A0A3Q0KPH8_SCHMA Loading...

Ras-like family

AlphaFold DB , UniProt , Accession A0A3Q0KPH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 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
1M71.7Confident82.4Confident151 Ų15196.4 Ų96.474%0.74447%0.474SS*.  0128.80-171.2177.487.400107.8I8 Y9 Y10M1-I8 HydrophobicContact CE-CD1 4.27Å; M1-I8 HydrophobicContact CE-CG2 4.13Å; M1-I8 HydrophobicContact CG-CG2 3.28Å; M1-I8 HydrophobicContact SD-CD1 4.44Å; M1-I8 HydrophobicContact SD-CG2 3.29Å; M1-I8 WeakPolarHBondContact SD-CG2 3.35Å; M1-Y9 WeakPolarHBondContact CA-O 3.22Å; M1-Y10 HydrophobicContact SD-CE1 4.46Å
2I78.6Confident83Confident44 Ų44106 Ų10623%0.22650%0.501CS..EExtended strand (participates in β ladder)trans-117.5128.1179.3-59.7179.7000107.6Y9 V11 F167 M171I2-Y9 PolarHBondContact N-O 3.17Å; I2-Y9 PolarHBondContact O-N 2.77Å; I2-V11 HydrophobicContact CD1-CB 4.27Å; I2-V11 HydrophobicContact CD1-CG2 3.98Å; I2-V11 HydrophobicContact CG1-CG2 4.38Å; I2-F167 HydrophobicContact CD1-CB 4.45Å; I2-F167 HydrophobicContact CD1-CD1 4.21Å; I2-M171 HydrophobicContact CD1-SD 4.5Å; I2-M171 HydrophobicContact CG2-CG 4.04Å
3S81.3Confident83.7Confident87 Ų87106.2 Ų106.261%0.60851%0.506SS*.EExtended strand (participates in β ladder)trans-92.5126.1170.2-175.70000109.3R7S3-R7 WeakPolarHBondContact CA-O 3.49Å
4F83.2Confident84.4Confident23 Ų23103.8 Ų103.810%0.10150%0.497CS..EExtended strand (participates in β ladder)trans-147.2126.4178.2-177.3-102.5000109.4D6 R7 Y9 R168 M171 R172 E175F4-D6 VanDerWaalsContact C-N 3.32Å; F4-D6 PolarHBondContact O-N 2.91Å; F4-R7 PolarHBondContact N-O 2.96Å; F4-R7 WeakPolarHBondContact O-CB 3.37Å; F4-R7 PolarHBondContact O-N 2.97Å; F4-Y9 HydrophobicContact CB-CD2 4.25Å; F4-Y9 HydrophobicContact CB-CE2 3.99Å; F4-Y9 HydrophobicContact CD1-CE2 4.42Å; F4-R168 HydrophobicContact CD2-CG 4.33Å; F4-R168 HydrophobicContact CE2-CG 3.73Å; F4-M171 HydrophobicContact CB-CB 4.01Å; F4-M171 HydrophobicContact CB-CG 4.17Å; F4-M171 HydrophobicContact CD1-CB 3.64Å; F4-M171 HydrophobicContact CD2-CB 3.95Å; F4-M171 HydrophobicContact CE1-CB 4.03Å; F4-M171 HydrophobicContact CE2-CB 4.34Å; F4-M171 HydrophobicContact CG-CB 3.59Å; F4-M171 HydrophobicContact CG-CG 4.26Å; F4-M171 HydrophobicContact CZ-CB 4.38Å; F4-R172 HydrophobicContact CE1-CB 4.42Å; F4-R172 HydrophobicContact CZ-CB 3.94Å; F4-R172 HydrophobicContact CZ-CG 4.45Å; F4-E175 VanDerWaalsContact CE1-OE2 3.27Å; F4-E175 WeakPolarHBondContact CE1-OE2 3.41Å
5N84.6Confident85Confident97 Ų97107.5 Ų107.552%0.51952%0.52SS..THydrogen-bonded Turntrans48.649.8-177.1-65.3-13.1000113.2R7 E175N5-R7 PolarHBondContact O-N 3.25Å; N5-E175 PolarHBondContact ND2-OE2 2.93Å
6D82.3Confident85.3Confident165 Ų165103.3 Ų103.388%0.88251%0.505SS*.THydrogen-bonded Turntrans59.310.7-178.7-53.6-39.5000115.4F4F4-D6 VanDerWaalsContact C-N 3.32Å; F4-D6 PolarHBondContact O-N 2.91Å
7R83Confident85.7Confident112 Ų112101.5 Ų101.542%0.42350%0.503SS..EExtended strand (participates in β ladder)trans-105.2141.2172.6-65.6-179.6179.7-163.1-0110.6S3 F4 N5 Y9 E178S3-R7 WeakPolarHBondContact CA-O 3.49Å; F4-R7 PolarHBondContact N-O 2.96Å; F4-R7 WeakPolarHBondContact O-CB 3.37Å; F4-R7 PolarHBondContact O-N 2.97Å; N5-R7 PolarHBondContact O-N 3.25Å; R7-Y9 HydrophobicContact CB-CD2 4.2Å; R7-Y9 HydrophobicContact CB-CE2 3.54Å; R7-E178 IonicContact NH1-OE1 3.88Å; R7-E178 IonicContact NH1-OE2 3.29Å; R7-E178 PolarHBondContact NH1-OE2 2.88Å
8I83.7Confident86.1Confident95 Ų95100.7 Ų100.749%0.48751%0.506SS..EExtended strand (participates in β ladder)trans-98.1120.2176.2-66.3179.4000108.8M1 Y10M1-I8 HydrophobicContact CE-CD1 4.27Å; M1-I8 HydrophobicContact CE-CG2 4.13Å; M1-I8 HydrophobicContact CG-CG2 3.28Å; M1-I8 HydrophobicContact SD-CD1 4.44Å; M1-I8 HydrophobicContact SD-CG2 3.29Å; M1-I8 WeakPolarHBondContact SD-CG2 3.35Å; I8-Y10 HydrophobicContact CG2-CE2 4.27Å
9Y84.5Confident86.4Confident37 Ų3796.2 Ų96.215%0.14548%0.484CS..EExtended strand (participates in β ladder)trans-108.4128.9177.8-62.9-95.5000111.3M1 I2 F4 R7 V11 M171M1-Y9 WeakPolarHBondContact CA-O 3.22Å; I2-Y9 PolarHBondContact N-O 3.17Å; I2-Y9 PolarHBondContact O-N 2.77Å; F4-Y9 HydrophobicContact CB-CD2 4.25Å; F4-Y9 HydrophobicContact CB-CE2 3.99Å; F4-Y9 HydrophobicContact CD1-CE2 4.42Å; R7-Y9 HydrophobicContact CB-CD2 4.2Å; R7-Y9 HydrophobicContact CB-CE2 3.54Å; Y9-V11 PolarHBondContact O-N 2.9Å; Y9-M171 HydrophobicContact CD1-CE 3.34Å; Y9-M171 HydrophobicContact CD2-CE 3.25Å; Y9-M171 HydrophobicContact CE1-CE 3.68Å; Y9-M171 HydrophobicContact CE2-CE 3.58Å; Y9-M171 HydrophobicContact CG-CE 3.09Å
10Y85.8Confident86.4Confident200 Ų20099 Ų9978%0.78450%0.5SS*.  trans-89.585171.3-65.8-84.2000109.4M1 I8M1-Y10 HydrophobicContact SD-CE1 4.46Å; I8-Y10 HydrophobicContact CG2-CE2 4.27Å
11V87.2Confident86.2Confident49 Ų49100.7 Ų100.730%0.29751%0.505SS..  trans-87.3126.8179.3-176.70000109.9I2 Y9 L13 M171I2-V11 HydrophobicContact CD1-CB 4.27Å; I2-V11 HydrophobicContact CD1-CG2 3.98Å; I2-V11 HydrophobicContact CG1-CG2 4.38Å; Y9-V11 PolarHBondContact O-N 2.9Å; V11-L13 HydrophobicContact CG1-CD2 3.79Å; V11-L13 HydrophobicContact CG1-CG 4.13Å; V11-M171 HydrophobicContact CG2-SD 4.04Å
12R89.8Confident87.2Confident212 Ų21299.2 Ų99.280%0.849%0.494SS*.  trans-100.7110.3167.2-174.9178.4-179.2179.8-0.3108.3I14R12-I14 HydrophobicContact CG-CG1 4.35Å
13L92.4Very high87.9Confident108 Ų10897.1 Ų97.157%0.56548%0.483SS*.  trans-87.5133.7173.1-61.7174.5000108.7V11 F167V11-L13 HydrophobicContact CG1-CD2 3.79Å; V11-L13 HydrophobicContact CG1-CG 4.13Å; L13-F167 HydrophobicContact CD1-CE1 3.67Å; L13-F167 HydrophobicContact CD1-CZ 3.99Å; L13-F167 HydrophobicContact CD2-CE1 4.08Å
14I93.6Very high88.4Confident73 Ų7393 Ų9337%0.37445%0.454SS..  trans-121.4112177.1-57.2178.2000106.3R12 W37R12-I14 HydrophobicContact CG-CG1 4.35Å; I14-W37 VanDerWaalsContact CD1-O 3.22Å; I14-W37 WeakPolarHBondContact CD1-O 3.36Å
15D93Very high88.7Confident159 Ų15994.2 Ų94.285%0.8546%0.464SS*.  trans-82.9124.7172.9-168.515000108.7
16C90.2Very high89.1Confident40 Ų4092.7 Ų92.727%0.2746%0.455SS..  trans-119.1135.3-174.2-57.80000109.1W37C16-W37 HydrophobicContact CB-CD2 4.22Å; C16-W37 HydrophobicContact CB-CE3 3.97Å; C16-W37 HydrophobicContact CB-CZ3 4.3Å
17P92.3Very high89.4Confident74 Ų7488.5 Ų88.548%0.48144%0.439SS..  trans-52.9160.9161.9-23.732.7000112.1I19 W37P17-I19 PolarHBondContact O-N 3.04Å; P17-W37 HydrophobicContact CB-CH2 4.04Å; P17-W37 HydrophobicContact CB-CZ2 4.33Å; P17-W37 VanDerWaalsContact CD-CZ2 3.45Å; P17-W37 HydrophobicContact CG-CH2 3.99Å; P17-W37 HydrophobicContact CG-CZ2 3.77Å
18P92.2Very high89.8Confident86 Ų8687.8 Ų87.856%0.55844%0.443SS*.  trans-51.5136.6169.2-25.335.2000111.8D20P18-D20 PolarHBondContact O-N 2.95Å
19I92.3Very high90.1Very high15 Ų1585 Ų858%0.07743%0.429CS..  trans-83.795.2176.1-63.2174000106.3P17 K21 F23 Y34 W37 L39 Y59 L63P17-I19 PolarHBondContact O-N 3.04Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.26Å; I19-F23 HydrophobicContact CD1-CD2 4.22Å; I19-Y34 HydrophobicContact CG1-CE1 4.37Å; I19-Y34 HydrophobicContact CG2-CE1 3.98Å; I19-Y34 WeakPolarHBondContact CG2-OH 3.33Å; I19-W37 HydrophobicContact CG1-CZ3 4.22Å; I19-L39 HydrophobicContact CD1-CD1 3.95Å; I19-L39 HydrophobicContact CD1-CD2 4.35Å; I19-Y59 PolarHBondContact N-OH 2.82Å; I19-L63 HydrophobicContact CB-CD1 4.48Å; I19-L63 HydrophobicContact CD1-CD1 3.91Å; I19-L63 HydrophobicContact CD1-CD2 4.33Å
20D85.4Confident90.4Very high152 Ų15284.1 Ų84.181%0.81343%0.426SS*.  trans-73.1-20.8-175.9-61.9-33.2000113.6P18P18-D20 PolarHBondContact O-N 2.95Å
21K84.1Confident90.5Very high136 Ų13681.1 Ų81.159%0.59141%0.414SS*.SBendtrans-103.6-156.6179-52.3179.5-177.6175.20110.9I19 N33I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.26Å; K21-N33 PolarHBondContact NZ-OD1 2.95Å
22K91.2Very high90.8Very high119 Ų11985.4 Ų85.452%0.51743%0.43SS..PPolyproline II helixtrans-79.7144171.3-167.2-176.9174.6-172.70110.1T25 Y34K22-T25 HydrophobicContact CD-CG2 4.38Å; K22-Y34 PolarHBondContact O-OH 3.08Å
23F92.8Very high90.8Very high1 Ų178.1 Ų78.10%0.00441%0.407CS..PPolyproline II helixtrans-54137.3168.7-172.9-89.3000110.6I19 T25 L39 F45 L63 Q66 I67 E70 F71I19-F23 HydrophobicContact CD1-CD2 4.22Å; F23-T25 PolarHBondContact O-N 2.99Å; F23-L39 HydrophobicContact CE2-CB 4Å; F23-L39 HydrophobicContact CE2-CD1 4.3Å; F23-L39 HydrophobicContact CE2-CD2 4.45Å; F23-L39 HydrophobicContact CE2-CG 4.49Å; F23-L39 HydrophobicContact CZ-CB 4Å; F23-F45 HydrophobicContact CE2-CE1 4.25Å; F23-F45 HydrophobicContact CE2-CE2 4.45Å; F23-F45 AromaticContact CE2-CZ 3.78Å; F23-F45 HydrophobicContact CE2-CZ 3.78Å; F23-F45 HydrophobicContact CZ-CE2 4.22Å; F23-F45 AromaticContact CZ-CZ 3.72Å; F23-F45 HydrophobicContact CZ-CZ 3.72Å; F23-L63 HydrophobicContact CB-CD1 4.37Å; F23-L63 HydrophobicContact CD2-CD1 4.09Å; F23-Q66 HydrophobicContact CB-CB 3.83Å; F23-I67 HydrophobicContact CD2-CD1 4.28Å; F23-I67 HydrophobicContact CD2-CG1 3.56Å; F23-I67 HydrophobicContact CE2-CD1 4.16Å; F23-I67 HydrophobicContact CE2-CG1 3.56Å; F23-I67 HydrophobicContact CG-CG1 4.06Å; F23-I67 HydrophobicContact CZ-CG1 4.07Å; F23-E70 HydrophobicContact CD1-CB 4.44Å; F23-E70 HydrophobicContact CD1-CG 3.96Å; F23-E70 HydrophobicContact CE1-CB 4.37Å; F23-E70 HydrophobicContact CE1-CG 4.34Å; F23-F71 HydrophobicContact CE1-CD2 4.18Å; F23-F71 AromaticContact CE1-CE2 3.65Å; F23-F71 HydrophobicContact CE1-CE2 3.65Å; F23-F71 HydrophobicContact CZ-CD2 4.43Å; F23-F71 AromaticContact CZ-CE2 3.94Å; F23-F71 HydrophobicContact CZ-CE2 3.94Å
24P92.3Very high90.7Very high0 Ų073.4 Ų73.40%038%0.382CS..PPolyproline II helixtrans-65.6124.4-170.525.7-35.2000112.2D29 E30 Y34 L39 R40P24-D29 WeakPolarHBondContact CA-OD2 3.44Å; P24-D29 HydrophobicContact CB-CB 4.43Å; P24-E30 HydrophobicContact CB-CB 3.82Å; P24-E30 HydrophobicContact CG-CB 4.15Å; P24-E30 HydrophobicContact CG-CG 4.39Å; P24-Y34 HydrophobicContact CB-CD2 3.95Å; P24-Y34 HydrophobicContact CB-CE2 4.19Å; P24-Y34 HydrophobicContact CG-CD2 3.84Å; P24-Y34 HydrophobicContact CG-CE2 4.23Å; P24-L39 HydrophobicContact CG-CB 3.98Å; P24-L39 HydrophobicContact CG-CD1 3.77Å; P24-R40 HydrophobicContact CG-CG 4.16Å
25T90.9Very high90.4Very high48 Ų4877.1 Ų77.129%0.29439%0.391SS..SBendtrans-84.9-23.7-178.460.10000112.8K22 F23K22-T25 HydrophobicContact CD-CG2 4.38Å; F23-T25 PolarHBondContact O-N 2.99Å
26N91.2Very high90Very high65 Ų6572.6 Ų72.635%0.34838%0.382SS..SBendtrans-143.7169.8-177.762.751.2000111.1I28 D29 E30 R40N26-I28 VanDerWaalsContact C-N 3.3Å; N26-I28 PolarHBondContact O-N 2.7Å; N26-I28 WeakPolarHBondContact OD1-CG2 3.5Å; N26-I28 PolarHBondContact OD1-N 2.75Å; N26-D29 VanDerWaalsContact OD1-CB 3.29Å; N26-D29 WeakPolarHBondContact OD1-CB 3.33Å; N26-D29 PolarHBondContact OD1-N 3.21Å; N26-E30 PolarHBondContact O-N 3.19Å; N26-R40 WeakPolarHBondContact O-CD 3.3Å
27S89.1Confident89.9Confident78 Ų7873.5 Ų73.555%0.54538%0.38SS..Hα-helixtrans-67.4-28.1-175.9-530000113.5W31 R40S27-W31 WeakPolarHBondContact O-CB 3.34Å; S27-W31 PolarHBondContact O-N 3.27Å; S27-R40 PolarHBondContact OG-NH1 2.77Å
28I91.2Very high89.7Confident97 Ų9771.1 Ų71.150%0.49737%0.368SS..Hα-helixtrans-74.1-43.1-178.6-175.364.8000110.7N26 E30 W31 E32N26-I28 VanDerWaalsContact C-N 3.3Å; N26-I28 PolarHBondContact O-N 2.7Å; N26-I28 WeakPolarHBondContact OD1-CG2 3.5Å; N26-I28 PolarHBondContact OD1-N 2.75Å; I28-E30 VanDerWaalsContact C-N 3.34Å; I28-E30 PolarHBondContact O-N 3.42Å; I28-W31 PolarHBondContact O-N 2.94Å; I28-W31 VanDerWaalsContact O-N 3.12Å; I28-E32 HydrophobicContact CD1-CG 4.34Å; I28-E32 HydrophobicContact CG1-CG 4.47Å; I28-E32 WeakPolarHBondContact O-CG 3.32Å; I28-E32 PolarHBondContact O-N 3.49Å
29D91.1Very high89.7Confident36 Ų3667.4 Ų67.419%0.19334%0.343CS..Hα-helixtrans-61.4-41.8175.1-175.221.3000111.6P24 N26 E32 N33P24-D29 WeakPolarHBondContact CA-OD2 3.44Å; P24-D29 HydrophobicContact CB-CB 4.43Å; N26-D29 VanDerWaalsContact OD1-CB 3.29Å; N26-D29 WeakPolarHBondContact OD1-CB 3.33Å; N26-D29 PolarHBondContact OD1-N 3.21Å; D29-E32 PolarHBondContact O-N 3.06Å; D29-N33 WeakPolarHBondContact O-CB 3.19Å; D29-N33 PolarHBondContact O-N 3.35Å; D29-N33 PolarHBondContact O-ND2 3.17Å; D29-N33 PolarHBondContact OD1-ND2 2.98Å
30E90.8Very high89.6Confident19 Ų1970 Ų709%0.08935%0.352CS..Hα-helixtrans-61.1-43.6172-175.9178.7-165.400112.5P24 N26 I28 Y34 R35 G38 L39 R40P24-E30 HydrophobicContact CB-CB 3.82Å; P24-E30 HydrophobicContact CG-CB 4.15Å; P24-E30 HydrophobicContact CG-CG 4.39Å; N26-E30 PolarHBondContact O-N 3.19Å; I28-E30 VanDerWaalsContact C-N 3.34Å; I28-E30 PolarHBondContact O-N 3.42Å; E30-Y34 CarbonylContact O-C 3.56Å; E30-Y34 VanDerWaalsContact O-CA 3.26Å; E30-Y34 WeakPolarHBondContact O-CA 3.33Å; E30-Y34 WeakPolarHBondContact O-CB 2.96Å; E30-Y34 PolarHBondContact O-N 3.41Å; E30-R35 PolarHBondContact O-N 3.39Å; E30-G38 WeakPolarHBondContact OE1-CA 3.44Å; E30-L39 PolarHBondContact OE1-N 3.38Å; E30-R40 PolarHBondContact OE1-N 2.69Å; E30-R40 VanDerWaalsContact OE1-N 3.09Å; E30-R40 WeakPolarHBondContact OE2-CB 3.34Å; E30-R40 WeakPolarHBondContact OE2-CD 3.39Å; E30-R40 WeakPolarHBondContact OE2-CG 3.18Å
31W88Confident89.8Confident137 Ų13767.2 Ų67.252%0.51934%0.338SS..Hα-helixtrans-67.7-36.9-178.6-175.2-98.2000112.8S27 I28 R35S27-W31 WeakPolarHBondContact O-CB 3.34Å; S27-W31 PolarHBondContact O-N 3.27Å; I28-W31 PolarHBondContact O-N 2.94Å; I28-W31 VanDerWaalsContact O-N 3.12Å; W31-R35 HydrophobicContact CE3-CG 4.47Å
32E91.9Very high90.1Very high139 Ų13962.2 Ų62.265%0.6532%0.321SS*.Hα-helixtrans-76.2-43.7179.7-72.1-179.6175.300112.5I28 D29I28-E32 HydrophobicContact CD1-CG 4.34Å; I28-E32 HydrophobicContact CG1-CG 4.47Å; I28-E32 WeakPolarHBondContact O-CG 3.32Å; I28-E32 PolarHBondContact O-N 3.49Å; D29-E32 PolarHBondContact O-N 3.06Å
33N90.1Very high90.1Very high58 Ų5861.2 Ų61.231%0.3133%0.329SS..Hα-helixtrans-103.3-25.2-170.2-67.1-63000114.5K21 D29K21-N33 PolarHBondContact NZ-OD1 2.95Å; D29-N33 WeakPolarHBondContact O-CB 3.19Å; D29-N33 PolarHBondContact O-N 3.35Å; D29-N33 PolarHBondContact O-ND2 3.17Å; D29-N33 PolarHBondContact OD1-ND2 2.98Å
34Y90.7Very high90.1Very high10 Ų1062.4 Ų62.44%0.03934%0.339CS..SBendtrans-133.934.2-166.8-54-63.7000112.5I19 K22 P24 E30 G36 W37 L39I19-Y34 HydrophobicContact CG1-CE1 4.37Å; I19-Y34 HydrophobicContact CG2-CE1 3.98Å; I19-Y34 WeakPolarHBondContact CG2-OH 3.33Å; K22-Y34 PolarHBondContact O-OH 3.08Å; P24-Y34 HydrophobicContact CB-CD2 3.95Å; P24-Y34 HydrophobicContact CB-CE2 4.19Å; P24-Y34 HydrophobicContact CG-CD2 3.84Å; P24-Y34 HydrophobicContact CG-CE2 4.23Å; E30-Y34 CarbonylContact O-C 3.56Å; E30-Y34 VanDerWaalsContact O-CA 3.26Å; E30-Y34 WeakPolarHBondContact O-CA 3.33Å; E30-Y34 WeakPolarHBondContact O-CB 2.96Å; E30-Y34 PolarHBondContact O-N 3.41Å; Y34-G36 PolarHBondContact O-N 2.79Å; Y34-W37 HydrophobicContact CD1-CD2 4.42Å; Y34-W37 AromaticContact CD1-CE3 3.55Å; Y34-W37 HydrophobicContact CD1-CE3 3.55Å; Y34-W37 AromaticContact CD1-CH2 3.96Å; Y34-W37 HydrophobicContact CD1-CH2 3.96Å; Y34-W37 AromaticContact CD1-CZ3 3.31Å; Y34-W37 HydrophobicContact CD1-CZ3 3.31Å; Y34-W37 HydrophobicContact CE1-CE3 4.47Å; Y34-W37 HydrophobicContact CE1-CH2 4.47Å; Y34-W37 AromaticContact CE1-CZ3 3.88Å; Y34-W37 HydrophobicContact CE1-CZ3 3.88Å; Y34-W37 HydrophobicContact CG-CE3 4.16Å; Y34-W37 HydrophobicContact CG-CZ3 4.34Å; Y34-W37 WeakPolarHBondContact O-CB 3.33Å; Y34-W37 PolarHBondContact O-N 3.26Å; Y34-L39 HydrophobicContact CD1-CD1 4.13Å; Y34-L39 HydrophobicContact CD2-CD1 4.04Å; Y34-L39 HydrophobicContact CG-CD1 3.73Å
35R87.3Confident90.2Very high151 Ų15163.5 Ų63.557%0.5734%0.344SS*.THydrogen-bonded Turntrans-55.8124.1-172.3-164.1173.9-179.8-172.5-2.4111.6E30 W31E30-R35 PolarHBondContact O-N 3.39Å; W31-R35 HydrophobicContact CE3-CG 4.47Å
36G83.9Confident90.5Very high63 Ų6364 Ų6465%0.64934%0.344SS*.THydrogen-bonded Turntrans87.4-5.2177.500000115.3Y34Y34-G36 PolarHBondContact O-N 2.79Å
37W89.4Confident90.7Very high60 Ų6061.3 Ų61.323%0.22733%0.33CS..THydrogen-bonded Turntrans-83.4-23.2179.6-60.10.2000112.7I14 C16 P17 I19 Y34 L39I14-W37 VanDerWaalsContact CD1-O 3.22Å; I14-W37 WeakPolarHBondContact CD1-O 3.36Å; C16-W37 HydrophobicContact CB-CD2 4.22Å; C16-W37 HydrophobicContact CB-CE3 3.97Å; C16-W37 HydrophobicContact CB-CZ3 4.3Å; P17-W37 HydrophobicContact CB-CH2 4.04Å; P17-W37 HydrophobicContact CB-CZ2 4.33Å; P17-W37 VanDerWaalsContact CD-CZ2 3.45Å; P17-W37 HydrophobicContact CG-CH2 3.99Å; P17-W37 HydrophobicContact CG-CZ2 3.77Å; I19-W37 HydrophobicContact CG1-CZ3 4.22Å; Y34-W37 HydrophobicContact CD1-CD2 4.42Å; Y34-W37 AromaticContact CD1-CE3 3.55Å; Y34-W37 HydrophobicContact CD1-CE3 3.55Å; Y34-W37 AromaticContact CD1-CH2 3.96Å; Y34-W37 HydrophobicContact CD1-CH2 3.96Å; Y34-W37 AromaticContact CD1-CZ3 3.31Å; Y34-W37 HydrophobicContact CD1-CZ3 3.31Å; Y34-W37 HydrophobicContact CE1-CE3 4.47Å; Y34-W37 HydrophobicContact CE1-CH2 4.47Å; Y34-W37 AromaticContact CE1-CZ3 3.88Å; Y34-W37 HydrophobicContact CE1-CZ3 3.88Å; Y34-W37 HydrophobicContact CG-CE3 4.16Å; Y34-W37 HydrophobicContact CG-CZ3 4.34Å; Y34-W37 WeakPolarHBondContact O-CB 3.33Å; Y34-W37 PolarHBondContact O-N 3.26Å; W37-L39 HydrophobicContact CB-CD2 4.29Å; W37-L39 HydrophobicContact CB-CG 4.05Å; W37-L39 HydrophobicContact CE3-CD1 4.19Å; W37-L39 PolarHBondContact O-N 3.44Å
38G88.1Confident91.1Very high23 Ų2361.3 Ų61.324%0.23733%0.326CS..  trans6033.6175.900000113.1E30 R40 N41 A42E30-G38 WeakPolarHBondContact OE1-CA 3.44Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.34Å; G38-N41 CarbonylContact O-C 3.14Å; G38-N41 PolarHBondContact O-N 3.22Å; G38-A42 PolarHBondContact O-N 2.92Å
39L91.5Very high91.3Very high8 Ų856.9 Ų56.94%0.04230%0.304CS..G310 helixtrans-53.6-45.4-178.6-64.7179.2000111.5I19 F23 P24 E30 Y34 W37 N41 A42 F45I19-L39 HydrophobicContact CD1-CD1 3.95Å; I19-L39 HydrophobicContact CD1-CD2 4.35Å; F23-L39 HydrophobicContact CE2-CB 4Å; F23-L39 HydrophobicContact CE2-CD1 4.3Å; F23-L39 HydrophobicContact CE2-CD2 4.45Å; F23-L39 HydrophobicContact CE2-CG 4.49Å; F23-L39 HydrophobicContact CZ-CB 4Å; P24-L39 HydrophobicContact CG-CB 3.98Å; P24-L39 HydrophobicContact CG-CD1 3.77Å; E30-L39 PolarHBondContact OE1-N 3.38Å; Y34-L39 HydrophobicContact CD1-CD1 4.13Å; Y34-L39 HydrophobicContact CD2-CD1 4.04Å; Y34-L39 HydrophobicContact CG-CD1 3.73Å; W37-L39 HydrophobicContact CB-CD2 4.29Å; W37-L39 HydrophobicContact CB-CG 4.05Å; W37-L39 HydrophobicContact CE3-CD1 4.19Å; W37-L39 PolarHBondContact O-N 3.44Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 3.25Å; L39-A42 PolarHBondContact O-N 2.94Å; L39-F45 HydrophobicContact CD2-CE1 4.1Å; L39-F45 WeakPolarHBondContact O-CZ 3.38Å
40R90.2Very high91.4Very high70 Ų7056.3 Ų56.326%0.26430%0.301SS..G310 helixtrans-78.3-17.3-179.2-59-177.465.9-111.84.7113P24 N26 S27 E30 G38 F71P24-R40 HydrophobicContact CG-CG 4.16Å; N26-R40 WeakPolarHBondContact O-CD 3.3Å; S27-R40 PolarHBondContact OG-NH1 2.77Å; E30-R40 PolarHBondContact OE1-N 2.69Å; E30-R40 VanDerWaalsContact OE1-N 3.09Å; E30-R40 WeakPolarHBondContact OE2-CB 3.34Å; E30-R40 WeakPolarHBondContact OE2-CD 3.39Å; E30-R40 WeakPolarHBondContact OE2-CG 3.18Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.34Å; R40-F71 HydrophobicContact CB-CE2 4.45Å; R40-F71 HydrophobicContact CB-CZ 3.82Å; R40-F71 HydrophobicContact CG-CE2 4.45Å; R40-F71 HydrophobicContact CG-CZ 4.04Å
41N89.4Confident91.4Very high94 Ų9455.5 Ų55.550%0.50330%0.297SS..G310 helixtrans-96.8-4178.4-7352.9000113.1G38 L39 S43 R194G38-N41 CarbonylContact O-C 3.14Å; G38-N41 PolarHBondContact O-N 3.22Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 3.25Å; N41-S43 PolarHBondContact O-N 3.12Å; N41-R194 VanDerWaalsContact CG-NH2 3.28Å; N41-R194 PolarHBondContact ND2-NH2 3.49Å
42A91.7Very high91.4Very high30 Ų3051.4 Ų51.425%0.24829%0.285CS..  trans-64.4133-177.900000111.3G38 L39 A44 F45 I74G38-A42 PolarHBondContact O-N 2.92Å; L39-A42 PolarHBondContact O-N 2.94Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-F45 HydrophobicContact CB-CE1 3.96Å; A42-F45 HydrophobicContact CB-CE2 4.34Å; A42-F45 HydrophobicContact CB-CZ 3.86Å; A42-I74 VanDerWaalsContact O-CD1 3.28Å; A42-I74 WeakPolarHBondContact O-CD1 3.43Å
43S90.2Very high91.3Very high98 Ų9846.2 Ų46.269%0.68526%0.264SS*.SBendtrans-77.9-16.8175-57.20000113.1N41 P75N41-S43 PolarHBondContact O-N 3.12Å; S43-P75 WeakPolarHBondContact O-CD 3.4Å; S43-P75 VanDerWaalsContact O-CG 3.23Å; S43-P75 WeakPolarHBondContact O-CG 3.43Å
44A93.3Very high91.3Very high26 Ų2648.4 Ų48.422%0.21527%0.273CS..  trans-164.5156.4-179.500000110.6A42 P75 L170 L174A42-A44 VanDerWaalsContact C-N 3.3Å; A44-P75 CarbonylContact C-O 3.38Å; A44-P75 WeakPolarHBondContact CA-O 3.26Å; A44-P75 HydrophobicContact CB-CB 3.66Å; A44-P75 HydrophobicContact CB-CG 4.15Å; A44-L170 HydrophobicContact CB-CD1 3.77Å; A44-L174 HydrophobicContact CB-CD2 4.13Å
45F95Very high91.3Very high24 Ų2452.2 Ų52.211%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-118.9140.1172-70.5-72.8000111.7F23 L39 A42 L47 I67 I74 P75 L76 L77F23-F45 HydrophobicContact CE2-CE1 4.25Å; F23-F45 HydrophobicContact CE2-CE2 4.45Å; F23-F45 AromaticContact CE2-CZ 3.78Å; F23-F45 HydrophobicContact CE2-CZ 3.78Å; F23-F45 HydrophobicContact CZ-CE2 4.22Å; F23-F45 AromaticContact CZ-CZ 3.72Å; F23-F45 HydrophobicContact CZ-CZ 3.72Å; L39-F45 HydrophobicContact CD2-CE1 4.1Å; L39-F45 WeakPolarHBondContact O-CZ 3.38Å; A42-F45 HydrophobicContact CB-CE1 3.96Å; A42-F45 HydrophobicContact CB-CE2 4.34Å; A42-F45 HydrophobicContact CB-CZ 3.86Å; F45-L47 HydrophobicContact CB-CD2 4.39Å; F45-I67 HydrophobicContact CD1-CD1 4.34Å; F45-I67 HydrophobicContact CD2-CD1 4.12Å; F45-I67 HydrophobicContact CD2-CG2 3.6Å; F45-I67 HydrophobicContact CE2-CD1 4.33Å; F45-I67 HydrophobicContact CE2-CG1 4.39Å; F45-I67 HydrophobicContact CE2-CG2 3.67Å; F45-I67 HydrophobicContact CG-CD1 4.1Å; F45-I74 HydrophobicContact CD2-CD1 3.61Å; F45-I74 HydrophobicContact CD2-CG1 3.92Å; F45-I74 HydrophobicContact CD2-CG2 4.18Å; F45-I74 HydrophobicContact CE2-CD1 3.32Å; F45-I74 HydrophobicContact CE2-CG1 4.15Å; F45-I74 HydrophobicContact CZ-CD1 4.38Å; F45-P75 PolarHBondContact N-O 3.29Å; F45-L76 WeakPolarHBondContact O-CA 3.46Å; F45-L77 PolarHBondContact O-N 3.4Å
46I96.4Very high91.6Very high57 Ų5746.2 Ų46.229%0.29228%0.282SS..EExtended strand (participates in β ladder)trans-111.1113.7166.5-52.8176.5000106.3V48 L77 V79 V166 L170I46-V48 HydrophobicContact CG2-CG2 3.98Å; I46-L77 CarbonylContact C-O 3.58Å; I46-L77 WeakPolarHBondContact CA-O 3.4Å; I46-V79 HydrophobicContact CG2-CB 4.4Å; I46-V79 HydrophobicContact CG2-CG2 3.47Å; I46-V79 VanDerWaalsContact CG2-CG2 3.47Å; I46-V166 HydrophobicContact CG2-CG1 4.43Å; I46-L170 HydrophobicContact CD1-CD2 3.89Å; I46-L170 HydrophobicContact CG1-CD1 4.44Å; I46-L170 HydrophobicContact CG1-CD2 4.24Å
47L96Very high92Very high10 Ų1043.6 Ų43.65%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-100116.6174.8-51-175.6000109.1F45 I60 L63 R64 I67 L76 L77 L78 V79F45-L47 HydrophobicContact CB-CD2 4.39Å; L47-I60 HydrophobicContact CB-CB 4.18Å; L47-I60 HydrophobicContact CB-CG2 4.2Å; L47-I60 HydrophobicContact CD1-CB 4.48Å; L47-L63 HydrophobicContact CD2-CD2 4.03Å; L47-R64 HydrophobicContact CD1-CB 3.64Å; L47-R64 HydrophobicContact CD1-CG 4.32Å; L47-I67 HydrophobicContact CD2-CD1 3.99Å; L47-L76 HydrophobicContact CD1-CD1 3.92Å; L47-L76 HydrophobicContact CD1-CD2 3.98Å; L47-L76 HydrophobicContact CD1-CG 4.16Å; L47-L76 HydrophobicContact CG-CD1 4.44Å; L47-L76 HydrophobicContact CG-CD2 4.25Å; L47-L76 HydrophobicContact CG-CG 4.26Å; L47-L77 PolarHBondContact N-O 2.82Å; L47-L78 HydrophobicContact CB-CD2 3.72Å; L47-L78 HydrophobicContact CD1-CD2 4.03Å; L47-L78 HydrophobicContact CG-CD2 4.25Å; L47-L78 CarbonylContact O-C 3.56Å; L47-L78 WeakPolarHBondContact O-CA 3.5Å; L47-V79 PolarHBondContact O-N 2.86Å
48V96.8Very high92.1Very high77 Ų7743.9 Ų43.947%0.46726%0.256SS..EExtended strand (participates in β ladder)trans-105.4131.6-176.1-1700000109.3I46 I60 V79 N81I46-V48 HydrophobicContact CG2-CG2 3.98Å; V48-I60 WeakPolarHBondContact O-CG2 3.32Å; V48-V79 WeakPolarHBondContact CA-O 3.31Å; V48-V79 HydrophobicContact CB-CB 4.46Å; V48-V79 HydrophobicContact CG1-CB 4.31Å; V48-V79 HydrophobicContact CG1-CG1 4.29Å; V48-V79 HydrophobicContact CG2-CB 4.13Å; V48-N81 HydrophobicContact CG1-CB 3.65Å
49F95Very high92.4Very high5 Ų546.4 Ų46.42%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-128.7160.9171.473.1-82.7000110.2V51 F57 I60 V79 A80 N81 I135 I139 L152F49-V51 HydrophobicContact CE2-CG1 4.44Å; F49-F57 HydrophobicContact CD1-CD2 4.46Å; F49-F57 HydrophobicContact CD2-CB 4.18Å; F49-F57 HydrophobicContact CD2-CD2 4.27Å; F49-F57 HydrophobicContact CE1-CD2 4.5Å; F49-F57 HydrophobicContact CE2-CD2 4.37Å; F49-F57 HydrophobicContact CG-CD2 4.32Å; F49-F57 HydrophobicContact CZ-CD2 4.45Å; F49-I60 HydrophobicContact CB-CD1 3.76Å; F49-I60 HydrophobicContact CB-CG1 3.94Å; F49-I60 HydrophobicContact CB-CG2 4.19Å; F49-I60 HydrophobicContact CD1-CD1 3.31Å; F49-I60 HydrophobicContact CD1-CG1 4.36Å; F49-I60 HydrophobicContact CE1-CD1 4.15Å; F49-I60 HydrophobicContact CG-CD1 3.78Å; F49-I60 HydrophobicContact CG-CG1 4.38Å; F49-V79 VanDerWaalsContact CD1-O 3.25Å; F49-V79 WeakPolarHBondContact CD1-O 3.38Å; F49-V79 PolarHBondContact N-O 2.69Å; F49-A80 HydrophobicContact CE1-CB 3.71Å; F49-A80 HydrophobicContact CE2-CB 4Å; F49-A80 HydrophobicContact CZ-CB 3.32Å; F49-N81 PolarHBondContact O-N 2.71Å; F49-I135 HydrophobicContact CD2-CD1 4.25Å; F49-I135 HydrophobicContact CE2-CD1 3.58Å; F49-I135 HydrophobicContact CZ-CD1 4.42Å; F49-I139 HydrophobicContact CE1-CD1 4.21Å; F49-I139 HydrophobicContact CE2-CD1 3.78Å; F49-I139 HydrophobicContact CZ-CD1 3.34Å; F49-L152 HydrophobicContact CE1-CD1 3.8Å; F49-L152 HydrophobicContact CZ-CD1 4.18Å
50D93.5Very high92.5Very high24 Ų2446.1 Ų46.113%0.12826%0.258CS..EExtended strand (participates in β ladder)trans-93.1125.2176.9178.8-7.4000109.3N52 S53 S56 K82D50-N52 PolarHBondContact O-N 3.42Å; D50-N52 WeakPolarHBondContact OD1-CB 3.47Å; D50-N52 PolarHBondContact OD1-N 3.31Å; D50-S53 PolarHBondContact O-N 3.45Å; D50-S56 PolarHBondContact N-OG 3.36Å; D50-S56 PolarHBondContact O-OG 3.23Å; D50-K82 HydrophobicContact CB-CD 4.42Å; D50-K82 VanDerWaalsContact OD2-CD 3.3Å; D50-K82 WeakPolarHBondContact OD2-CD 3.41Å; D50-K82 VanDerWaalsContact OD2-CE 3.22Å; D50-K82 WeakPolarHBondContact OD2-CE 3.17Å; D50-K82 IonicContact OD2-NZ 2.69Å; D50-K82 PolarHBondContact OD2-NZ 3Å
51V90.9Very high92.6Very high2 Ų246.1 Ų46.11%0.01226%0.258CS..THydrogen-bonded Turntrans-58.3-18.1177.8-65.70000114.1F49 A80 N81 K82 I83 L86F49-V51 HydrophobicContact CE2-CG1 4.44Å; V51-A80 HydrophobicContact CG1-CB 3.74Å; V51-N81 WeakPolarHBondContact CG1-O 3.29Å; V51-N81 WeakPolarHBondContact CG2-O 3.49Å; V51-N81 PolarHBondContact N-O 2.71Å; V51-K82 HydrophobicContact CG2-CB 4.4Å; V51-K82 WeakPolarHBondContact CG2-O 3.33Å; V51-I83 HydrophobicContact CG1-CG2 4.08Å; V51-L86 HydrophobicContact CB-CD1 4.41Å; V51-L86 HydrophobicContact CB-CD2 4.22Å; V51-L86 HydrophobicContact CB-CG 4.37Å; V51-L86 HydrophobicContact CG1-CD1 4.44Å; V51-L86 HydrophobicContact CG2-CD1 4.4Å; V51-L86 HydrophobicContact CG2-CD2 4.05Å; V51-L86 HydrophobicContact CG2-CG 3.95Å
52N87.8Confident92.7Very high50 Ų5047.3 Ų47.327%0.26726%0.26SS..THydrogen-bonded Turntrans-98.55178.7-175.148.5000113.4D50 L85 N128 R132D50-N52 PolarHBondContact O-N 3.42Å; D50-N52 WeakPolarHBondContact OD1-CB 3.47Å; D50-N52 PolarHBondContact OD1-N 3.31Å; N52-L85 HydrophobicContact CB-CD1 4.01Å; N52-N128 PolarHBondContact OD1-ND2 2.81Å; N52-N128 PolarHBondContact OD1-OD1 2.76Å; N52-R132 PolarHBondContact OD1-NH1 3.34Å; N52-R132 PolarHBondContact OD1-NH2 3.5Å
53S90.5Very high92.9Very high30 Ų3046.6 Ų46.621%0.2125%0.252CS..  trans-132.5107.7-174.4175.90000112.1D50 S55 S56 F57D50-S53 PolarHBondContact O-N 3.45Å; S53-S55 PolarHBondContact O-N 2.97Å; S53-S55 PolarHBondContact OG-OG 2.88Å; S53-S55 VanDerWaalsContact OG-OG 3.04Å; S53-S56 WeakPolarHBondContact CB-OG 3.44Å; S53-S56 PolarHBondContact O-N 3.05Å; S53-S56 PolarHBondContact O-OG 3.49Å; S53-S56 WeakPolarHBondContact OG-CB 3.42Å; S53-S56 PolarHBondContact OG-N 3.05Å; S53-F57 PolarHBondContact O-N 3.24Å
54E89.2Confident93Very high105 Ų10543.1 Ų43.149%0.49122%0.224SC..Hα-helixtrans-62.2-41.2175.3-172159.5-166.600114S56 F57 Q58 Y131E54-S56 VanDerWaalsContact C-N 3.26Å; E54-S56 PolarHBondContact O-N 2.97Å; E54-F57 PolarHBondContact O-N 3.14Å; E54-F57 VanDerWaalsContact O-N 3.12Å; E54-Q58 HydrophobicContact CG-CG 4.35Å; E54-Q58 WeakPolarHBondContact O-CG 3.45Å; E54-Q58 PolarHBondContact O-N 3.4Å; E54-Y131 WeakPolarHBondContact CA-OH 3.3Å; E54-Y131 HydrophobicContact CB-CD2 3.85Å; E54-Y131 HydrophobicContact CB-CE1 4.11Å; E54-Y131 HydrophobicContact CB-CE2 3.3Å; E54-Y131 VanDerWaalsContact CB-CZ 3.45Å; E54-Y131 HydrophobicContact CG-CD2 4.04Å; E54-Y131 HydrophobicContact CG-CE2 3.32Å; E54-Y131 WeakPolarHBondContact OE2-CD2 3.4Å
55S91.5Very high93Very high89 Ų8945.2 Ų45.262%0.62223%0.232SC*.Hα-helixtrans-59-39.7175.5510000111.7S53 F57 Q58 Y59S53-S55 PolarHBondContact O-N 2.97Å; S53-S55 PolarHBondContact OG-OG 2.88Å; S53-S55 VanDerWaalsContact OG-OG 3.04Å; S55-F57 VanDerWaalsContact C-N 3.33Å; S55-F57 PolarHBondContact O-N 3.24Å; S55-Q58 PolarHBondContact O-N 2.97Å; S55-Y59 WeakPolarHBondContact O-CB 3.45Å; S55-Y59 PolarHBondContact O-N 3.02Å
56S93.4Very high92.9Very high25 Ų2546.5 Ų46.518%0.17524%0.238CC..Hα-helixtrans-64-37.4176.880.60000112.5D50 S53 E54 I60D50-S56 PolarHBondContact N-OG 3.36Å; D50-S56 PolarHBondContact O-OG 3.23Å; S53-S56 WeakPolarHBondContact CB-OG 3.44Å; S53-S56 PolarHBondContact O-N 3.05Å; S53-S56 PolarHBondContact O-OG 3.49Å; S53-S56 WeakPolarHBondContact OG-CB 3.42Å; S53-S56 PolarHBondContact OG-N 3.05Å; E54-S56 VanDerWaalsContact C-N 3.26Å; E54-S56 PolarHBondContact O-N 2.97Å; S56-I60 PolarHBondContact O-N 3.31Å; S56-I60 VanDerWaalsContact O-N 3.13Å
57F91.7Very high92.8Very high9 Ų943.9 Ų43.94%0.03923%0.225CC..Hα-helixtrans-69.8-44.1176.1178.7-110.6000112.1F49 S53 E54 S55 Y59 I60 R61 I135 I139 I142 W147F49-F57 HydrophobicContact CD1-CD2 4.46Å; F49-F57 HydrophobicContact CD2-CB 4.18Å; F49-F57 HydrophobicContact CD2-CD2 4.27Å; F49-F57 HydrophobicContact CE1-CD2 4.5Å; F49-F57 HydrophobicContact CE2-CD2 4.37Å; F49-F57 HydrophobicContact CG-CD2 4.32Å; F49-F57 HydrophobicContact CZ-CD2 4.45Å; S53-F57 PolarHBondContact O-N 3.24Å; E54-F57 PolarHBondContact O-N 3.14Å; E54-F57 VanDerWaalsContact O-N 3.12Å; S55-F57 VanDerWaalsContact C-N 3.33Å; S55-F57 PolarHBondContact O-N 3.24Å; F57-Y59 VanDerWaalsContact C-N 3.28Å; F57-Y59 PolarHBondContact O-N 3.49Å; F57-I60 HydrophobicContact CD2-CD1 4.06Å; F57-I60 HydrophobicContact CD2-CG1 4.21Å; F57-I60 HydrophobicContact CE2-CD1 4.4Å; F57-I60 WeakPolarHBondContact O-CG1 3.4Å; F57-I60 PolarHBondContact O-N 3.37Å; F57-R61 WeakPolarHBondContact O-CB 3.36Å; F57-R61 PolarHBondContact O-N 3.09Å; F57-I135 HydrophobicContact CB-CD1 4.4Å; F57-I135 HydrophobicContact CG-CD1 4.46Å; F57-I139 HydrophobicContact CD2-CD1 3.96Å; F57-I139 HydrophobicContact CD2-CG1 4.08Å; F57-I139 HydrophobicContact CE1-CG1 4.25Å; F57-I139 HydrophobicContact CE2-CD1 3.85Å; F57-I139 HydrophobicContact CE2-CG1 3.51Å; F57-I139 HydrophobicContact CZ-CD1 4.39Å; F57-I139 HydrophobicContact CZ-CG1 3.61Å; F57-I142 HydrophobicContact CE1-CD1 4.14Å; F57-I142 HydrophobicContact CZ-CD1 4.12Å; F57-W147 HydrophobicContact CE2-CH2 4.4Å; F57-W147 HydrophobicContact CZ-CH2 4.33Å
58Q91.2Very high92.5Very high65 Ų6545.2 Ų45.230%0.30423%0.233SC..Hα-helixtrans-62.8-38.1176.6-63.7-59.5-19.500111.5E54 S55 R61 Q62E54-Q58 HydrophobicContact CG-CG 4.35Å; E54-Q58 WeakPolarHBondContact O-CG 3.45Å; E54-Q58 PolarHBondContact O-N 3.4Å; S55-Q58 PolarHBondContact O-N 2.97Å; Q58-R61 WeakPolarHBondContact O-CB 3.41Å; Q58-R61 PolarHBondContact O-N 2.58Å; Q58-Q62 WeakPolarHBondContact O-CG 3.21Å; Q58-Q62 PolarHBondContact O-N 3.41Å
59Y94.5Very high92.2Very high76 Ų7645.1 Ų45.130%0.29824%0.236SC..Hα-helixtrans-59.6-54.2175.1168.9-99.9000112I19 S55 F57 R61 Q62 L63I19-Y59 PolarHBondContact N-OH 2.82Å; S55-Y59 WeakPolarHBondContact O-CB 3.45Å; S55-Y59 PolarHBondContact O-N 3.02Å; F57-Y59 VanDerWaalsContact C-N 3.28Å; F57-Y59 PolarHBondContact O-N 3.49Å; Y59-R61 PolarHBondContact O-N 3.19Å; Y59-Q62 PolarHBondContact O-N 3.07Å; Y59-L63 HydrophobicContact CE1-CD2 4.17Å; Y59-L63 WeakPolarHBondContact O-CB 3.46Å; Y59-L63 PolarHBondContact O-N 3.41Å
60I94Very high92Very high3 Ų348.1 Ų48.12%0.01525%0.25CC..Hα-helixtrans-65.4-28.318062.1148.4000112.6L47 V48 F49 S56 F57 R64 L78L47-I60 HydrophobicContact CB-CB 4.18Å; L47-I60 HydrophobicContact CB-CG2 4.2Å; L47-I60 HydrophobicContact CD1-CB 4.48Å; V48-I60 WeakPolarHBondContact O-CG2 3.32Å; F49-I60 HydrophobicContact CB-CD1 3.76Å; F49-I60 HydrophobicContact CB-CG1 3.94Å; F49-I60 HydrophobicContact CB-CG2 4.19Å; F49-I60 HydrophobicContact CD1-CD1 3.31Å; F49-I60 HydrophobicContact CD1-CG1 4.36Å; F49-I60 HydrophobicContact CE1-CD1 4.15Å; F49-I60 HydrophobicContact CG-CD1 3.78Å; F49-I60 HydrophobicContact CG-CG1 4.38Å; S56-I60 PolarHBondContact O-N 3.31Å; S56-I60 VanDerWaalsContact O-N 3.13Å; F57-I60 HydrophobicContact CD2-CD1 4.06Å; F57-I60 HydrophobicContact CD2-CG1 4.21Å; F57-I60 HydrophobicContact CE2-CD1 4.4Å; F57-I60 WeakPolarHBondContact O-CG1 3.4Å; F57-I60 PolarHBondContact O-N 3.37Å; I60-R64 WeakPolarHBondContact O-CB 3.15Å; I60-R64 PolarHBondContact O-N 3.43Å; I60-L78 HydrophobicContact CD1-CD2 3.97Å
61R91.7Very high91.7Very high70 Ų7049.5 Ų49.526%0.26426%0.255SS..Hα-helixtrans-64.4-49.8175.5166.6166.3-163.1-159.28.2110.7F57 Q58 Y59 R64 D65 W147F57-R61 WeakPolarHBondContact O-CB 3.36Å; F57-R61 PolarHBondContact O-N 3.09Å; Q58-R61 WeakPolarHBondContact O-CB 3.41Å; Q58-R61 PolarHBondContact O-N 2.58Å; Y59-R61 PolarHBondContact O-N 3.19Å; R61-R64 PolarHBondContact O-N 3.13Å; R61-D65 PolarHBondContact O-N 3Å; R61-D65 VanDerWaalsContact O-N 3.16Å; R61-W147 HydrophobicContact CB-CH2 4.11Å; R61-W147 HydrophobicContact CB-CZ2 4.22Å; R61-W147 HydrophobicContact CG-CH2 4.27Å; R61-W147 HydrophobicContact CG-CZ2 3.91Å
62Q93.3Very high91.3Very high119 Ų11955.1 Ų55.156%0.55629%0.285SS*.Hα-helixtrans-63.2-44.1176.1-68.9174.63.600111.3Q58 Y59 R64 D65 Q66Q58-Q62 WeakPolarHBondContact O-CG 3.21Å; Q58-Q62 PolarHBondContact O-N 3.41Å; Y59-Q62 PolarHBondContact O-N 3.07Å; Q62-R64 PolarHBondContact O-N 3.46Å; Q62-D65 PolarHBondContact O-N 2.93Å; Q62-Q66 WeakPolarHBondContact O-CG 3.42Å; Q62-Q66 PolarHBondContact O-N 3.14Å; Q62-Q66 VanDerWaalsContact O-N 3.12Å
63L94.7Very high91.1Very high14 Ų1457.2 Ų57.27%0.07330%0.296CS..Hα-helixtrans-62.5-42.2178.9-179.260.1000112I19 F23 L47 Y59 D65 Q66 I67I19-L63 HydrophobicContact CB-CD1 4.48Å; I19-L63 HydrophobicContact CD1-CD1 3.91Å; I19-L63 HydrophobicContact CD1-CD2 4.33Å; F23-L63 HydrophobicContact CB-CD1 4.37Å; F23-L63 HydrophobicContact CD2-CD1 4.09Å; L47-L63 HydrophobicContact CD2-CD2 4.03Å; Y59-L63 HydrophobicContact CE1-CD2 4.17Å; Y59-L63 WeakPolarHBondContact O-CB 3.46Å; Y59-L63 PolarHBondContact O-N 3.41Å; L63-D65 VanDerWaalsContact C-N 3.32Å; L63-D65 PolarHBondContact O-N 3.45Å; L63-Q66 PolarHBondContact O-N 2.75Å; L63-I67 HydrophobicContact CD1-CD1 4.22Å; L63-I67 HydrophobicContact CD1-CG1 4.38Å; L63-I67 HydrophobicContact CG-CD1 3.92Å; L63-I67 HydrophobicContact CG-CG1 4.5Å; L63-I67 WeakPolarHBondContact O-CG1 3.04Å; L63-I67 PolarHBondContact O-N 3.16Å
64R93.4Very high91Very high26 Ų2656.9 Ų56.910%0.09829%0.291CS..Hα-helixtrans-57.6-45.7174.9-179.7-128.8168.8-109.8-4.2111.3L47 I60 R61 Q62 Q66 I67 V68 L76 W147L47-R64 HydrophobicContact CD1-CB 3.64Å; L47-R64 HydrophobicContact CD1-CG 4.32Å; I60-R64 WeakPolarHBondContact O-CB 3.15Å; I60-R64 PolarHBondContact O-N 3.43Å; R61-R64 PolarHBondContact O-N 3.13Å; Q62-R64 PolarHBondContact O-N 3.46Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.41Å; R64-I67 PolarHBondContact O-N 2.93Å; R64-V68 HydrophobicContact CG-CG2 4.35Å; R64-V68 WeakPolarHBondContact O-CB 3.27Å; R64-V68 VanDerWaalsContact O-CG2 3.29Å; R64-V68 WeakPolarHBondContact O-CG2 3.5Å; R64-V68 PolarHBondContact O-N 3.25Å; R64-L76 HydrophobicContact CB-CD1 4.2Å; R64-L76 HydrophobicContact CG-CD1 3.54Å; R64-L76 HydrophobicContact CG-CD2 4.03Å; R64-L76 HydrophobicContact CG-CG 4.46Å; R64-W147 VanDerWaalsContact CZ-CG 3.45Å; R64-W147 VanDerWaalsContact CZ-NE1 3.34Å; R64-W147 VanDerWaalsContact NE-CD1 3.28Å; R64-W147 VanDerWaalsContact NE-CG 3.28Å; R64-W147 VanDerWaalsContact NH1-CD1 3.3Å; R64-W147 VanDerWaalsContact NH2-CD1 3.31Å
65D92.5Very high91.1Very high70 Ų7052.2 Ų52.237%0.37427%0.27SS..Hα-helixtrans-64.6-36.1-179-67.9-18.2000111.5R61 Q62 L63 S69R61-D65 PolarHBondContact O-N 3Å; R61-D65 VanDerWaalsContact O-N 3.16Å; Q62-D65 PolarHBondContact O-N 2.93Å; L63-D65 VanDerWaalsContact C-N 3.32Å; L63-D65 PolarHBondContact O-N 3.45Å; D65-S69 WeakPolarHBondContact O-CB 3.26Å; D65-S69 PolarHBondContact O-N 3.04Å; D65-S69 PolarHBondContact O-OG 3.02Å
66Q93.7Very high91.2Very high51 Ų5148.5 Ų48.524%0.23824%0.243CC..Hα-helixtrans-67.4-43.5172.2-63.2176.433.200112.7F23 Q62 L63 R64 V68 S69 E70F23-Q66 HydrophobicContact CB-CB 3.83Å; Q62-Q66 WeakPolarHBondContact O-CG 3.42Å; Q62-Q66 PolarHBondContact O-N 3.14Å; Q62-Q66 VanDerWaalsContact O-N 3.12Å; L63-Q66 PolarHBondContact O-N 2.75Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.41Å; Q66-V68 VanDerWaalsContact C-N 3.34Å; Q66-V68 PolarHBondContact O-N 3.41Å; Q66-S69 PolarHBondContact O-N 3.35Å; Q66-S69 PolarHBondContact O-OG 2.79Å; Q66-E70 WeakPolarHBondContact O-CG 3.43Å; Q66-E70 PolarHBondContact O-N 3.49Å
67I93.3Very high91.3Very high2 Ų247.3 Ų47.31%0.0124%0.235CC..Hα-helixtrans-62.6-44.1177.7-71.8167.5000110.7F23 F45 L47 L63 R64 S69 E70 F71 I74 L76F23-I67 HydrophobicContact CD2-CD1 4.28Å; F23-I67 HydrophobicContact CD2-CG1 3.56Å; F23-I67 HydrophobicContact CE2-CD1 4.16Å; F23-I67 HydrophobicContact CE2-CG1 3.56Å; F23-I67 HydrophobicContact CG-CG1 4.06Å; F23-I67 HydrophobicContact CZ-CG1 4.07Å; F45-I67 HydrophobicContact CD1-CD1 4.34Å; F45-I67 HydrophobicContact CD2-CD1 4.12Å; F45-I67 HydrophobicContact CD2-CG2 3.6Å; F45-I67 HydrophobicContact CE2-CD1 4.33Å; F45-I67 HydrophobicContact CE2-CG1 4.39Å; F45-I67 HydrophobicContact CE2-CG2 3.67Å; F45-I67 HydrophobicContact CG-CD1 4.1Å; L47-I67 HydrophobicContact CD2-CD1 3.99Å; L63-I67 HydrophobicContact CD1-CD1 4.22Å; L63-I67 HydrophobicContact CD1-CG1 4.38Å; L63-I67 HydrophobicContact CG-CD1 3.92Å; L63-I67 HydrophobicContact CG-CG1 4.5Å; L63-I67 WeakPolarHBondContact O-CG1 3.04Å; L63-I67 PolarHBondContact O-N 3.16Å; R64-I67 PolarHBondContact O-N 2.93Å; I67-S69 VanDerWaalsContact C-N 3.33Å; I67-E70 PolarHBondContact O-N 3.44Å; I67-F71 PolarHBondContact O-N 3.24Å; I67-I74 HydrophobicContact CG2-CG2 3.56Å; I67-L76 HydrophobicContact CG2-CD1 4.3Å
68V90.7Very high91.4Very high38 Ų3846.9 Ų46.923%0.2323%0.233CC..Hα-helixtrans-68.4-34-179.6172.90000111R64 Q66 E70 F71 N72R64-V68 HydrophobicContact CG-CG2 4.35Å; R64-V68 WeakPolarHBondContact O-CB 3.27Å; R64-V68 VanDerWaalsContact O-CG2 3.29Å; R64-V68 WeakPolarHBondContact O-CG2 3.5Å; R64-V68 PolarHBondContact O-N 3.25Å; Q66-V68 VanDerWaalsContact C-N 3.34Å; Q66-V68 PolarHBondContact O-N 3.41Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 2.75Å; V68-F71 CarbonylContact O-C 3.56Å; V68-F71 PolarHBondContact O-N 2.99Å; V68-N72 WeakPolarHBondContact O-CA 3.25Å; V68-N72 PolarHBondContact O-N 3.18Å; V68-N72 PolarHBondContact O-OD1 3.45Å
69S90.6Very high91.7Very high74 Ų7444 Ų4452%0.51722%0.22SC..Hα-helixtrans-65.2-33.7175.566.50000113D65 Q66 I67D65-S69 WeakPolarHBondContact O-CB 3.26Å; D65-S69 PolarHBondContact O-N 3.04Å; D65-S69 PolarHBondContact O-OG 3.02Å; Q66-S69 PolarHBondContact O-N 3.35Å; Q66-S69 PolarHBondContact O-OG 2.79Å; I67-S69 VanDerWaalsContact C-N 3.33Å
70E89.9Confident91.6Very high69 Ų6940.4 Ų40.432%0.32221%0.206SC..Hα-helixtrans-83.5-35.7175.9-59-54.7134.900112.3F23 Q66 I67 V68F23-E70 HydrophobicContact CD1-CB 4.44Å; F23-E70 HydrophobicContact CD1-CG 3.96Å; F23-E70 HydrophobicContact CE1-CB 4.37Å; F23-E70 HydrophobicContact CE1-CG 4.34Å; Q66-E70 WeakPolarHBondContact O-CG 3.43Å; Q66-E70 PolarHBondContact O-N 3.49Å; I67-E70 PolarHBondContact O-N 3.44Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 2.75Å
71F88.1Confident91.7Very high52 Ų5241.8 Ų41.823%0.22821%0.214CC..  trans-134.782.6-175.2-53.4-66.2000112.2F23 R40 I67 V68 D73 I74F23-F71 HydrophobicContact CE1-CD2 4.18Å; F23-F71 AromaticContact CE1-CE2 3.65Å; F23-F71 HydrophobicContact CE1-CE2 3.65Å; F23-F71 HydrophobicContact CZ-CD2 4.43Å; F23-F71 AromaticContact CZ-CE2 3.94Å; F23-F71 HydrophobicContact CZ-CE2 3.94Å; R40-F71 HydrophobicContact CB-CE2 4.45Å; R40-F71 HydrophobicContact CB-CZ 3.82Å; R40-F71 HydrophobicContact CG-CE2 4.45Å; R40-F71 HydrophobicContact CG-CZ 4.04Å; I67-F71 PolarHBondContact O-N 3.24Å; V68-F71 CarbonylContact O-C 3.56Å; V68-F71 PolarHBondContact O-N 2.99Å; F71-D73 PolarHBondContact O-N 2.98Å; F71-I74 HydrophobicContact CB-CB 3.81Å; F71-I74 HydrophobicContact CB-CD1 4.36Å; F71-I74 HydrophobicContact CB-CG2 3.86Å; F71-I74 HydrophobicContact CD2-CD1 4.24Å; F71-I74 HydrophobicContact CG-CD1 4.38Å; F71-I74 WeakPolarHBondContact O-CG2 3.36Å; F71-I74 PolarHBondContact O-N 2.86Å
72N81.3Confident91.9Very high120 Ų12042.7 Ų42.764%0.64222%0.219SC*.THydrogen-bonded Turntrans-52-26.4-176.4-73.8-31.8000115.1V68V68-N72 WeakPolarHBondContact O-CA 3.25Å; V68-N72 PolarHBondContact O-N 3.18Å; V68-N72 PolarHBondContact O-OD1 3.45Å
73D83.5Confident91.8Very high94 Ų9437.9 Ų37.950%0.50320%0.197SC..THydrogen-bonded Turntrans-12636.1-176.9-69.4-50000113.9F71 R149 R177F71-D73 PolarHBondContact O-N 2.98Å; D73-R149 IonicContact OD1-CZ 3.41Å; D73-R149 IonicContact OD1-NH2 3.34Å; D73-R149 PolarHBondContact OD1-NH2 3.35Å; D73-R177 VanDerWaalsContact C-CZ 3.41Å; D73-R177 PolarHBondContact O-NE 3.48Å; D73-R177 PolarHBondContact O-NH2 2.92Å
74I88.9Confident91.6Very high23 Ų2337.5 Ų37.512%0.11820%0.196CC..  trans-82.9142.6169.3-163.1149.4000112.1A42 F45 I67 F71 L76 R177A42-I74 VanDerWaalsContact O-CD1 3.28Å; A42-I74 WeakPolarHBondContact O-CD1 3.43Å; F45-I74 HydrophobicContact CD2-CD1 3.61Å; F45-I74 HydrophobicContact CD2-CG1 3.92Å; F45-I74 HydrophobicContact CD2-CG2 4.18Å; F45-I74 HydrophobicContact CE2-CD1 3.32Å; F45-I74 HydrophobicContact CE2-CG1 4.15Å; F45-I74 HydrophobicContact CZ-CD1 4.38Å; I67-I74 HydrophobicContact CG2-CG2 3.56Å; F71-I74 HydrophobicContact CB-CB 3.81Å; F71-I74 HydrophobicContact CB-CD1 4.36Å; F71-I74 HydrophobicContact CB-CG2 3.86Å; F71-I74 HydrophobicContact CD2-CD1 4.24Å; F71-I74 HydrophobicContact CG-CD1 4.38Å; F71-I74 WeakPolarHBondContact O-CG2 3.36Å; F71-I74 PolarHBondContact O-N 2.86Å; I74-L76 PolarHBondContact O-N 2.8Å; I74-R177 PolarHBondContact O-NH1 3.2Å; I74-R177 VanDerWaalsContact O-NH1 3.17Å; I74-R177 PolarHBondContact O-NH2 3.06Å
75P91.5Very high91.4Very high7 Ų738.3 Ų38.35%0.04520%0.201CC..  trans-63.4129170.6-23.830.8000111.2S43 A44 F45 I173 L174 R177S43-P75 WeakPolarHBondContact O-CD 3.4Å; S43-P75 VanDerWaalsContact O-CG 3.23Å; S43-P75 WeakPolarHBondContact O-CG 3.43Å; A44-P75 CarbonylContact C-O 3.38Å; A44-P75 WeakPolarHBondContact CA-O 3.26Å; A44-P75 HydrophobicContact CB-CB 3.66Å; A44-P75 HydrophobicContact CB-CG 4.15Å; F45-P75 PolarHBondContact N-O 3.29Å; P75-I173 HydrophobicContact CB-CG2 3.72Å; P75-I173 HydrophobicContact CG-CG2 4.42Å; P75-L174 HydrophobicContact CB-CD2 4.44Å; P75-L174 HydrophobicContact CG-CD2 3.91Å; P75-R177 HydrophobicContact CG-CG 4.28Å
76L93.4Very high90.9Very high11 Ų1136.3 Ų36.36%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-136.8114.3-179.3-165.8152.6000109.5F45 L47 R64 I67 I74 L78 T150F45-L76 WeakPolarHBondContact O-CA 3.46Å; L47-L76 HydrophobicContact CD1-CD1 3.92Å; L47-L76 HydrophobicContact CD1-CD2 3.98Å; L47-L76 HydrophobicContact CD1-CG 4.16Å; L47-L76 HydrophobicContact CG-CD1 4.44Å; L47-L76 HydrophobicContact CG-CD2 4.25Å; L47-L76 HydrophobicContact CG-CG 4.26Å; R64-L76 HydrophobicContact CB-CD1 4.2Å; R64-L76 HydrophobicContact CG-CD1 3.54Å; R64-L76 HydrophobicContact CG-CD2 4.03Å; R64-L76 HydrophobicContact CG-CG 4.46Å; I67-L76 HydrophobicContact CG2-CD1 4.3Å; I74-L76 PolarHBondContact O-N 2.8Å; L76-L78 HydrophobicContact CD2-CD2 3.59Å; L76-L78 HydrophobicContact CD2-CG 4Å; L76-T150 HydrophobicContact CD2-CG2 3.91Å
77L94.8Very high89.8Confident0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-106.1127.8176.3-177.362.6000109F45 I46 L47 V79 I151 V153 V166 E169 L170 I173F45-L77 PolarHBondContact O-N 3.4Å; I46-L77 CarbonylContact C-O 3.58Å; I46-L77 WeakPolarHBondContact CA-O 3.4Å; L47-L77 PolarHBondContact N-O 2.82Å; L77-V79 HydrophobicContact CD2-CG2 4.45Å; L77-V79 HydrophobicContact CG-CG2 4.27Å; L77-I151 HydrophobicContact CD1-CB 3.88Å; L77-I151 HydrophobicContact CD1-CG2 3.98Å; L77-V153 HydrophobicContact CD1-CG2 3.8Å; L77-V166 HydrophobicContact CD2-CG1 3.71Å; L77-V166 VanDerWaalsContact CD2-O 3.22Å; L77-V166 WeakPolarHBondContact CD2-O 3.43Å; L77-E169 HydrophobicContact CD1-CB 4.21Å; L77-L170 HydrophobicContact CD2-CB 3.97Å; L77-I173 HydrophobicContact CB-CD1 4.28Å; L77-I173 HydrophobicContact CD1-CD1 4.06Å
78L95.2Very high88.7Confident0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans-95137.8172.2-62.9-179.8000110.1L47 I60 L76 I143 W147 T150 I151 L152 V153L47-L78 HydrophobicContact CB-CD2 3.72Å; L47-L78 HydrophobicContact CD1-CD2 4.03Å; L47-L78 HydrophobicContact CG-CD2 4.25Å; L47-L78 CarbonylContact O-C 3.56Å; L47-L78 WeakPolarHBondContact O-CA 3.5Å; I60-L78 HydrophobicContact CD1-CD2 3.97Å; L76-L78 HydrophobicContact CD2-CD2 3.59Å; L76-L78 HydrophobicContact CD2-CG 4Å; L78-I143 HydrophobicContact CD1-CD1 4.1Å; L78-I143 HydrophobicContact CD1-CG1 4.33Å; L78-W147 HydrophobicContact CD1-CE3 3.56Å; L78-W147 HydrophobicContact CD1-CH2 4.42Å; L78-W147 HydrophobicContact CD1-CZ3 3.29Å; L78-T150 HydrophobicContact CB-CG2 4.36Å; L78-T150 HydrophobicContact CD1-CG2 3.4Å; L78-T150 VanDerWaalsContact CD1-CG2 3.4Å; L78-T150 HydrophobicContact CD2-CG2 4.4Å; L78-T150 HydrophobicContact CG-CG2 3.41Å; L78-T150 VanDerWaalsContact CG-CG2 3.41Å; L78-I151 PolarHBondContact N-O 2.93Å; L78-L152 HydrophobicContact CB-CD1 3.88Å; L78-L152 WeakPolarHBondContact O-CA 3.29Å; L78-V153 PolarHBondContact O-N 2.87Å
79V95.9Very high87.3Confident4 Ų445 Ų452%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-127115.4180-178.10000110I46 L47 V48 F49 L77 N81 V153 C155 V166I46-V79 HydrophobicContact CG2-CB 4.4Å; I46-V79 HydrophobicContact CG2-CG2 3.47Å; I46-V79 VanDerWaalsContact CG2-CG2 3.47Å; L47-V79 PolarHBondContact O-N 2.86Å; V48-V79 WeakPolarHBondContact CA-O 3.31Å; V48-V79 HydrophobicContact CB-CB 4.46Å; V48-V79 HydrophobicContact CG1-CB 4.31Å; V48-V79 HydrophobicContact CG1-CG1 4.29Å; V48-V79 HydrophobicContact CG2-CB 4.13Å; F49-V79 VanDerWaalsContact CD1-O 3.25Å; F49-V79 WeakPolarHBondContact CD1-O 3.38Å; F49-V79 PolarHBondContact N-O 2.69Å; L77-V79 HydrophobicContact CD2-CG2 4.45Å; L77-V79 HydrophobicContact CG-CG2 4.27Å; V79-N81 PolarHBondContact O-N 3.39Å; V79-V153 CarbonylContact C-O 3.42Å; V79-V153 VanDerWaalsContact CA-O 3.3Å; V79-V153 WeakPolarHBondContact CA-O 3.31Å; V79-C155 HydrophobicContact CG1-CB 4.42Å; V79-C155 WeakPolarHBondContact CG1-SG 3.22Å; V79-V166 HydrophobicContact CG1-CG2 4.06Å; V79-V166 HydrophobicContact CG2-CG1 3.65Å; V79-V166 HydrophobicContact CG2-CG2 4.12Å
80A94.4Very high86Confident2 Ų244.2 Ų44.22%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-85.397.2170.400000108.7F49 V51 I83 L152 V153 E154 C155F49-A80 HydrophobicContact CE1-CB 3.71Å; F49-A80 HydrophobicContact CE2-CB 4Å; F49-A80 HydrophobicContact CZ-CB 3.32Å; V51-A80 HydrophobicContact CG1-CB 3.74Å; A80-I83 WeakPolarHBondContact O-CG2 3.29Å; A80-L152 HydrophobicContact CB-CD1 4.09Å; A80-V153 PolarHBondContact N-O 3.47Å; A80-E154 HydrophobicContact CB-CG 4.11Å; A80-E154 WeakPolarHBondContact O-CA 3.32Å; A80-C155 PolarHBondContact O-N 3.34Å
81N95.7Very high84.5Confident32 Ų3245.8 Ų45.817%0.17124%0.238CC..EExtended strand (participates in β ladder)trans-89.7163.3-177.9-168.721.9000111.7V48 F49 V51 V79 C155 A157V48-N81 HydrophobicContact CG1-CB 3.65Å; F49-N81 PolarHBondContact O-N 2.71Å; V51-N81 WeakPolarHBondContact CG1-O 3.29Å; V51-N81 WeakPolarHBondContact CG2-O 3.49Å; V51-N81 PolarHBondContact N-O 2.71Å; V79-N81 PolarHBondContact O-N 3.39Å; N81-C155 CarbonylContact C-O 3.6Å; N81-C155 WeakPolarHBondContact CA-O 3.21Å; N81-A157 PolarHBondContact OD1-N 3.34Å; N81-A157 VanDerWaalsContact OD1-N 3.09Å
82K94.7Very high82.9Confident88 Ų8846.2 Ų46.238%0.38326%0.258SS..  trans66.934.8179.5-43.6-168.4-162.5166.10114.1D50 V51 D84 L85 C155D50-K82 HydrophobicContact CB-CD 4.42Å; D50-K82 VanDerWaalsContact OD2-CD 3.3Å; D50-K82 WeakPolarHBondContact OD2-CD 3.41Å; D50-K82 VanDerWaalsContact OD2-CE 3.22Å; D50-K82 WeakPolarHBondContact OD2-CE 3.17Å; D50-K82 IonicContact OD2-NZ 2.69Å; D50-K82 PolarHBondContact OD2-NZ 3Å; V51-K82 HydrophobicContact CG2-CB 4.4Å; V51-K82 WeakPolarHBondContact CG2-O 3.33Å; K82-D84 WeakPolarHBondContact CA-OD1 3.36Å; K82-D84 PolarHBondContact O-N 3.03Å; K82-L85 HydrophobicContact CB-CD1 3.8Å; K82-L85 HydrophobicContact CB-CG 4.06Å; K82-L85 HydrophobicContact CD-CD1 4Å; K82-L85 WeakPolarHBondContact O-CB 3.19Å; K82-L85 WeakPolarHBondContact O-CG 3.47Å; K82-L85 PolarHBondContact O-N 2.88Å; K82-C155 PolarHBondContact N-O 3.01Å; K82-C155 VanDerWaalsContact N-O 3.07Å
83I91.8Very high81.5Confident18 Ų1849.1 Ų49.19%0.09227%0.265CS..THydrogen-bonded Turntrans-59.6-19.2178.667.9176.6000114V51 A80 L85 L86 E154 C155 W161V51-I83 HydrophobicContact CG1-CG2 4.08Å; A80-I83 WeakPolarHBondContact O-CG2 3.29Å; I83-L85 PolarHBondContact O-N 3.27Å; I83-L86 HydrophobicContact CB-CD1 4.41Å; I83-L86 VanDerWaalsContact O-CB 3.26Å; I83-L86 WeakPolarHBondContact O-CB 3.37Å; I83-L86 PolarHBondContact O-N 2.9Å; I83-E154 HydrophobicContact CD1-CB 4.45Å; I83-E154 HydrophobicContact CG2-CB 3.82Å; I83-C155 WeakPolarHBondContact CG1-O 2.94Å; I83-C155 WeakPolarHBondContact CG2-O 3.4Å; I83-C155 PolarHBondContact N-O 3Å; I83-W161 HydrophobicContact CG1-CE3 4.41Å
84D90.9Very high79.6Confident7 Ų749.8 Ų49.84%0.03727%0.269CS..Hα-helixtrans-60.4-27.4172.156.8-73.9000112.8K82 L86 Q87 Q88 S156 Y159 W161K82-D84 WeakPolarHBondContact CA-OD1 3.36Å; K82-D84 PolarHBondContact O-N 3.03Å; D84-L86 PolarHBondContact O-N 3.25Å; D84-Q87 PolarHBondContact O-N 3.43Å; D84-Q88 WeakPolarHBondContact O-CG 3.24Å; D84-Q88 PolarHBondContact O-N 3Å; D84-Q88 VanDerWaalsContact O-N 3.08Å; D84-Q88 PolarHBondContact OD2-NE2 3.18Å; D84-S156 VanDerWaalsContact OD1-CB 3.31Å; D84-S156 WeakPolarHBondContact OD1-CB 3.3Å; D84-S156 PolarHBondContact OD1-OG 3.5Å; D84-Y159 HydrophobicContact CB-CD2 3.55Å; D84-Y159 HydrophobicContact CB-CE2 3.47Å; D84-Y159 VanDerWaalsContact CB-CE2 3.47Å; D84-W161 HydrophobicContact CB-CZ3 4.23Å
85L88.1Confident77.2Confident42 Ų4253.6 Ų53.622%0.2230%0.297CS..Hα-helixtrans-72.6-13173.9-57-178.4000113.2N52 K82 I83 R132N52-L85 HydrophobicContact CB-CD1 4.01Å; K82-L85 HydrophobicContact CB-CD1 3.8Å; K82-L85 HydrophobicContact CB-CG 4.06Å; K82-L85 HydrophobicContact CD-CD1 4Å; K82-L85 WeakPolarHBondContact O-CB 3.19Å; K82-L85 WeakPolarHBondContact O-CG 3.47Å; K82-L85 PolarHBondContact O-N 2.88Å; I83-L85 PolarHBondContact O-N 3.27Å; L85-R132 PolarHBondContact O-NE 3.44Å; L85-R132 PolarHBondContact O-NH2 3.08Å
86L82.3Confident74.4Confident28 Ų2859.9 Ų59.915%0.14733%0.33CS..Hα-helixtrans-79.7-38.7169.6-56.7177.5000110.5V51 I83 D84 A90 R132V51-L86 HydrophobicContact CB-CD1 4.41Å; V51-L86 HydrophobicContact CB-CD2 4.22Å; V51-L86 HydrophobicContact CB-CG 4.37Å; V51-L86 HydrophobicContact CG1-CD1 4.44Å; V51-L86 HydrophobicContact CG2-CD1 4.4Å; V51-L86 HydrophobicContact CG2-CD2 4.05Å; V51-L86 HydrophobicContact CG2-CG 3.95Å; I83-L86 HydrophobicContact CB-CD1 4.41Å; I83-L86 VanDerWaalsContact O-CB 3.26Å; I83-L86 WeakPolarHBondContact O-CB 3.37Å; I83-L86 PolarHBondContact O-N 2.9Å; D84-L86 PolarHBondContact O-N 3.25Å; L86-A90 PolarHBondContact O-N 3.44Å; L86-R132 HydrophobicContact CD2-CB 3.74Å; L86-R132 HydrophobicContact CD2-CG 3.46Å; L86-R132 VanDerWaalsContact CD2-CG 3.46Å
87Q70.2Confident71.7Confident91 Ų9166.2 Ų66.243%0.42537%0.365SS..Hα-helixtrans-77.4-37.3-176.4-170.4174.318.700113D84 M89 A90 N91D84-Q87 PolarHBondContact O-N 3.43Å; Q87-M89 PolarHBondContact O-N 3.24Å; Q87-M89 VanDerWaalsContact O-N 3.17Å; Q87-A90 PolarHBondContact O-N 2.85Å; Q87-N91 PolarHBondContact O-N 3.16Å
88Q69.9Low69Low101 Ų10175.5 Ų75.547%0.47241%0.405SS..Hα-helixtrans-57.3-32177.9-75172.249.300112.5D84 G92D84-Q88 WeakPolarHBondContact O-CG 3.24Å; D84-Q88 PolarHBondContact O-N 3Å; D84-Q88 VanDerWaalsContact O-N 3.08Å; D84-Q88 PolarHBondContact OD2-NE2 3.18Å; Q88-G92 PolarHBondContact O-N 3.12Å
89M62.1Low66.3Low81 Ų8182.7 Ų82.740%0.39944%0.442SS..Hα-helixtrans-79.3-36.6175.8-64.2-172.9179.100112.6Q87 N91 G92 F93 R132Q87-M89 PolarHBondContact O-N 3.24Å; Q87-M89 VanDerWaalsContact O-N 3.17Å; M89-N91 PolarHBondContact O-N 3.46Å; M89-G92 PolarHBondContact O-N 2.78Å; M89-F93 WeakPolarHBondContact O-CD2 3.32Å; M89-R132 VanDerWaalsContact CE-CZ 3.41Å; M89-R132 VanDerWaalsContact CE-NH1 3.29Å; M89-R132 PolarHBondContact SD-NH1 3.43Å; M89-R132 VanDerWaalsContact SD-NH1 3.42Å
90A62.9Low63.6Low58 Ų5887.1 Ų87.148%0.47947%0.471SS..Hα-helixtrans-61.7-34.2173.600000111.7L86 Q87L86-A90 PolarHBondContact O-N 3.44Å; Q87-A90 PolarHBondContact O-N 2.85Å
91N57.9Low61Low102 Ų10291.1 Ų91.155%0.54550%0.499SS..Hα-helixtrans-82.3-15.6178.2-66.3-5.4000113.5Q87 M89 F93Q87-N91 PolarHBondContact O-N 3.16Å; M89-N91 PolarHBondContact O-N 3.46Å; N91-F93 VanDerWaalsContact C-N 3.35Å
92G54.9Low58.6Low62 Ų6297.3 Ų97.364%0.63952%0.524SS*.Hα-helixtrans-78.4-16.4175.300000114.1Q88 M89Q88-G92 PolarHBondContact O-N 3.12Å; M89-G92 PolarHBondContact O-N 2.78Å
93F52.7Low55.7Low181 Ų181103.8 Ų103.879%0.79455%0.548SS*.SBendtrans-104.569.8171.3-67.7-78.7000109.6M89 N91M89-F93 WeakPolarHBondContact O-CD2 3.32Å; N91-F93 VanDerWaalsContact C-N 3.35Å
94N43Very low53Low108 Ų108107.3 Ų107.358%0.57857%0.574SS**  trans-139.791.8170.3-96.4-34.2000110.7
95S38.2Very low50.5Low103 Ų103113.1 Ų113.172%0.7261%0.61SS**SBend-137.7118.5114.949.20000107.9
96N33.1Very low48Very low138 Ų138117.5 Ų117.574%0.73864%0.641SS**SBendtrans96.296.9168.8-45.2-31000116.1
97N36.4Very low46Very low145 Ų145121.4 Ų121.478%0.77567%0.671SS**  trans74.774.9150.7-53.4-25.9000117.6
98F38.9Very low44.4Very low194 Ų194123.3 Ų123.385%0.85169%0.689SS**  trans-151.2111.4142.8-112.1-81.5000111.5P100F98-P100 WeakPolarHBondContact O-CD 3.28Å
99I38.4Very low42.9Very low152 Ų152123.3 Ų123.378%0.77970%0.7SS**  trans-70.5119168.5-59.8172000106.7S101I99-S101 PolarHBondContact O-N 3.22Å
100P38Very low42Very low97 Ų97125 Ų12563%0.6372%0.719SS**  trans-75.297.2172-6.623.6000107.7F98 F102F98-P100 WeakPolarHBondContact O-CD 3.28Å; P100-F102 HydrophobicContact CB-CD2 4.43Å; P100-F102 HydrophobicContact CB-CE2 4.03Å; P100-F102 VanDerWaalsContact O-CD2 3.29Å; P100-F102 WeakPolarHBondContact O-CD2 3.33Å; P100-F102 PolarHBondContact O-N 3.21Å
101S40.4Very low40.8Very low85 Ų85128 Ų12859%0.59474%0.737SS**  trans-72.494170.855.30000109.3I99 Y103I99-S101 PolarHBondContact O-N 3.22Å; S101-Y103 PolarHBondContact O-N 3.29Å
102F45.6Very low40.1Very low162 Ų162127.9 Ų127.971%0.71175%0.75SS**SBendtrans-61.4123.2157.1-67.4-95.4000106.4P100P100-F102 HydrophobicContact CB-CD2 4.43Å; P100-F102 HydrophobicContact CB-CE2 4.03Å; P100-F102 VanDerWaalsContact O-CD2 3.29Å; P100-F102 WeakPolarHBondContact O-CD2 3.33Å; P100-F102 PolarHBondContact O-N 3.21Å
103Y34Very low39.2Very low225 Ų225131.2 Ų131.288%0.88276%0.758SS**SBendtrans72.777.9178.8-40.6-78.2000115.7S101S101-Y103 PolarHBondContact O-N 3.29Å
104S35.5Very low38.7Very low91 Ų91130.5 Ų130.564%0.63676%0.761SS**  trans-158.1137.9153.6-2.80000112.8
105T37.3Very low38.7Very low130 Ų130132.6 Ų132.680%0.79877%0.771SS**  trans-61.7154.2-179.239.70000114.2
106P37.1Very low38.7Very low134 Ų134133.1 Ų133.187%0.8777%0.774SS**  trans-81.2122.7-175.832-31.1000111.8
107S40.1Very low39Very low110 Ų110133 Ų13377%0.76978%0.779SS**  trans-118.6111.7160.455.70000110.4
108T36.9Very low39Very low131 Ų131132.5 Ų132.580%0.80478%0.784SS**  trans25.1132.2142.7-22.40000121.7
109S38.5Very low38.9Very low100 Ų100126.4 Ų126.470%0.69978%0.775SS**  trans69.4112.9148.153.80000119.9
110S41.9Very low38.8Very low116 Ų116128.1 Ų128.181%0.81178%0.78SS**  172.414397.5-71.70000112.3
111S38.4Very low38.7Very low122 Ų122128.8 Ų128.885%0.85379%0.787SS**  trans-66.8147.4-173.2-46.40000114.6
112A42.7Very low38.2Very low100 Ų100133.4 Ų133.483%0.82680%0.799SS**  trans-145.9119.4154.800000110.7
113T35.4Very low37.6Very low131 Ų131132.1 Ų132.180%0.80480%0.798SS**  trans-73.8134.8179.1-45.60000110.6
114I44Very low37.5Very low167 Ų167126 Ų12686%0.85678%0.784SS**  trans-127.4128.3163.6-58.7-179.5000109.8
115I41.2Very low37.5Very low152 Ų152129.2 Ų129.278%0.77979%0.789SS**  trans-66.8136.8-174.4-70157.3000111.5
116S39.6Very low37.5Very low113 Ų113131.8 Ų131.879%0.7979%0.789SS**  trans-86.3132.9173.642.20000111.7
117T38.2Very low38.1Very low137 Ų137130.7 Ų130.784%0.8478%0.776SS**  trans-111.1130.3161.823.90000108.4
118P37.2Very low39Very low134 Ų134128.5 Ų128.587%0.8776%0.756SS**  trans-94.2132.1-178.433.5-28.2000111.2
119G37.4Very low40.1Very low66 Ų66124.6 Ų124.668%0.6873%0.734SS**  trans137.479.7165.300000114.3
120Q36.3Very low41.2Very low187 Ų187124.5 Ų124.587%0.87473%0.726SS**SBendtrans179.9110146.2-97.9156.629.200108.8
121S34.6Very low42.4Very low111 Ų111120.6 Ų120.678%0.77669%0.694SS**  trans23102.3153.840.10000117.8I123S121-I123 PolarHBondContact O-N 2.75Å
122Q31.3Very low43.7Very low182 Ų182115.6 Ų115.685%0.8566%0.656SS**  trans-67.590.6170.6-66.8-171-4.900111.3T124Q122-T124 HydrophobicContact CB-CG2 4.48Å
123I32.8Very low44.6Very low136 Ų136117.6 Ų117.670%0.69765%0.646SS**  trans-87.2103.1142.6-60.1174.6000104.3S121 H125S121-I123 PolarHBondContact O-N 2.75Å; I123-H125 PolarHBondContact O-N 2.82Å
124T30.7Very low46.2Very low95 Ų95115 Ų11558%0.58363%0.627SS**  trans-69.276.3175.151.30000109.5Q122 F126Q122-T124 HydrophobicContact CB-CG2 4.48Å; T124-F126 PolarHBondContact O-N 3.38Å
125H35.1Very low47.6Very low160 Ų160107.3 Ų107.374%0.74159%0.588SS**  trans-65.687.1152-81.2-73.2000106.1I123 N127I123-H125 PolarHBondContact O-N 2.82Å; H125-N127 PolarHBondContact O-N 3.12Å
126F39.2Very low49.2Very low183 Ų183105 Ų10580%0.80357%0.569SS**  trans-50.6114.1170-91.4-90.1000107.6T124 N128T124-F126 PolarHBondContact O-N 3.38Å; F126-N128 PolarHBondContact O-N 3.04Å
127N49.3Very low50.9Low111 Ų111107.3 Ų107.359%0.59456%0.561SS**  trans-53.1107.3-172-106.6-24000109.8H125 S129 N130H125-N127 PolarHBondContact O-N 3.12Å; N127-S129 PolarHBondContact O-N 3.33Å; N127-N130 PolarHBondContact O-N 3.44Å
128N57.8Low52.7Low65 Ų65104.1 Ų104.135%0.34854%0.539SS..Hα-helixtrans-61.4-14-176.5-157.2-7.3000112.6N52 F126 R132N52-N128 PolarHBondContact OD1-ND2 2.81Å; N52-N128 PolarHBondContact OD1-OD1 2.76Å; F126-N128 PolarHBondContact O-N 3.04Å; N128-R132 PolarHBondContact ND2-NH1 3.16Å; N128-R132 VanDerWaalsContact ND2-NH1 3.19Å; N128-R132 WeakPolarHBondContact O-CG 3.26Å; N128-R132 PolarHBondContact O-NH1 3.24Å; N128-R132 PolarHBondContact OD1-NH1 3.13Å
129S60.1Low54.7Low49 Ų4997.9 Ų97.934%0.34350%0.498SS..Hα-helixtrans-70.1-46.6170.151.20000112.7N127 Y131 R132 F133N127-S129 PolarHBondContact O-N 3.33Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 3.28Å; S129-R132 PolarHBondContact O-N 2.87Å; S129-F133 WeakPolarHBondContact O-CD2 3.18Å; S129-F133 PolarHBondContact O-N 2.96Å
130N62.7Low56.7Low98 Ų9898.2 Ų98.252%0.52448%0.484SS..Hα-helixtrans-63.6-42-179.8-73.7-29.7000111.2N127 R132 F133 N134N127-N130 PolarHBondContact O-N 3.44Å; N130-R132 VanDerWaalsContact C-N 3.35Å; N130-R132 PolarHBondContact O-N 2.86Å; N130-F133 PolarHBondContact O-N 3.32Å; N130-N134 WeakPolarHBondContact O-CB 3.22Å; N130-N134 VanDerWaalsContact O-CG 3.23Å; N130-N134 PolarHBondContact O-N 2.76Å; N130-N134 VanDerWaalsContact O-N 3.14Å; N130-N134 PolarHBondContact O-ND2 3.47Å; N130-N134 VanDerWaalsContact O-ND2 3.14Å
131Y66.4Low58.7Low34 Ų3493.4 Ų93.413%0.13346%0.463CS..Hα-helixtrans-56-49.4176.8-179.8-105.1000111.3E54 S129 F133 N134 I135E54-Y131 WeakPolarHBondContact CA-OH 3.3Å; E54-Y131 HydrophobicContact CB-CD2 3.85Å; E54-Y131 HydrophobicContact CB-CE1 4.11Å; E54-Y131 HydrophobicContact CB-CE2 3.3Å; E54-Y131 VanDerWaalsContact CB-CZ 3.45Å; E54-Y131 HydrophobicContact CG-CD2 4.04Å; E54-Y131 HydrophobicContact CG-CE2 3.32Å; E54-Y131 WeakPolarHBondContact OE2-CD2 3.4Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 3.28Å; Y131-F133 PolarHBondContact O-N 3.09Å; Y131-N134 PolarHBondContact O-N 2.84Å; Y131-I135 HydrophobicContact CE1-CB 4.36Å; Y131-I135 HydrophobicContact CE1-CD1 3.75Å; Y131-I135 HydrophobicContact CE1-CG1 4.16Å; Y131-I135 HydrophobicContact CE2-CG1 4.25Å; Y131-I135 WeakPolarHBondContact O-CB 3.38Å; Y131-I135 PolarHBondContact O-N 2.84Å; Y131-I135 WeakPolarHBondContact OH-CD1 3.44Å; Y131-I135 WeakPolarHBondContact OH-CG1 3.44Å
132R65Low60.9Low16 Ų1689.3 Ų89.36%0.0643%0.432CS..Hα-helixtrans-66.1-38.5-176.9-74.8174.6163.393-9.4114.9N52 L85 L86 M89 N128 S129 N130 N134 I135N52-R132 PolarHBondContact OD1-NH1 3.34Å; N52-R132 PolarHBondContact OD1-NH2 3.5Å; L85-R132 PolarHBondContact O-NE 3.44Å; L85-R132 PolarHBondContact O-NH2 3.08Å; L86-R132 HydrophobicContact CD2-CB 3.74Å; L86-R132 HydrophobicContact CD2-CG 3.46Å; L86-R132 VanDerWaalsContact CD2-CG 3.46Å; M89-R132 VanDerWaalsContact CE-CZ 3.41Å; M89-R132 VanDerWaalsContact CE-NH1 3.29Å; M89-R132 PolarHBondContact SD-NH1 3.43Å; M89-R132 VanDerWaalsContact SD-NH1 3.42Å; N128-R132 PolarHBondContact ND2-NH1 3.16Å; N128-R132 VanDerWaalsContact ND2-NH1 3.19Å; N128-R132 WeakPolarHBondContact O-CG 3.26Å; N128-R132 PolarHBondContact O-NH1 3.24Å; N128-R132 PolarHBondContact OD1-NH1 3.13Å; S129-R132 PolarHBondContact O-N 2.87Å; N130-R132 VanDerWaalsContact C-N 3.35Å; N130-R132 PolarHBondContact O-N 2.86Å; R132-N134 VanDerWaalsContact C-N 3.35Å; R132-I135 WeakPolarHBondContact O-CG2 3.41Å
133F62.9Low63.3Low143 Ų14381.5 Ų81.563%0.62740%0.396SS*.Hα-helixtrans-71.5-35.2177.4-82.5-76.7000111.9S129 N130 Y131 R137S129-F133 WeakPolarHBondContact O-CD2 3.18Å; S129-F133 PolarHBondContact O-N 2.96Å; N130-F133 PolarHBondContact O-N 3.32Å; Y131-F133 PolarHBondContact O-N 3.09Å; F133-R137 PolarHBondContact O-NH1 3.33Å
134N69.1Low65.3Low75 Ų7582.9 Ų82.940%0.40140%0.397SS..Hα-helixtrans-75.4-39.6178.7-67.9-21000110.7N130 Y131 R132 R136 R137 D138N130-N134 WeakPolarHBondContact O-CB 3.22Å; N130-N134 VanDerWaalsContact O-CG 3.23Å; N130-N134 PolarHBondContact O-N 2.76Å; N130-N134 VanDerWaalsContact O-N 3.14Å; N130-N134 PolarHBondContact O-ND2 3.47Å; N130-N134 VanDerWaalsContact O-ND2 3.14Å; Y131-N134 PolarHBondContact O-N 2.84Å; R132-N134 VanDerWaalsContact C-N 3.35Å; N134-R136 VanDerWaalsContact C-N 3.33Å; N134-R136 PolarHBondContact O-N 3.33Å; N134-R137 PolarHBondContact O-N 2.92Å; N134-D138 WeakPolarHBondContact CB-OD2 3.49Å; N134-D138 VanDerWaalsContact O-CB 3.27Å; N134-D138 WeakPolarHBondContact O-CB 3.32Å; N134-D138 PolarHBondContact O-N 2.81Å
135I72.5Confident67.6Low6 Ų685.4 Ų85.43%0.03140%0.4CS..Hα-helixtrans-56.1-43.7-174.7-147.4-160.3000112.5F49 F57 Y131 R132 R137 D138 I139F49-I135 HydrophobicContact CD2-CD1 4.25Å; F49-I135 HydrophobicContact CE2-CD1 3.58Å; F49-I135 HydrophobicContact CZ-CD1 4.42Å; F57-I135 HydrophobicContact CB-CD1 4.4Å; F57-I135 HydrophobicContact CG-CD1 4.46Å; Y131-I135 HydrophobicContact CE1-CB 4.36Å; Y131-I135 HydrophobicContact CE1-CD1 3.75Å; Y131-I135 HydrophobicContact CE1-CG1 4.16Å; Y131-I135 HydrophobicContact CE2-CG1 4.25Å; Y131-I135 WeakPolarHBondContact O-CB 3.38Å; Y131-I135 PolarHBondContact O-N 2.84Å; Y131-I135 WeakPolarHBondContact OH-CD1 3.44Å; Y131-I135 WeakPolarHBondContact OH-CG1 3.44Å; R132-I135 WeakPolarHBondContact O-CG2 3.41Å; I135-R137 PolarHBondContact O-N 3.44Å; I135-D138 PolarHBondContact O-N 3.18Å; I135-I139 HydrophobicContact CB-CD1 4.4Å; I135-I139 HydrophobicContact CD1-CD1 3.57Å; I135-I139 HydrophobicContact CD1-CG1 4.5Å; I135-I139 HydrophobicContact CG1-CD1 3.49Å; I135-I139 VanDerWaalsContact CG1-CD1 3.49Å; I135-I139 HydrophobicContact CG1-CG1 3.96Å; I135-I139 WeakPolarHBondContact O-CB 3.28Å; I135-I139 WeakPolarHBondContact O-CD1 3.32Å; I135-I139 WeakPolarHBondContact O-CG1 3.39Å; I135-I139 PolarHBondContact O-N 3.46Å
136R74.6Confident69.6Low103 Ų10383.2 Ų83.239%0.38939%0.39SS..Hα-helixtrans-63-43.7178.6-81.1-179.8165.2176.2-4111.5N134 N140 E154N134-R136 VanDerWaalsContact C-N 3.33Å; N134-R136 PolarHBondContact O-N 3.33Å; R136-N140 VanDerWaalsContact O-CB 3.26Å; R136-N140 WeakPolarHBondContact O-CB 3.49Å; R136-N140 VanDerWaalsContact O-CG 3.31Å; R136-N140 PolarHBondContact O-N 3.43Å; R136-N140 VanDerWaalsContact O-N 3.13Å; R136-N140 PolarHBondContact O-ND2 3.45Å; R136-E154 IonicContact CZ-OE1 2.93Å; R136-E154 IonicContact CZ-OE2 2.71Å; R136-E154 IonicContact NE-OE1 3.9Å; R136-E154 PolarHBondContact NE-OE1 2.82Å; R136-E154 IonicContact NE-OE2 3.36Å; R136-E154 PolarHBondContact NE-OE2 3.49Å; R136-E154 IonicContact NH2-OE1 2.88Å; R136-E154 PolarHBondContact NH2-OE1 2.93Å; R136-E154 IonicContact NH2-OE2 3.63Å; R136-E154 PolarHBondContact NH2-OE2 2.99Å
137R76.4Confident71.8Confident163 Ų16374.6 Ų74.662%0.61535%0.352SS*.Hα-helixtrans-72-43.9-179.8-64.8-168.6-171.2100.7-4.3111.2F133 N134 I135 N140 M141F133-R137 PolarHBondContact O-NH1 3.33Å; N134-R137 PolarHBondContact O-N 2.92Å; I135-R137 PolarHBondContact O-N 3.44Å; R137-N140 PolarHBondContact O-N 3.34Å; R137-M141 VanDerWaalsContact O-CB 3.28Å; R137-M141 WeakPolarHBondContact O-CB 3.45Å; R137-M141 PolarHBondContact O-N 3.24Å
138D76.2Confident72.6Confident70 Ų7077.2 Ų77.237%0.37436%0.358SS..Hα-helixtrans-66.4-45.9-178.6-67.1-17.8000111N134 I135 M141 I142N134-D138 WeakPolarHBondContact CB-OD2 3.49Å; N134-D138 VanDerWaalsContact O-CB 3.27Å; N134-D138 WeakPolarHBondContact O-CB 3.32Å; N134-D138 PolarHBondContact O-N 2.81Å; I135-D138 PolarHBondContact O-N 3.18Å; D138-M141 CarbonylContact O-C 3.57Å; D138-M141 PolarHBondContact O-N 3.02Å; D138-I142 WeakPolarHBondContact O-CB 3.37Å; D138-I142 WeakPolarHBondContact O-CD1 3.22Å; D138-I142 WeakPolarHBondContact O-CG1 3.39Å; D138-I142 PolarHBondContact O-N 3.47Å
139I79.3Confident73.4Confident3 Ų382.7 Ų82.72%0.01537%0.374CS..Hα-helixtrans-61.6-48.6174.5-67169.4000110F49 F57 I135 M141 I142 I143 L152F49-I139 HydrophobicContact CE1-CD1 4.21Å; F49-I139 HydrophobicContact CE2-CD1 3.78Å; F49-I139 HydrophobicContact CZ-CD1 3.34Å; F57-I139 HydrophobicContact CD2-CD1 3.96Å; F57-I139 HydrophobicContact CD2-CG1 4.08Å; F57-I139 HydrophobicContact CE1-CG1 4.25Å; F57-I139 HydrophobicContact CE2-CD1 3.85Å; F57-I139 HydrophobicContact CE2-CG1 3.51Å; F57-I139 HydrophobicContact CZ-CD1 4.39Å; F57-I139 HydrophobicContact CZ-CG1 3.61Å; I135-I139 HydrophobicContact CB-CD1 4.4Å; I135-I139 HydrophobicContact CD1-CD1 3.57Å; I135-I139 HydrophobicContact CD1-CG1 4.5Å; I135-I139 HydrophobicContact CG1-CD1 3.49Å; I135-I139 VanDerWaalsContact CG1-CD1 3.49Å; I135-I139 HydrophobicContact CG1-CG1 3.96Å; I135-I139 WeakPolarHBondContact O-CB 3.28Å; I135-I139 WeakPolarHBondContact O-CD1 3.32Å; I135-I139 WeakPolarHBondContact O-CG1 3.39Å; I135-I139 PolarHBondContact O-N 3.46Å; I139-M141 PolarHBondContact O-N 2.9Å; I139-I142 PolarHBondContact O-N 2.83Å; I139-I143 HydrophobicContact CG2-CD1 3.41Å; I139-I143 VanDerWaalsContact CG2-CD1 3.41Å; I139-I143 HydrophobicContact CG2-CG1 3.97Å; I139-I143 WeakPolarHBondContact O-CB 3.29Å; I139-I143 VanDerWaalsContact O-CG1 3.24Å; I139-I143 WeakPolarHBondContact O-CG1 3.45Å; I139-I143 PolarHBondContact O-N 3.26Å; I139-L152 HydrophobicContact CB-CD2 4.49Å; I139-L152 HydrophobicContact CG2-CD1 4.27Å; I139-L152 HydrophobicContact CG2-CD2 3.73Å; I139-L152 HydrophobicContact CG2-CG 4.5Å
140N77.7Confident74.6Confident72 Ų7281.1 Ų81.139%0.38536%0.362SS..Hα-helixtrans-59.9-36.9178-83.7-55.2000111.6R136 R137 K144R136-N140 VanDerWaalsContact O-CB 3.26Å; R136-N140 WeakPolarHBondContact O-CB 3.49Å; R136-N140 VanDerWaalsContact O-CG 3.31Å; R136-N140 PolarHBondContact O-N 3.43Å; R136-N140 VanDerWaalsContact O-N 3.13Å; R136-N140 PolarHBondContact O-ND2 3.45Å; R137-N140 PolarHBondContact O-N 3.34Å; N140-K144 VanDerWaalsContact O-CB 3.29Å; N140-K144 WeakPolarHBondContact O-CB 3.29Å; N140-K144 WeakPolarHBondContact O-CD 3.15Å; N140-K144 WeakPolarHBondContact O-CG 3.48Å; N140-K144 PolarHBondContact O-N 3.49Å
141M79.9Confident75.8Confident87 Ų8778.2 Ų78.243%0.42935%0.346SS..Hα-helixtrans-69.2-44.9175.8-176.8172.459.700112R137 D138 I139 K144 K145R137-M141 VanDerWaalsContact O-CB 3.28Å; R137-M141 WeakPolarHBondContact O-CB 3.45Å; R137-M141 PolarHBondContact O-N 3.24Å; D138-M141 CarbonylContact O-C 3.57Å; D138-M141 PolarHBondContact O-N 3.02Å; I139-M141 PolarHBondContact O-N 2.9Å; M141-K144 PolarHBondContact O-N 2.94Å; M141-K145 HydrophobicContact CG-CD 3.87Å; M141-K145 HydrophobicContact CG-CG 4.43Å; M141-K145 WeakPolarHBondContact O-CB 3.2Å; M141-K145 WeakPolarHBondContact O-CG 3.28Å; M141-K145 PolarHBondContact O-N 3.41Å; M141-K145 PolarHBondContact SD-NZ 2.96Å; M141-K145 VanDerWaalsContact SD-NZ 3.44Å
142I81.2Confident77.1Confident25 Ų2578.3 Ų78.313%0.12835%0.349CS..Hα-helixtrans-62.3-47.2177.3-70163.2000109.8F57 D138 I139 K144 K145 Q146 W147F57-I142 HydrophobicContact CE1-CD1 4.14Å; F57-I142 HydrophobicContact CZ-CD1 4.12Å; D138-I142 WeakPolarHBondContact O-CB 3.37Å; D138-I142 WeakPolarHBondContact O-CD1 3.22Å; D138-I142 WeakPolarHBondContact O-CG1 3.39Å; D138-I142 PolarHBondContact O-N 3.47Å; I139-I142 PolarHBondContact O-N 2.83Å; I142-K144 PolarHBondContact O-N 3.4Å; I142-K145 PolarHBondContact O-N 3.05Å; I142-Q146 WeakPolarHBondContact O-CB 3.2Å; I142-Q146 PolarHBondContact O-N 2.81Å; I142-W147 HydrophobicContact CG2-CD2 4.03Å; I142-W147 HydrophobicContact CG2-CE3 4.25Å; I142-W147 HydrophobicContact CG2-CH2 4.12Å; I142-W147 HydrophobicContact CG2-CZ2 3.92Å; I142-W147 HydrophobicContact CG2-CZ3 4.24Å; I142-W147 PolarHBondContact O-N 3.33Å
143I80.6Confident78.4Confident18 Ų1878.2 Ų78.29%0.09235%0.35CS..Hα-helixtrans-58.6-49.2177.7-71.7172.8000110.5L78 I139 K145 W147 T150 L152L78-I143 HydrophobicContact CD1-CD1 4.1Å; L78-I143 HydrophobicContact CD1-CG1 4.33Å; I139-I143 HydrophobicContact CG2-CD1 3.41Å; I139-I143 VanDerWaalsContact CG2-CD1 3.41Å; I139-I143 HydrophobicContact CG2-CG1 3.97Å; I139-I143 WeakPolarHBondContact O-CB 3.29Å; I139-I143 VanDerWaalsContact O-CG1 3.24Å; I139-I143 WeakPolarHBondContact O-CG1 3.45Å; I139-I143 PolarHBondContact O-N 3.26Å; I143-K145 PolarHBondContact O-N 2.84Å; I143-W147 HydrophobicContact CG1-CE3 3.7Å; I143-W147 HydrophobicContact CG1-CZ3 4.26Å; I143-W147 CarbonylContact O-C 3.26Å; I143-W147 VanDerWaalsContact O-C 3.26Å; I143-W147 WeakPolarHBondContact O-CA 3.28Å; I143-W147 PolarHBondContact O-N 3.05Å; I143-T150 VanDerWaalsContact CG2-O 3.28Å; I143-T150 WeakPolarHBondContact CG2-O 3.39Å; I143-L152 HydrophobicContact CD1-CB 3.62Å; I143-L152 HydrophobicContact CD1-CD2 4.43Å; I143-L152 HydrophobicContact CD1-CG 4.46Å
144K75.7Confident79.9Confident165 Ų16573.9 Ų73.972%0.71733%0.332SS*.Hα-helixtrans-64.1-38.9-179.3-75.9174.9-178.9-176.10112.9N140 M141 I142N140-K144 VanDerWaalsContact O-CB 3.29Å; N140-K144 WeakPolarHBondContact O-CB 3.29Å; N140-K144 WeakPolarHBondContact O-CD 3.15Å; N140-K144 WeakPolarHBondContact O-CG 3.48Å; N140-K144 PolarHBondContact O-N 3.49Å; M141-K144 PolarHBondContact O-N 2.94Å; I142-K144 PolarHBondContact O-N 3.4Å
145K78.4Confident81.1Confident148 Ų14870.6 Ų70.664%0.64332%0.315SS*.Hα-helixtrans-82.9-45.7-175.6-72.8-178.6176.8176.70112.9M141 I142 I143M141-K145 HydrophobicContact CG-CD 3.87Å; M141-K145 HydrophobicContact CG-CG 4.43Å; M141-K145 WeakPolarHBondContact O-CB 3.2Å; M141-K145 WeakPolarHBondContact O-CG 3.28Å; M141-K145 PolarHBondContact O-N 3.41Å; M141-K145 PolarHBondContact SD-NZ 2.96Å; M141-K145 VanDerWaalsContact SD-NZ 3.44Å; I142-K145 PolarHBondContact O-N 3.05Å; I143-K145 PolarHBondContact O-N 2.84Å
146Q77.4Confident82.2Confident113 Ų11370.3 Ų70.353%0.52831%0.313SS..Hα-helixtrans-109.4-33.7-167.2-63.5-177.9-1700112.7I142I142-Q146 WeakPolarHBondContact O-CB 3.2Å; I142-Q146 PolarHBondContact O-N 2.81Å
147W83.9Confident83.3Confident2 Ų268.4 Ų68.41%0.00832%0.319CS..  trans-111.658.6-168.1-51.9-18.6000112.5F57 R61 R64 L78 I142 I143 R149 T150F57-W147 HydrophobicContact CE2-CH2 4.4Å; F57-W147 HydrophobicContact CZ-CH2 4.33Å; R61-W147 HydrophobicContact CB-CH2 4.11Å; R61-W147 HydrophobicContact CB-CZ2 4.22Å; R61-W147 HydrophobicContact CG-CH2 4.27Å; R61-W147 HydrophobicContact CG-CZ2 3.91Å; R64-W147 VanDerWaalsContact CZ-CG 3.45Å; R64-W147 VanDerWaalsContact CZ-NE1 3.34Å; R64-W147 VanDerWaalsContact NE-CD1 3.28Å; R64-W147 VanDerWaalsContact NE-CG 3.28Å; R64-W147 VanDerWaalsContact NH1-CD1 3.3Å; R64-W147 VanDerWaalsContact NH2-CD1 3.31Å; L78-W147 HydrophobicContact CD1-CE3 3.56Å; L78-W147 HydrophobicContact CD1-CH2 4.42Å; L78-W147 HydrophobicContact CD1-CZ3 3.29Å; I142-W147 HydrophobicContact CG2-CD2 4.03Å; I142-W147 HydrophobicContact CG2-CE3 4.25Å; I142-W147 HydrophobicContact CG2-CH2 4.12Å; I142-W147 HydrophobicContact CG2-CZ2 3.92Å; I142-W147 HydrophobicContact CG2-CZ3 4.24Å; I142-W147 PolarHBondContact O-N 3.33Å; I143-W147 HydrophobicContact CG1-CE3 3.7Å; I143-W147 HydrophobicContact CG1-CZ3 4.26Å; I143-W147 CarbonylContact O-C 3.26Å; I143-W147 VanDerWaalsContact O-C 3.26Å; I143-W147 WeakPolarHBondContact O-CA 3.28Å; I143-W147 PolarHBondContact O-N 3.05Å; W147-R149 PolarHBondContact O-N 3.43Å; W147-R149 VanDerWaalsContact O-N 3.08Å; W147-T150 HydrophobicContact CE3-CG2 4.33Å; W147-T150 PolarHBondContact O-N 2.89Å
148K67.5Low84.2Confident167 Ų16767.5 Ų67.573%0.72632%0.32SS*.THydrogen-bonded Turntrans-54.8115.6175.5-61-179.6-177.5178.40108.9
149R74.1Confident85.1Confident179 Ų17969.2 Ų69.268%0.67532%0.322SS*.THydrogen-bonded Turntrans93.60-175-53.5-178.3-68.8-104.111.2117.6D73 W147D73-R149 IonicContact OD1-CZ 3.41Å; D73-R149 IonicContact OD1-NH2 3.34Å; D73-R149 PolarHBondContact OD1-NH2 3.35Å; W147-R149 PolarHBondContact O-N 3.43Å; W147-R149 VanDerWaalsContact O-N 3.08Å
150T84.8Confident85.9Confident16 Ų1674.2 Ų74.210%0.09835%0.348CS..  trans-86.5132.4172.5-61.70000110.4L76 L78 I143 W147L76-T150 HydrophobicContact CD2-CG2 3.91Å; L78-T150 HydrophobicContact CB-CG2 4.36Å; L78-T150 HydrophobicContact CD1-CG2 3.4Å; L78-T150 VanDerWaalsContact CD1-CG2 3.4Å; L78-T150 HydrophobicContact CD2-CG2 4.4Å; L78-T150 HydrophobicContact CG-CG2 3.41Å; L78-T150 VanDerWaalsContact CG-CG2 3.41Å; I143-T150 VanDerWaalsContact CG2-O 3.28Å; I143-T150 WeakPolarHBondContact CG2-O 3.39Å; W147-T150 HydrophobicContact CE3-CG2 4.33Å; W147-T150 PolarHBondContact O-N 2.89Å
151I89.2Confident86.7Confident38 Ų3875.6 Ų75.620%0.19535%0.349CS..EExtended strand (participates in β ladder)trans-106138.5177.8-62.3176.2000108.4L77 L78 V153 E169 I173L77-I151 HydrophobicContact CD1-CB 3.88Å; L77-I151 HydrophobicContact CD1-CG2 3.98Å; L78-I151 PolarHBondContact N-O 2.93Å; I151-V153 HydrophobicContact CG2-CG2 4.17Å; I151-E169 HydrophobicContact CG2-CG 4.45Å; I151-I173 HydrophobicContact CB-CD1 4.48Å; I151-I173 HydrophobicContact CD1-CD1 3.9Å; I151-I173 HydrophobicContact CD1-CG1 3.74Å; I151-I173 HydrophobicContact CG1-CD1 4.43Å
152L92.6Very high87.4Confident36 Ų3675.9 Ų75.919%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-103.5127171-178.969.7000109.5F49 L78 A80 I139 I143F49-L152 HydrophobicContact CE1-CD1 3.8Å; F49-L152 HydrophobicContact CZ-CD1 4.18Å; L78-L152 HydrophobicContact CB-CD1 3.88Å; L78-L152 WeakPolarHBondContact O-CA 3.29Å; A80-L152 HydrophobicContact CB-CD1 4.09Å; I139-L152 HydrophobicContact CB-CD2 4.49Å; I139-L152 HydrophobicContact CG2-CD1 4.27Å; I139-L152 HydrophobicContact CG2-CD2 3.73Å; I139-L152 HydrophobicContact CG2-CG 4.5Å; I143-L152 HydrophobicContact CD1-CB 3.62Å; I143-L152 HydrophobicContact CD1-CD2 4.43Å; I143-L152 HydrophobicContact CD1-CG 4.46Å
153V93.3Very high88.1Confident14 Ų1476.3 Ų76.39%0.08535%0.352CS..EExtended strand (participates in β ladder)trans-117.2131.4170.8-177.20000109L77 L78 V79 A80 I151 N165 V166 E169L77-V153 HydrophobicContact CD1-CG2 3.8Å; L78-V153 PolarHBondContact O-N 2.87Å; V79-V153 CarbonylContact C-O 3.42Å; V79-V153 VanDerWaalsContact CA-O 3.3Å; V79-V153 WeakPolarHBondContact CA-O 3.31Å; A80-V153 PolarHBondContact N-O 3.47Å; I151-V153 HydrophobicContact CG2-CG2 4.17Å; V153-N165 HydrophobicContact CG1-CB 4.44Å; V153-V166 HydrophobicContact CB-CG2 4.14Å; V153-V166 HydrophobicContact CG1-CB 4.46Å; V153-V166 HydrophobicContact CG1-CG2 3.61Å; V153-E169 HydrophobicContact CG2-CB 4.06Å; V153-E169 HydrophobicContact CG2-CG 3.92Å
154E92.9Very high88.7Confident52 Ų5281.5 Ų81.524%0.24338%0.377CS..EExtended strand (participates in β ladder)trans-95.9125.8175.9-63.3-163.7140.500110.2A80 I83 R136 H162A80-E154 HydrophobicContact CB-CG 4.11Å; A80-E154 WeakPolarHBondContact O-CA 3.32Å; I83-E154 HydrophobicContact CD1-CB 4.45Å; I83-E154 HydrophobicContact CG2-CB 3.82Å; R136-E154 IonicContact CZ-OE1 2.93Å; R136-E154 IonicContact CZ-OE2 2.71Å; R136-E154 IonicContact NE-OE1 3.9Å; R136-E154 PolarHBondContact NE-OE1 2.82Å; R136-E154 IonicContact NE-OE2 3.36Å; R136-E154 PolarHBondContact NE-OE2 3.49Å; R136-E154 IonicContact NH2-OE1 2.88Å; R136-E154 PolarHBondContact NH2-OE1 2.93Å; R136-E154 IonicContact NH2-OE2 3.63Å; R136-E154 PolarHBondContact NH2-OE2 2.99Å; E154-H162 WeakPolarHBondContact O-CB 3.41Å; E154-H162 PolarHBondContact O-ND1 3.48Å
155C95.3Very high89.5Confident6 Ų677 Ų774%0.04136%0.361CS..  trans-138.7159.8-179.477.10000113.2V79 A80 N81 K82 I83 W161 H162 V166V79-C155 HydrophobicContact CG1-CB 4.42Å; V79-C155 WeakPolarHBondContact CG1-SG 3.22Å; A80-C155 PolarHBondContact O-N 3.34Å; N81-C155 CarbonylContact C-O 3.6Å; N81-C155 WeakPolarHBondContact CA-O 3.21Å; K82-C155 PolarHBondContact N-O 3.01Å; K82-C155 VanDerWaalsContact N-O 3.07Å; I83-C155 WeakPolarHBondContact CG1-O 2.94Å; I83-C155 WeakPolarHBondContact CG2-O 3.4Å; I83-C155 PolarHBondContact N-O 3Å; C155-W161 WeakPolarHBondContact CA-O 3.46Å; C155-W161 VanDerWaalsContact CB-O 3.31Å; C155-W161 WeakPolarHBondContact CB-O 3.49Å; C155-H162 HydrophobicContact CB-CB 4.3Å; C155-V166 HydrophobicContact CB-CG2 4.12Å
156S96.1Very high90.3Very high0 Ų070.5 Ų70.50%033%0.334CS..BIsolated β-bridgetrans-122.2108.2162176.10000108D84 K158 Y159 N160 W161D84-S156 VanDerWaalsContact OD1-CB 3.31Å; D84-S156 WeakPolarHBondContact OD1-CB 3.3Å; D84-S156 PolarHBondContact OD1-OG 3.5Å; S156-K158 PolarHBondContact O-N 2.92Å; S156-K158 PolarHBondContact OG-N 3.44Å; S156-Y159 PolarHBondContact O-N 2.99Å; S156-Y159 PolarHBondContact OG-N 3.09Å; S156-N160 CarbonylContact O-C 3.42Å; S156-N160 WeakPolarHBondContact O-CA 3.42Å; S156-N160 PolarHBondContact O-N 3.37Å; S156-W161 PolarHBondContact N-O 3.29Å; S156-W161 PolarHBondContact O-N 3.43Å
157A96.1Very high91.1Very high63 Ų6367.4 Ų67.452%0.52132%0.319SS..THydrogen-bonded Turntrans-61.9-34.7173.300000111.7N81 Y159 N160N81-A157 PolarHBondContact OD1-N 3.34Å; N81-A157 VanDerWaalsContact OD1-N 3.09Å; A157-Y159 VanDerWaalsContact C-N 3.33Å; A157-Y159 PolarHBondContact O-N 2.94Å; A157-N160 PolarHBondContact O-N 3.5Å
158K95.9Very high91.5Very high143 Ų14374.5 Ų74.562%0.62235%0.346SS*.THydrogen-bonded Turntrans-59.5-41.5-179.6-178.5178.7176.9-169.10112.6S156S156-K158 PolarHBondContact O-N 2.92Å; S156-K158 PolarHBondContact OG-N 3.44Å
159Y95.7Very high92.7Very high106 Ų10668.8 Ų68.842%0.41632%0.322SS..THydrogen-bonded Turntrans-105.69.1-178.5-62.6-78.8000113.2D84 S156 A157 W161D84-Y159 HydrophobicContact CB-CD2 3.55Å; D84-Y159 HydrophobicContact CB-CE2 3.47Å; D84-Y159 VanDerWaalsContact CB-CE2 3.47Å; S156-Y159 PolarHBondContact O-N 2.99Å; S156-Y159 PolarHBondContact OG-N 3.09Å; A157-Y159 VanDerWaalsContact C-N 3.33Å; A157-Y159 PolarHBondContact O-N 2.94Å; Y159-W161 HydrophobicContact CG-CZ2 4.18Å; Y159-W161 PolarHBondContact O-N 3.31Å
160N95.3Very high93.6Very high108 Ų10860.6 Ų60.658%0.57829%0.291SS*.THydrogen-bonded Turntrans52.931.6-174.2-165.224.7000113.6S156 A157 V163S156-N160 CarbonylContact O-C 3.42Å; S156-N160 WeakPolarHBondContact O-CA 3.42Å; S156-N160 PolarHBondContact O-N 3.37Å; A157-N160 PolarHBondContact O-N 3.5Å; N160-V163 WeakPolarHBondContact OD1-CB 3.29Å; N160-V163 WeakPolarHBondContact OD1-CG2 3.42Å
161W94.9Very high93.9Very high102 Ų10259.9 Ų59.939%0.38629%0.287SS..BIsolated β-bridgetrans-82.5125.8178.6-64.6-12.6000110.5I83 D84 C155 S156 Y159 V163I83-W161 HydrophobicContact CG1-CE3 4.41Å; D84-W161 HydrophobicContact CB-CZ3 4.23Å; C155-W161 WeakPolarHBondContact CA-O 3.46Å; C155-W161 VanDerWaalsContact CB-O 3.31Å; C155-W161 WeakPolarHBondContact CB-O 3.49Å; S156-W161 PolarHBondContact N-O 3.29Å; S156-W161 PolarHBondContact O-N 3.43Å; Y159-W161 HydrophobicContact CG-CZ2 4.18Å; Y159-W161 PolarHBondContact O-N 3.31Å; W161-V163 PolarHBondContact O-N 2.95Å
162H95.4Very high94Very high93 Ų9362.7 Ų62.743%0.43130%0.295SS..SBendtrans57.89.4178.6-47.6134.7000115.9E154 C155 M164 N165 V166E154-H162 WeakPolarHBondContact O-CB 3.41Å; E154-H162 PolarHBondContact O-ND1 3.48Å; C155-H162 HydrophobicContact CB-CB 4.3Å; H162-M164 PolarHBondContact O-N 3.47Å; H162-N165 HydrophobicContact CB-CB 4.17Å; H162-N165 WeakPolarHBondContact O-CA 3.35Å; H162-N165 WeakPolarHBondContact O-CB 3.46Å; H162-N165 PolarHBondContact O-N 3.26Å; H162-V166 PolarHBondContact O-N 3.05Å; H162-V166 VanDerWaalsContact O-N 3.08Å
163V95.2Very high93.8Very high33 Ų3361.7 Ų61.720%0.229%0.29CS..Hα-helixtrans-58.4-41.6176176.50000110.3N160 W161 N165 V166 F167N160-V163 WeakPolarHBondContact OD1-CB 3.29Å; N160-V163 WeakPolarHBondContact OD1-CG2 3.42Å; W161-V163 PolarHBondContact O-N 2.95Å; V163-N165 VanDerWaalsContact C-N 3.25Å; V163-N165 PolarHBondContact O-N 2.85Å; V163-V166 VanDerWaalsContact O-CB 3.32Å; V163-V166 WeakPolarHBondContact O-CB 3.46Å; V163-V166 PolarHBondContact O-N 3.45Å; V163-V166 VanDerWaalsContact O-N 3.16Å; V163-F167 HydrophobicContact CG1-CD2 4.37Å; V163-F167 HydrophobicContact CG1-CE2 3.87Å; V163-F167 VanDerWaalsContact O-CD2 3.28Å; V163-F167 WeakPolarHBondContact O-CD2 3.13Å; V163-F167 PolarHBondContact O-N 3.21Å
164M92.5Very high93.6Very high127 Ų12763 Ų6363%0.62630%0.296SS*.Hα-helixtrans-63.7-30.2173.6-64.3-52.7-61.500113.2H162 V166 F167 R168H162-M164 PolarHBondContact O-N 3.47Å; M164-V166 VanDerWaalsContact C-N 3.34Å; M164-F167 PolarHBondContact O-N 3.17Å; M164-R168 WeakPolarHBondContact O-CB 3.34Å; M164-R168 PolarHBondContact O-N 3.02Å
165N94.2Very high93.2Very high71 Ų7161.3 Ų61.338%0.3829%0.288SS..Hα-helixtrans-71.1-32.3176.7-63.53.8000111.2V153 H162 V163 R168 E169V153-N165 HydrophobicContact CG1-CB 4.44Å; H162-N165 HydrophobicContact CB-CB 4.17Å; H162-N165 WeakPolarHBondContact O-CA 3.35Å; H162-N165 WeakPolarHBondContact O-CB 3.46Å; H162-N165 PolarHBondContact O-N 3.26Å; V163-N165 VanDerWaalsContact C-N 3.25Å; V163-N165 PolarHBondContact O-N 2.85Å; N165-R168 PolarHBondContact O-N 3.46Å; N165-E169 PolarHBondContact O-N 3.08Å
166V95Very high92.7Very high11 Ų1164.6 Ų64.67%0.06731%0.305CS..Hα-helixtrans-57.5-52.2172.3176.90000109.9I46 L77 V79 V153 C155 H162 V163 M164 R168 E169 L170I46-V166 HydrophobicContact CG2-CG1 4.43Å; L77-V166 HydrophobicContact CD2-CG1 3.71Å; L77-V166 VanDerWaalsContact CD2-O 3.22Å; L77-V166 WeakPolarHBondContact CD2-O 3.43Å; V79-V166 HydrophobicContact CG1-CG2 4.06Å; V79-V166 HydrophobicContact CG2-CG1 3.65Å; V79-V166 HydrophobicContact CG2-CG2 4.12Å; V153-V166 HydrophobicContact CB-CG2 4.14Å; V153-V166 HydrophobicContact CG1-CB 4.46Å; V153-V166 HydrophobicContact CG1-CG2 3.61Å; C155-V166 HydrophobicContact CB-CG2 4.12Å; H162-V166 PolarHBondContact O-N 3.05Å; H162-V166 VanDerWaalsContact O-N 3.08Å; V163-V166 VanDerWaalsContact O-CB 3.32Å; V163-V166 WeakPolarHBondContact O-CB 3.46Å; V163-V166 PolarHBondContact O-N 3.45Å; V163-V166 VanDerWaalsContact O-N 3.16Å; M164-V166 VanDerWaalsContact C-N 3.34Å; V166-R168 PolarHBondContact O-N 3.17Å; V166-E169 PolarHBondContact O-N 2.92Å; V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 PolarHBondContact O-N 3.26Å
167F93.4Very high91.9Very high48 Ų4867.3 Ų67.321%0.21132%0.315CS..Hα-helixtrans-66.3-39.2179.4-66.1-69.3000112.3I2 L13 V163 M164 E169 L170 M171I2-F167 HydrophobicContact CD1-CB 4.45Å; I2-F167 HydrophobicContact CD1-CD1 4.21Å; L13-F167 HydrophobicContact CD1-CE1 3.67Å; L13-F167 HydrophobicContact CD1-CZ 3.99Å; L13-F167 HydrophobicContact CD2-CE1 4.08Å; V163-F167 HydrophobicContact CG1-CD2 4.37Å; V163-F167 HydrophobicContact CG1-CE2 3.87Å; V163-F167 VanDerWaalsContact O-CD2 3.28Å; V163-F167 WeakPolarHBondContact O-CD2 3.13Å; V163-F167 PolarHBondContact O-N 3.21Å; M164-F167 PolarHBondContact O-N 3.17Å; F167-E169 PolarHBondContact O-N 2.9Å; F167-L170 WeakPolarHBondContact O-CB 3.44Å; F167-L170 PolarHBondContact O-N 3.11Å; F167-M171 VanDerWaalsContact O-CG 3.3Å; F167-M171 WeakPolarHBondContact O-CG 3.45Å; F167-M171 PolarHBondContact O-N 3.22Å
168R92.4Very high90.8Very high151 Ų15169.3 Ų69.357%0.5731%0.314SS*.Hα-helixtrans-59.3-47.6176.2-170.9-175.1-67.2-104.7-1112F4 M164 N165 V166 M171 R172F4-R168 HydrophobicContact CD2-CG 4.33Å; F4-R168 HydrophobicContact CE2-CG 3.73Å; M164-R168 WeakPolarHBondContact O-CB 3.34Å; M164-R168 PolarHBondContact O-N 3.02Å; N165-R168 PolarHBondContact O-N 3.46Å; V166-R168 PolarHBondContact O-N 3.17Å; R168-M171 PolarHBondContact O-N 2.95Å; R168-R172 PolarHBondContact O-N 2.94Å
169E93.2Very high89.4Confident48 Ų4868 Ų6822%0.22431%0.31CS..Hα-helixtrans-66.1-38.3177.4-74.8-54.1121.900111.8L77 I151 V153 N165 V166 F167 M171 R172 I173L77-E169 HydrophobicContact CD1-CB 4.21Å; I151-E169 HydrophobicContact CG2-CG 4.45Å; V153-E169 HydrophobicContact CG2-CB 4.06Å; V153-E169 HydrophobicContact CG2-CG 3.92Å; N165-E169 PolarHBondContact O-N 3.08Å; V166-E169 PolarHBondContact O-N 2.92Å; F167-E169 PolarHBondContact O-N 2.9Å; E169-M171 PolarHBondContact O-N 2.84Å; E169-R172 PolarHBondContact O-N 3.01Å; E169-R172 IonicContact OE1-NE 3.06Å; E169-R172 IonicContact OE2-CZ 3.34Å; E169-R172 IonicContact OE2-NE 3.47Å; E169-R172 PolarHBondContact OE2-NE 3.28Å; E169-R172 IonicContact OE2-NH2 2.69Å; E169-R172 PolarHBondContact OE2-NH2 3.46Å; E169-I173 VanDerWaalsContact O-CG1 3.25Å; E169-I173 WeakPolarHBondContact O-CG1 3.27Å; E169-I173 PolarHBondContact O-N 2.93Å
170L92.6Very high87.8Confident6 Ų666.9 Ų66.93%0.03132%0.322CS..Hα-helixtrans-57.7-48.7173.5-179.865.6000111.6A44 I46 L77 V166 F167 R172 I173 L174A44-L170 HydrophobicContact CB-CD1 3.77Å; I46-L170 HydrophobicContact CD1-CD2 3.89Å; I46-L170 HydrophobicContact CG1-CD1 4.44Å; I46-L170 HydrophobicContact CG1-CD2 4.24Å; L77-L170 HydrophobicContact CD2-CB 3.97Å; V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 PolarHBondContact O-N 3.26Å; F167-L170 WeakPolarHBondContact O-CB 3.44Å; F167-L170 PolarHBondContact O-N 3.11Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.49Å; L170-I173 PolarHBondContact O-N 3.43Å; L170-L174 HydrophobicContact CD1-CD1 4.49Å; L170-L174 HydrophobicContact CG-CD1 4.17Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.02Å
171M91.1Very high85.9Confident1 Ų166 Ų661%0.00532%0.315CS..Hα-helixtrans-62.4-40.2178.9-65.8-44.2-54.800111.7I2 F4 Y9 V11 F167 R168 E169 I173 L174 E175I2-M171 HydrophobicContact CD1-SD 4.5Å; I2-M171 HydrophobicContact CG2-CG 4.04Å; F4-M171 HydrophobicContact CB-CB 4.01Å; F4-M171 HydrophobicContact CB-CG 4.17Å; F4-M171 HydrophobicContact CD1-CB 3.64Å; F4-M171 HydrophobicContact CD2-CB 3.95Å; F4-M171 HydrophobicContact CE1-CB 4.03Å; F4-M171 HydrophobicContact CE2-CB 4.34Å; F4-M171 HydrophobicContact CG-CB 3.59Å; F4-M171 HydrophobicContact CG-CG 4.26Å; F4-M171 HydrophobicContact CZ-CB 4.38Å; Y9-M171 HydrophobicContact CD1-CE 3.34Å; Y9-M171 HydrophobicContact CD2-CE 3.25Å; Y9-M171 HydrophobicContact CE1-CE 3.68Å; Y9-M171 HydrophobicContact CE2-CE 3.58Å; Y9-M171 HydrophobicContact CG-CE 3.09Å; V11-M171 HydrophobicContact CG2-SD 4.04Å; F167-M171 VanDerWaalsContact O-CG 3.3Å; F167-M171 WeakPolarHBondContact O-CG 3.45Å; F167-M171 PolarHBondContact O-N 3.22Å; R168-M171 PolarHBondContact O-N 2.95Å; E169-M171 PolarHBondContact O-N 2.84Å; M171-I173 PolarHBondContact O-N 2.88Å; M171-L174 HydrophobicContact CE-CD1 4.35Å; M171-L174 PolarHBondContact O-N 3.34Å; M171-L174 HydrophobicContact SD-CD1 4.19Å; M171-E175 WeakPolarHBondContact O-CB 3.25Å; M171-E175 PolarHBondContact O-N 3.46Å
172R90.9Very high83.6Confident97 Ų9770 Ų7037%0.36634%0.335SS..Hα-helixtrans-61.1-42175-165.7-179.372.582.9-2.1112.3F4 R168 E169 L170 N176F4-R172 HydrophobicContact CE1-CB 4.42Å; F4-R172 HydrophobicContact CZ-CB 3.94Å; F4-R172 HydrophobicContact CZ-CG 4.45Å; R168-R172 PolarHBondContact O-N 2.94Å; E169-R172 PolarHBondContact O-N 3.01Å; E169-R172 IonicContact OE1-NE 3.06Å; E169-R172 IonicContact OE2-CZ 3.34Å; E169-R172 IonicContact OE2-NE 3.47Å; E169-R172 PolarHBondContact OE2-NE 3.28Å; E169-R172 IonicContact OE2-NH2 2.69Å; E169-R172 PolarHBondContact OE2-NH2 3.46Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.49Å; R172-N176 WeakPolarHBondContact O-CB 3.47Å; R172-N176 PolarHBondContact O-N 3.1Å; R172-N176 PolarHBondContact O-ND2 3.07Å; R172-N176 VanDerWaalsContact O-ND2 3.1Å
173I89.1Confident81.5Confident16 Ų1669.2 Ų69.28%0.08234%0.338CS..Hα-helixtrans-64.2-43.3176.4-62.7161.6000110.6P75 L77 I151 E169 L170 M171 N176 R177P75-I173 HydrophobicContact CB-CG2 3.72Å; P75-I173 HydrophobicContact CG-CG2 4.42Å; L77-I173 HydrophobicContact CB-CD1 4.28Å; L77-I173 HydrophobicContact CD1-CD1 4.06Å; I151-I173 HydrophobicContact CB-CD1 4.48Å; I151-I173 HydrophobicContact CD1-CD1 3.9Å; I151-I173 HydrophobicContact CD1-CG1 3.74Å; I151-I173 HydrophobicContact CG1-CD1 4.43Å; E169-I173 VanDerWaalsContact O-CG1 3.25Å; E169-I173 WeakPolarHBondContact O-CG1 3.27Å; E169-I173 PolarHBondContact O-N 2.93Å; L170-I173 PolarHBondContact O-N 3.43Å; M171-I173 PolarHBondContact O-N 2.88Å; I173-N176 PolarHBondContact O-N 3.04Å; I173-R177 PolarHBondContact O-N 2.9Å; I173-R177 VanDerWaalsContact O-N 3.11Å
174L88.2Confident79.8Confident41 Ų4172.8 Ų72.822%0.21536%0.36CS..Hα-helixtrans-63.7-45.2179.4-75.1170.2000111.9A44 P75 L170 M171 R177 E178A44-L174 HydrophobicContact CB-CD2 4.13Å; P75-L174 HydrophobicContact CB-CD2 4.44Å; P75-L174 HydrophobicContact CG-CD2 3.91Å; L170-L174 HydrophobicContact CD1-CD1 4.49Å; L170-L174 HydrophobicContact CG-CD1 4.17Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.02Å; M171-L174 HydrophobicContact CE-CD1 4.35Å; M171-L174 PolarHBondContact O-N 3.34Å; M171-L174 HydrophobicContact SD-CD1 4.19Å; L174-R177 WeakPolarHBondContact O-CB 3.41Å; L174-R177 PolarHBondContact O-N 2.97Å; L174-E178 PolarHBondContact O-N 3.43Å
175E85Confident78.2Confident17 Ų1770.4 Ų70.48%0.07936%0.36CS..Hα-helixtrans-63.9-43177.9-176.2172.4-144.400111.7F4 N5 M171 R177 E178 Q179F4-E175 VanDerWaalsContact CE1-OE2 3.27Å; F4-E175 WeakPolarHBondContact CE1-OE2 3.41Å; N5-E175 PolarHBondContact ND2-OE2 2.93Å; M171-E175 WeakPolarHBondContact O-CB 3.25Å; M171-E175 PolarHBondContact O-N 3.46Å; E175-R177 PolarHBondContact O-N 3.47Å; E175-E178 PolarHBondContact O-N 3.48Å; E175-E178 VanDerWaalsContact O-N 3.17Å; E175-Q179 WeakPolarHBondContact O-CG 3.34Å; E175-Q179 PolarHBondContact O-N 2.99Å
176N83.6Confident76.5Confident75 Ų7570 Ų7040%0.40137%0.367SS..Hα-helixtrans-59.9-35.5175.3-70.6-24.6000112.1R172 I173 A180R172-N176 WeakPolarHBondContact O-CB 3.47Å; R172-N176 PolarHBondContact O-N 3.1Å; R172-N176 PolarHBondContact O-ND2 3.07Å; R172-N176 VanDerWaalsContact O-ND2 3.1Å; I173-N176 PolarHBondContact O-N 3.04Å; N176-A180 WeakPolarHBondContact O-CB 3.46Å; N176-A180 PolarHBondContact O-N 3.06Å
177R79.4Confident74.8Confident56 Ų5675 Ų7521%0.21139%0.385CS..Hα-helixtrans-69.7-41.7175.4-85.9-126160.281.3-11.2112.5D73 I74 P75 I173 L174 E175 Q179 A180 H181D73-R177 VanDerWaalsContact C-CZ 3.41Å; D73-R177 PolarHBondContact O-NE 3.48Å; D73-R177 PolarHBondContact O-NH2 2.92Å; I74-R177 PolarHBondContact O-NH1 3.2Å; I74-R177 VanDerWaalsContact O-NH1 3.17Å; I74-R177 PolarHBondContact O-NH2 3.06Å; P75-R177 HydrophobicContact CG-CG 4.28Å; I173-R177 PolarHBondContact O-N 2.9Å; I173-R177 VanDerWaalsContact O-N 3.11Å; L174-R177 WeakPolarHBondContact O-CB 3.41Å; L174-R177 PolarHBondContact O-N 2.97Å; E175-R177 PolarHBondContact O-N 3.47Å; R177-Q179 VanDerWaalsContact C-N 3.33Å; R177-A180 PolarHBondContact O-N 3.39Å; R177-H181 PolarHBondContact O-N 3.4Å
178E74.1Confident73.3Confident105 Ų10575 Ų7549%0.49139%0.393SS..Hα-helixtrans-63.4-41.2176.5-166.5-176.7-179.700111.2R7 L174 E175 H181R7-E178 IonicContact NH1-OE1 3.88Å; R7-E178 IonicContact NH1-OE2 3.29Å; R7-E178 PolarHBondContact NH1-OE2 2.88Å; L174-E178 PolarHBondContact O-N 3.43Å; E175-E178 PolarHBondContact O-N 3.48Å; E175-E178 VanDerWaalsContact O-N 3.17Å; E178-H181 CarbonylContact O-C 3.19Å; E178-H181 PolarHBondContact O-N 3.04Å
179Q66.4Low71.9Confident117 Ų11771.7 Ų71.755%0.54739%0.39SS..Hα-helixtrans-68.1-37.4177-67.9-179.71900112.8E175 R177 H181E175-Q179 WeakPolarHBondContact O-CG 3.34Å; E175-Q179 PolarHBondContact O-N 2.99Å; R177-Q179 VanDerWaalsContact C-N 3.33Å; Q179-H181 VanDerWaalsContact C-N 3.3Å
180A62.1Low70.6Confident81 Ų8175.2 Ų75.267%0.66941%0.406SS*.Hα-helixtrans-69.7-28.5176.500000112.8N176 R177N176-A180 WeakPolarHBondContact O-CB 3.46Å; N176-A180 PolarHBondContact O-N 3.06Å; R177-A180 PolarHBondContact O-N 3.39Å
181H55.8Low69.2Low91 Ų9179.1 Ų79.142%0.42143%0.427SS..THydrogen-bonded Turntrans-112.270.1175.3-79-44.4000110.6R177 E178 Q179 P183 R187R177-H181 PolarHBondContact O-N 3.4Å; E178-H181 CarbonylContact O-C 3.19Å; E178-H181 PolarHBondContact O-N 3.04Å; Q179-H181 VanDerWaalsContact C-N 3.3Å; H181-P183 WeakPolarHBondContact O-CD 3.37Å; H181-R187 PolarHBondContact CD2-NH1 3.06Å; H181-R187 PolarHBondContact CE1-NH1 3.42Å; H181-R187 PolarHBondContact ND1-NH1 3.16Å; H181-R187 PolarHBondContact NE2-NH1 3.29Å; H181-R187 VanDerWaalsContact NE2-NH1 3.12Å
182K46.6Very low67.7Low184 Ų18481.4 Ų81.480%0.845%0.446SS*.  trans-51.4111.5152.4-74.4-176.7179.2178.70106.3T184K182-T184 PolarHBondContact O-N 3.39Å
183P51.4Low66.3Low77 Ų7782.2 Ų82.250%0.546%0.457SS..  trans-65.4116.8-173.624.4-30000106.9H181 A185 R187 A188H181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-A185 PolarHBondContact O-N 2.97Å; P183-R187 HydrophobicContact CB-CB 4.25Å; P183-A188 HydrophobicContact CB-CB 4.15Å; P183-A188 HydrophobicContact CG-CB 4.38Å
184T58.6Low65Low108 Ų10887.7 Ų87.766%0.66348%0.477SS*.  trans-48.9141.7158.2-49.90000106.8K182 A186 R187 A188K182-T184 PolarHBondContact O-N 3.39Å; T184-A186 CarbonylContact O-C 3.57Å; T184-A186 PolarHBondContact O-N 3.17Å; T184-R187 PolarHBondContact O-N 3.18Å; T184-A188 PolarHBondContact O-N 2.75Å
185A58.4Low63.6Low77 Ų7792.3 Ų92.364%0.63650%0.502SS*.Hα-helixtrans-44.2-36.5-177.400000112.9P183 R187 A188 V189P183-A185 PolarHBondContact O-N 2.97Å; A185-R187 PolarHBondContact O-N 3.28Å; A185-A188 PolarHBondContact O-N 2.97Å; A185-V189 VanDerWaalsContact O-CG2 3.24Å; A185-V189 WeakPolarHBondContact O-CG2 3.34Å; A185-V189 PolarHBondContact O-N 3.06Å
186A59.3Low62.2Low62 Ų6297.9 Ų97.951%0.51253%0.532SS..Hα-helixtrans-56.6-42.9173.600000114.8T184 V189 Q190T184-A186 CarbonylContact O-C 3.57Å; T184-A186 PolarHBondContact O-N 3.17Å; A186-V189 PolarHBondContact O-N 3.24Å; A186-Q190 WeakPolarHBondContact O-CG 3.29Å; A186-Q190 PolarHBondContact O-N 2.96Å
187R59.3Low60.6Low118 Ų118101.7 Ų101.745%0.44555%0.547SS..Hα-helixtrans-77.1-31.8-178.7-141.1171.7-172.3-176-0.3111.9H181 P183 T184 A185 Q190 N191H181-R187 PolarHBondContact CD2-NH1 3.06Å; H181-R187 PolarHBondContact CE1-NH1 3.42Å; H181-R187 PolarHBondContact ND1-NH1 3.16Å; H181-R187 PolarHBondContact NE2-NH1 3.29Å; H181-R187 VanDerWaalsContact NE2-NH1 3.12Å; P183-R187 HydrophobicContact CB-CB 4.25Å; T184-R187 PolarHBondContact O-N 3.18Å; A185-R187 PolarHBondContact O-N 3.28Å; R187-Q190 PolarHBondContact O-N 3.34Å; R187-N191 PolarHBondContact O-N 3.49Å
188A62.8Low58.9Low46 Ų46104.8 Ų104.838%0.3858%0.576SS.*Hα-helixtrans-63.1-43.8169.700000110.9P183 T184 A185 N191 A192P183-A188 HydrophobicContact CB-CB 4.15Å; P183-A188 HydrophobicContact CG-CB 4.38Å; T184-A188 PolarHBondContact O-N 2.75Å; A185-A188 PolarHBondContact O-N 2.97Å; A188-N191 PolarHBondContact O-N 3.42Å; A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.12Å
189V62.8Low57.7Low83 Ų83104.8 Ų104.850%0.50359%0.588SS.*Hα-helixtrans-63-43.6175.2171.80000111.4A185 A186 N191 A192 L193A185-V189 VanDerWaalsContact O-CG2 3.24Å; A185-V189 WeakPolarHBondContact O-CG2 3.34Å; A185-V189 PolarHBondContact O-N 3.06Å; A186-V189 PolarHBondContact O-N 3.24Å; V189-N191 PolarHBondContact O-N 3.44Å; V189-A192 PolarHBondContact O-N 3.45Å; V189-L193 HydrophobicContact CG1-CD1 3.78Å; V189-L193 HydrophobicContact CG1-CG 4.34Å; V189-L193 WeakPolarHBondContact O-CB 3.41Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 3.43Å
190Q65.9Low56.3Low122 Ų122106.9 Ų106.957%0.5760%0.601SS**Hα-helixtrans-62.5-42.8177-75.6174.8-15.300112.8A186 R187 L193 R194A186-Q190 WeakPolarHBondContact O-CG 3.29Å; A186-Q190 PolarHBondContact O-N 2.96Å; R187-Q190 PolarHBondContact O-N 3.34Å; Q190-L193 PolarHBondContact O-N 2.96Å; Q190-R194 WeakPolarHBondContact O-CB 3.14Å; Q190-R194 PolarHBondContact O-N 3.3Å
191N61.5Low55.1Low87 Ų87112.7 Ų112.747%0.46562%0.617SS.*Hα-helixtrans-68.7-37.6177-75.7-8.7000112.1R187 A188 V189 R194 N195R187-N191 PolarHBondContact O-N 3.49Å; A188-N191 PolarHBondContact O-N 3.42Å; V189-N191 PolarHBondContact O-N 3.44Å; N191-R194 PolarHBondContact O-N 3.36Å; N191-N195 PolarHBondContact O-N 3.02Å
192A61Low55.1Low50 Ų50113.8 Ų113.841%0.41363%0.627SS.*Hα-helixtrans-64.6-43.5174.300000112A188 V189 R194 N195 N196A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.12Å; V189-A192 PolarHBondContact O-N 3.45Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 2.94Å; A192-N195 PolarHBondContact O-N 3.42Å; A192-N196 WeakPolarHBondContact O-CB 3.24Å; A192-N196 PolarHBondContact O-N 2.75Å; A192-N196 VanDerWaalsContact O-N 3.16Å
193L60.7Low55.6Low114 Ų114110.1 Ų110.160%0.59762%0.618SS**Hα-helixtrans-64.2-38.1175.7-73.4168.6000111.7V189 Q190 N196 Q197V189-L193 HydrophobicContact CG1-CD1 3.78Å; V189-L193 HydrophobicContact CG1-CG 4.34Å; V189-L193 WeakPolarHBondContact O-CB 3.41Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 3.43Å; Q190-L193 PolarHBondContact O-N 2.96Å; L193-N196 PolarHBondContact O-N 2.93Å; L193-Q197 PolarHBondContact O-N 3.36Å
194R61.1Low55.8Low131 Ų131111.9 Ų111.949%0.49462%0.624SS.*Hα-helixtrans-70.3-35.5178.3-172.4175.2165.5-167.5-2.3113N41 Q190 N191 A192 N196N41-R194 VanDerWaalsContact CG-NH2 3.28Å; N41-R194 PolarHBondContact ND2-NH2 3.49Å; Q190-R194 WeakPolarHBondContact O-CB 3.14Å; Q190-R194 PolarHBondContact O-N 3.3Å; N191-R194 PolarHBondContact O-N 3.36Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 2.94Å; R194-N196 VanDerWaalsContact C-N 3.31Å
195N60.7Low55.6Low138 Ų138112.2 Ų112.274%0.73862%0.622SS**Hα-helixtrans-74.7-21.2176.1-73.2-6.2000113N191 A192N191-N195 PolarHBondContact O-N 3.02Å; A192-N195 PolarHBondContact O-N 3.42Å
196N54.4Low55.4Low133 Ų133114.4 Ų114.471%0.71162%0.621SS**THydrogen-bonded Turntrans-95.67.1179-70.8-10000114A192 L193 R194 C198A192-N196 WeakPolarHBondContact O-CB 3.24Å; A192-N196 PolarHBondContact O-N 2.75Å; A192-N196 VanDerWaalsContact O-N 3.16Å; L193-N196 PolarHBondContact O-N 2.93Å; R194-N196 VanDerWaalsContact C-N 3.31Å; N196-C198 VanDerWaalsContact C-N 3.32Å; N196-C198 PolarHBondContact O-N 2.88Å
197Q51.1Low55.2Low156 Ų156117.9 Ų117.973%0.72963%0.628SS**  trans-79.386.1168.2-75.7-178.2-14.600109.3L193 S199L193-Q197 PolarHBondContact O-N 3.36Å; Q197-S199 PolarHBondContact O-N 3.43Å; Q197-S199 VanDerWaalsContact O-N 3.09Å
198C43.5Very low54.9Low120 Ų120117.9 Ų117.981%0.81164%0.641SS**  trans-55.4109.5157.3-84.30000108.5N196 I200N196-C198 VanDerWaalsContact C-N 3.32Å; N196-C198 PolarHBondContact O-N 2.88Å; C198-I200 PolarHBondContact O-N 3.02Å
199S47.4Very low54.3Low106 Ų106123.4 Ų123.474%0.74166%0.661SS**  trans-81.5106160.9-1800000107.4Q197Q197-S199 PolarHBondContact O-N 3.43Å; Q197-S199 VanDerWaalsContact O-N 3.09Å
200I38.2Very low53.6Low160 Ų160126.8 Ų126.882%0.82168%0.675SS**  trans-78118.8159.4-66.8170.5000105.9C198C198-I200 PolarHBondContact O-N 3.02Å
201M37.5Very low52.5Low204 Ų204127.2 Ų127.2100%1.00568%0.684SS**  trans-94.90156.7-81-172.467.200108.5

Retrieved 201 of 201 residues in 268.9 ms (Link to these results)

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