6176.556.283.6000113.7L101 F110 T114 L118 I146 Y305 A311L101-W307 HydrophobicContact CB-CE3 4.01Å; L101-W307 HydrophobicContact CB-CZ3 4.3Å; L101-W307 HydrophobicContact CD1-CD2 4.38Å; L101-W307 HydrophobicContact CD1-CE3 4.27Å; L101-W307 HydrophobicContact CD1-CH2 4.37Å; L101-W307 HydrophobicContact CD1-CZ2 4.45Å; L101-W307 HydrophobicContact CD1-CZ3 4.26Å; L101-W307 HydrophobicContact CD2-CB 3.89Å; L101-W307 HydrophobicContact CD2-CD2 3.62Å; L101-W307 HydrophobicContact CD2-CE3 3.84Å; L101-W307 HydrophobicContact CD2-CG 3.64Å; L101-W307 HydrophobicContact CG-CD2 4.44Å; L101-W307 HydrophobicContact CG-CE3 4.27Å; F110-W307 HydrophobicContact CD1-CZ3 4.38Å; F110-W307 AromaticContact CE1-CE3 3.95Å; F110-W307 HydrophobicContact CE1-CE3 3.95Å; F110-W307 AromaticContact CE1-CZ3 3.72Å; F110-W307 HydrophobicContact CE1-CZ3 3.72Å; F110-W307 HydrophobicContact CZ-CE3 4.5Å; F110-W307 AromaticContact CZ-CZ3 3.97Å; F110-W307 HydrophobicContact CZ-CZ3 3.97Å; T114-W307 HydrophobicContact CG2-CE3 4.42Å; T114-W307 HydrophobicContact CG2-CH2 4.06Å; T114-W307 HydrophobicContact CG2-CZ3 3.58Å; L118-W307 HydrophobicContact CD1-CH2 3.93Å; L118-W307 HydrophobicContact CD1-CZ3 4.04Å; L118-W307 HydrophobicContact CD2-CH2 3.96Å; L118-W307 HydrophobicContact CG-CH2 4.22Å; I146-W307 HydrophobicContact CG2-CH2 4.43Å; I146-W307 HydrophobicContact CG2-CZ2 3.85Å; Y305-W307 AromaticContact CD1-CH2 3.62Å; Y305-W307 HydrophobicContact CD1-CH2 3.62Å; Y305-W307 AromaticContact CD1-CZ2 3.85Å; Y305-W307 HydrophobicContact CD1-CZ2 3.85Å; Y305-W307 HydrophobicContact CD1-CZ3 4.35Å; Y305-W307 HydrophobicContact CD2-CH2 4.19Å; Y305-W307 AromaticContact CD2-CZ2 3.53Å; Y305-W307 HydrophobicContact CD2-CZ2 3.53Å; Y305-W307 HydrophobicContact CE1-CH2 4.25Å; Y305-W307 HydrophobicContact CE1-CZ2 4.49Å; Y305-W307 HydrophobicContact CE2-CZ2 4.24Å; Y305-W307 AromaticContact CG-CE2 3.84Å; Y305-W307 AromaticContact CG-CH2 3.57Å; Y305-W307 HydrophobicContact CG-CH2 3.57Å; Y305-W307 AromaticContact CG-CZ2 3.3Å; Y305-W307 HydrophobicContact CG-CZ2 3.3Å; Y305-W307 HydrophobicContact CG-CZ3 4.35Å; Y305-W307 PolarHBondContact O-N 3.39Å; Y305-W307 VanDerWaalsContact O-N 3.1Å; W307-A311 WeakPolarHBondContact O-CB 3.35Å; W307-A311 PolarHBondContact O-N 3.41Å; W307-A311 VanDerWaalsContact O-N 3.07Å
308E96Very high91Very high43 Ų4374.1 Ų74.120%0.20142%0.417CS..Hα-helixtrans-74.8-41173.9-61.4179.8137.300110.3R154 P304 Y305 A311 S312R154-E308 WeakPolarHBondContact CG-OE1 3.39Å; R154-E308 IonicContact CZ-OE1 2.69Å; R154-E308 IonicContact CZ-OE2 3.33Å; R154-E308 IonicContact NE-OE1 3.54Å; R154-E308 PolarHBondContact NE-OE1 3.41Å; R154-E308 IonicContact NE-OE2 3.31Å; R154-E308 PolarHBondContact NE-OE2 2.7Å; R154-E308 IonicContact NH2-OE1 3.6Å; R154-E308 PolarHBondContact NH2-OE1 2.7Å; R154-E308 IonicContact NH2-OE2 3.8Å; R154-E308 PolarHBondContact NH2-OE2 3.22Å; P304-E308 WeakPolarHBondContact CA-OE2 3.14Å; P304-E308 HydrophobicContact CB-CB 4.1Å; Y305-E308 PolarHBondContact N-OE2 3.15Å; Y305-E308 WeakPolarHBondContact O-CA 3.36Å; Y305-E308 WeakPolarHBondContact O-CB 3.33Å; Y305-E308 PolarHBondContact O-N 3.17Å; E308-A311 PolarHBondContact O-N 3.03Å; E308-S312 PolarHBondContact O-N 3.27Å
309I94.5Very high89.4Confident70 Ų7069.1 Ų69.136%0.35941%0.406SS..Hα-helixtrans-60-51.6172.9-58.3173.4000109.7P304 Y305 A311 S312 E313P304-I309 HydrophobicContact CB-CG1 3.84Å; P304-I309 HydrophobicContact CG-CD1 4.08Å; P304-I309 HydrophobicContact CG-CG1 3.75Å; Y305-I309 PolarHBondContact O-N 2.95Å; Y305-I309 VanDerWaalsContact O-N 3.11Å; I309-A311 VanDerWaalsContact C-N 3.26Å; I309-A311 PolarHBondContact O-N 3.12Å; I309-S312 PolarHBondContact O-N 3.14Å; I309-S312 VanDerWaalsContact O-N 3.11Å; I309-E313 HydrophobicContact CG2-CG 4.38Å; I309-E313 WeakPolarHBondContact O-CG 3.2Å; I309-E313 PolarHBondContact O-N 2.94Å
310A90.9Very high87.4Confident26 Ų2673.3 Ų73.322%0.21543%0.431CS..Hα-helixtrans-60.9-34.218000000112.9D306 R314D306-A310 WeakPolarHBondContact O-CB 3.46Å; D306-A310 PolarHBondContact O-N 2.64Å; A310-R314 VanDerWaalsContact O-CG 3.25Å; A310-R314 WeakPolarHBondContact O-CG 3.43Å; A310-R314 PolarHBondContact O-N 3.08Å
311A89.2Confident85Confident49 Ų4977.2 Ų77.241%0.40545%0.452SS..Hα-helixtrans-68.2-45.2174.500000111.5W307 E308 I309 E313 R314 S315W307-A311 WeakPolarHBondContact O-CB 3.35Å; W307-A311 PolarHBondContact O-N 3.41Å; W307-A311 VanDerWaalsContact O-N 3.07Å; E308-A311 PolarHBondContact O-N 3.03Å; I309-A311 VanDerWaalsContact C-N 3.26Å; I309-A311 PolarHBondContact O-N 3.12Å; A311-E313 PolarHBondContact O-N 3.34Å; A311-R314 PolarHBondContact O-N 3.29Å; A311-S315 PolarHBondContact O-N 3.47Å; A311-S315 PolarHBondContact O-OG 3.42Å
312S88.5Confident82.5Confident70 Ų7081.3 Ų81.349%0.4947%0.471SS..Hα-helixtrans-61.3-43.4177.8-171.90000112.4E308 I309 S315 L316E308-S312 PolarHBondContact O-N 3.27Å; I309-S312 PolarHBondContact O-N 3.14Å; I309-S312 VanDerWaalsContact O-N 3.11Å; S312-S315 PolarHBondContact O-N 3.44Å; S312-L316 WeakPolarHBondContact O-CG 3.42Å; S312-L316 PolarHBondContact O-N 3.49Å
313E87.4Confident79.8Confident123 Ų12378.7 Ų78.758%0.57547%0.468SS*.Hα-helixtrans-63.9-40.4177.7-71.2175.7173.200111.9I309 A311 L316 S317I309-E313 HydrophobicContact CG2-CG 4.38Å; I309-E313 WeakPolarHBondContact O-CG 3.2Å; I309-E313 PolarHBondContact O-N 2.94Å; A311-E313 PolarHBondContact O-N 3.34Å; E313-L316 PolarHBondContact O-N 3.48Å; E313-S317 WeakPolarHBondContact O-CB 3.5Å; E313-S317 PolarHBondContact O-N 2.74Å; E313-S317 PolarHBondContact O-OG 3.14Å
314R84.4Confident76.7Confident149 Ų14982.8 Ų82.856%0.56250%0.495SS*.Hα-helixtrans-63.1-45.2174.6-73175.1-150.6176.15.5111.5A310 A311 L316 S317 A318A310-R314 VanDerWaalsContact O-CG 3.25Å; A310-R314 WeakPolarHBondContact O-CG 3.43Å; A310-R314 PolarHBondContact O-N 3.08Å; A311-R314 PolarHBondContact O-N 3.29Å; R314-L316 VanDerWaalsContact C-N 3.34Å; R314-L316 PolarHBondContact O-N 3.46Å; R314-S317 PolarHBondContact O-N 3.45Å; R314-S317 PolarHBondContact O-OG 2.8Å; R314-A318 PolarHBondContact O-N 3.02Å
315S82.7Confident73.9Confident83 Ų8387.1 Ų87.158%0.5851%0.514SS*.Hα-helixtrans-60.6-41.4177.5-65.50000112.5A311 S312 A318 S319A311-S315 PolarHBondContact O-N 3.47Å; A311-S315 PolarHBondContact O-OG 3.42Å; S312-S315 PolarHBondContact O-N 3.44Å; S315-A318 PolarHBondContact O-N 3.29Å; S315-S319 PolarHBondContact O-N 3Å; S315-S319 PolarHBondContact O-OG 3.45Å
316L79.5Confident70.7Confident109 Ų10991.3 Ų91.357%0.57155%0.545SS*.Hα-helixtrans-64.5-45.3175.8-73.6163.4000111.6S312 E313 R314 A318 S319S312-L316 WeakPolarHBondContact O-CG 3.42Å; S312-L316 PolarHBondContact O-N 3.49Å; E313-L316 PolarHBondContact O-N 3.48Å; R314-L316 VanDerWaalsContact C-N 3.34Å; R314-L316 PolarHBondContact O-N 3.46Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 3.42Å; L316-S319 PolarHBondContact O-N 3.42Å; L316-S319 VanDerWaalsContact O-N 3.14Å; L316-S319 PolarHBondContact O-OG 3.1Å
317S75.3Confident67.5Low86 Ų8698.5 Ų98.560%0.60158%0.577SS**Hα-helixtrans-63.5-33.2179.571.80000113.5E313 R314 S319E313-S317 WeakPolarHBondContact O-CB 3.5Å; E313-S317 PolarHBondContact O-N 2.74Å; E313-S317 PolarHBondContact O-OG 3.14Å; R314-S317 PolarHBondContact O-N 3.45Å; R314-S317 PolarHBondContact O-OG 2.8Å; S317-S319 VanDerWaalsContact C-N 3.29Å; S317-S319 PolarHBondContact O-N 3.04Å
318A72Confident64.4Low87 Ų87104.2 Ų104.272%0.71961%0.61SS**Hα-helixtrans-74.2-17.2177.200000113.8R314 S315 L316R314-A318 PolarHBondContact O-N 3.02Å; S315-A318 PolarHBondContact O-N 3.29Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 3.42Å
319S65.1Low61.4Low83 Ų83105.2 Ų105.258%0.5863%0.632SS**THydrogen-bonded Turntrans-93.7-6.1-174.863.70000115S315 L316 S317S315-S319 PolarHBondContact O-N 3Å; S315-S319 PolarHBondContact O-OG 3.45Å; L316-S319 PolarHBondContact O-N 3.42Å; L316-S319 VanDerWaalsContact O-N 3.14Å; L316-S319 PolarHBondContact O-OG 3.1Å; S317-S319 VanDerWaalsContact C-N 3.29Å; S317-S319 PolarHBondContact O-N 3.04Å
320V55Low58.4Low107 Ų107109.4 Ų109.465%0.64866%0.655SS**SBendtrans-90.4118.5175.8-174.30000109M322V320-M322 PolarHBondContact O-N 3.45Å
321P46.3Very low55.5Low109 Ų109116.1 Ų116.171%0.70869%0.687SS**  trans-61.2132.6171.8-11.224.7000108.4A323P321-A323 VanDerWaalsContact C-N 3.29Å; P321-A323 PolarHBondContact O-N 3.35Å
322M43.2Very low52.6Low191 Ų191119.8 Ų119.894%0.94171%0.705SS**  trans-57.495.3168.9-90.5-101-104.300108.4V320 T324V320-M322 PolarHBondContact O-N 3.45Å; M322-T324 PolarHBondContact O-N 3.35Å
323A39.5Very low49.8Very low82 Ų82126.1 Ų126.168%0.67872%0.723SS**  trans-63.1120.8168.500000107.1P321 I325P321-A323 VanDerWaalsContact C-N 3.29Å; P321-A323 PolarHBondContact O-N 3.35Å; A323-I325 PolarHBondContact O-N 3.08Å
324T32.8Very low47.1Very low144 Ų144128.1 Ų128.188%0.88374%0.737SS**  trans-54.8105.2175.8-16.60000108.5M322 S326M322-T324 PolarHBondContact O-N 3.35Å; T324-S326 PolarHBondContact O-N 3.17Å
325I37.4Very low44.2Very low150 Ų150128.6 Ų128.677%0.76975%0.75SS**  trans-72101.2172.6-61.9177.2000106.7A323 H327A323-I325 PolarHBondContact O-N 3.08Å; I325-H327 PolarHBondContact O-N 2.77Å
326S30.1Very low41.6Very low98 Ų98131.9 Ų131.969%0.68576%0.761SS**  trans-63.9118.1157.9149.60000107.1T324 N328T324-S326 PolarHBondContact O-N 3.17Å; S326-N328 PolarHBondContact O-N 3.11Å; S326-N328 VanDerWaalsContact O-N 3.13Å
327H31.6Very low39.1Very low178 Ų178131.1 Ų131.182%0.82477%0.771SS**  trans-62.1110.9167.8-89.5-59.4000108.9I325I325-H327 PolarHBondContact O-N 2.77Å
328N31.5Very low36.9Very low151 Ų151137.6 Ų137.681%0.80778%0.783SS**  trans-134.2135.7145.1-95.7-17.4000107.4S326S326-N328 PolarHBondContact O-N 3.11Å; S326-N328 VanDerWaalsContact O-N 3.13Å
329G32.6Very low35Very low65 Ų65138.4 Ų138.467%0.6778%0.781SS**  trans-57.4138.5-171.900000112.1
330D31.9Very low33.4Very low157 Ų157139.9 Ų139.984%0.8479%0.789SS**  179.1150116.4-80.6-26.2000108.9V332D330-V332 PolarHBondContact O-N 3.23Å
331D29.2Very low32.2Very low167 Ų167143.2 Ų143.289%0.89380%0.802SS**  trans-43.6115.4-170.3-76.2-52.2000115.7
332V29.6Very low31.5Very low127 Ų127145.3 Ų145.377%0.7781%0.807SS**  trans-108.798.2162.6-1770000109.3D330 L334D330-V332 PolarHBondContact O-N 3.23Å; V332-L334 PolarHBondContact O-N 3.2Å; V332-L334 VanDerWaalsContact O-N 3.14Å
333K28.3Very low31Very low203 Ų203144.8 Ų144.888%0.88380%0.799SS**  trans-65.6105.1162.8-87.4177176171.10109.1L335K333-L335 PolarHBondContact O-N 3.35Å
334L30.5Very low30.4Very low164 Ų164149.7 Ų149.786%0.85981%0.808SS**  trans-66.6108.9168.1-86.3160.7000110.5V332 N336V332-L334 PolarHBondContact O-N 3.2Å; V332-L334 VanDerWaalsContact O-N 3.14Å; L334-N336 PolarHBondContact O-N 2.94Å
335L25.4Very low30.4Very low159 Ų159149 Ų14983%0.83280%0.804SS**  trans-67.6109.7156.8-85149.9000108.6K333K333-L335 PolarHBondContact O-N 3.35Å
336N26.3Very low30.2Very low152 Ų152147 Ų14781%0.81380%0.804SS**  trans179.990.6141.1-92.4-22.3000110.2L334L334-N336 PolarHBondContact O-N 2.94Å
337A28.4Very low30.3Very low94 Ų94154 Ų15478%0.77782%0.815SS**  trans-136.993.5161.100000107.9P339A337-P339 WeakPolarHBondContact O-CD 3.45Å
338Y27.8Very low30.1Very low221 Ų221149.3 Ų149.387%0.86781%0.814SS**PPolyproline II helixtrans-72118.2155-77.8-83.4000106.5
339P32.6Very low30Very low105 Ų105150.7 Ų150.768%0.68282%0.816SS**PPolyproline II helixtrans-68.4149.8178.827.9-31.4000109.5A337 L341A337-P339 WeakPolarHBondContact O-CD 3.45Å; P339-L341 PolarHBondContact O-N 3.22Å
340P31.4Very low29.7Very low114 Ų114159.8 Ų159.874%0.7483%0.83SS**PPolyproline II helixtrans-60.4134.116927.9-31.9000108L342P340-L342 VanDerWaalsContact C-N 3.29Å; P340-L342 PolarHBondContact O-N 3.35Å
341L30.7Very low29.6Very low176 Ų176157.4 Ų157.492%0.92182%0.821SS**  trans-58.696.1170.9-74.2169.3000108.5P339 F343P339-L341 PolarHBondContact O-N 3.22Å; L341-F343 PolarHBondContact O-N 2.78Å
342L31Very low29.5Very low154 Ų154161.2 Ų161.281%0.80682%0.823SS**  trans-67117.8165.1-88.2161.9000107.3P340 Q344P340-L342 VanDerWaalsContact C-N 3.29Å; P340-L342 PolarHBondContact O-N 3.35Å; L342-Q344 PolarHBondContact O-N 3.09Å
343F31.9Very low29.6Very low179 Ų179160.4 Ų160.479%0.78582%0.818SS**  trans-54.3105161.7-104.8-97.9000108.5L341 T345L341-F343 PolarHBondContact O-N 2.78Å; F343-T345 PolarHBondContact O-N 3.06Å
344Q28.1Very low29.6Very low186 Ų186156.3 Ų156.387%0.86982%0.815SS**  trans-73.2101.4158.9-76.1-175.2-11.800107L342 S346L342-Q344 PolarHBondContact O-N 3.09Å; Q344-S346 PolarHBondContact O-N 2.96Å
345T31.3Very low29.6Very low129 Ų129156.1 Ų156.179%0.79181%0.814SS**  trans-70109.516050.30000107.5F343 R347F343-T345 PolarHBondContact O-N 3.06Å; T345-R347 PolarHBondContact O-N 3.02Å
346S33.1Very low29.9Very low109 Ų109157.8 Ų157.876%0.76282%0.815SS**  trans-65.2115.6171.2500000109.9Q344Q344-S346 PolarHBondContact O-N 2.96Å
347R32.4Very low30Very low245 Ų245161.5 Ų161.593%0.92582%0.817SS**  trans51.498.1143.4-64.5-178177.2-174.1-1.1117.5T345T345-R347 PolarHBondContact O-N 3.02Å
348G27.3Very low30Very low78 Ų78168.4 Ų168.480%0.80482%0.823SS**  55.690.3115.600000118.6
349Q30.1Very low30.1Very low181 Ų181168.8 Ų168.885%0.84682%0.823SS**  trans-141.9105.7138.8-99.1179.5-100108.9V351Q349-V351 VanDerWaalsContact C-N 3.35Å; Q349-V351 PolarHBondContact O-N 3.39Å
350R26Very low29.9Very low256 Ų256171 Ų17197%0.96683%0.827SS**  trans-7093.6163.5-84.6-178.9173.5-177.4-1.2107.8
351V31.2Very low29.8Very low107 Ų107171.3 Ų171.365%0.64883%0.831SS**  trans-86.6108.3159.6-176.80000106.8Q349 T353Q349-V351 VanDerWaalsContact C-N 3.35Å; Q349-V351 PolarHBondContact O-N 3.39Å; V351-T353 HydrophobicContact CG1-CG2 4.1Å; V351-T353 PolarHBondContact O-N 3.22Å; V351-T353 VanDerWaalsContact O-N 3.09Å
352R26.8Very low29.5Very low247 Ų247172 Ų17293%0.93283%0.827SS**  trans-65.7100.8166.5-82.5178167.5173.6-3.3108.2
353T31.1Very low29.4Very low109 Ų109176.4 Ų176.467%0.66983%0.833SS**  trans-95114.5162.5520000109.2V351 L355V351-T353 HydrophobicContact CG1-CG2 4.1Å; V351-T353 PolarHBondContact O-N 3.22Å; V351-T353 VanDerWaalsContact O-N 3.09Å; T353-L355 PolarHBondContact O-N 3.18Å
354S28.5Very low29.2Very low118 Ų118176.6 Ų176.683%0.82584%0.836SS**  trans-68.5101.8172.648.90000110.3K356S354-K356 PolarHBondContact O-N 3.13Å; S354-K356 VanDerWaalsContact O-N 3.08Å
355L31Very low29.1Very low159 Ų159172.1 Ų172.183%0.83283%0.831SS**  trans-72.899.5163.5-96.1111.2000109.2T353 R357T353-L355 PolarHBondContact O-N 3.18Å; L355-R357 PolarHBondContact O-N 3.37Å; L355-R357 VanDerWaalsContact O-N 3.11Å
356K30.6Very low29.1Very low195 Ų195175.2 Ų175.285%0.84884%0.836SS**  trans-57110.3157.9-86.9179.3175.6175.70108.3S354 R358S354-K356 PolarHBondContact O-N 3.13Å; S354-K356 VanDerWaalsContact O-N 3.08Å; K356-R358 PolarHBondContact O-N 3.14Å; K356-R358 VanDerWaalsContact O-N 3.1Å
357R28.7Very low28.9Very low229 Ų229174.4 Ų174.486%0.86483%0.831SS**  trans-55.2107.6165.1-73.6175.8169.8180-3.7109.3L355L355-R357 PolarHBondContact O-N 3.37Å; L355-R357 VanDerWaalsContact O-N 3.11Å
358R29Very low28.9Very low239 Ų239172.3 Ų172.390%0.90283%0.828SS**  trans-87.7103.4154.3-86.9-174.2172.3-176.4-1.1107.8K356 I360K356-R358 PolarHBondContact O-N 3.14Å; K356-R358 VanDerWaalsContact O-N 3.1Å; R358-I360 PolarHBondContact O-N 3.29Å
359R28.8Very low29.1Very low229 Ų229173 Ų17386%0.86482%0.821SS**  trans-68.1117.2162.4-79.2177.8167.7175.1-4.1107.5
360I29.5Very low29.3Very low151 Ų151174.4 Ų174.477%0.77483%0.825SS**  trans-108.8109.9157.4-65.3175.5000105R358R358-I360 PolarHBondContact O-N 3.29Å
361C28.2Very low29.7Very low121 Ų121165.7 Ų165.782%0.81882%0.815SS**  trans-92.2122.6-178.9-147.40000108
362F25Very low29.7Very low190 Ų190167.1 Ų167.183%0.83382%0.824SS**  trans-85.2123.5161.5-101-90.7000108.4
363R28.3Very low30.2Very low248 Ų248165 Ų16594%0.93683%0.825SS**  trans-144.9128.4149.8-98.4-169.3176.4-168.3-2.2109.9
364Q28.5Very low30.2Very low183 Ų183170.3 Ų170.386%0.85583%0.832SS**  trans-73.6150.6178.6-78.3170-39.800112.6
365A25.5Very low30.6Very low92 Ų92174.9 Ų174.976%0.7684%0.838SS**  trans49.4120.4140.500000120.1
366Q30.8Very low30.8Very low193 Ų193175.9 Ų175.990%0.90284%0.838SS**  -172.4157.1106.6-98.7-171.48.600112.8
367S28.6Very low31.1Very low92 Ų92170.2 Ų170.264%0.64384%0.835SS**  trans-51148.7-175.357.30000118.2
368K33.6Very low31.5Very low201 Ų201168 Ų16887%0.87484%0.835SS**  176.7145.6105.9-95.9177.1-177.5179.60112.6
369S30.6Very low31.9Very low94 Ų94161.5 Ų161.566%0.65783%0.832SS**  trans-66147.3177.449.40000115.8
370F33.9Very low32.7Very low209 Ų209160.1 Ų160.192%0.91783%0.832SS**  151.1136.1121.7-97.9-82.8000111.3
371G35.4Very low33.3Very low74 Ų74159.4 Ų159.476%0.76384%0.835SS**  trans153.571.7169.800000114.7
372T32.2Very low34.2Very low137 Ų137160 Ų16084%0.8484%0.839SS**  trans-43.6136.4166.233.10000115.2
373Q36.5Very low35.4Very low201 Ų201166.3 Ų166.394%0.93986%0.857SS**  -158.4134.5126.8-108.3176.89.300112.1
374R31.2Very low35.8Very low221 Ų221162.2 Ų162.283%0.83485%0.853SS**  trans-62.2147.3-177.9-70.1169166.5172.3-6.3112.4
375F36.5Very low36.2Very low215 Ų215161.1 Ų161.194%0.94385%0.853SS**  -151129.6128.2-107.4-79.2000109.8
376E34.4Very low36.8Very low180 Ų180164.9 Ų164.984%0.84186%0.858SS**  trans-74153.3-179.7-65.5165.4147.400111.4
377G37.2Very low37.1Very low75 Ų75163.3 Ų163.377%0.77386%0.856SS**  trans174.859.7175.200000116.5
378Q38.7Very low37.7Very low184 Ų184167.8 Ų167.886%0.8687%0.869SS**  trans40.2112.8149.7-66.2-177.2-11.500120.9
379A36.1Very low37.9Very low102 Ų102165.5 Ų165.584%0.84387%0.869SS**  trans-76.9135.5151.700000110.6
380K45.6Very low38.5Very low200 Ų200170.6 Ų170.687%0.8788%0.884SS**  trans-110.6117.5157.6-84.8-174.1178.3178.90108.9
381T42.2Very low38.8Very low136 Ų136167.7 Ų167.783%0.83488%0.881SS**  trans-70.7143159.134.10000109.9
382C46.4Very low39.1Very low134 Ų134175.5 Ų175.591%0.90589%0.891SS**  trans-134.7136.3148.5-95.20000108.5
383R51.9Low39.7Very low321 Ų321179 Ų179100%1.21190%0.896SS**  trans-65.90176.1-76.4177.3170.9-175.4-3.3112.1

Retrieved 383 of 383 residues in 142.9 ms (Link to these results)

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