A0A077ZCG6_TRITR Loading...

Sulfotransfer 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 303 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
1M36.2Very low46Very low242 Ų242124.1 Ų124.1100%1.19271%0.706SS**  097.10-72.4-176-84.200107.6G3M1-G3 PolarHBondContact O-N 3.14Å; M1-G3 VanDerWaalsContact O-N 3.14Å
2I39.7Very low46.6Very low175 Ų175125.2 Ų125.290%0.89770%0.701SS**  trans-69.1112.4174-62.4172.5000105.4Q4I2-Q4 PolarHBondContact O-N 3.21Å
3G39.1Very low47.3Very low63 Ų63126.2 Ų126.265%0.64969%0.687SS**  trans-52.7126.9-175.300000109.9M1 G5M1-G3 PolarHBondContact O-N 3.14Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 2.84Å
4Q45.5Very low48Very low187 Ų187124.2 Ų124.287%0.87468%0.676SS**  trans-58.6102163.8-69.5-178.61.800105.7I2 R6I2-Q4 PolarHBondContact O-N 3.21Å; Q4-R6 PolarHBondContact O-N 3.2Å
5G44.6Very low49.8Very low48 Ų48118.9 Ų118.950%0.49565%0.652SS.*  trans-52.5129.2179.600000108.1G3 N7 A8G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 2.84Å; G5-N7 PolarHBondContact O-N 3.25Å; G5-A8 WeakPolarHBondContact O-CB 3.4Å; G5-A8 PolarHBondContact O-N 2.87Å
6R49.4Very low52Low251 Ų251123.5 Ų123.595%0.94766%0.656SS**THydrogen-bonded Turntrans-52.9-10.9-178.1-82.9179.3170.3174.3-4.2114.3Q4Q4-R6 PolarHBondContact O-N 3.2Å
7N51.5Low54.1Low74 Ų74120.6 Ų120.640%0.39664%0.641SS.*THydrogen-bonded Turntrans-116.116.2179.2-58.6-15.8000113.7G5 Y295G5-N7 PolarHBondContact O-N 3.25Å; N7-Y295 WeakPolarHBondContact CB-O 2.99Å; N7-Y295 PolarHBondContact ND2-O 2.75Å
8A50.8Low56.3Low53 Ų53114.2 Ų114.244%0.43861%0.607SS.*SBendtrans-65.6133.5173.200000109.2G5 T10G5-A8 WeakPolarHBondContact O-CB 3.4Å; G5-A8 PolarHBondContact O-N 2.87Å; A8-T10 PolarHBondContact O-N 2.79Å
9P50.6Low58.4Low61 Ų61108.8 Ų108.840%0.39658%0.579SS.*  trans-57.6112175.719.1-27.3000109.7Y293 Y295P9-Y293 HydrophobicContact CG-CE2 4.49Å; P9-Y295 HydrophobicContact CB-CE2 4.02Å; P9-Y295 HydrophobicContact CG-CE2 3.86Å
10T48.8Very low60.4Low121 Ų121103.4 Ų103.474%0.74255%0.55SS**  trans-94-8.7175.654.40000112.7A8 E12A8-T10 PolarHBondContact O-N 2.79Å; T10-E12 PolarHBondContact O-N 3.42Å
11A49.6Very low62.2Low90 Ų9098.5 Ų98.574%0.74452%0.524SS*.  trans-64.484.1169.400000107.6W13A11-W13 PolarHBondContact O-N 2.97Å; A11-W13 VanDerWaalsContact O-N 3.15Å
12E53.6Low65.2Low137 Ų13787 Ų8764%0.6447%0.468SS*.  trans-46.8125.3156.7-69-170.3158.300104.9T10 N14 R288T10-E12 PolarHBondContact O-N 3.42Å; E12-N14 PolarHBondContact O-N 3.44Å; E12-R288 IonicContact OE1-CZ 3.74Å; E12-R288 IonicContact OE1-NH2 2.68Å; E12-R288 PolarHBondContact OE1-NH2 3.31Å
13W56.3Low68Low138 Ų13878.7 Ų78.752%0.52343%0.425SS..  trans-30.8117.3171.5-178.8-54.7000108.1A11 S15 T18 I101 L211A11-W13 PolarHBondContact O-N 2.97Å; A11-W13 VanDerWaalsContact O-N 3.15Å; W13-S15 WeakPolarHBondContact O-CA 3.49Å; W13-S15 PolarHBondContact O-N 3.43Å; W13-T18 PolarHBondContact NE1-OG1 3.15Å; W13-I101 HydrophobicContact CH2-CD1 3.73Å; W13-I101 HydrophobicContact CZ2-CD1 3.34Å; W13-I101 HydrophobicContact CZ2-CG1 4.33Å; W13-L211 HydrophobicContact CD2-CD2 4.45Å; W13-L211 HydrophobicContact CE3-CD2 4.13Å; W13-L211 HydrophobicContact CH2-CD2 3.61Å; W13-L211 HydrophobicContact CZ2-CD2 3.96Å; W13-L211 HydrophobicContact CZ3-CD2 3.68Å
14N56.8Low70.7Confident99 Ų9976.4 Ų76.453%0.52940%0.397SS..  trans-63.589.4-178.11796.1000107.8E12 R16 D17E12-N14 PolarHBondContact O-N 3.44Å; N14-R16 PolarHBondContact O-N 3.15Å; N14-R16 PolarHBondContact OD1-N 3.06Å; N14-D17 PolarHBondContact ND2-OD2 2.77Å; N14-D17 PolarHBondContact O-N 3.13Å
15S75.2Confident73.2Confident45 Ų4567.5 Ų67.532%0.31536%0.355SS..G310 helixtrans-68-25.7-165.254.50000110.1W13 D17 T18 P80W13-S15 WeakPolarHBondContact O-CA 3.49Å; W13-S15 PolarHBondContact O-N 3.43Å; S15-D17 VanDerWaalsContact C-N 3.27Å; S15-D17 PolarHBondContact O-N 3.5Å; S15-T18 VanDerWaalsContact O-CB 3.23Å; S15-T18 WeakPolarHBondContact O-CB 3.33Å; S15-T18 PolarHBondContact O-N 2.85Å; S15-T18 VanDerWaalsContact O-N 3.1Å; S15-T18 PolarHBondContact O-OG1 2.92Å; S15-T18 VanDerWaalsContact O-OG1 3.05Å; S15-P80 VanDerWaalsContact O-CB 3.26Å; S15-P80 WeakPolarHBondContact O-CB 3.19Å
16R83.8Confident75.7Confident192 Ų19266.2 Ų66.273%0.72534%0.338SS*.G310 helixtrans-63.2-29.2-175-62.2-175.6-178.1164.71.5113.7N14 K79 P80N14-R16 PolarHBondContact O-N 3.15Å; N14-R16 PolarHBondContact OD1-N 3.06Å; R16-K79 CarbonylContact O-C 3.22Å; R16-K79 WeakPolarHBondContact O-CB 3.19Å; R16-P80 WeakPolarHBondContact O-CD 3.47Å; R16-P80 VanDerWaalsContact O-N 3.11Å
17D88.3Confident77.8Confident74 Ų7456.1 Ų56.140%0.39630%0.301SS..G310 helixtrans-98.76179.3-74-51.3000113.9N14 S15 V19 K79N14-D17 PolarHBondContact ND2-OD2 2.77Å; N14-D17 PolarHBondContact O-N 3.13Å; S15-D17 VanDerWaalsContact C-N 3.27Å; S15-D17 PolarHBondContact O-N 3.5Å; D17-V19 PolarHBondContact O-N 2.65Å; D17-K79 HydrophobicContact CB-CD 4.49Å
18T93.1Very high79.9Confident5 Ų552.6 Ų52.63%0.03128%0.282CS..  trans-70.5127.9-174.4-600000111.1W13 S15 V20 P80 A81 I101 I214W13-T18 PolarHBondContact NE1-OG1 3.15Å; S15-T18 VanDerWaalsContact O-CB 3.23Å; S15-T18 WeakPolarHBondContact O-CB 3.33Å; S15-T18 PolarHBondContact O-N 2.85Å; S15-T18 VanDerWaalsContact O-N 3.1Å; S15-T18 PolarHBondContact O-OG1 2.92Å; S15-T18 VanDerWaalsContact O-OG1 3.05Å; T18-V20 HydrophobicContact CG2-CG2 4.23Å; T18-P80 CarbonylContact O-C 3.55Å; T18-P80 WeakPolarHBondContact O-CA 3.44Å; T18-P80 VanDerWaalsContact O-CB 3.32Å; T18-P80 WeakPolarHBondContact O-CB 3.3Å; T18-A81 PolarHBondContact O-N 2.99Å; T18-I101 HydrophobicContact CG2-CD1 3.79Å; T18-I214 HydrophobicContact CG2-CG1 4.29Å
19V96.9Very high81.9Confident13 Ų1350.8 Ų50.88%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-123.8117.9171.9179.70000108.3D17 I72 K79 A81 Y83 P100 I101D17-V19 PolarHBondContact O-N 2.65Å; V19-I72 HydrophobicContact CG1-CG2 3.54Å; V19-K79 HydrophobicContact CG2-CD 4.19Å; V19-K79 HydrophobicContact CG2-CG 4.13Å; V19-A81 WeakPolarHBondContact CA-O 3.09Å; V19-Y83 HydrophobicContact CG1-CD2 3.77Å; V19-Y83 HydrophobicContact CG1-CE2 3.98Å; V19-P100 HydrophobicContact CB-CB 4.24Å; V19-P100 HydrophobicContact CG1-CB 3.77Å; V19-I101 PolarHBondContact O-N 3.05Å
20V98.3Very high83.9Confident0 Ų048.1 Ų48.10%025%0.251CS..EExtended strand (participates in β ladder)trans-101.5134.5170.4-179.40000108.2T18 A81 V82 Y83 I101 I103 L211 I214T18-V20 HydrophobicContact CG2-CG2 4.23Å; V20-A81 PolarHBondContact N-O 2.68Å; V20-V82 HydrophobicContact CB-CG1 4.42Å; V20-V82 HydrophobicContact CB-CG2 4.18Å; V20-V82 HydrophobicContact CG1-CG1 4.46Å; V20-V82 CarbonylContact O-C 3.39Å; V20-V82 WeakPolarHBondContact O-CA 3.46Å; V20-Y83 PolarHBondContact O-N 3.34Å; V20-I101 CarbonylContact C-O 3.37Å; V20-I101 WeakPolarHBondContact CA-O 3.3Å; V20-I101 HydrophobicContact CG2-CB 4.33Å; V20-I101 HydrophobicContact CG2-CD1 4.33Å; V20-I103 HydrophobicContact CG1-CD1 3.65Å; V20-I103 HydrophobicContact CG1-CG1 3.77Å; V20-I103 HydrophobicContact CG1-CG2 4.27Å; V20-L211 HydrophobicContact CG2-CD1 4.1Å; V20-I214 HydrophobicContact CG2-CG1 4.46Å
21L98.6Very high85.9Confident1 Ų144.8 Ų44.81%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-119.2112174.2177.753.8000109.9F68 Y83 F92 P100 I101 Y102 I103L21-F68 HydrophobicContact CD2-CE1 4.21Å; L21-Y83 WeakPolarHBondContact CA-O 3.45Å; L21-F92 HydrophobicContact CD2-CE2 4.33Å; L21-F92 HydrophobicContact CD2-CZ 4.25Å; L21-P100 HydrophobicContact CB-CB 3.87Å; L21-P100 HydrophobicContact CB-CG 3.61Å; L21-P100 HydrophobicContact CD2-CG 3.83Å; L21-P100 HydrophobicContact CG-CG 4.38Å; L21-I101 PolarHBondContact N-O 3.37Å; L21-Y102 HydrophobicContact CB-CD1 4.26Å; L21-Y102 HydrophobicContact CB-CE1 4.15Å; L21-Y102 HydrophobicContact CD2-CD1 4.29Å; L21-Y102 HydrophobicContact CD2-CE1 3.39Å; L21-Y102 VanDerWaalsContact CD2-OH 3.31Å; L21-Y102 WeakPolarHBondContact CD2-OH 3.46Å; L21-Y102 HydrophobicContact CG-CD1 4.13Å; L21-Y102 HydrophobicContact CG-CE1 3.67Å; L21-Y102 WeakPolarHBondContact O-CA 3.5Å; L21-I103 PolarHBondContact O-N 2.82Å
22Y98.7Very high87.9Confident0 Ų040.8 Ų40.80%020%0.197CC..EExtended strand (participates in β ladder)trans-97.693.7170.2-178.8-155.5000109.9R24 S30 F33 M34 Y83 H84 G85 I103 N104Y22-R24 VanDerWaalsContact C-N 3.25Å; Y22-R24 HydrophobicContact CD1-CG 3.48Å; Y22-R24 VanDerWaalsContact CD1-CG 3.48Å; Y22-R24 HydrophobicContact CD2-CG 4Å; Y22-R24 HydrophobicContact CE1-CB 4.36Å; Y22-R24 HydrophobicContact CE1-CG 3.5Å; Y22-R24 HydrophobicContact CE2-CB 4.34Å; Y22-R24 HydrophobicContact CE2-CG 4.04Å; Y22-R24 HydrophobicContact CG-CG 3.73Å; Y22-R24 VanDerWaalsContact O-CG 3.28Å; Y22-R24 WeakPolarHBondContact O-CG 3.1Å; Y22-R24 PolarHBondContact O-N 2.64Å; Y22-S30 WeakPolarHBondContact OH-CA 3.26Å; Y22-S30 WeakPolarHBondContact OH-CB 3.23Å; Y22-F33 AromaticContact CD1-CD1 3.63Å; Y22-F33 HydrophobicContact CD1-CD1 3.63Å; Y22-F33 AromaticContact CD1-CE1 3.72Å; Y22-F33 HydrophobicContact CD1-CE1 3.72Å; Y22-F33 AromaticContact CE1-CD1 3.46Å; Y22-F33 HydrophobicContact CE1-CD1 3.46Å; Y22-F33 VanDerWaalsContact CE1-CD1 3.46Å; Y22-F33 AromaticContact CE1-CE1 4Å; Y22-F33 HydrophobicContact CE1-CE1 4Å; Y22-F33 HydrophobicContact CE1-CG 4.47Å; Y22-F33 HydrophobicContact CG-CE1 4.41Å; Y22-M34 HydrophobicContact CD1-CG 4.44Å; Y22-M34 HydrophobicContact CD1-SD 3.91Å; Y22-Y83 PolarHBondContact N-O 2.7Å; Y22-H84 HydrophobicContact CD1-CB 4.45Å; Y22-H84 VanDerWaalsContact O-CA 3.24Å; Y22-H84 WeakPolarHBondContact O-CA 3.34Å; Y22-G85 PolarHBondContact O-N 3.08Å; Y22-I103 HydrophobicContact CD2-CG1 4.41Å; Y22-I103 WeakPolarHBondContact CD2-O 3.06Å; Y22-I103 HydrophobicContact CG-CG1 4.31Å; Y22-N104 HydrophobicContact CE2-CB 4.44Å
23N98Very high89.8Confident0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-81.173.9178.669.6-61.2000110.3I25 G85 V87 Y102 N104 Y191N23-I25 PolarHBondContact O-N 3.06Å; N23-G85 CarbonylContact C-O 3.59Å; N23-V87 HydrophobicContact CB-CG1 3.89Å; N23-V87 VanDerWaalsContact CB-O 3.32Å; N23-V87 WeakPolarHBondContact CB-O 3.36Å; N23-Y102 HydrophobicContact CB-CE1 4.37Å; N23-N104 VanDerWaalsContact CG-ND2 3.31Å; N23-N104 PolarHBondContact ND2-ND2 3.2Å; N23-N104 PolarHBondContact O-ND2 3.28Å; N23-N104 PolarHBondContact OD1-ND2 3.46Å; N23-Y191 VanDerWaalsContact CG-OH 3.25Å; N23-Y191 PolarHBondContact ND2-OH 2.89Å; N23-Y191 VanDerWaalsContact OD1-CE1 3.29Å; N23-Y191 WeakPolarHBondContact OD1-CE1 3.49Å; N23-Y191 PolarHBondContact OD1-OH 2.94Å
24R97.4Very high91.7Very high16 Ų1627.8 Ų27.86%0.0614%0.142CC..PPolyproline II helixtrans-54.6122-165.5-52.4-170.8-74.1140.4-1.2112.7Y22 H50 H84 G85 H86 F163Y22-R24 VanDerWaalsContact C-N 3.25Å; Y22-R24 HydrophobicContact CD1-CG 3.48Å; Y22-R24 VanDerWaalsContact CD1-CG 3.48Å; Y22-R24 HydrophobicContact CD2-CG 4Å; Y22-R24 HydrophobicContact CE1-CB 4.36Å; Y22-R24 HydrophobicContact CE1-CG 3.5Å; Y22-R24 HydrophobicContact CE2-CB 4.34Å; Y22-R24 HydrophobicContact CE2-CG 4.04Å; Y22-R24 HydrophobicContact CG-CG 3.73Å; Y22-R24 VanDerWaalsContact O-CG 3.28Å; Y22-R24 WeakPolarHBondContact O-CG 3.1Å; Y22-R24 PolarHBondContact O-N 2.64Å; R24-H50 PolarHBondContact NH2-CD2 3.32Å; R24-H50 PolarHBondContact NH2-NE2 3.16Å; R24-H84 HydrophobicContact CG-CB 4.19Å; R24-H84 VanDerWaalsContact CZ-ND1 3.35Å; R24-H84 PolarHBondContact NE-ND1 2.82Å; R24-G85 PolarHBondContact N-O 3.03Å; R24-H86 PolarHBondContact O-ND1 3.2Å; R24-F163 VanDerWaalsContact O-CE1 3.23Å; R24-F163 WeakPolarHBondContact O-CE1 3.25Å
25I97.7Very high93.4Very high0 Ų024.1 Ų24.10%013%0.128CC..PPolyproline II helixtrans-73.4135.8165.1-62.1169.8000109.1N23 K27 T28 V106 L159 Q160 F163 F164N23-I25 PolarHBondContact O-N 3.06Å; I25-K27 PolarHBondContact O-N 3.36Å; I25-T28 HydrophobicContact CB-CG2 3.8Å; I25-T28 HydrophobicContact CG2-CG2 3.6Å; I25-T28 PolarHBondContact O-OG1 2.8Å; I25-V106 HydrophobicContact CD1-CG1 4.02Å; I25-L159 HydrophobicContact CG2-CD2 4.27Å; I25-Q160 HydrophobicContact CD1-CB 4.01Å; I25-Q160 HydrophobicContact CD1-CG 4.22Å; I25-Q160 HydrophobicContact CG2-CG 4.07Å; I25-F163 HydrophobicContact CB-CD1 4.48Å; I25-F163 HydrophobicContact CD1-CB 4.13Å; I25-F163 HydrophobicContact CG1-CB 3.8Å; I25-F163 HydrophobicContact CG1-CD1 3.66Å; I25-F163 HydrophobicContact CG1-CE1 4.37Å; I25-F163 HydrophobicContact CG1-CG 3.77Å; I25-F164 HydrophobicContact CD1-CD2 4.23Å; I25-F164 HydrophobicContact CD1-CE2 3.67Å
26P95.4Very high94.2Very high20 Ų2022 Ų2213%0.1311%0.113CC..THydrogen-bonded Turntrans-57.3137.4172.2-26.834.6000112.8T28 R112 L159 F163P26-T28 PolarHBondContact O-N 2.92Å; P26-R112 WeakPolarHBondContact O-CD 3.49Å; P26-R112 WeakPolarHBondContact O-CG 3.36Å; P26-L159 HydrophobicContact CB-CD2 4.35Å; P26-L159 HydrophobicContact CG-CD2 4.21Å; P26-F163 HydrophobicContact CG-CZ 4.36Å
27K94.7Very high94.8Very high40 Ų4012.9 Ų12.917%0.1748%0.079CC..THydrogen-bonded Turntrans66.725.9172.4-53.4-57.5-60.71790116.6I25 R107 R112 S115 Y116 F119 T233I25-K27 PolarHBondContact O-N 3.36Å; K27-R107 VanDerWaalsContact O-CD 3.25Å; K27-R107 WeakPolarHBondContact O-CD 3.43Å; K27-R107 PolarHBondContact O-NH1 3.4Å; K27-R112 HydrophobicContact CB-CG 3.89Å; K27-S115 WeakPolarHBondContact CE-OG 3.37Å; K27-S115 PolarHBondContact NZ-OG 2.71Å; K27-Y116 HydrophobicContact CD-CD2 4.37Å; K27-Y116 HydrophobicContact CG-CD2 3.94Å; K27-Y116 HydrophobicContact CG-CG 4.36Å; K27-F119 HydrophobicContact CD-CB 4.43Å; K27-F119 HydrophobicContact CD-CD1 4.44Å; K27-F119 HydrophobicContact CD-CG 4.34Å; K27-T233 PolarHBondContact NZ-OG1 3.13Å
28T96.3Very high95.1Very high0 Ų014.2 Ų14.20%08%0.079CC..SBendtrans-10934.5175.763.70000114I25 P26 S30 V105 R107 T197I25-T28 HydrophobicContact CB-CG2 3.8Å; I25-T28 HydrophobicContact CG2-CG2 3.6Å; I25-T28 PolarHBondContact O-OG1 2.8Å; P26-T28 PolarHBondContact O-N 2.92Å; T28-S30 PolarHBondContact O-N 3.15Å; T28-V105 WeakPolarHBondContact CB-O 3.22Å; T28-V105 WeakPolarHBondContact O-CG1 3.34Å; T28-V105 PolarHBondContact OG1-O 2.62Å; T28-R107 HydrophobicContact CG2-CB 3.85Å; T28-T197 VanDerWaalsContact C-OG1 3.24Å; T28-T197 WeakPolarHBondContact CA-OG1 3.28Å; T28-T197 PolarHBondContact O-OG1 2.97Å
29G92.2Very high95.1Very high14 Ų1416.3 Ų16.314%0.1449%0.09CC..SBendtrans76.52.7178.700000115.7T31 S32 F33G29-T31 PolarHBondContact O-N 3.45Å; G29-S32 PolarHBondContact O-N 3.35Å; G29-F33 PolarHBondContact O-N 3.15Å
30S92.6Very high95Very high6 Ų615.9 Ų15.94%0.0429%0.087CC..Hα-helixtrans-56.4-26.9-170.471.80000116.2Y22 T28 M34Y22-S30 WeakPolarHBondContact OH-CA 3.26Å; Y22-S30 WeakPolarHBondContact OH-CB 3.23Å; T28-S30 PolarHBondContact O-N 3.15Å; S30-M34 WeakPolarHBondContact O-CB 3.47Å; S30-M34 WeakPolarHBondContact O-CG 3.38Å; S30-M34 PolarHBondContact O-N 3.39Å
31T90.3Very high94.8Very high51 Ų5117 Ų1731%0.31310%0.095SC..Hα-helixtrans-80.9-28179.7-31.10000113.4G29 G35 R231G29-T31 PolarHBondContact O-N 3.45Å; T31-G35 PolarHBondContact O-N 2.89Å; T31-G35 VanDerWaalsContact O-N 3.12Å; T31-R231 VanDerWaalsContact CG2-NH1 3.26Å
32S90.8Very high94.7Very high5 Ų527.3 Ų27.34%0.03513%0.134CC..Hα-helixtrans-70-44.8172.2-60.40000110.1G29 M34 G35 S229 L230 R231G29-S32 PolarHBondContact O-N 3.35Å; S32-M34 PolarHBondContact O-N 3.49Å; S32-G35 PolarHBondContact O-N 3.33Å; S32-S229 WeakPolarHBondContact CB-O 3.05Å; S32-S229 PolarHBondContact OG-O 3.09Å; S32-L230 WeakPolarHBondContact OG-CA 3.49Å; S32-R231 PolarHBondContact OG-N 3.02Å; S32-R231 VanDerWaalsContact OG-N 3.15Å
33F95.2Very high94.4Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-58.6-48172.8176.5-112.5000112.6Y22 G29 G35 I36 V37 I103 L200 F203 V204 L207 F215Y22-F33 AromaticContact CD1-CD1 3.63Å; Y22-F33 HydrophobicContact CD1-CD1 3.63Å; Y22-F33 AromaticContact CD1-CE1 3.72Å; Y22-F33 HydrophobicContact CD1-CE1 3.72Å; Y22-F33 AromaticContact CE1-CD1 3.46Å; Y22-F33 HydrophobicContact CE1-CD1 3.46Å; Y22-F33 VanDerWaalsContact CE1-CD1 3.46Å; Y22-F33 AromaticContact CE1-CE1 4Å; Y22-F33 HydrophobicContact CE1-CE1 4Å; Y22-F33 HydrophobicContact CE1-CG 4.47Å; Y22-F33 HydrophobicContact CG-CE1 4.41Å; G29-F33 PolarHBondContact O-N 3.15Å; F33-G35 PolarHBondContact O-N 2.96Å; F33-I36 WeakPolarHBondContact O-CB 3.24Å; F33-I36 PolarHBondContact O-N 2.83Å; F33-I36 VanDerWaalsContact O-N 3.1Å; F33-V37 HydrophobicContact CD1-CG2 4.23Å; F33-V37 HydrophobicContact CE1-CG2 3.79Å; F33-V37 HydrophobicContact CE2-CG2 4.15Å; F33-V37 HydrophobicContact CZ-CG2 3.76Å; F33-V37 PolarHBondContact O-N 3.37Å; F33-I103 HydrophobicContact CE1-CD1 3.96Å; F33-I103 HydrophobicContact CZ-CD1 3.89Å; F33-L200 HydrophobicContact CB-CD1 4.28Å; F33-F203 HydrophobicContact CD2-CD1 4.26Å; F33-F203 HydrophobicContact CD2-CE1 4.03Å; F33-F203 HydrophobicContact CE1-CE1 4.32Å; F33-F203 HydrophobicContact CE2-CD1 4.17Å; F33-F203 AromaticContact CE2-CE1 3.72Å; F33-F203 HydrophobicContact CE2-CE1 3.72Å; F33-F203 HydrophobicContact CG-CE1 4.47Å; F33-F203 AromaticContact CZ-CE1 3.86Å; F33-F203 HydrophobicContact CZ-CE1 3.86Å; F33-V204 HydrophobicContact CD2-CG2 3.76Å; F33-V204 HydrophobicContact CE2-CG2 4Å; F33-L207 HydrophobicContact CE2-CD1 3.78Å; F33-L207 HydrophobicContact CZ-CD1 3.65Å; F33-F215 HydrophobicContact CE2-CE1 4.14Å; F33-F215 AromaticContact CZ-CE1 3.7Å; F33-F215 HydrophobicContact CZ-CE1 3.7Å; F33-F215 HydrophobicContact CZ-CZ 4.2Å
34M94.8Very high94.2Very high3 Ų332.4 Ų32.42%0.01517%0.166CC..Hα-helixtrans-64.5-26179-72.9-54.7-48.300113.1Y22 S30 S32 I36 V37 Y38 V48 H84Y22-M34 HydrophobicContact CD1-CG 4.44Å; Y22-M34 HydrophobicContact CD1-SD 3.91Å; S30-M34 WeakPolarHBondContact O-CB 3.47Å; S30-M34 WeakPolarHBondContact O-CG 3.38Å; S30-M34 PolarHBondContact O-N 3.39Å; S32-M34 PolarHBondContact O-N 3.49Å; M34-I36 VanDerWaalsContact C-N 3.32Å; M34-I36 PolarHBondContact O-N 3.21Å; M34-V37 HydrophobicContact CE-CB 3.8Å; M34-V37 HydrophobicContact CE-CG1 3.74Å; M34-V37 HydrophobicContact CE-CG2 4.43Å; M34-V37 PolarHBondContact O-N 3.07Å; M34-V37 HydrophobicContact SD-CB 4.27Å; M34-V37 HydrophobicContact SD-CG2 4.27Å; M34-Y38 HydrophobicContact CB-CD2 4.33Å; M34-Y38 HydrophobicContact CB-CE2 4.33Å; M34-Y38 HydrophobicContact CE-CD2 4.35Å; M34-Y38 HydrophobicContact CE-CE2 4.09Å; M34-Y38 WeakPolarHBondContact O-CD2 3.16Å; M34-Y38 PolarHBondContact O-N 3.41Å; M34-V48 HydrophobicContact CE-CG1 3.63Å; M34-H84 HydrophobicContact CE-CB 4.16Å; M34-H84 VanDerWaalsContact CE-CD2 3.46Å; M34-H84 WeakPolarHBondContact CE-CD2 3.31Å; M34-H84 HydrophobicContact SD-CB 3.75Å; M34-H84 VanDerWaalsContact SD-CG 3.58Å
35G92.2Very high94.1Very high21 Ų2139 Ų3922%0.21620%0.198CC..Hα-helixtrans-54.2-49.9170.800000111.5T31 S32 F33 V37 Y38 D39T31-G35 PolarHBondContact O-N 2.89Å; T31-G35 VanDerWaalsContact O-N 3.12Å; S32-G35 PolarHBondContact O-N 3.33Å; F33-G35 PolarHBondContact O-N 2.96Å; G35-V37 PolarHBondContact O-N 2.87Å; G35-Y38 PolarHBondContact O-N 3.38Å; G35-D39 PolarHBondContact O-N 3.34Å
36I93.8Very high94Very high2 Ų239.5 Ų39.51%0.0120%0.2CC..Hα-helixtrans-58.7-50.3175-59.5159.6000110.5F33 M34 Y38 D39 L40 V204 A218 T221 I222 F228F33-I36 WeakPolarHBondContact O-CB 3.24Å; F33-I36 PolarHBondContact O-N 2.83Å; F33-I36 VanDerWaalsContact O-N 3.1Å; M34-I36 VanDerWaalsContact C-N 3.32Å; M34-I36 PolarHBondContact O-N 3.21Å; I36-Y38 VanDerWaalsContact C-N 3.27Å; I36-Y38 PolarHBondContact O-N 2.86Å; I36-D39 WeakPolarHBondContact O-CB 3.3Å; I36-D39 PolarHBondContact O-N 2.88Å; I36-L40 HydrophobicContact CG2-CD1 3.77Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 3.11Å; I36-V204 HydrophobicContact CD1-CG1 4.29Å; I36-V204 HydrophobicContact CD1-CG2 3.75Å; I36-A218 HydrophobicContact CG2-CB 3.92Å; I36-T221 HydrophobicContact CG1-CG2 4.46Å; I36-T221 HydrophobicContact CG2-CG2 4.37Å; I36-I222 HydrophobicContact CD1-CD1 3.86Å; I36-I222 HydrophobicContact CD1-CG1 3.74Å; I36-I222 HydrophobicContact CG1-CG1 4.31Å; I36-F228 HydrophobicContact CD1-CD2 3.44Å; I36-F228 VanDerWaalsContact CD1-CD2 3.44Å; I36-F228 HydrophobicContact CD1-CE2 3.63Å; I36-F228 HydrophobicContact CD1-CG 4.5Å; I36-F228 HydrophobicContact CG1-CD2 3.97Å
37V96Very high94.2Very high0 Ų040.7 Ų40.70%021%0.205CC..Hα-helixtrans-59.5-38.3-177.31780000112F33 M34 G35 D39 L40 C41 F46 V48 V82 F215F33-V37 HydrophobicContact CD1-CG2 4.23Å; F33-V37 HydrophobicContact CE1-CG2 3.79Å; F33-V37 HydrophobicContact CE2-CG2 4.15Å; F33-V37 HydrophobicContact CZ-CG2 3.76Å; F33-V37 PolarHBondContact O-N 3.37Å; M34-V37 HydrophobicContact CE-CB 3.8Å; M34-V37 HydrophobicContact CE-CG1 3.74Å; M34-V37 HydrophobicContact CE-CG2 4.43Å; M34-V37 PolarHBondContact O-N 3.07Å; M34-V37 HydrophobicContact SD-CB 4.27Å; M34-V37 HydrophobicContact SD-CG2 4.27Å; G35-V37 PolarHBondContact O-N 2.87Å; V37-D39 VanDerWaalsContact C-N 3.32Å; V37-L40 PolarHBondContact O-N 2.97Å; V37-C41 PolarHBondContact O-N 3.37Å; V37-F46 HydrophobicContact CG1-CE2 3.87Å; V37-F46 HydrophobicContact CG1-CZ 4.08Å; V37-F46 WeakPolarHBondContact O-CZ 3.41Å; V37-V48 HydrophobicContact CG1-CG2 3.86Å; V37-V82 HydrophobicContact CG1-CB 4.07Å; V37-V82 HydrophobicContact CG1-CG1 3.99Å; V37-V82 HydrophobicContact CG1-CG2 4.14Å; V37-F215 HydrophobicContact CG2-CE1 3.99Å
38Y95.2Very high94.4Very high102 Ų10240.2 Ų40.240%0.421%0.205SC..Hα-helixtrans-68.3-29.6175.4-83.1-65000113.3M34 G35 I36 C41 V48 H84M34-Y38 HydrophobicContact CB-CD2 4.33Å; M34-Y38 HydrophobicContact CB-CE2 4.33Å; M34-Y38 HydrophobicContact CE-CD2 4.35Å; M34-Y38 HydrophobicContact CE-CE2 4.09Å; M34-Y38 WeakPolarHBondContact O-CD2 3.16Å; M34-Y38 PolarHBondContact O-N 3.41Å; G35-Y38 PolarHBondContact O-N 3.38Å; I36-Y38 VanDerWaalsContact C-N 3.27Å; I36-Y38 PolarHBondContact O-N 2.86Å; Y38-C41 PolarHBondContact O-SG 2.78Å; Y38-V48 HydrophobicContact CD1-CB 3.95Å; Y38-V48 HydrophobicContact CD1-CG1 3.86Å; Y38-V48 HydrophobicContact CD1-CG2 4.24Å; Y38-V48 HydrophobicContact CE1-CB 3.7Å; Y38-V48 HydrophobicContact CE1-CG1 3.36Å; Y38-V48 HydrophobicContact CE1-CG2 4.46Å; Y38-V48 HydrophobicContact CE2-CG1 4.26Å; Y38-V48 HydrophobicContact CG-CG1 4.48Å; Y38-H84 AromaticContact CZ-NE2 3.82Å; Y38-H84 PolarHBondContact OH-NE2 2.84Å; Y38-H84 VanDerWaalsContact OH-NE2 3.08Å
39D92.8Very high94.4Very high48 Ų4841.8 Ų41.826%0.25721%0.213SC..Hα-helixtrans-74.2-37.7176.6-66.9-34.3000111.9G35 I36 V37 T221 K227G35-D39 PolarHBondContact O-N 3.34Å; I36-D39 WeakPolarHBondContact O-CB 3.3Å; I36-D39 PolarHBondContact O-N 2.88Å; V37-D39 VanDerWaalsContact C-N 3.32Å; D39-T221 HydrophobicContact CB-CG2 4.1Å; D39-K227 VanDerWaalsContact CG-CD 3.46Å; D39-K227 WeakPolarHBondContact OD1-CD 3.49Å; D39-K227 IonicContact OD1-NZ 2.59Å; D39-K227 PolarHBondContact OD1-NZ 3.31Å; D39-K227 WeakPolarHBondContact OD2-CD 3.45Å; D39-K227 IonicContact OD2-NZ 3.9Å
40L93.6Very high94.7Very high4 Ų445.6 Ų45.62%0.02123%0.227CC..Hα-helixtrans-76.5-20.9-177.7-62.7179.8000114I36 V37 R42 S43 N44 F46 A216 A218I36-L40 HydrophobicContact CG2-CD1 3.77Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 3.11Å; V37-L40 PolarHBondContact O-N 2.97Å; L40-R42 VanDerWaalsContact C-N 3.27Å; L40-R42 PolarHBondContact O-N 2.97Å; L40-S43 PolarHBondContact O-N 2.85Å; L40-S43 PolarHBondContact O-OG 3.46Å; L40-S43 VanDerWaalsContact O-OG 3.1Å; L40-N44 WeakPolarHBondContact O-CB 3.48Å; L40-N44 PolarHBondContact O-N 3.21Å; L40-F46 HydrophobicContact CB-CE1 4.05Å; L40-F46 HydrophobicContact CB-CZ 4.13Å; L40-A216 WeakPolarHBondContact CD2-O 3.35Å; L40-A218 HydrophobicContact CD1-CB 3.68Å
41C95.4Very high94.8Very high25 Ų2546.2 Ų46.217%0.16923%0.231CC..Hα-helixtrans-61.1-34.1-168.9750000114V37 Y38 H45 F46 V48V37-C41 PolarHBondContact O-N 3.37Å; Y38-C41 PolarHBondContact O-SG 2.78Å; C41-H45 PolarHBondContact O-N 3.43Å; C41-H45 VanDerWaalsContact O-N 3.15Å; C41-F46 VanDerWaalsContact CA-CE1 3.44Å; C41-F46 VanDerWaalsContact CA-CZ 3.47Å; C41-F46 HydrophobicContact CB-CD2 4.07Å; C41-F46 HydrophobicContact CB-CE1 4.22Å; C41-F46 HydrophobicContact CB-CE2 3.71Å; C41-F46 HydrophobicContact CB-CG 4.47Å; C41-F46 HydrophobicContact CB-CZ 3.79Å; C41-F46 WeakPolarHBondContact CB-O 3.27Å; C41-F46 PolarHBondContact O-N 3.05Å; C41-V48 HydrophobicContact CB-CG2 3.59Å
42R94.6Very high94.8Very high217 Ų21749.7 Ų49.782%0.81925%0.248SC*.Hα-helixtrans-74.7-48.6177.9-63.1-170.2-165.4-159.54.2112L40 N44 H45L40-R42 VanDerWaalsContact C-N 3.27Å; L40-R42 PolarHBondContact O-N 2.97Å; R42-N44 VanDerWaalsContact C-N 3.33Å; R42-H45 PolarHBondContact O-N 2.95Å; R42-H45 PolarHBondContact O-ND1 3.25Å
43S93.8Very high94.8Very high73 Ų7350.4 Ų50.451%0.5125%0.251SS..Hα-helixtrans-68.8-33.5-176.857.40000112.3L40L40-S43 PolarHBondContact O-N 2.85Å; L40-S43 PolarHBondContact O-OG 3.46Å; L40-S43 VanDerWaalsContact O-OG 3.1Å
44N93.9Very high94.2Very high33 Ų3354.7 Ų54.718%0.17628%0.281CS..THydrogen-bonded Turntrans-99.66.8-177.7-61.2-9.5000112.6L40 R42 F46 I214 A216L40-N44 WeakPolarHBondContact O-CB 3.48Å; L40-N44 PolarHBondContact O-N 3.21Å; R42-N44 VanDerWaalsContact C-N 3.33Å; N44-F46 HydrophobicContact CB-CD1 3.7Å; N44-F46 HydrophobicContact CB-CE1 3.75Å; N44-F46 PolarHBondContact O-N 3.41Å; N44-I214 PolarHBondContact ND2-O 2.68Å; N44-A216 PolarHBondContact ND2-N 3.41Å; N44-A216 PolarHBondContact ND2-O 3.29Å; N44-A216 PolarHBondContact OD1-O 3.07Å
45H95.1Very high93.5Very high156 Ų15666.2 Ų66.272%0.72232%0.324SS*.THydrogen-bonded Turntrans5548.5172.2-52.8-64000115C41 R42C41-H45 PolarHBondContact O-N 3.43Å; C41-H45 VanDerWaalsContact O-N 3.15Å; R42-H45 PolarHBondContact O-N 2.95Å; R42-H45 PolarHBondContact O-ND1 3.25Å
46F96.3Very high92.7Very high10 Ų1072.1 Ų72.14%0.04435%0.351CS..  trans-128.3159.2174.269.6-92.6000111.9V37 L40 C41 N44 V48 P80 V82 I214V37-F46 HydrophobicContact CG1-CE2 3.87Å; V37-F46 HydrophobicContact CG1-CZ 4.08Å; V37-F46 WeakPolarHBondContact O-CZ 3.41Å; L40-F46 HydrophobicContact CB-CE1 4.05Å; L40-F46 HydrophobicContact CB-CZ 4.13Å; C41-F46 VanDerWaalsContact CA-CE1 3.44Å; C41-F46 VanDerWaalsContact CA-CZ 3.47Å; C41-F46 HydrophobicContact CB-CD2 4.07Å; C41-F46 HydrophobicContact CB-CE1 4.22Å; C41-F46 HydrophobicContact CB-CE2 3.71Å; C41-F46 HydrophobicContact CB-CG 4.47Å; C41-F46 HydrophobicContact CB-CZ 3.79Å; C41-F46 WeakPolarHBondContact CB-O 3.27Å; C41-F46 PolarHBondContact O-N 3.05Å; N44-F46 HydrophobicContact CB-CD1 3.7Å; N44-F46 HydrophobicContact CB-CE1 3.75Å; N44-F46 PolarHBondContact O-N 3.41Å; F46-V48 HydrophobicContact CD2-CG2 4.13Å; F46-V48 HydrophobicContact CE2-CG2 3.57Å; F46-V48 HydrophobicContact CZ-CG2 4.49Å; F46-P80 CarbonylContact C-O 3.49Å; F46-P80 WeakPolarHBondContact CA-O 3.33Å; F46-P80 HydrophobicContact CB-CB 4.11Å; F46-P80 HydrophobicContact CB-CG 3.83Å; F46-V82 HydrophobicContact CD2-CB 4.4Å; F46-V82 HydrophobicContact CD2-CG2 3.76Å; F46-V82 HydrophobicContact CE2-CB 4.17Å; F46-V82 HydrophobicContact CE2-CG2 3.53Å; F46-V82 HydrophobicContact CZ-CG2 4.38Å; F46-I214 HydrophobicContact CB-CD1 3.78Å; F46-I214 HydrophobicContact CD1-CD1 3.99Å; F46-I214 HydrophobicContact CD1-CG2 4.26Å; F46-I214 HydrophobicContact CD2-CD1 4.4Å; F46-I214 HydrophobicContact CD2-CG2 4.47Å; F46-I214 HydrophobicContact CE1-CG2 3.95Å; F46-I214 WeakPolarHBondContact CE1-O 3.28Å; F46-I214 HydrophobicContact CE2-CG2 4.17Å; F46-I214 HydrophobicContact CG-CD1 3.82Å; F46-I214 HydrophobicContact CZ-CG2 3.91Å
47N98.2Very high92.4Very high45 Ų4575.6 Ų75.624%0.24137%0.369CS..EExtended strand (participates in β ladder)trans-90.8142.6177.6-66.1-91.7000110.9I49 R78 P80 A81 V82N47-I49 HydrophobicContact CB-CD1 4.4Å; N47-I49 HydrophobicContact CB-CG1 4.42Å; N47-R78 WeakPolarHBondContact CB-O 3.15Å; N47-R78 VanDerWaalsContact ND2-C 3.35Å; N47-R78 PolarHBondContact ND2-O 2.95Å; N47-R78 PolarHBondContact OD1-NH1 3.39Å; N47-P80 PolarHBondContact N-O 3.05Å; N47-A81 HydrophobicContact CB-CB 4.31Å; N47-A81 CarbonylContact O-C 3.57Å; N47-A81 WeakPolarHBondContact O-CA 3.46Å; N47-V82 PolarHBondContact O-N 3.18Å
48V98.4Very high92.3Very high29 Ų2977.8 Ų77.818%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-110.1122.7169-177.10000108.9M34 V37 Y38 C41 F46 V82M34-V48 HydrophobicContact CE-CG1 3.63Å; V37-V48 HydrophobicContact CG1-CG2 3.86Å; Y38-V48 HydrophobicContact CD1-CB 3.95Å; Y38-V48 HydrophobicContact CD1-CG1 3.86Å; Y38-V48 HydrophobicContact CD1-CG2 4.24Å; Y38-V48 HydrophobicContact CE1-CB 3.7Å; Y38-V48 HydrophobicContact CE1-CG1 3.36Å; Y38-V48 HydrophobicContact CE1-CG2 4.46Å; Y38-V48 HydrophobicContact CE2-CG1 4.26Å; Y38-V48 HydrophobicContact CG-CG1 4.48Å; C41-V48 HydrophobicContact CB-CG2 3.59Å; F46-V48 HydrophobicContact CD2-CG2 4.13Å; F46-V48 HydrophobicContact CE2-CG2 3.57Å; F46-V48 HydrophobicContact CZ-CG2 4.49Å; V48-V82 WeakPolarHBondContact CA-O 2.95Å
49I98.1Very high92.4Very high33 Ų3374.6 Ų74.617%0.16937%0.367CS..EExtended strand (participates in β ladder)trans-122.9111.6-172.9-59.6169.1000109.6N47 R78 A81 V82 Y83 H84N47-I49 HydrophobicContact CB-CD1 4.4Å; N47-I49 HydrophobicContact CB-CG1 4.42Å; I49-R78 HydrophobicContact CD1-CB 3.95Å; I49-R78 HydrophobicContact CD1-CG 4.18Å; I49-A81 HydrophobicContact CD1-CB 4.2Å; I49-V82 PolarHBondContact N-O 3.26Å; I49-Y83 HydrophobicContact CB-CD1 3.66Å; I49-Y83 HydrophobicContact CB-CE1 3.68Å; I49-Y83 HydrophobicContact CB-CG 4.23Å; I49-Y83 HydrophobicContact CD1-CD1 4.38Å; I49-Y83 HydrophobicContact CD1-CE1 3.61Å; I49-Y83 HydrophobicContact CD1-CE2 3.96Å; I49-Y83 WeakPolarHBondContact CD1-OH 3.49Å; I49-Y83 HydrophobicContact CG1-CE1 4.23Å; I49-Y83 HydrophobicContact CG2-CD1 3.63Å; I49-Y83 HydrophobicContact CG2-CE1 3.47Å; I49-Y83 VanDerWaalsContact CG2-CE1 3.47Å; I49-Y83 WeakPolarHBondContact O-CA 3.21Å; I49-H84 PolarHBondContact O-CD2 3.25Å; I49-H84 PolarHBondContact O-N 2.9Å
50H97Very high92.5Very high94 Ų9473.2 Ų73.244%0.43536%0.359SS..EExtended strand (participates in β ladder)trans-83.4117.7177.7-179.3-130.6000110.8R24 H84R24-H50 PolarHBondContact NH2-CD2 3.32Å; R24-H50 PolarHBondContact NH2-NE2 3.16Å; H50-H84 WeakPolarHBondContact CA-O 3.37Å; H50-H84 WeakPolarHBondContact CB-NE2 3.48Å; H50-H84 AromaticContact CD2-CE1 3.44Å; H50-H84 PolarHBondContact CD2-CE1 3.03Å; H50-H84 VanDerWaalsContact CD2-CE1 3.44Å; H50-H84 AromaticContact CD2-ND1 3.94Å; H50-H84 AromaticContact CD2-NE2 3.7Å; H50-H84 PolarHBondContact CD2-O 3.28Å; H50-H84 AromaticContact CG-CE1 3.99Å; H50-H84 AromaticContact CG-NE2 3.88Å
51V94.9Very high92.6Very high20 Ų2075.7 Ų75.712%0.12138%0.377CS..EExtended strand (participates in β ladder)trans-92.9117.7177.2-174.90000108.8M60 F68 Y83 H84 G85V51-M60 HydrophobicContact CG1-CE 3.98Å; V51-F68 HydrophobicContact CB-CE2 4.32Å; V51-F68 HydrophobicContact CG1-CE2 3.69Å; V51-F68 HydrophobicContact CG1-CZ 4.12Å; V51-F68 HydrophobicContact CG2-CE2 3.64Å; V51-F68 HydrophobicContact CG2-CZ 3.88Å; V51-Y83 HydrophobicContact CG2-CD1 3.95Å; V51-H84 PolarHBondContact N-O 3.49Å; V51-G85 WeakPolarHBondContact O-CA 3.37Å
52N91.7Very high92.6Very high124 Ų12479.1 Ų79.166%0.66339%0.393SS*.  trans-111120175.2-171.5-16.9000109.4
53I89.4Confident92.7Very high20 Ų2077 Ų7710%0.10339%0.385CS..  trans-93.3135173.9-58.9176.7000108.5N56 N57 M60 V87I53-N56 PolarHBondContact O-N 3Å; I53-N57 VanDerWaalsContact CB-O 3.27Å; I53-N57 WeakPolarHBondContact CB-O 3.11Å; I53-N57 HydrophobicContact CG2-CB 4Å; I53-N57 VanDerWaalsContact CG2-O 3.31Å; I53-N57 WeakPolarHBondContact CG2-O 3.32Å; I53-M60 HydrophobicContact CD1-CE 3.89Å; I53-M60 HydrophobicContact CD1-CG 3.92Å; I53-M60 HydrophobicContact CG1-CE 3.85Å; I53-M60 HydrophobicContact CG1-CG 4.43Å; I53-V87 HydrophobicContact CD1-CB 3.6Å; I53-V87 HydrophobicContact CD1-CG2 3.56Å
54S82.7Confident92.8Very high90 Ų9077.2 Ų77.263%0.62938%0.381SS*.G310 helixtrans-55.4147.6-178.564.80000112.6N56 N57S54-N56 PolarHBondContact O-N 3.09Å; S54-N56 VanDerWaalsContact O-N 3.11Å; S54-N57 WeakPolarHBondContact O-CB 3.46Å; S54-N57 PolarHBondContact O-N 2.95Å; S54-N57 VanDerWaalsContact O-N 3.11Å
55R79.6Confident93Very high244 Ų24476.2 Ų76.292%0.92138%0.375SS*.G310 helixtrans58.323.2176.4-54.4-179.4178174.1-0.1114.9N57R55-N57 PolarHBondContact O-N 2.98Å
56N76.8Confident93.1Very high146 Ų14671.7 Ų71.778%0.78136%0.356SS*.G310 helixtrans54.231.7-174-58.6-49.5000112.6I53 S54I53-N56 PolarHBondContact O-N 3Å; S54-N56 PolarHBondContact O-N 3.09Å; S54-N56 VanDerWaalsContact O-N 3.11Å
57N86.7Confident93.1Very high75 Ų7575.1 Ų75.140%0.40137%0.372SS..  trans-75.4149171.4-164.2-4.4000109.3I53 S54 R55 Y59I53-N57 VanDerWaalsContact CB-O 3.27Å; I53-N57 WeakPolarHBondContact CB-O 3.11Å; I53-N57 HydrophobicContact CG2-CB 4Å; I53-N57 VanDerWaalsContact CG2-O 3.31Å; I53-N57 WeakPolarHBondContact CG2-O 3.32Å; S54-N57 WeakPolarHBondContact O-CB 3.46Å; S54-N57 PolarHBondContact O-N 2.95Å; S54-N57 VanDerWaalsContact O-N 3.11Å; R55-N57 PolarHBondContact O-N 2.98Å; N57-Y59 PolarHBondContact ND2-O 2.85Å; N57-Y59 PolarHBondContact OD1-N 3.49Å; N57-Y59 VanDerWaalsContact OD1-N 3.1Å
58H94.8Very high93Very high45 Ų4574.1 Ų74.121%0.20837%0.365CS..SBendtrans-96.8-10.3173.4-54.1143.7000112.3V87 V88 F163H58-V87 WeakPolarHBondContact O-CA 3.46Å; H58-V88 HydrophobicContact CB-CG1 3.93Å; H58-V88 PolarHBondContact O-N 2.59Å; H58-F163 HydrophobicContact CB-CE2 3.96Å; H58-F163 HydrophobicContact CB-CZ 3.87Å; H58-F163 AromaticContact CD2-CZ 3.74Å; H58-F163 AromaticContact CE1-CE2 3.91Å; H58-F163 AromaticContact CG-CE2 3.64Å; H58-F163 AromaticContact CG-CZ 3.52Å; H58-F163 AromaticContact ND1-CE2 3.43Å; H58-F163 WeakPolarHBondContact ND1-CE2 3.39Å; H58-F163 AromaticContact ND1-CZ 3.74Å
59Y95.8Very high93Very high35 Ų3572.7 Ų72.714%0.13736%0.357CS..  trans-110.5134.7-174.4-58.6-88.4000111.3N57 V88 P162 R172N57-Y59 PolarHBondContact ND2-O 2.85Å; N57-Y59 PolarHBondContact OD1-N 3.49Å; N57-Y59 VanDerWaalsContact OD1-N 3.1Å; Y59-V88 HydrophobicContact CD1-CB 4.46Å; Y59-V88 HydrophobicContact CD1-CG1 4.03Å; Y59-V88 HydrophobicContact CD1-CG2 3.59Å; Y59-V88 HydrophobicContact CE1-CB 4.29Å; Y59-V88 HydrophobicContact CE1-CG1 3.67Å; Y59-V88 HydrophobicContact CE1-CG2 3.8Å; Y59-V88 HydrophobicContact CE2-CG1 4.44Å; Y59-V88 HydrophobicContact CG-CG2 4.46Å; Y59-P162 WeakPolarHBondContact OH-CB 3.31Å; Y59-R172 VanDerWaalsContact CD1-NH2 3.25Å; Y59-R172 HydrophobicContact CE1-CG 4.06Å; Y59-R172 HydrophobicContact CE2-CG 4.49Å; Y59-R172 VanDerWaalsContact CG-CZ 3.49Å
60M95.5Very high92.9Very high20 Ų2074.4 Ų74.410%0.09936%0.364CS..  trans-95.2145.1172.9-76.8179.3175.700109.7V51 I53 D64 Q65 F68 V87 I90 H167V51-M60 HydrophobicContact CG1-CE 3.98Å; I53-M60 HydrophobicContact CD1-CE 3.89Å; I53-M60 HydrophobicContact CD1-CG 3.92Å; I53-M60 HydrophobicContact CG1-CE 3.85Å; I53-M60 HydrophobicContact CG1-CG 4.43Å; M60-D64 HydrophobicContact CB-CB 3.79Å; M60-D64 HydrophobicContact CG-CB 4.07Å; M60-D64 HydrophobicContact SD-CB 4.48Å; M60-Q65 HydrophobicContact CB-CG 3.81Å; M60-Q65 PolarHBondContact O-NE2 3.37Å; M60-F68 HydrophobicContact CE-CB 4.43Å; M60-F68 HydrophobicContact CE-CD1 4.29Å; M60-F68 HydrophobicContact CE-CD2 3.96Å; M60-F68 HydrophobicContact CE-CE2 4.19Å; M60-F68 HydrophobicContact CE-CG 3.98Å; M60-F68 HydrophobicContact CE-CZ 4.44Å; M60-F68 HydrophobicContact SD-CB 4.04Å; M60-F68 HydrophobicContact SD-CD1 4.13Å; M60-F68 HydrophobicContact SD-CG 4.02Å; M60-V87 HydrophobicContact CE-CG2 4.1Å; M60-V87 HydrophobicContact CG-CG2 4.37Å; M60-V87 HydrophobicContact SD-CG2 4.13Å; M60-I90 HydrophobicContact SD-CD1 3.81Å; M60-H167 PolarHBondContact N-NE2 3.03Å; M60-H167 PolarHBondContact O-CD2 3.39Å; M60-H167 VanDerWaalsContact O-CD2 3.3Å
61S95Very high92.8Very high56 Ų5674.4 Ų74.439%0.39237%0.367SS..  trans-61.6165.9167.270.20000110.4W63 D64 Q65S61-W63 PolarHBondContact O-N 3.44Å; S61-D64 WeakPolarHBondContact CB-OD2 3.14Å; S61-D64 PolarHBondContact N-OD2 3.25Å; S61-D64 PolarHBondContact O-N 2.88Å; S61-D64 PolarHBondContact OG-N 3.22Å; S61-D64 PolarHBondContact OG-OD2 3.22Å; S61-Q65 WeakPolarHBondContact O-CB 3.46Å; S61-Q65 VanDerWaalsContact O-CG 3.28Å; S61-Q65 WeakPolarHBondContact O-CG 3.35Å; S61-Q65 PolarHBondContact O-N 3.05Å; S61-Q65 PolarHBondContact O-NE2 3.39Å
62L96.1Very high92.8Very high97 Ų9773.6 Ų73.651%0.50836%0.362SS..Hα-helixtrans-59.6-37.6174.7179.260.4000111.5Q65 L66 L95L62-Q65 WeakPolarHBondContact O-CB 3.36Å; L62-Q65 PolarHBondContact O-N 3.03Å; L62-L66 HydrophobicContact CG-CD1 4.33Å; L62-L66 WeakPolarHBondContact O-CG 3.26Å; L62-L66 PolarHBondContact O-N 3.1Å; L62-L95 HydrophobicContact CD1-CD2 4.11Å
63W96.2Very high92.9Very high171 Ų17168.4 Ų68.465%0.64834%0.336SS*.Hα-helixtrans-62.1-48.1175.6-178.1-109.5000112.2S61 Q65 L66 H67S61-W63 PolarHBondContact O-N 3.44Å; W63-Q65 VanDerWaalsContact C-N 3.3Å; W63-Q65 PolarHBondContact O-N 3.03Å; W63-L66 PolarHBondContact O-N 3.15Å; W63-H67 AromaticContact CD1-CD2 3.84Å; W63-H67 AromaticContact CD2-CD2 3.7Å; W63-H67 AromaticContact CD2-NE2 3.92Å; W63-H67 AromaticContact CE2-CD2 3.26Å; W63-H67 AromaticContact CE2-NE2 3.11Å; W63-H67 AromaticContact CH2-NE2 3.45Å; W63-H67 WeakPolarHBondContact CH2-NE2 3.45Å; W63-H67 AromaticContact CZ2-CD2 3.58Å; W63-H67 AromaticContact CZ2-NE2 2.88Å; W63-H67 WeakPolarHBondContact CZ2-NE2 3.38Å; W63-H67 AromaticContact NE1-CD2 3.32Å; W63-H67 PolarHBondContact NE1-CD2 3.06Å; W63-H67 VanDerWaalsContact NE1-CD2 3.32Å; W63-H67 AromaticContact NE1-NE2 3.48Å; W63-H67 PolarHBondContact NE1-NE2 3.28Å; W63-H67 PolarHBondContact O-N 3.45Å
64D96.5Very high93.1Very high79 Ų7972.1 Ų72.142%0.42236%0.356SS..Hα-helixtrans-63.4-38.2177-62.7-41.7000111.4M60 S61 F68M60-D64 HydrophobicContact CB-CB 3.79Å; M60-D64 HydrophobicContact CG-CB 4.07Å; M60-D64 HydrophobicContact SD-CB 4.48Å; S61-D64 WeakPolarHBondContact CB-OD2 3.14Å; S61-D64 PolarHBondContact N-OD2 3.25Å; S61-D64 PolarHBondContact O-N 2.88Å; S61-D64 PolarHBondContact OG-N 3.22Å; S61-D64 PolarHBondContact OG-OD2 3.22Å; D64-F68 WeakPolarHBondContact O-CB 3.44Å; D64-F68 PolarHBondContact O-N 3.19Å
65Q97.4Very high93.6Very high11 Ų1173.1 Ų73.15%0.05135%0.346CS..Hα-helixtrans-60.8-47.6175.1-74.9168.965.600111.4M60 S61 L62 W63 F68 A69 I90 L95 H167M60-Q65 HydrophobicContact CB-CG 3.81Å; M60-Q65 PolarHBondContact O-NE2 3.37Å; S61-Q65 WeakPolarHBondContact O-CB 3.46Å; S61-Q65 VanDerWaalsContact O-CG 3.28Å; S61-Q65 WeakPolarHBondContact O-CG 3.35Å; S61-Q65 PolarHBondContact O-N 3.05Å; S61-Q65 PolarHBondContact O-NE2 3.39Å; L62-Q65 WeakPolarHBondContact O-CB 3.36Å; L62-Q65 PolarHBondContact O-N 3.03Å; W63-Q65 VanDerWaalsContact C-N 3.3Å; W63-Q65 PolarHBondContact O-N 3.03Å; Q65-F68 PolarHBondContact O-N 3.11Å; Q65-A69 VanDerWaalsContact O-CB 3.24Å; Q65-A69 WeakPolarHBondContact O-CB 3.44Å; Q65-A69 PolarHBondContact O-N 2.91Å; Q65-I90 HydrophobicContact CG-CD1 4.29Å; Q65-I90 HydrophobicContact CG-CG1 4.38Å; Q65-I90 HydrophobicContact CG-CG2 4.44Å; Q65-L95 HydrophobicContact CB-CD1 3.86Å; Q65-H167 VanDerWaalsContact CD-CD2 3.45Å; Q65-H167 PolarHBondContact NE2-CD2 2.81Å
66L97.6Very high94.3Very high62 Ų6265.9 Ų65.933%0.32533%0.328SS..Hα-helixtrans-59.3-51.7177.3-76.6164.7000110.9L62 W63 F68 A69 Q70 L95L62-L66 HydrophobicContact CG-CD1 4.33Å; L62-L66 WeakPolarHBondContact O-CG 3.26Å; L62-L66 PolarHBondContact O-N 3.1Å; W63-L66 PolarHBondContact O-N 3.15Å; L66-F68 PolarHBondContact O-N 3.42Å; L66-A69 PolarHBondContact O-N 2.86Å; L66-Q70 WeakPolarHBondContact O-CB 3.24Å; L66-Q70 VanDerWaalsContact O-CG 3.27Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.43Å; L66-L95 HydrophobicContact CD2-CB 4.1Å; L66-L95 HydrophobicContact CD2-CD2 3.82Å; L66-L95 HydrophobicContact CG-CD2 4.15Å
67H96.7Very high95.1Very high81 Ų8166.1 Ų66.138%0.37533%0.325SS..Hα-helixtrans-61.2-44.4178.5-90.8-68.5000112.8W63 Q70 N71W63-H67 AromaticContact CD1-CD2 3.84Å; W63-H67 AromaticContact CD2-CD2 3.7Å; W63-H67 AromaticContact CD2-NE2 3.92Å; W63-H67 AromaticContact CE2-CD2 3.26Å; W63-H67 AromaticContact CE2-NE2 3.11Å; W63-H67 AromaticContact CH2-NE2 3.45Å; W63-H67 WeakPolarHBondContact CH2-NE2 3.45Å; W63-H67 AromaticContact CZ2-CD2 3.58Å; W63-H67 AromaticContact CZ2-NE2 2.88Å; W63-H67 WeakPolarHBondContact CZ2-NE2 3.38Å; W63-H67 AromaticContact NE1-CD2 3.32Å; W63-H67 PolarHBondContact NE1-CD2 3.06Å; W63-H67 VanDerWaalsContact NE1-CD2 3.32Å; W63-H67 AromaticContact NE1-NE2 3.48Å; W63-H67 PolarHBondContact NE1-NE2 3.28Å; W63-H67 PolarHBondContact O-N 3.45Å; H67-Q70 PolarHBondContact O-N 3.22Å; H67-N71 VanDerWaalsContact O-CB 3.23Å; H67-N71 WeakPolarHBondContact O-CB 3.43Å; H67-N71 PolarHBondContact O-N 3.43Å; H67-N71 PolarHBondContact O-ND2 2.92Å
68F97Very high95.6Very high24 Ų2467.8 Ų67.811%0.10533%0.326CS..Hα-helixtrans-62.4-46179.3-175.8-111.6000111.3L21 V51 M60 D64 Q65 L66 N71 I72 I90 F92L21-F68 HydrophobicContact CD2-CE1 4.21Å; V51-F68 HydrophobicContact CB-CE2 4.32Å; V51-F68 HydrophobicContact CG1-CE2 3.69Å; V51-F68 HydrophobicContact CG1-CZ 4.12Å; V51-F68 HydrophobicContact CG2-CE2 3.64Å; V51-F68 HydrophobicContact CG2-CZ 3.88Å; M60-F68 HydrophobicContact CE-CB 4.43Å; M60-F68 HydrophobicContact CE-CD1 4.29Å; M60-F68 HydrophobicContact CE-CD2 3.96Å; M60-F68 HydrophobicContact CE-CE2 4.19Å; M60-F68 HydrophobicContact CE-CG 3.98Å; M60-F68 HydrophobicContact CE-CZ 4.44Å; M60-F68 HydrophobicContact SD-CB 4.04Å; M60-F68 HydrophobicContact SD-CD1 4.13Å; M60-F68 HydrophobicContact SD-CG 4.02Å; D64-F68 WeakPolarHBondContact O-CB 3.44Å; D64-F68 PolarHBondContact O-N 3.19Å; Q65-F68 PolarHBondContact O-N 3.11Å; L66-F68 PolarHBondContact O-N 3.42Å; F68-N71 PolarHBondContact O-N 3.48Å; F68-I72 HydrophobicContact CD1-CD1 4.06Å; F68-I72 HydrophobicContact CD2-CD1 3.93Å; F68-I72 HydrophobicContact CD2-CG1 4.35Å; F68-I72 HydrophobicContact CE1-CD1 3.5Å; F68-I72 HydrophobicContact CE2-CD1 3.34Å; F68-I72 HydrophobicContact CE2-CG1 4.14Å; F68-I72 HydrophobicContact CG-CD1 4.27Å; F68-I72 HydrophobicContact CZ-CD1 3.12Å; F68-I72 HydrophobicContact CZ-CG1 4.31Å; F68-I72 WeakPolarHBondContact O-CB 3.32Å; F68-I72 WeakPolarHBondContact O-CG1 3.39Å; F68-I72 PolarHBondContact O-N 2.82Å; F68-I90 HydrophobicContact CD1-CD1 3.68Å; F68-I90 HydrophobicContact CE1-CD1 4.01Å; F68-F92 HydrophobicContact CD1-CE2 4.25Å; F68-F92 AromaticContact CD1-CZ 3.94Å; F68-F92 HydrophobicContact CD1-CZ 3.94Å; F68-F92 HydrophobicContact CE1-CE2 4.34Å; F68-F92 AromaticContact CE1-CZ 3.97Å; F68-F92 HydrophobicContact CE1-CZ 3.97Å
69A97.4Very high95.5Very high0 Ų067.9 Ų67.90%033%0.326CS..Hα-helixtrans-64.6-43.518000000112.4Q65 L66 S73 F92 L95 A97Q65-A69 VanDerWaalsContact O-CB 3.24Å; Q65-A69 WeakPolarHBondContact O-CB 3.44Å; Q65-A69 PolarHBondContact O-N 2.91Å; L66-A69 PolarHBondContact O-N 2.86Å; A69-S73 VanDerWaalsContact O-CB 3.23Å; A69-S73 WeakPolarHBondContact O-CB 3.36Å; A69-S73 PolarHBondContact O-N 3.05Å; A69-S73 VanDerWaalsContact O-N 3.08Å; A69-S73 PolarHBondContact O-OG 3.3Å; A69-F92 HydrophobicContact CB-CB 4.3Å; A69-F92 HydrophobicContact CB-CD1 3.72Å; A69-F92 HydrophobicContact CB-CD2 4.06Å; A69-F92 HydrophobicContact CB-CE1 4.01Å; A69-F92 HydrophobicContact CB-CE2 4.3Å; A69-F92 HydrophobicContact CB-CG 3.75Å; A69-F92 HydrophobicContact CB-CZ 4.27Å; A69-L95 HydrophobicContact CB-CB 4.16Å; A69-L95 HydrophobicContact CB-CD1 3.77Å; A69-A97 HydrophobicContact CB-CB 3.89Å
70Q95.9Very high95.6Very high68 Ų6867 Ų6732%0.31832%0.324SS..Hα-helixtrans-66.3-45.2177-69.1-60.2-30.100111.6L66 H67 S73 N74 L95 G96L66-Q70 WeakPolarHBondContact O-CB 3.24Å; L66-Q70 VanDerWaalsContact O-CG 3.27Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.43Å; H67-Q70 PolarHBondContact O-N 3.22Å; Q70-S73 PolarHBondContact O-N 2.96Å; Q70-N74 VanDerWaalsContact O-CB 3.3Å; Q70-N74 WeakPolarHBondContact O-CB 3.47Å; Q70-N74 PolarHBondContact O-N 3.47Å; Q70-N74 PolarHBondContact O-ND2 2.87Å; Q70-N74 VanDerWaalsContact O-ND2 3.11Å; Q70-N74 PolarHBondContact OE1-ND2 2.9Å; Q70-L95 PolarHBondContact NE2-O 3.34Å; Q70-G96 PolarHBondContact NE2-O 3.46Å
71N95.2Very high95.7Very high94 Ų9466.1 Ų66.150%0.50332%0.32SS..Hα-helixtrans-62.2-51.1179.5-73.7-9.7000111.3H67 F68 S73 N74 W75H67-N71 VanDerWaalsContact O-CB 3.23Å; H67-N71 WeakPolarHBondContact O-CB 3.43Å; H67-N71 PolarHBondContact O-N 3.43Å; H67-N71 PolarHBondContact O-ND2 2.92Å; F68-N71 PolarHBondContact O-N 3.48Å; N71-S73 VanDerWaalsContact C-N 3.28Å; N71-S73 PolarHBondContact O-N 3.49Å; N71-N74 PolarHBondContact O-N 3.22Å; N71-W75 WeakPolarHBondContact O-CB 3.35Å; N71-W75 PolarHBondContact O-N 3.19Å
72I94.8Very high95.8Very high4 Ų463.4 Ų63.42%0.02130%0.301CS..Hα-helixtrans-62.4-37.9-179.5-71.9-170.1000111.9V19 F68 Y83 F92V19-I72 HydrophobicContact CG1-CG2 3.54Å; F68-I72 HydrophobicContact CD1-CD1 4.06Å; F68-I72 HydrophobicContact CD2-CD1 3.93Å; F68-I72 HydrophobicContact CD2-CG1 4.35Å; F68-I72 HydrophobicContact CE1-CD1 3.5Å; F68-I72 HydrophobicContact CE2-CD1 3.34Å; F68-I72 HydrophobicContact CE2-CG1 4.14Å; F68-I72 HydrophobicContact CG-CD1 4.27Å; F68-I72 HydrophobicContact CZ-CD1 3.12Å; F68-I72 HydrophobicContact CZ-CG1 4.31Å; F68-I72 WeakPolarHBondContact O-CB 3.32Å; F68-I72 WeakPolarHBondContact O-CG1 3.39Å; F68-I72 PolarHBondContact O-N 2.82Å; I72-Y83 HydrophobicContact CB-CE2 4.46Å; I72-Y83 HydrophobicContact CD1-CD1 3.52Å; I72-Y83 HydrophobicContact CD1-CD2 4.1Å; I72-Y83 HydrophobicContact CD1-CE1 3.75Å; I72-Y83 HydrophobicContact CD1-CE2 4.29Å; I72-Y83 HydrophobicContact CD1-CG 3.7Å; I72-Y83 HydrophobicContact CG1-CD1 3.92Å; I72-Y83 HydrophobicContact CG1-CD2 4.36Å; I72-Y83 HydrophobicContact CG1-CE1 3.58Å; I72-Y83 HydrophobicContact CG1-CE2 4.05Å; I72-Y83 HydrophobicContact CG1-CG 4.3Å; I72-Y83 HydrophobicContact CG2-CD2 4.22Å; I72-Y83 HydrophobicContact CG2-CE2 3.99Å; I72-F92 HydrophobicContact CB-CE1 3.89Å; I72-F92 HydrophobicContact CB-CZ 4.36Å; I72-F92 HydrophobicContact CD1-CZ 4.25Å; I72-F92 HydrophobicContact CG2-CE1 3.84Å; I72-F92 HydrophobicContact CG2-CZ 4.37Å
73S93.6Very high95.9Very high15 Ų1559.2 Ų59.211%0.10528%0.278CS..Hα-helixtrans-71.4-32.9-179.3-60.50000112.8A69 Q70 N71 K79 A97 K98A69-S73 VanDerWaalsContact O-CB 3.23Å; A69-S73 WeakPolarHBondContact O-CB 3.36Å; A69-S73 PolarHBondContact O-N 3.05Å; A69-S73 VanDerWaalsContact O-N 3.08Å; A69-S73 PolarHBondContact O-OG 3.3Å; Q70-S73 PolarHBondContact O-N 2.96Å; N71-S73 VanDerWaalsContact C-N 3.28Å; N71-S73 PolarHBondContact O-N 3.49Å; S73-K79 VanDerWaalsContact O-CE 3.3Å; S73-K79 WeakPolarHBondContact O-CE 3.2Å; S73-K79 PolarHBondContact O-NZ 3.49Å; S73-A97 WeakPolarHBondContact OG-CB 3.23Å; S73-K98 PolarHBondContact OG-O 2.86Å
74N93.5Very high96Very high98 Ų9851.3 Ų51.352%0.52425%0.248SC..Hα-helixtrans-114.4-4.2-167.7-59-39.2000114.4Q70 N71 V76Q70-N74 VanDerWaalsContact O-CB 3.3Å; Q70-N74 WeakPolarHBondContact O-CB 3.47Å; Q70-N74 PolarHBondContact O-N 3.47Å; Q70-N74 PolarHBondContact O-ND2 2.87Å; Q70-N74 VanDerWaalsContact O-ND2 3.11Å; Q70-N74 PolarHBondContact OE1-ND2 2.9Å; N71-N74 PolarHBondContact O-N 3.22Å; N74-V76 PolarHBondContact O-N 3.16Å
75W94.6Very high96.1Very high110 Ų11047.5 Ų47.542%0.41723%0.228SC..  trans-77.969.8179.3-164.54.6000112.1N71 Q77 R78N71-W75 WeakPolarHBondContact O-CB 3.35Å; N71-W75 PolarHBondContact O-N 3.19Å; W75-Q77 VanDerWaalsContact C-N 3.25Å; W75-Q77 PolarHBondContact O-N 3.03Å; W75-R78 HydrophobicContact CD2-CB 4Å; W75-R78 HydrophobicContact CD2-CG 3.51Å; W75-R78 HydrophobicContact CE3-CB 4.45Å; W75-R78 HydrophobicContact CE3-CG 4.03Å; W75-R78 HydrophobicContact CG-CB 4.06Å; W75-R78 HydrophobicContact CG-CG 3.93Å; W75-R78 HydrophobicContact CH2-CG 4.14Å; W75-R78 HydrophobicContact CZ2-CG 3.64Å; W75-R78 HydrophobicContact CZ3-CG 4.31Å; W75-R78 PolarHBondContact O-N 3.41Å
76V93Very high96Very high92 Ų9250.1 Ų50.156%0.55824%0.24SC*.G310 helixtrans-53.7-39.6-174.3178.50000112.2N74 R78 K79N74-V76 PolarHBondContact O-N 3.16Å; V76-R78 PolarHBondContact O-N 3.1Å; V76-R78 VanDerWaalsContact O-N 3.08Å; V76-K79 PolarHBondContact O-N 2.71Å
77Q94.9Very high96Very high152 Ų15247.2 Ų47.271%0.7123%0.225SC*.G310 helixtrans-63.7-17.5-178.3-59.582.8-1.900113.6W75W75-Q77 VanDerWaalsContact C-N 3.25Å; W75-Q77 PolarHBondContact O-N 3.03Å
78R95.2Very high96.1Very high110 Ų11043.4 Ų43.442%0.41521%0.208SC..G310 helixtrans-103.1-0.7177.6-70-61.1-175.8-173.5-4.1113.3N47 I49 W75 V76 P80 A81N47-R78 WeakPolarHBondContact CB-O 3.15Å; N47-R78 VanDerWaalsContact ND2-C 3.35Å; N47-R78 PolarHBondContact ND2-O 2.95Å; N47-R78 PolarHBondContact OD1-NH1 3.39Å; I49-R78 HydrophobicContact CD1-CB 3.95Å; I49-R78 HydrophobicContact CD1-CG 4.18Å; W75-R78 HydrophobicContact CD2-CB 4Å; W75-R78 HydrophobicContact CD2-CG 3.51Å; W75-R78 HydrophobicContact CE3-CB 4.45Å; W75-R78 HydrophobicContact CE3-CG 4.03Å; W75-R78 HydrophobicContact CG-CB 4.06Å; W75-R78 HydrophobicContact CG-CG 3.93Å; W75-R78 HydrophobicContact CH2-CG 4.14Å; W75-R78 HydrophobicContact CZ2-CG 3.64Å; W75-R78 HydrophobicContact CZ3-CG 4.31Å; W75-R78 PolarHBondContact O-N 3.41Å; V76-R78 PolarHBondContact O-N 3.1Å; V76-R78 VanDerWaalsContact O-N 3.08Å; R78-P80 CarbonylContact O-C 3.58Å; R78-A81 WeakPolarHBondContact O-CB 3.42Å
79K94.7Very high96.2Very high47 Ų4742.8 Ų42.820%0.20421%0.205CC..  trans-85.8144.8177.4-61-175.6-175.7173.30111.4R16 D17 V19 S73 V76R16-K79 CarbonylContact O-C 3.22Å; R16-K79 WeakPolarHBondContact O-CB 3.19Å; D17-K79 HydrophobicContact CB-CD 4.49Å; V19-K79 HydrophobicContact CG2-CD 4.19Å; V19-K79 HydrophobicContact CG2-CG 4.13Å; S73-K79 VanDerWaalsContact O-CE 3.3Å; S73-K79 WeakPolarHBondContact O-CE 3.2Å; S73-K79 PolarHBondContact O-NZ 3.49Å; V76-K79 PolarHBondContact O-N 2.71Å
80P96.2Very high96.2Very high17 Ų1742.9 Ų42.911%0.1121%0.205CC..SBendcis-72.2155.3-5.823.5-23.7000112.6S15 R16 T18 F46 N47 R78 I214S15-P80 VanDerWaalsContact O-CB 3.26Å; S15-P80 WeakPolarHBondContact O-CB 3.19Å; R16-P80 WeakPolarHBondContact O-CD 3.47Å; R16-P80 VanDerWaalsContact O-N 3.11Å; T18-P80 CarbonylContact O-C 3.55Å; T18-P80 WeakPolarHBondContact O-CA 3.44Å; T18-P80 VanDerWaalsContact O-CB 3.32Å; T18-P80 WeakPolarHBondContact O-CB 3.3Å; F46-P80 CarbonylContact C-O 3.49Å; F46-P80 WeakPolarHBondContact CA-O 3.33Å; F46-P80 HydrophobicContact CB-CB 4.11Å; F46-P80 HydrophobicContact CB-CG 3.83Å; N47-P80 PolarHBondContact N-O 3.05Å; R78-P80 CarbonylContact O-C 3.58Å; P80-I214 HydrophobicContact CB-CD1 4.13Å
81A97.7Very high96.3Very high0 Ų042.4 Ų42.40%021%0.205CC..EExtended strand (participates in β ladder)trans-142.8145.7-177.700000114.3T18 V19 V20 N47 I49 R78 Y83T18-A81 PolarHBondContact O-N 2.99Å; V19-A81 WeakPolarHBondContact CA-O 3.09Å; V20-A81 PolarHBondContact N-O 2.68Å; N47-A81 HydrophobicContact CB-CB 4.31Å; N47-A81 CarbonylContact O-C 3.57Å; N47-A81 WeakPolarHBondContact O-CA 3.46Å; I49-A81 HydrophobicContact CD1-CB 4.2Å; R78-A81 WeakPolarHBondContact O-CB 3.42Å; A81-Y83 HydrophobicContact CB-CD2 3.9Å; A81-Y83 HydrophobicContact CB-CE2 3.5Å
82V98.5Very high96.4Very high0 Ų038 Ų380%018%0.181CC..EExtended strand (participates in β ladder)trans-106.3109.9161-176.70000108.5V20 V37 F46 N47 V48 I49 I214V20-V82 HydrophobicContact CB-CG1 4.42Å; V20-V82 HydrophobicContact CB-CG2 4.18Å; V20-V82 HydrophobicContact CG1-CG1 4.46Å; V20-V82 CarbonylContact O-C 3.39Å; V20-V82 WeakPolarHBondContact O-CA 3.46Å; V37-V82 HydrophobicContact CG1-CB 4.07Å; V37-V82 HydrophobicContact CG1-CG1 3.99Å; V37-V82 HydrophobicContact CG1-CG2 4.14Å; F46-V82 HydrophobicContact CD2-CB 4.4Å; F46-V82 HydrophobicContact CD2-CG2 3.76Å; F46-V82 HydrophobicContact CE2-CB 4.17Å; F46-V82 HydrophobicContact CE2-CG2 3.53Å; F46-V82 HydrophobicContact CZ-CG2 4.38Å; N47-V82 PolarHBondContact O-N 3.18Å; V48-V82 WeakPolarHBondContact CA-O 2.95Å; I49-V82 PolarHBondContact N-O 3.26Å; V82-I214 HydrophobicContact CG2-CG2 3.55Å
83Y98.5Very high96.4Very high8 Ų844.7 Ų44.73%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-87.9139.9169.7-72.3-99.1000109.5V19 V20 L21 Y22 I49 V51 I72 A81V19-Y83 HydrophobicContact CG1-CD2 3.77Å; V19-Y83 HydrophobicContact CG1-CE2 3.98Å; V20-Y83 PolarHBondContact O-N 3.34Å; L21-Y83 WeakPolarHBondContact CA-O 3.45Å; Y22-Y83 PolarHBondContact N-O 2.7Å; I49-Y83 HydrophobicContact CB-CD1 3.66Å; I49-Y83 HydrophobicContact CB-CE1 3.68Å; I49-Y83 HydrophobicContact CB-CG 4.23Å; I49-Y83 HydrophobicContact CD1-CD1 4.38Å; I49-Y83 HydrophobicContact CD1-CE1 3.61Å; I49-Y83 HydrophobicContact CD1-CE2 3.96Å; I49-Y83 WeakPolarHBondContact CD1-OH 3.49Å; I49-Y83 HydrophobicContact CG1-CE1 4.23Å; I49-Y83 HydrophobicContact CG2-CD1 3.63Å; I49-Y83 HydrophobicContact CG2-CE1 3.47Å; I49-Y83 VanDerWaalsContact CG2-CE1 3.47Å; I49-Y83 WeakPolarHBondContact O-CA 3.21Å; V51-Y83 HydrophobicContact CG2-CD1 3.95Å; I72-Y83 HydrophobicContact CB-CE2 4.46Å; I72-Y83 HydrophobicContact CD1-CD1 3.52Å; I72-Y83 HydrophobicContact CD1-CD2 4.1Å; I72-Y83 HydrophobicContact CD1-CE1 3.75Å; I72-Y83 HydrophobicContact CD1-CE2 4.29Å; I72-Y83 HydrophobicContact CD1-CG 3.7Å; I72-Y83 HydrophobicContact CG1-CD1 3.92Å; I72-Y83 HydrophobicContact CG1-CD2 4.36Å; I72-Y83 HydrophobicContact CG1-CE1 3.58Å; I72-Y83 HydrophobicContact CG1-CE2 4.05Å; I72-Y83 HydrophobicContact CG1-CG 4.3Å; I72-Y83 HydrophobicContact CG2-CD2 4.22Å; I72-Y83 HydrophobicContact CG2-CE2 3.99Å; A81-Y83 HydrophobicContact CB-CD2 3.9Å; A81-Y83 HydrophobicContact CB-CE2 3.5Å
84H98.3Very high96.5Very high5 Ų551.9 Ų51.92%0.02324%0.235CC..EExtended strand (participates in β ladder)trans-147.9143.6174.375.7112.3000112.3Y22 R24 M34 Y38 I49 H50 V51Y22-H84 HydrophobicContact CD1-CB 4.45Å; Y22-H84 VanDerWaalsContact O-CA 3.24Å; Y22-H84 WeakPolarHBondContact O-CA 3.34Å; R24-H84 HydrophobicContact CG-CB 4.19Å; R24-H84 VanDerWaalsContact CZ-ND1 3.35Å; R24-H84 PolarHBondContact NE-ND1 2.82Å; M34-H84 HydrophobicContact CE-CB 4.16Å; M34-H84 VanDerWaalsContact CE-CD2 3.46Å; M34-H84 WeakPolarHBondContact CE-CD2 3.31Å; M34-H84 HydrophobicContact SD-CB 3.75Å; M34-H84 VanDerWaalsContact SD-CG 3.58Å; Y38-H84 AromaticContact CZ-NE2 3.82Å; Y38-H84 PolarHBondContact OH-NE2 2.84Å; Y38-H84 VanDerWaalsContact OH-NE2 3.08Å; I49-H84 PolarHBondContact O-CD2 3.25Å; I49-H84 PolarHBondContact O-N 2.9Å; H50-H84 WeakPolarHBondContact CA-O 3.37Å; H50-H84 WeakPolarHBondContact CB-NE2 3.48Å; H50-H84 AromaticContact CD2-CE1 3.44Å; H50-H84 PolarHBondContact CD2-CE1 3.03Å; H50-H84 VanDerWaalsContact CD2-CE1 3.44Å; H50-H84 AromaticContact CD2-ND1 3.94Å; H50-H84 AromaticContact CD2-NE2 3.7Å; H50-H84 PolarHBondContact CD2-O 3.28Å; H50-H84 AromaticContact CG-CE1 3.99Å; H50-H84 AromaticContact CG-NE2 3.88Å; V51-H84 PolarHBondContact N-O 3.49Å
85G97.1Very high96.7Very high0 Ų047.9 Ų47.90%021%0.214CC..EExtended strand (participates in β ladder)trans179.2161.5-176.500000111.8Y22 N23 R24 V51 V87Y22-G85 PolarHBondContact O-N 3.08Å; N23-G85 CarbonylContact C-O 3.59Å; R24-G85 PolarHBondContact N-O 3.03Å; V51-G85 WeakPolarHBondContact O-CA 3.37Å; G85-V87 VanDerWaalsContact C-N 3.27Å; G85-V87 PolarHBondContact O-N 2.99Å
86H96.8Very high96.7Very high65 Ų6545.8 Ų45.830%0.30123%0.226SC..SBendtrans-81.876.2175.5-65.2-55.3000109.8R24R24-H86 PolarHBondContact O-ND1 3.2Å
87V97.4Very high96.8Very high2 Ų242 Ų421%0.01220%0.204CC..  trans-126.9143.4-179.862.70000109.2N23 I53 H58 M60 G85 I90 F163N23-V87 HydrophobicContact CB-CG1 3.89Å; N23-V87 VanDerWaalsContact CB-O 3.32Å; N23-V87 WeakPolarHBondContact CB-O 3.36Å; I53-V87 HydrophobicContact CD1-CB 3.6Å; I53-V87 HydrophobicContact CD1-CG2 3.56Å; H58-V87 WeakPolarHBondContact O-CA 3.46Å; M60-V87 HydrophobicContact CE-CG2 4.1Å; M60-V87 HydrophobicContact CG-CG2 4.37Å; M60-V87 HydrophobicContact SD-CG2 4.13Å; G85-V87 VanDerWaalsContact C-N 3.27Å; G85-V87 PolarHBondContact O-N 2.99Å; V87-I90 HydrophobicContact CG2-CD1 4.1Å; V87-F163 WeakPolarHBondContact O-CD1 3.17Å; V87-F163 WeakPolarHBondContact O-CE1 3.31Å
88V98.3Very high96.6Very high1 Ų142.6 Ų42.61%0.00620%0.204CC..  trans-73.7161.6171.9-53.20000110.8H58 Y59 F163 H167H58-V88 HydrophobicContact CB-CG1 3.93Å; H58-V88 PolarHBondContact O-N 2.59Å; Y59-V88 HydrophobicContact CD1-CB 4.46Å; Y59-V88 HydrophobicContact CD1-CG1 4.03Å; Y59-V88 HydrophobicContact CD1-CG2 3.59Å; Y59-V88 HydrophobicContact CE1-CB 4.29Å; Y59-V88 HydrophobicContact CE1-CG1 3.67Å; Y59-V88 HydrophobicContact CE1-CG2 3.8Å; Y59-V88 HydrophobicContact CE2-CG1 4.44Å; Y59-V88 HydrophobicContact CG-CG2 4.46Å; V88-F163 HydrophobicContact CG1-CD2 4.05Å; V88-F163 HydrophobicContact CG1-CE2 4.34Å; V88-F163 HydrophobicContact CG1-CG 4.2Å; V88-H167 WeakPolarHBondContact CG2-CE1 3.24Å; V88-H167 WeakPolarHBondContact CG2-ND1 3.48Å
89Y98.7Very high96.5Very high11 Ų1138.7 Ų38.74%0.04319%0.192CC..  trans-52.5138.7178.8169.4-101000112.4N91 Y102 F163 G166 H167 T186 D190 Y191Y89-N91 HydrophobicContact CE1-CB 3.93Å; Y89-N91 WeakPolarHBondContact OH-CB 3.34Å; Y89-Y102 HydrophobicContact CD2-CD1 4.33Å; Y89-Y102 HydrophobicContact CD2-CD2 4.3Å; Y89-Y102 HydrophobicContact CD2-CE1 4.01Å; Y89-Y102 AromaticContact CD2-CE2 3.98Å; Y89-Y102 HydrophobicContact CD2-CE2 3.98Å; Y89-Y102 HydrophobicContact CD2-CG 4.47Å; Y89-Y102 AromaticContact CD2-CZ 3.84Å; Y89-Y102 AromaticContact CE2-CD2 3.99Å; Y89-Y102 HydrophobicContact CE2-CD2 3.99Å; Y89-Y102 AromaticContact CE2-CE2 3.67Å; Y89-Y102 HydrophobicContact CE2-CE2 3.67Å; Y89-Y102 AromaticContact CE2-CZ 3.99Å; Y89-F163 VanDerWaalsContact CB-O 3.31Å; Y89-F163 WeakPolarHBondContact CB-O 3.46Å; Y89-F163 PolarHBondContact N-O 2.79Å; Y89-G166 VanDerWaalsContact O-CA 3.32Å; Y89-G166 WeakPolarHBondContact O-CA 3.34Å; Y89-H167 PolarHBondContact O-CE1 3.31Å; Y89-H167 PolarHBondContact O-ND1 3.17Å; Y89-H167 VanDerWaalsContact O-ND1 3.09Å; Y89-T186 HydrophobicContact CD1-CG2 3.75Å; Y89-T186 HydrophobicContact CD2-CG2 3.85Å; Y89-T186 HydrophobicContact CE1-CG2 3.85Å; Y89-T186 HydrophobicContact CE2-CG2 3.95Å; Y89-T186 HydrophobicContact CG-CG2 3.76Å; Y89-D190 HydrophobicContact CE2-CB 3.81Å; Y89-D190 PolarHBondContact OH-OD2 2.8Å; Y89-Y191 AromaticContact CD2-CE2 3.95Å; Y89-Y191 HydrophobicContact CD2-CE2 3.95Å
90I98.3Very high96.6Very high2 Ų237 Ų371%0.0119%0.186CC..  trans-125.7125.3176.7-60.1167.1000107.6M60 Q65 F68 V87 F92 L95 Y102 H167M60-I90 HydrophobicContact SD-CD1 3.81Å; Q65-I90 HydrophobicContact CG-CD1 4.29Å; Q65-I90 HydrophobicContact CG-CG1 4.38Å; Q65-I90 HydrophobicContact CG-CG2 4.44Å; F68-I90 HydrophobicContact CD1-CD1 3.68Å; F68-I90 HydrophobicContact CE1-CD1 4.01Å; V87-I90 HydrophobicContact CG2-CD1 4.1Å; I90-F92 HydrophobicContact CB-CD2 4.01Å; I90-F92 HydrophobicContact CB-CE2 3.87Å; I90-F92 HydrophobicContact CG2-CD2 3.71Å; I90-F92 HydrophobicContact CG2-CE2 3.86Å; I90-F92 WeakPolarHBondContact O-CD2 3.49Å; I90-F92 PolarHBondContact O-N 2.98Å; I90-L95 HydrophobicContact CG2-CD1 3.57Å; I90-Y102 PolarHBondContact N-OH 2.98Å; I90-Y102 PolarHBondContact O-OH 2.98Å; I90-H167 WeakPolarHBondContact CG1-CE1 3.34Å
91N97.2Very high96.7Very high58 Ų5837.7 Ų37.731%0.3119%0.188SC..  trans-82.4101171.2-176.2-20.1000109.4Y89 K93 R94Y89-N91 HydrophobicContact CE1-CB 3.93Å; Y89-N91 WeakPolarHBondContact OH-CB 3.34Å; N91-K93 VanDerWaalsContact C-N 3.3Å; N91-K93 PolarHBondContact O-N 2.71Å; N91-K93 WeakPolarHBondContact OD1-CB 3.4Å; N91-K93 PolarHBondContact OD1-N 2.7Å; N91-K93 VanDerWaalsContact OD1-N 3.09Å; N91-R94 HydrophobicContact CB-CB 4.22Å; N91-R94 PolarHBondContact O-N 3.34Å; N91-R94 PolarHBondContact OD1-N 3.35Å
92F97.3Very high96.7Very high0 Ų037.7 Ų37.70%019%0.188CC..SBendtrans-69.4-30.7-178.3-74-149.8000111.4L21 F68 A69 I72 I90 R94 L95 G96 A97 K98 N99 P100 Y102L21-F92 HydrophobicContact CD2-CE2 4.33Å; L21-F92 HydrophobicContact CD2-CZ 4.25Å; F68-F92 HydrophobicContact CD1-CE2 4.25Å; F68-F92 AromaticContact CD1-CZ 3.94Å; F68-F92 HydrophobicContact CD1-CZ 3.94Å; F68-F92 HydrophobicContact CE1-CE2 4.34Å; F68-F92 AromaticContact CE1-CZ 3.97Å; F68-F92 HydrophobicContact CE1-CZ 3.97Å; A69-F92 HydrophobicContact CB-CB 4.3Å; A69-F92 HydrophobicContact CB-CD1 3.72Å; A69-F92 HydrophobicContact CB-CD2 4.06Å; A69-F92 HydrophobicContact CB-CE1 4.01Å; A69-F92 HydrophobicContact CB-CE2 4.3Å; A69-F92 HydrophobicContact CB-CG 3.75Å; A69-F92 HydrophobicContact CB-CZ 4.27Å; I72-F92 HydrophobicContact CB-CE1 3.89Å; I72-F92 HydrophobicContact CB-CZ 4.36Å; I72-F92 HydrophobicContact CD1-CZ 4.25Å; I72-F92 HydrophobicContact CG2-CE1 3.84Å; I72-F92 HydrophobicContact CG2-CZ 4.37Å; I90-F92 HydrophobicContact CB-CD2 4.01Å; I90-F92 HydrophobicContact CB-CE2 3.87Å; I90-F92 HydrophobicContact CG2-CD2 3.71Å; I90-F92 HydrophobicContact CG2-CE2 3.86Å; I90-F92 WeakPolarHBondContact O-CD2 3.49Å; I90-F92 PolarHBondContact O-N 2.98Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 3.43Å; F92-L95 CarbonylContact O-C 3.59Å; F92-L95 WeakPolarHBondContact O-CA 3.44Å; F92-L95 WeakPolarHBondContact O-CB 3.23Å; F92-L95 PolarHBondContact O-N 3.48Å; F92-G96 PolarHBondContact O-N 3.49Å; F92-A97 CarbonylContact C-O 3.59Å; F92-A97 HydrophobicContact CB-CB 3.89Å; F92-A97 HydrophobicContact CD1-CB 4.19Å; F92-A97 HydrophobicContact CG-CB 4.43Å; F92-A97 PolarHBondContact O-N 3.4Å; F92-A97 VanDerWaalsContact O-O 3.07Å; F92-K98 WeakPolarHBondContact CD1-O 3.39Å; F92-N99 WeakPolarHBondContact CA-OD1 3.4Å; F92-N99 VanDerWaalsContact CB-OD1 3.3Å; F92-N99 WeakPolarHBondContact CB-OD1 3.07Å; F92-N99 PolarHBondContact N-OD1 3.32Å; F92-P100 HydrophobicContact CE1-CG 4.29Å; F92-P100 HydrophobicContact CZ-CG 4.26Å; F92-Y102 WeakPolarHBondContact CE2-OH 3.43Å
93K95.8Very high96.7Very high146 Ų14637.7 Ų37.764%0.63519%0.188SC*.G310 helixtrans-58.5-41.8176.7-63176.7-179.2173.40111.3N91 L95 G96 A97 N99N91-K93 VanDerWaalsContact C-N 3.3Å; N91-K93 PolarHBondContact O-N 2.71Å; N91-K93 WeakPolarHBondContact OD1-CB 3.4Å; N91-K93 PolarHBondContact OD1-N 2.7Å; N91-K93 VanDerWaalsContact OD1-N 3.09Å; K93-L95 PolarHBondContact O-N 2.73Å; K93-L95 VanDerWaalsContact O-N 3.15Å; K93-G96 PolarHBondContact O-N 2.99Å; K93-G96 VanDerWaalsContact O-N 3.11Å; K93-A97 VanDerWaalsContact CA-O 3.31Å; K93-A97 WeakPolarHBondContact CA-O 3.36Å; K93-A97 PolarHBondContact N-O 3.26Å; K93-N99 PolarHBondContact N-OD1 3.21Å
94R95.7Very high96.7Very high165 Ų16537.3 Ų37.362%0.62319%0.187SC*.G310 helixtrans-60.5-22.4174.4176.3178.3153.7-124-6.5112.8N91 F92N91-R94 HydrophobicContact CB-CB 4.22Å; N91-R94 PolarHBondContact O-N 3.34Å; N91-R94 PolarHBondContact OD1-N 3.35Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 3.43Å
95L96.6Very high96.8Very high15 Ų1537.1 Ų37.18%0.07919%0.186CC..G310 helixtrans-101.512.8-178.5-56.6173.5000112.7L62 Q65 L66 A69 Q70 I90 F92 K93 A97L62-L95 HydrophobicContact CD1-CD2 4.11Å; Q65-L95 HydrophobicContact CB-CD1 3.86Å; L66-L95 HydrophobicContact CD2-CB 4.1Å; L66-L95 HydrophobicContact CD2-CD2 3.82Å; L66-L95 HydrophobicContact CG-CD2 4.15Å; A69-L95 HydrophobicContact CB-CB 4.16Å; A69-L95 HydrophobicContact CB-CD1 3.77Å; Q70-L95 PolarHBondContact NE2-O 3.34Å; I90-L95 HydrophobicContact CG2-CD1 3.57Å; F92-L95 CarbonylContact O-C 3.59Å; F92-L95 WeakPolarHBondContact O-CA 3.44Å; F92-L95 WeakPolarHBondContact O-CB 3.23Å; F92-L95 PolarHBondContact O-N 3.48Å; K93-L95 PolarHBondContact O-N 2.73Å; K93-L95 VanDerWaalsContact O-N 3.15Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 2.9Å
96G95.1Very high96.8Very high66 Ų6637.1 Ų37.168%0.6819%0.186SC*.THydrogen-bonded Turntrans7026.4-178.500000113.7Q70 F92 K93Q70-G96 PolarHBondContact NE2-O 3.46Å; F92-G96 PolarHBondContact O-N 3.49Å; K93-G96 PolarHBondContact O-N 2.99Å; K93-G96 VanDerWaalsContact O-N 3.11Å
97A95.2Very high96.9Very high11 Ų1135.9 Ų35.99%0.09118%0.178CC..SBendtrans-127.4157.3-176.500000111.6A69 S73 F92 K93 L95A69-A97 HydrophobicContact CB-CB 3.89Å; S73-A97 WeakPolarHBondContact OG-CB 3.23Å; F92-A97 CarbonylContact C-O 3.59Å; F92-A97 HydrophobicContact CB-CB 3.89Å; F92-A97 HydrophobicContact CD1-CB 4.19Å; F92-A97 HydrophobicContact CG-CB 4.43Å; F92-A97 PolarHBondContact O-N 3.4Å; F92-A97 VanDerWaalsContact O-O 3.07Å; K93-A97 VanDerWaalsContact CA-O 3.31Å; K93-A97 WeakPolarHBondContact CA-O 3.36Å; K93-A97 PolarHBondContact N-O 3.26Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 2.9Å
98K90.7Very high96.9Very high165 Ų16537.3 Ų37.372%0.71719%0.186SC*.PPolyproline II helixtrans-76.4129.8178.3-175.7179.6177-1790109.5S73 F92S73-K98 PolarHBondContact OG-O 2.86Å; F92-K98 WeakPolarHBondContact CD1-O 3.39Å
99N92.6Very high96.9Very high29 Ų2937.3 Ų37.316%0.15519%0.186CC..PPolyproline II helixtrans-60135.1173.3-83.9-0.2000110.5F92 K93F92-N99 WeakPolarHBondContact CA-OD1 3.4Å; F92-N99 VanDerWaalsContact CB-OD1 3.3Å; F92-N99 WeakPolarHBondContact CB-OD1 3.07Å; F92-N99 PolarHBondContact N-OD1 3.32Å; K93-N99 PolarHBondContact N-OD1 3.21Å
100P96.7Very high96.9Very high12 Ų1237 Ų378%0.07819%0.185CC..PPolyproline II helixtrans-70.7171.7164.233.8-34.9000109.7V19 L21 F92 Y102V19-P100 HydrophobicContact CB-CB 4.24Å; V19-P100 HydrophobicContact CG1-CB 3.77Å; L21-P100 HydrophobicContact CB-CB 3.87Å; L21-P100 HydrophobicContact CB-CG 3.61Å; L21-P100 HydrophobicContact CD2-CG 3.83Å; L21-P100 HydrophobicContact CG-CG 4.38Å; F92-P100 HydrophobicContact CE1-CG 4.29Å; F92-P100 HydrophobicContact CZ-CG 4.26Å; P100-Y102 HydrophobicContact CG-CD2 4.15Å; P100-Y102 HydrophobicContact CG-CE2 3.72Å; P100-Y102 PolarHBondContact O-N 3.42Å
101I97.7Very high96.8Very high30 Ų3039.8 Ų39.815%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-77.1108168.6-53.8171.3000107.7W13 T18 V19 V20 L21 L192 L211W13-I101 HydrophobicContact CH2-CD1 3.73Å; W13-I101 HydrophobicContact CZ2-CD1 3.34Å; W13-I101 HydrophobicContact CZ2-CG1 4.33Å; T18-I101 HydrophobicContact CG2-CD1 3.79Å; V19-I101 PolarHBondContact O-N 3.05Å; V20-I101 CarbonylContact C-O 3.37Å; V20-I101 WeakPolarHBondContact CA-O 3.3Å; V20-I101 HydrophobicContact CG2-CB 4.33Å; V20-I101 HydrophobicContact CG2-CD1 4.33Å; L21-I101 PolarHBondContact N-O 3.37Å; I101-L192 HydrophobicContact CG2-CB 3.56Å; I101-L192 HydrophobicContact CG2-CD2 3.56Å; I101-L192 HydrophobicContact CG2-CG 4.17Å; I101-L211 HydrophobicContact CD1-CD1 4.23Å; I101-L211 HydrophobicContact CD1-CD2 4Å; I101-L211 HydrophobicContact CG2-CD1 4.24Å
102Y98.7Very high96.8Very high1 Ų137.2 Ų37.20%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-79.2136.6175.6-81.8-83.2000111.4L21 N23 Y89 I90 F92 P100 Y191 L192L21-Y102 HydrophobicContact CB-CD1 4.26Å; L21-Y102 HydrophobicContact CB-CE1 4.15Å; L21-Y102 HydrophobicContact CD2-CD1 4.29Å; L21-Y102 HydrophobicContact CD2-CE1 3.39Å; L21-Y102 VanDerWaalsContact CD2-OH 3.31Å; L21-Y102 WeakPolarHBondContact CD2-OH 3.46Å; L21-Y102 HydrophobicContact CG-CD1 4.13Å; L21-Y102 HydrophobicContact CG-CE1 3.67Å; L21-Y102 WeakPolarHBondContact O-CA 3.5Å; N23-Y102 HydrophobicContact CB-CE1 4.37Å; Y89-Y102 HydrophobicContact CD2-CD1 4.33Å; Y89-Y102 HydrophobicContact CD2-CD2 4.3Å; Y89-Y102 HydrophobicContact CD2-CE1 4.01Å; Y89-Y102 AromaticContact CD2-CE2 3.98Å; Y89-Y102 HydrophobicContact CD2-CE2 3.98Å; Y89-Y102 HydrophobicContact CD2-CG 4.47Å; Y89-Y102 AromaticContact CD2-CZ 3.84Å; Y89-Y102 AromaticContact CE2-CD2 3.99Å; Y89-Y102 HydrophobicContact CE2-CD2 3.99Å; Y89-Y102 AromaticContact CE2-CE2 3.67Å; Y89-Y102 HydrophobicContact CE2-CE2 3.67Å; Y89-Y102 AromaticContact CE2-CZ 3.99Å; I90-Y102 PolarHBondContact N-OH 2.98Å; I90-Y102 PolarHBondContact O-OH 2.98Å; F92-Y102 WeakPolarHBondContact CE2-OH 3.43Å; P100-Y102 HydrophobicContact CG-CD2 4.15Å; P100-Y102 HydrophobicContact CG-CE2 3.72Å; P100-Y102 PolarHBondContact O-N 3.42Å; Y102-Y191 HydrophobicContact CD1-CE1 4.1Å; Y102-Y191 HydrophobicContact CG-CE1 4.33Å; Y102-Y191 HydrophobicContact CG-CE2 4.48Å; Y102-Y191 WeakPolarHBondContact O-CA 3.09Å; Y102-L192 PolarHBondContact O-N 3.34Å
103I98.8Very high96.8Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-133.1153.1169.361.8171.1000109.1V20 L21 Y22 F33 L192 L193 F203 L207 F215V20-I103 HydrophobicContact CG1-CD1 3.65Å; V20-I103 HydrophobicContact CG1-CG1 3.77Å; V20-I103 HydrophobicContact CG1-CG2 4.27Å; L21-I103 PolarHBondContact O-N 2.82Å; Y22-I103 HydrophobicContact CD2-CG1 4.41Å; Y22-I103 WeakPolarHBondContact CD2-O 3.06Å; Y22-I103 HydrophobicContact CG-CG1 4.31Å; F33-I103 HydrophobicContact CE1-CD1 3.96Å; F33-I103 HydrophobicContact CZ-CD1 3.89Å; I103-L192 HydrophobicContact CG2-CB 4.44Å; I103-L193 CarbonylContact C-O 3.55Å; I103-L193 VanDerWaalsContact CA-O 3.31Å; I103-L193 WeakPolarHBondContact CA-O 3.21Å; I103-F203 HydrophobicContact CB-CZ 4.32Å; I103-F203 HydrophobicContact CD1-CZ 4.46Å; I103-L207 HydrophobicContact CD1-CD1 4.01Å; I103-L207 HydrophobicContact CG2-CD2 3.93Å; I103-F215 HydrophobicContact CD1-CZ 4.16Å
104N98.8Very high96.9Very high0 Ų030.4 Ų30.40%015%0.154CC..EExtended strand (participates in β ladder)trans-151.8170.1171.8-134.9-61.4000113.9Y22 N23 F164 Y191 L193 V194 G195 F203Y22-N104 HydrophobicContact CE2-CB 4.44Å; N23-N104 VanDerWaalsContact CG-ND2 3.31Å; N23-N104 PolarHBondContact ND2-ND2 3.2Å; N23-N104 PolarHBondContact O-ND2 3.28Å; N23-N104 PolarHBondContact OD1-ND2 3.46Å; N104-F164 HydrophobicContact CB-CE1 4.31Å; N104-F164 HydrophobicContact CB-CE2 4.48Å; N104-F164 HydrophobicContact CB-CZ 3.67Å; N104-Y191 HydrophobicContact CB-CD1 4.03Å; N104-Y191 HydrophobicContact CB-CE1 3.71Å; N104-L193 PolarHBondContact N-O 2.85Å; N104-V194 HydrophobicContact CB-CG1 4.39Å; N104-V194 HydrophobicContact CB-CG2 4.25Å; N104-V194 CarbonylContact O-C 3.5Å; N104-V194 VanDerWaalsContact O-CA 3.31Å; N104-V194 WeakPolarHBondContact O-CA 3.43Å; N104-G195 PolarHBondContact O-N 3.45Å; N104-F203 WeakPolarHBondContact O-CE2 3.31Å; N104-F203 WeakPolarHBondContact O-CZ 3.33Å
105V98.8Very high96.9Very high0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-133.6124.4169.8-178.30000107.8T28 G195 L200 F203T28-V105 WeakPolarHBondContact CB-O 3.22Å; T28-V105 WeakPolarHBondContact O-CG1 3.34Å; T28-V105 PolarHBondContact OG1-O 2.62Å; V105-G195 WeakPolarHBondContact CA-O 3.23Å; V105-L200 HydrophobicContact CG1-CD1 4.37Å; V105-L200 HydrophobicContact CG2-CD1 4.02Å; V105-F203 HydrophobicContact CG2-CD1 3.72Å; V105-F203 HydrophobicContact CG2-CD2 4.32Å; V105-F203 HydrophobicContact CG2-CE1 3.49Å; V105-F203 VanDerWaalsContact CG2-CE1 3.49Å; V105-F203 HydrophobicContact CG2-CE2 4.12Å; V105-F203 HydrophobicContact CG2-CG 4.12Å; V105-F203 HydrophobicContact CG2-CZ 3.7Å
106V98.8Very high96.9Very high0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-100.6171174.6-62.90000110.9I25 F164 V194 G195 I196 T197 F259 Y260 A263I25-V106 HydrophobicContact CD1-CG1 4.02Å; V106-F164 HydrophobicContact CG1-CE2 3.68Å; V106-F164 HydrophobicContact CG1-CZ 4.1Å; V106-V194 HydrophobicContact CG1-CG1 3.96Å; V106-V194 HydrophobicContact CG2-CG1 4.3Å; V106-G195 WeakPolarHBondContact CG2-O 3.18Å; V106-G195 PolarHBondContact N-O 3.28Å; V106-I196 HydrophobicContact CG2-CG2 4.04Å; V106-I196 CarbonylContact O-C 3.39Å; V106-I196 WeakPolarHBondContact O-CA 3.48Å; V106-T197 PolarHBondContact O-N 2.83Å; V106-T197 PolarHBondContact O-OG1 2.83Å; V106-F259 HydrophobicContact CG1-CE1 4.14Å; V106-Y260 HydrophobicContact CB-CD2 4.41Å; V106-Y260 HydrophobicContact CG2-CD2 3.83Å; V106-Y260 HydrophobicContact CG2-CE2 4.3Å; V106-A263 HydrophobicContact CG2-CB 3.82Å
107R98.1Very high97Very high39 Ų3923.6 Ų23.615%0.14711%0.109CC..  trans-143.1159177.3-168172-177.3173.32.9110.1K27 T28 P109 R112 Q160 T197 Y260K27-R107 VanDerWaalsContact O-CD 3.25Å; K27-R107 WeakPolarHBondContact O-CD 3.43Å; K27-R107 PolarHBondContact O-NH1 3.4Å; T28-R107 HydrophobicContact CG2-CB 3.85Å; R107-P109 VanDerWaalsContact O-N 3.16Å; R107-R112 HydrophobicContact CB-CB 4.32Å; R107-R112 HydrophobicContact CG-CB 4.49Å; R107-Q160 PolarHBondContact O-NE2 2.89Å; R107-Q160 PolarHBondContact O-OE1 2.93Å; R107-T197 WeakPolarHBondContact CB-OG1 3.47Å; R107-T197 HydrophobicContact CG-CG2 4.45Å; R107-Y260 WeakPolarHBondContact O-CD2 3.42Å
108D98.3Very high97Very high33 Ų3323.1 Ų23.118%0.17610%0.104CC..  trans-46.5125163.1175.7-76000109.6L110 E111 R112 Q257 Y260D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.32Å; D108-L110 WeakPolarHBondContact OD1-CA 3.38Å; D108-L110 PolarHBondContact OD1-N 3.2Å; D108-E111 HydrophobicContact CB-CB 4.09Å; D108-E111 HydrophobicContact CB-CG 4.32Å; D108-E111 PolarHBondContact O-N 3.1Å; D108-E111 PolarHBondContact OD1-N 2.73Å; D108-R112 VanDerWaalsContact O-CB 3.28Å; D108-R112 WeakPolarHBondContact O-CB 3.46Å; D108-R112 PolarHBondContact O-N 2.81Å; D108-Q257 PolarHBondContact OD2-OE1 3.27Å; D108-Y260 VanDerWaalsContact N-CE2 3.3Å
109P98.3Very high97.2Very high0 Ų016.8 Ų16.80%08%0.077CC..Hα-helixtrans-66.3-31.8-169.426.3-35.4000112.7R107 L113 L157 E256 Q257R107-P109 VanDerWaalsContact O-N 3.16Å; P109-L113 PolarHBondContact O-N 2.83Å; P109-L157 HydrophobicContact CB-CD2 4.36Å; P109-L157 WeakPolarHBondContact O-CD2 3.42Å; P109-E256 HydrophobicContact CB-CB 3.71Å; P109-E256 HydrophobicContact CG-CB 3.95Å; P109-Q257 HydrophobicContact CG-CB 4.46Å
110L97.1Very high97.3Very high4 Ų416.6 Ų16.62%0.0218%0.076CC..Hα-helixtrans-77.7-45.5-179.7-174.353000110.6D108 R112 L113 I114 L157 L244 M247D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.32Å; D108-L110 WeakPolarHBondContact OD1-CA 3.38Å; D108-L110 PolarHBondContact OD1-N 3.2Å; L110-R112 PolarHBondContact O-N 2.87Å; L110-L113 PolarHBondContact O-N 3.28Å; L110-L113 VanDerWaalsContact O-N 3.14Å; L110-I114 HydrophobicContact CD1-CD1 4.06Å; L110-I114 HydrophobicContact CD1-CG1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.81Å; L110-I114 WeakPolarHBondContact O-CB 3.35Å; L110-I114 WeakPolarHBondContact O-CD1 3.44Å; L110-I114 VanDerWaalsContact O-CG1 3.22Å; L110-I114 WeakPolarHBondContact O-CG1 3.42Å; L110-I114 PolarHBondContact O-N 2.99Å; L110-L157 HydrophobicContact CD1-CD2 4.39Å; L110-L244 HydrophobicContact CD2-CD2 3.56Å; L110-L244 HydrophobicContact CG-CD2 4.3Å; L110-M247 HydrophobicContact CD1-CB 4.08Å; L110-M247 HydrophobicContact CD1-CE 3.98Å; L110-M247 HydrophobicContact CD1-CG 4.22Å; L110-M247 HydrophobicContact CD2-CB 4.13Å
111E96.9Very high97.2Very high62 Ų6216.3 Ų16.329%0.297%0.073SC..Hα-helixtrans-58.5-36.6172-78.5-60.5132.400112.1D108 S115 K236D108-E111 HydrophobicContact CB-CB 4.09Å; D108-E111 HydrophobicContact CB-CG 4.32Å; D108-E111 PolarHBondContact O-N 3.1Å; D108-E111 PolarHBondContact OD1-N 2.73Å; E111-S115 WeakPolarHBondContact O-CB 3.31Å; E111-S115 PolarHBondContact O-N 3.24Å; E111-K236 IonicContact OE2-NZ 3.26Å; E111-K236 PolarHBondContact OE2-NZ 2.81Å
112R97Very high97Very high4 Ų417.3 Ų17.32%0.0158%0.076CC..Hα-helixtrans-62.6-49.4174-174.3-172.757.367.3-1.2111.3P26 K27 R107 D108 L110 S115 Y116 L157P26-R112 WeakPolarHBondContact O-CD 3.49Å; P26-R112 WeakPolarHBondContact O-CG 3.36Å; K27-R112 HydrophobicContact CB-CG 3.89Å; R107-R112 HydrophobicContact CB-CB 4.32Å; R107-R112 HydrophobicContact CG-CB 4.49Å; D108-R112 VanDerWaalsContact O-CB 3.28Å; D108-R112 WeakPolarHBondContact O-CB 3.46Å; D108-R112 PolarHBondContact O-N 2.81Å; L110-R112 PolarHBondContact O-N 2.87Å; R112-S115 PolarHBondContact O-N 3.38Å; R112-Y116 PolarHBondContact O-N 3.48Å; R112-L157 PolarHBondContact NH2-O 3.01Å
113L97.4Very high96.7Very high1 Ų117.3 Ų17.31%0.0058%0.076CC..Hα-helixtrans-63.8-45.6179.2177.158.7000111.6P109 L110 S115 Y116 Y117 F141 N156 L157 M247P109-L113 PolarHBondContact O-N 2.83Å; L110-L113 PolarHBondContact O-N 3.28Å; L110-L113 VanDerWaalsContact O-N 3.14Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.11Å; L113-Y116 WeakPolarHBondContact O-CB 3.43Å; L113-Y116 PolarHBondContact O-N 3.18Å; L113-Y116 VanDerWaalsContact O-N 3.12Å; L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 3.48Å; L113-F141 HydrophobicContact CD2-CZ 4.18Å; L113-F141 HydrophobicContact CG-CE2 4.26Å; L113-F141 HydrophobicContact CG-CZ 4.33Å; L113-N156 HydrophobicContact CD1-CB 3.65Å; L113-N156 HydrophobicContact CD2-CB 4.46Å; L113-L157 HydrophobicContact CB-CD2 3.79Å; L113-L157 HydrophobicContact CD2-CD2 3.58Å; L113-L157 HydrophobicContact CD2-CG 3.82Å; L113-L157 HydrophobicContact CG-CD2 4.33Å; L113-M247 HydrophobicContact CD2-CE 3.81Å
114I97.2Very high96.2Very high1 Ų117.7 Ų17.71%0.0058%0.078CC..Hα-helixtrans-59.6-46.7176.4-65.8160.7000109.9L110 Y116 Y117 Y118 F141 K236 P239 L244L110-I114 HydrophobicContact CD1-CD1 4.06Å; L110-I114 HydrophobicContact CD1-CG1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.81Å; L110-I114 WeakPolarHBondContact O-CB 3.35Å; L110-I114 WeakPolarHBondContact O-CD1 3.44Å; L110-I114 VanDerWaalsContact O-CG1 3.22Å; L110-I114 WeakPolarHBondContact O-CG1 3.42Å; L110-I114 PolarHBondContact O-N 2.99Å; I114-Y116 VanDerWaalsContact C-N 3.28Å; I114-Y116 PolarHBondContact O-N 3.12Å; I114-Y117 WeakPolarHBondContact O-CB 3.29Å; I114-Y117 PolarHBondContact O-N 2.9Å; I114-Y118 HydrophobicContact CG2-CD2 3.73Å; I114-Y118 HydrophobicContact CG2-CE2 3.77Å; I114-Y118 VanDerWaalsContact O-CD2 3.29Å; I114-Y118 WeakPolarHBondContact O-CD2 3.3Å; I114-Y118 PolarHBondContact O-N 3.33Å; I114-Y118 VanDerWaalsContact O-N 3.09Å; I114-F141 HydrophobicContact CG1-CD1 4.25Å; I114-F141 HydrophobicContact CG1-CD2 4.4Å; I114-F141 HydrophobicContact CG1-CE1 4.19Å; I114-F141 HydrophobicContact CG1-CE2 4.34Å; I114-F141 HydrophobicContact CG1-CG 4.36Å; I114-F141 HydrophobicContact CG1-CZ 4.23Å; I114-K236 HydrophobicContact CG2-CD 4.13Å; I114-K236 HydrophobicContact CG2-CG 4.14Å; I114-P239 HydrophobicContact CD1-CG 3.53Å; I114-P239 HydrophobicContact CG1-CG 4.04Å; I114-L244 HydrophobicContact CD1-CD2 4.47Å
115S96.1Very high95.6Very high6 Ų620.8 Ų20.84%0.0429%0.094CC..Hα-helixtrans-60.7-37.2176.5-175.20000112.2K27 E111 R112 L113 F119 T233K27-S115 WeakPolarHBondContact CE-OG 3.37Å; K27-S115 PolarHBondContact NZ-OG 2.71Å; E111-S115 WeakPolarHBondContact O-CB 3.31Å; E111-S115 PolarHBondContact O-N 3.24Å; R112-S115 PolarHBondContact O-N 3.38Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.11Å; S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 PolarHBondContact O-N 3.05Å; S115-T233 PolarHBondContact O-OG1 2.03Å; S115-T233 PolarHBondContact OG-OG1 3.26Å
116Y95.8Very high94.8Very high96 Ų9626.5 Ų26.538%0.37612%0.12SC..Hα-helixtrans-66.8-46.4174.9-172.4-121000112.1K27 R112 L113 I114 Y118 F119 L120K27-Y116 HydrophobicContact CD-CD2 4.37Å; K27-Y116 HydrophobicContact CG-CD2 3.94Å; K27-Y116 HydrophobicContact CG-CG 4.36Å; R112-Y116 PolarHBondContact O-N 3.48Å; L113-Y116 WeakPolarHBondContact O-CB 3.43Å; L113-Y116 PolarHBondContact O-N 3.18Å; L113-Y116 VanDerWaalsContact O-N 3.12Å; I114-Y116 VanDerWaalsContact C-N 3.28Å; I114-Y116 PolarHBondContact O-N 3.12Å; Y116-Y118 PolarHBondContact O-N 3.3Å; Y116-F119 PolarHBondContact O-N 2.91Å; Y116-L120 HydrophobicContact CD1-CD1 4.2Å; Y116-L120 HydrophobicContact CD2-CG 4.44Å; Y116-L120 HydrophobicContact CE1-CD1 3.67Å; Y116-L120 HydrophobicContact CE1-CG 4.33Å; Y116-L120 HydrophobicContact CE2-CD1 4.26Å; Y116-L120 HydrophobicContact CE2-CD2 3.98Å; Y116-L120 HydrophobicContact CE2-CG 4.08Å; Y116-L120 WeakPolarHBondContact O-CG 3.31Å; Y116-L120 PolarHBondContact O-N 3.46Å
117Y97.3Very high94.1Very high1 Ų131.7 Ų31.70%0.00414%0.139CC..Hα-helixtrans-54.8-49.1179.7176.6-90.7000112.2L113 I114 R121 E139 T140 F141 C144 D151 C152L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 3.48Å; I114-Y117 WeakPolarHBondContact O-CB 3.29Å; I114-Y117 PolarHBondContact O-N 2.9Å; Y117-R121 VanDerWaalsContact CD2-NH1 3.32Å; Y117-R121 PolarHBondContact O-NH1 3.12Å; Y117-R121 PolarHBondContact OH-NE 3.46Å; Y117-R121 PolarHBondContact OH-NH2 3.25Å; Y117-E139 VanDerWaalsContact CE1-O 3.29Å; Y117-E139 WeakPolarHBondContact CE1-O 3.39Å; Y117-E139 PolarHBondContact OH-O 3.29Å; Y117-T140 PolarHBondContact OH-O 2.89Å; Y117-T140 VanDerWaalsContact OH-O 3.12Å; Y117-F141 HydrophobicContact CD1-CB 4.24Å; Y117-F141 AromaticContact CD1-CD2 3.81Å; Y117-F141 HydrophobicContact CD1-CD2 3.81Å; Y117-F141 AromaticContact CD2-CD2 3.88Å; Y117-F141 HydrophobicContact CD2-CD2 3.88Å; Y117-F141 HydrophobicContact CD2-CE2 4.27Å; Y117-F141 HydrophobicContact CE1-CB 4.2Å; Y117-F141 HydrophobicContact CE1-CD2 4.3Å; Y117-F141 HydrophobicContact CE2-CD2 4.34Å; Y117-F141 AromaticContact CG-CD2 3.59Å; Y117-F141 HydrophobicContact CG-CD2 3.59Å; Y117-F141 HydrophobicContact CG-CE2 4.18Å; Y117-C144 HydrophobicContact CE2-CB 3.72Å; Y117-C144 WeakPolarHBondContact OH-CB 3.4Å; Y117-D151 WeakPolarHBondContact CE2-OD2 3.47Å; Y117-C152 HydrophobicContact CD2-CB 4.17Å; Y117-C152 HydrophobicContact CE2-CB 4.14Å
118Y97.2Very high93.3Very high1 Ų133 Ų330%0.00415%0.153CC..Hα-helixtrans-74.8-33.4177.9-74.5-73.5000112.5I114 Y116 L120 R121 Y122 F141 T233 K236 V237I114-Y118 HydrophobicContact CG2-CD2 3.73Å; I114-Y118 HydrophobicContact CG2-CE2 3.77Å; I114-Y118 VanDerWaalsContact O-CD2 3.29Å; I114-Y118 WeakPolarHBondContact O-CD2 3.3Å; I114-Y118 PolarHBondContact O-N 3.33Å; I114-Y118 VanDerWaalsContact O-N 3.09Å; Y116-Y118 PolarHBondContact O-N 3.3Å; Y118-L120 VanDerWaalsContact C-N 3.28Å; Y118-L120 PolarHBondContact O-N 3.5Å; Y118-R121 PolarHBondContact O-N 2.99Å; Y118-Y122 AromaticContact CD1-CD2 3.89Å; Y118-Y122 HydrophobicContact CD1-CD2 3.89Å; Y118-Y122 AromaticContact CD1-CE2 3.7Å; Y118-Y122 HydrophobicContact CD1-CE2 3.7Å; Y118-Y122 HydrophobicContact CE1-CE2 4.23Å; Y118-Y122 PolarHBondContact O-N 3.49Å; Y118-F141 HydrophobicContact CE2-CB 4.03Å; Y118-F141 PolarHBondContact OH-N 3.43Å; Y118-T233 VanDerWaalsContact CB-CG2 3.46Å; Y118-K236 HydrophobicContact CD2-CB 4.34Å; Y118-K236 HydrophobicContact CD2-CG 3.66Å; Y118-K236 HydrophobicContact CE2-CG 4.22Å; Y118-K236 HydrophobicContact CG-CB 4.35Å; Y118-K236 HydrophobicContact CG-CG 4.15Å; Y118-V237 HydrophobicContact CE1-CB 4.41Å; Y118-V237 HydrophobicContact CE1-CG2 4.49Å; Y118-V237 VanDerWaalsContact CE2-O 3.31Å; Y118-V237 WeakPolarHBondContact CE2-O 3.44Å; Y118-V237 PolarHBondContact OH-O 2.78Å
119F94.7Very high92.7Very high32 Ų3242 Ų4214%0.1419%0.186CC..Hα-helixtrans-62.1-36.2176.6173.2-99.4000112.4K27 S115 Y116 R121 G123 D124 T233K27-F119 HydrophobicContact CD-CB 4.43Å; K27-F119 HydrophobicContact CD-CD1 4.44Å; K27-F119 HydrophobicContact CD-CG 4.34Å; S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 PolarHBondContact O-N 3.05Å; Y116-F119 PolarHBondContact O-N 2.91Å; F119-R121 PolarHBondContact O-N 3.42Å; F119-G123 WeakPolarHBondContact CD2-O 3.31Å; F119-G123 VanDerWaalsContact O-CA 3.28Å; F119-G123 WeakPolarHBondContact O-CA 3.48Å; F119-G123 PolarHBondContact O-N 3.41Å; F119-D124 HydrophobicContact CD2-CB 4.28Å; F119-D124 HydrophobicContact CE2-CB 4.09Å; F119-T233 HydrophobicContact CB-CG2 4.15Å; F119-T233 VanDerWaalsContact N-CG2 3.33Å
120L93.9Very high92.2Very high26 Ų2646.3 Ų46.314%0.13621%0.208CC..Hα-helixtrans-68.1-18.2176-68.9-178000113.5Y116 Y118 R132 R134Y116-L120 HydrophobicContact CD1-CD1 4.2Å; Y116-L120 HydrophobicContact CD2-CG 4.44Å; Y116-L120 HydrophobicContact CE1-CD1 3.67Å; Y116-L120 HydrophobicContact CE1-CG 4.33Å; Y116-L120 HydrophobicContact CE2-CD1 4.26Å; Y116-L120 HydrophobicContact CE2-CD2 3.98Å; Y116-L120 HydrophobicContact CE2-CG 4.08Å; Y116-L120 WeakPolarHBondContact O-CG 3.31Å; Y116-L120 PolarHBondContact O-N 3.46Å; Y118-L120 VanDerWaalsContact C-N 3.28Å; Y118-L120 PolarHBondContact O-N 3.5Å; L120-R132 WeakPolarHBondContact O-CB 3.34Å; L120-R134 HydrophobicContact CB-CB 4.29Å; L120-R134 HydrophobicContact CB-CG 4.01Å; L120-R134 CarbonylContact O-C 3.52Å; L120-R134 WeakPolarHBondContact O-CA 3.41Å; L120-R134 VanDerWaalsContact O-CB 3.3Å; L120-R134 WeakPolarHBondContact O-CB 3.37Å; L120-R134 PolarHBondContact O-N 2.85Å
121R94.7Very high91.6Very high5 Ų550.3 Ų50.32%0.01924%0.237CC..Hα-helixtrans-98.6-45.5-179.4-69.2170.8170.366.12.8112.3Y117 Y118 F119 R134 N137 E139 D151Y117-R121 VanDerWaalsContact CD2-NH1 3.32Å; Y117-R121 PolarHBondContact O-NH1 3.12Å; Y117-R121 PolarHBondContact OH-NE 3.46Å; Y117-R121 PolarHBondContact OH-NH2 3.25Å; Y118-R121 PolarHBondContact O-N 2.99Å; F119-R121 PolarHBondContact O-N 3.42Å; R121-R134 HydrophobicContact CG-CB 3.77Å; R121-N137 VanDerWaalsContact CD-O 3.23Å; R121-N137 WeakPolarHBondContact CD-O 3.34Å; R121-N137 VanDerWaalsContact CG-O 3.31Å; R121-N137 WeakPolarHBondContact CG-O 3.28Å; R121-N137 PolarHBondContact NE-OD1 2.95Å; R121-N137 VanDerWaalsContact NE-OD1 3.15Å; R121-E139 PolarHBondContact NE-O 3.47Å; R121-E139 IonicContact NH2-OE2 2.85Å; R121-D151 IonicContact CZ-OD2 2.75Å; R121-D151 VanDerWaalsContact CZ-OD2 3.26Å; R121-D151 IonicContact NH1-OD2 3.73Å; R121-D151 PolarHBondContact NH1-OD2 2.81Å; R121-D151 IonicContact NH2-OD1 3.96Å; R121-D151 IonicContact NH2-OD2 2.85Å; R121-D151 PolarHBondContact NH2-OD2 3.39Å
122Y93.2Very high91.2Very high52 Ų5249 Ų4920%0.20423%0.229CC..Hα-helixtrans-117.8-14.5-169.1-56.7-61.8000114.5Y118 N138 L234 N235Y118-Y122 AromaticContact CD1-CD2 3.89Å; Y118-Y122 HydrophobicContact CD1-CD2 3.89Å; Y118-Y122 AromaticContact CD1-CE2 3.7Å; Y118-Y122 HydrophobicContact CD1-CE2 3.7Å; Y118-Y122 HydrophobicContact CE1-CE2 4.23Å; Y118-Y122 PolarHBondContact O-N 3.49Å; Y122-N138 VanDerWaalsContact CE1-OD1 3.27Å; Y122-N138 WeakPolarHBondContact CE1-OD1 3.31Å; Y122-N138 WeakPolarHBondContact OH-CA 3.49Å; Y122-N138 PolarHBondContact OH-OD1 2.55Å; Y122-L234 VanDerWaalsContact CB-O 3.25Å; Y122-L234 WeakPolarHBondContact CB-O 3.23Å; Y122-L234 WeakPolarHBondContact CD2-O 3.48Å; Y122-N235 HydrophobicContact CD1-CB 4.12Å; Y122-N235 HydrophobicContact CD2-CB 3.68Å; Y122-N235 HydrophobicContact CE1-CB 4.29Å; Y122-N235 HydrophobicContact CE2-CB 3.85Å; Y122-N235 HydrophobicContact CG-CB 3.82Å
123G92.1Very high90.8Very high1 Ų159 Ų591%0.0127%0.267CS..  trans77.5-147.3-178.600000113.7F119 L234F119-G123 WeakPolarHBondContact CD2-O 3.31Å; F119-G123 VanDerWaalsContact O-CA 3.28Å; F119-G123 WeakPolarHBondContact O-CA 3.48Å; F119-G123 PolarHBondContact O-N 3.41Å; G123-L234 PolarHBondContact O-N 3.48Å
124D89.9Confident90.6Very high7 Ų763.8 Ų63.84%0.03729%0.285CS..BIsolated β-bridgetrans-131.9158.9-178.654.99.2000110.8F119 F126 R127 R132 R231 K232F119-D124 HydrophobicContact CD2-CB 4.28Å; F119-D124 HydrophobicContact CE2-CB 4.09Å; D124-F126 PolarHBondContact O-N 2.91Å; D124-R127 PolarHBondContact OD1-N 3.2Å; D124-R132 IonicContact OD1-NH2 2.58Å; D124-R132 PolarHBondContact OD1-NH2 2.83Å; D124-R231 IonicContact OD2-NH1 3.88Å; D124-K232 WeakPolarHBondContact CA-O 3.3Å
125D85.1Confident90.3Very high65 Ų6570.4 Ų70.435%0.34831%0.313SS..SBendtrans-60.7-22.8172.2535.8000113.6R231 K232 L234D125-R231 WeakPolarHBondContact OD1-CA 3.39Å; D125-K232 PolarHBondContact N-O 3.41Å; D125-K232 PolarHBondContact OD1-N 3.27Å; D125-K232 VanDerWaalsContact OD1-N 3.16Å; D125-K232 WeakPolarHBondContact OD2-CB 3.33Å; D125-K232 PolarHBondContact OD2-N 3.1Å; D125-L234 HydrophobicContact CB-CD2 4.19Å
126F82.7Confident90Very high121 Ų12173.2 Ų73.253%0.53134%0.343SS..SBendtrans-81.2-34.6-178.7-173.9-92.4000114.8D124 R231D124-F126 PolarHBondContact O-N 2.91Å; F126-R231 HydrophobicContact CB-CG 4.02Å; F126-R231 VanDerWaalsContact CE1-CZ 3.45Å; F126-R231 VanDerWaalsContact CE2-NH2 3.31Å; F126-R231 VanDerWaalsContact CG-NH1 3.32Å; F126-R231 VanDerWaalsContact CG-NH2 3.34Å
127R84.2Confident89.9Confident108 Ų10871.3 Ų71.341%0.40834%0.34SS..SBendtrans-130.669.2176.8-78.1167.5-48.7168.61.2109.8D124 Y129 L130 R132D124-R127 PolarHBondContact OD1-N 3.2Å; R127-Y129 VanDerWaalsContact C-N 3.27Å; R127-Y129 PolarHBondContact O-N 2.92Å; R127-L130 HydrophobicContact CB-CB 4.48Å; R127-L130 HydrophobicContact CB-CD1 3.8Å; R127-L130 HydrophobicContact CB-CG 4.05Å; R127-L130 HydrophobicContact CG-CD1 4.1Å; R127-L130 PolarHBondContact O-N 2.92Å; R127-R132 PolarHBondContact O-NH2 2.94Å
128P81Confident89.7Confident67 Ų6776.6 Ų76.644%0.43537%0.368SS..THydrogen-bonded Turntrans-67-28.4-173.626.3-34.6000112.7L130P128-L130 VanDerWaalsContact C-N 3.34Å; P128-L130 PolarHBondContact O-N 3.23Å
129Y85.6Confident89.7Confident223 Ų22378 Ų7888%0.87538%0.375SS*.THydrogen-bonded Turntrans-79.9-12.1-176.6-51.8-67.9000114.4R127 S131R127-Y129 VanDerWaalsContact C-N 3.27Å; R127-Y129 PolarHBondContact O-N 2.92Å; Y129-S131 PolarHBondContact O-N 3.26Å
130L86.2Confident89.8Confident89 Ų8978.1 Ų78.147%0.46638%0.378SS..SBendtrans-76.4119.3-179.9-71.4-175.7000111.2R127 P128 R132R127-L130 HydrophobicContact CB-CB 4.48Å; R127-L130 HydrophobicContact CB-CD1 3.8Å; R127-L130 HydrophobicContact CB-CG 4.05Å; R127-L130 HydrophobicContact CG-CD1 4.1Å; R127-L130 PolarHBondContact O-N 2.92Å; P128-L130 VanDerWaalsContact C-N 3.34Å; P128-L130 PolarHBondContact O-N 3.23Å; L130-R132 WeakPolarHBondContact O-CD 3.41Å; L130-R132 PolarHBondContact O-NE 3.2Å; L130-R132 VanDerWaalsContact O-NE 3.11Å
131S85.4Confident90Very high89 Ų8977 Ų7762%0.62237%0.372SS*.  trans-63.4137.1171.7-165.80000110.9Y129 K135Y129-S131 PolarHBondContact O-N 3.26Å; S131-K135 WeakPolarHBondContact OG-CD 3.41Å
132R88.5Confident90.2Very high35 Ų3577.6 Ų77.613%0.13238%0.376CS..  trans-110.6155.2-176.7-51.1-59.2173.6156.88.6110L120 D124 R127 L130 R134 K135L120-R132 WeakPolarHBondContact O-CB 3.34Å; D124-R132 IonicContact OD1-NH2 2.58Å; D124-R132 PolarHBondContact OD1-NH2 2.83Å; R127-R132 PolarHBondContact O-NH2 2.94Å; L130-R132 WeakPolarHBondContact O-CD 3.41Å; L130-R132 PolarHBondContact O-NE 3.2Å; L130-R132 VanDerWaalsContact O-NE 3.11Å; R132-R134 PolarHBondContact O-N 3.47Å; R132-K135 VanDerWaalsContact O-CB 3.29Å; R132-K135 WeakPolarHBondContact O-CB 3.22Å; R132-K135 PolarHBondContact O-N 3.11Å
133R89.6Confident90.4Very high214 Ų21479.2 Ų79.281%0.80839%0.385SS*.THydrogen-bonded Turntrans-57-26.7-173.1-172.4177.3179.5-171.91.6114
134R92.1Very high90.7Very high100 Ų10079.1 Ų79.138%0.37739%0.385SS..THydrogen-bonded Turntrans-114.920.4178.7-54.9-63.7-166.5179.33.5112.3L120 R121 R132 G136 N137L120-R134 HydrophobicContact CB-CB 4.29Å; L120-R134 HydrophobicContact CB-CG 4.01Å; L120-R134 CarbonylContact O-C 3.52Å; L120-R134 WeakPolarHBondContact O-CA 3.41Å; L120-R134 VanDerWaalsContact O-CB 3.3Å; L120-R134 WeakPolarHBondContact O-CB 3.37Å; L120-R134 PolarHBondContact O-N 2.85Å; R121-R134 HydrophobicContact CG-CB 3.77Å; R132-R134 PolarHBondContact O-N 3.47Å; R134-G136 PolarHBondContact O-N 3.15Å; R134-N137 WeakPolarHBondContact O-CB 3.09Å; R134-N137 PolarHBondContact O-N 3.09Å; R134-N137 VanDerWaalsContact O-N 3.08Å
135K90.9Very high91Very high140 Ų14080.1 Ų80.161%0.60939%0.39SS*.THydrogen-bonded Turntrans-55.7135.8176.8-174.3176.8-179.6179.50109.9S131 R132 N137S131-K135 WeakPolarHBondContact OG-CD 3.41Å; R132-K135 VanDerWaalsContact O-CB 3.29Å; R132-K135 WeakPolarHBondContact O-CB 3.22Å; R132-K135 PolarHBondContact O-N 3.11Å; K135-N137 VanDerWaalsContact C-N 3.32Å
136G90.7Very high91.5Very high65 Ų6585.1 Ų85.167%0.6740%0.404SS*.THydrogen-bonded Turntrans89.9-16.6-176.300000114.6R134 N138R134-G136 PolarHBondContact O-N 3.15Å; G136-N138 PolarHBondContact O-N 3.47Å
137N93Very high92.2Very high57 Ų5786.4 Ų86.431%0.30541%0.405SS..  trans-82.4111168.1179-37.9000108.9R121 R134 K135 E139R121-N137 VanDerWaalsContact CD-O 3.23Å; R121-N137 WeakPolarHBondContact CD-O 3.34Å; R121-N137 VanDerWaalsContact CG-O 3.31Å; R121-N137 WeakPolarHBondContact CG-O 3.28Å; R121-N137 PolarHBondContact NE-OD1 2.95Å; R121-N137 VanDerWaalsContact NE-OD1 3.15Å; R134-N137 WeakPolarHBondContact O-CB 3.09Å; R134-N137 PolarHBondContact O-N 3.09Å; R134-N137 VanDerWaalsContact O-N 3.08Å; K135-N137 VanDerWaalsContact C-N 3.32Å; N137-E139 WeakPolarHBondContact OD1-CB 3.24Å; N137-E139 PolarHBondContact OD1-N 3.34Å
138N93.5Very high92.7Very high111 Ų11184.2 Ų84.259%0.59442%0.416SS*.  trans-99.217.1178.4-67.2-33.6000113.7Y122 G136 T140Y122-N138 VanDerWaalsContact CE1-OD1 3.27Å; Y122-N138 WeakPolarHBondContact CE1-OD1 3.31Å; Y122-N138 WeakPolarHBondContact OH-CA 3.49Å; Y122-N138 PolarHBondContact OH-OD1 2.55Å; G136-N138 PolarHBondContact O-N 3.47Å; N138-T140 PolarHBondContact O-N 2.87Å
139E96.4Very high93.5Very high30 Ų3081 Ų8114%0.1440%0.395CS..  trans-64.1126.5178.4-172-178.3-13900110.4Y117 R121 N137 Q143 C144 R147Y117-E139 VanDerWaalsContact CE1-O 3.29Å; Y117-E139 WeakPolarHBondContact CE1-O 3.39Å; Y117-E139 PolarHBondContact OH-O 3.29Å; R121-E139 PolarHBondContact NE-O 3.47Å; R121-E139 IonicContact NH2-OE2 2.85Å; N137-E139 WeakPolarHBondContact OD1-CB 3.24Å; N137-E139 PolarHBondContact OD1-N 3.34Å; E139-Q143 HydrophobicContact CG-CB 3.57Å; E139-C144 HydrophobicContact CG-CB 4.35Å; E139-R147 VanDerWaalsContact CD-NH2 3.29Å; E139-R147 IonicContact OE1-CZ 3.28Å; E139-R147 VanDerWaalsContact OE1-CZ 3.28Å; E139-R147 IonicContact OE1-NE 2.75Å; E139-R147 PolarHBondContact OE1-NE 3.27Å; E139-R147 IonicContact OE1-NH2 2.96Å; E139-R147 PolarHBondContact OE1-NH2 3.2Å; E139-R147 IonicContact OE2-CZ 3.84Å; E139-R147 IonicContact OE2-NH2 2.8Å; E139-R147 PolarHBondContact OE2-NH2 3.22Å
140T97.2Very high93.9Very high36 Ų3679.3 Ų79.322%0.22139%0.392CS..  trans-68.1158.5173.460.40000111.4Y117 N138 D142 Q143 C144Y117-T140 PolarHBondContact OH-O 2.89Å; Y117-T140 VanDerWaalsContact OH-O 3.12Å; N138-T140 PolarHBondContact O-N 2.87Å; T140-D142 VanDerWaalsContact C-N 3.28Å; T140-D142 PolarHBondContact O-N 3.01Å; T140-Q143 PolarHBondContact O-N 2.83Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.42Å; T140-Q143 VanDerWaalsContact OG1-CD 3.22Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.27Å; T140-Q143 PolarHBondContact OG1-N 3.08Å; T140-Q143 PolarHBondContact OG1-OE1 2.98Å; T140-C144 PolarHBondContact O-N 3.46Å
141F97.9Very high94.3Very high1 Ų176.2 Ų76.20%0.00438%0.376CS..Hα-helixtrans-58.2-41.9176.7-166.3-100.9000111.6L113 I114 Y117 Y118 Q143 C144 I145 C152 P239 T243 M247L113-F141 HydrophobicContact CD2-CZ 4.18Å; L113-F141 HydrophobicContact CG-CE2 4.26Å; L113-F141 HydrophobicContact CG-CZ 4.33Å; I114-F141 HydrophobicContact CG1-CD1 4.25Å; I114-F141 HydrophobicContact CG1-CD2 4.4Å; I114-F141 HydrophobicContact CG1-CE1 4.19Å; I114-F141 HydrophobicContact CG1-CE2 4.34Å; I114-F141 HydrophobicContact CG1-CG 4.36Å; I114-F141 HydrophobicContact CG1-CZ 4.23Å; Y117-F141 HydrophobicContact CD1-CB 4.24Å; Y117-F141 AromaticContact CD1-CD2 3.81Å; Y117-F141 HydrophobicContact CD1-CD2 3.81Å; Y117-F141 AromaticContact CD2-CD2 3.88Å; Y117-F141 HydrophobicContact CD2-CD2 3.88Å; Y117-F141 HydrophobicContact CD2-CE2 4.27Å; Y117-F141 HydrophobicContact CE1-CB 4.2Å; Y117-F141 HydrophobicContact CE1-CD2 4.3Å; Y117-F141 HydrophobicContact CE2-CD2 4.34Å; Y117-F141 AromaticContact CG-CD2 3.59Å; Y117-F141 HydrophobicContact CG-CD2 3.59Å; Y117-F141 HydrophobicContact CG-CE2 4.18Å; Y118-F141 HydrophobicContact CE2-CB 4.03Å; Y118-F141 PolarHBondContact OH-N 3.43Å; F141-Q143 PolarHBondContact O-N 3.32Å; F141-C144 PolarHBondContact O-N 3.03Å; F141-I145 HydrophobicContact CD1-CG1 4.01Å; F141-I145 HydrophobicContact CE1-CD1 4.01Å; F141-I145 HydrophobicContact CE1-CG1 3.78Å; F141-I145 HydrophobicContact CZ-CD1 4.13Å; F141-I145 HydrophobicContact CZ-CG1 4.29Å; F141-I145 WeakPolarHBondContact O-CG1 3.32Å; F141-I145 PolarHBondContact O-N 3Å; F141-C152 HydrophobicContact CD2-CB 3.98Å; F141-C152 HydrophobicContact CE2-CB 3.54Å; F141-C152 HydrophobicContact CZ-CB 3.97Å; F141-P239 HydrophobicContact CB-CG 4.4Å; F141-P239 HydrophobicContact CD1-CB 4.24Å; F141-P239 HydrophobicContact CD1-CG 3.89Å; F141-P239 HydrophobicContact CG-CG 4.43Å; F141-T243 HydrophobicContact CD1-CG2 3.87Å; F141-T243 HydrophobicContact CE1-CG2 3.99Å; F141-M247 HydrophobicContact CZ-CE 4.22Å
142D98Very high94.8Very high18 Ų1872 Ų7210%0.09635%0.347CS..Hα-helixtrans-59.7-43.8175.7-61.8-72000113.1T140 C144 I145 R146 P239 S240 T243T140-D142 VanDerWaalsContact C-N 3.28Å; T140-D142 PolarHBondContact O-N 3.01Å; D142-C144 VanDerWaalsContact C-N 3.34Å; D142-C144 PolarHBondContact O-N 2.99Å; D142-I145 PolarHBondContact O-N 2.89Å; D142-R146 WeakPolarHBondContact O-CG 3.46Å; D142-R146 PolarHBondContact O-N 3.08Å; D142-P239 WeakPolarHBondContact OD2-CA 3.5Å; D142-S240 WeakPolarHBondContact OD1-CB 3.48Å; D142-S240 PolarHBondContact OD1-N 3.16Å; D142-S240 PolarHBondContact OD1-OG 2.87Å; D142-S240 PolarHBondContact OD2-N 3.07Å; D142-T243 WeakPolarHBondContact OD1-CB 3.4Å; D142-T243 PolarHBondContact OD1-OG1 3.29Å
143Q98.1Very high95.2Very high86 Ų8673.6 Ų73.640%0.40236%0.358SS..Hα-helixtrans-62.5-42.4177-76.2164.7-29.700111.4E139 T140 F141 I145 R146 R147E139-Q143 HydrophobicContact CG-CB 3.57Å; T140-Q143 PolarHBondContact O-N 2.83Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.42Å; T140-Q143 VanDerWaalsContact OG1-CD 3.22Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.27Å; T140-Q143 PolarHBondContact OG1-N 3.08Å; T140-Q143 PolarHBondContact OG1-OE1 2.98Å; F141-Q143 PolarHBondContact O-N 3.32Å; Q143-I145 VanDerWaalsContact C-N 3.34Å; Q143-I145 PolarHBondContact O-N 3.5Å; Q143-R146 PolarHBondContact O-N 3.44Å; Q143-R147 WeakPolarHBondContact O-CB 3.42Å; Q143-R147 PolarHBondContact O-N 3.27Å
144C98.1Very high95.4Very high0 Ų064.9 Ų64.90%033%0.328CS..Hα-helixtrans-61.6-43.7176.2179.40000111.6Y117 E139 T140 F141 D142 R147 G148 G149 D151 C152Y117-C144 HydrophobicContact CE2-CB 3.72Å; Y117-C144 WeakPolarHBondContact OH-CB 3.4Å; E139-C144 HydrophobicContact CG-CB 4.35Å; T140-C144 PolarHBondContact O-N 3.46Å; F141-C144 PolarHBondContact O-N 3.03Å; D142-C144 VanDerWaalsContact C-N 3.34Å; D142-C144 PolarHBondContact O-N 2.99Å; C144-R147 CarbonylContact O-C 3.55Å; C144-R147 PolarHBondContact O-N 2.94Å; C144-G148 PolarHBondContact O-N 3.02Å; C144-G149 PolarHBondContact O-N 2.98Å; C144-D151 PolarHBondContact SG-OD1 3.43Å; C144-D151 VanDerWaalsContact SG-OD1 3.41Å; C144-C152 HydrophobicContact CB-CB 3.78Å; C144-C152 WeakPolarHBondContact CB-SG 3.47Å; C144-C152 PolarHBondContact O-SG 3.46Å; C144-C152 WeakPolarHBondContact SG-CB 3.46Å; C144-C152 CovalentContact SG-SG 2.03Å; C144-C152 PolarHBondContact SG-SG 2.94Å
145I96.9Very high95.5Very high28 Ų2862.5 Ų62.514%0.14433%0.327CS..Hα-helixtrans-62.8-48.1179.1-69.1-69.5000110.7F141 D142 Q143 R147 G148 C152 T243 L246 M247F141-I145 HydrophobicContact CD1-CG1 4.01Å; F141-I145 HydrophobicContact CE1-CD1 4.01Å; F141-I145 HydrophobicContact CE1-CG1 3.78Å; F141-I145 HydrophobicContact CZ-CD1 4.13Å; F141-I145 HydrophobicContact CZ-CG1 4.29Å; F141-I145 WeakPolarHBondContact O-CG1 3.32Å; F141-I145 PolarHBondContact O-N 3Å; D142-I145 PolarHBondContact O-N 2.89Å; Q143-I145 VanDerWaalsContact C-N 3.34Å; Q143-I145 PolarHBondContact O-N 3.5Å; I145-R147 PolarHBondContact O-N 3.29Å; I145-G148 PolarHBondContact O-N 3.15Å; I145-C152 HydrophobicContact CD1-CB 3.79Å; I145-C152 WeakPolarHBondContact CD1-O 3.43Å; I145-C152 HydrophobicContact CG1-CB 4.15Å; I145-C152 PolarHBondContact N-SG 2.97Å; I145-C152 VanDerWaalsContact N-SG 3.42Å; I145-T243 HydrophobicContact CB-CG2 4.27Å; I145-T243 HydrophobicContact CG1-CG2 3.85Å; I145-T243 HydrophobicContact CG2-CG2 4.3Å; I145-L246 HydrophobicContact CG2-CD2 3.78Å; I145-M247 HydrophobicContact CD1-CE 4.45Å; I145-M247 HydrophobicContact CD1-CG 4.5Å; I145-M247 HydrophobicContact CD1-SD 3.69Å
146R96.4Very high95.7Very high170 Ų17058.9 Ų58.964%0.64232%0.315SS*.Hα-helixtrans-57.6-36.4176-74.6-169.1-66.9-93.92.4113D142 Q143 G148D142-R146 WeakPolarHBondContact O-CG 3.46Å; D142-R146 PolarHBondContact O-N 3.08Å; Q143-R146 PolarHBondContact O-N 3.44Å; R146-G148 VanDerWaalsContact C-N 3.32Å
147R96.2Very high96Very high148 Ų14855.8 Ų55.856%0.55828%0.283SS*.THydrogen-bonded Turntrans-81.1-8.2177.7-169.8175.954.567.81.8113.4E139 Q143 C144 I145E139-R147 VanDerWaalsContact CD-NH2 3.29Å; E139-R147 IonicContact OE1-CZ 3.28Å; E139-R147 VanDerWaalsContact OE1-CZ 3.28Å; E139-R147 IonicContact OE1-NE 2.75Å; E139-R147 PolarHBondContact OE1-NE 3.27Å; E139-R147 IonicContact OE1-NH2 2.96Å; E139-R147 PolarHBondContact OE1-NH2 3.2Å; E139-R147 IonicContact OE2-CZ 3.84Å; E139-R147 IonicContact OE2-NH2 2.8Å; E139-R147 PolarHBondContact OE2-NH2 3.22Å; Q143-R147 WeakPolarHBondContact O-CB 3.42Å; Q143-R147 PolarHBondContact O-N 3.27Å; C144-R147 CarbonylContact O-C 3.55Å; C144-R147 PolarHBondContact O-N 2.94Å; I145-R147 PolarHBondContact O-N 3.29Å
148G95.4Very high96.3Very high61 Ų6154 Ų5463%0.62927%0.272SS*.THydrogen-bonded Turntrans66.837.2-173.100000113.2C144 I145 R146C144-G148 PolarHBondContact O-N 3.02Å; I145-G148 PolarHBondContact O-N 3.15Å; R146-G148 VanDerWaalsContact C-N 3.32Å
149G96.9Very high96.5Very high1 Ų150.1 Ų50.11%0.0125%0.251CS..  trans-65.1145.4-176.500000114.2C144 D151 C152 N153C144-G149 PolarHBondContact O-N 2.98Å; G149-D151 VanDerWaalsContact C-N 3.34Å; G149-D151 PolarHBondContact O-N 3.44Å; G149-C152 PolarHBondContact O-SG 3.39Å; G149-N153 PolarHBondContact O-N 3.32Å
150K95.6Very high96.6Very high187 Ų18748.7 Ų48.781%0.81324%0.244SC*.THydrogen-bonded Turntrans-66.7-30.4-175.6-66.4-172.8178.9-1770114N153 N156K150-N153 WeakPolarHBondContact O-CB 3.24Å; K150-N156 PolarHBondContact O-ND2 2.85Å
151D94.1Very high96.6Very high24 Ų2447 Ų4713%0.12823%0.234CC..THydrogen-bonded Turntrans-89.8-13.1-175.159.4-36.8000114.5Y117 R121 C144 G149Y117-D151 WeakPolarHBondContact CE2-OD2 3.47Å; R121-D151 IonicContact CZ-OD2 2.75Å; R121-D151 VanDerWaalsContact CZ-OD2 3.26Å; R121-D151 IonicContact NH1-OD2 3.73Å; R121-D151 PolarHBondContact NH1-OD2 2.81Å; R121-D151 IonicContact NH2-OD1 3.96Å; R121-D151 IonicContact NH2-OD2 2.85Å; R121-D151 PolarHBondContact NH2-OD2 3.39Å; C144-D151 PolarHBondContact SG-OD1 3.43Å; C144-D151 VanDerWaalsContact SG-OD1 3.41Å; G149-D151 VanDerWaalsContact C-N 3.34Å; G149-D151 PolarHBondContact O-N 3.44Å
152C96Very high96.7Very high1 Ų147 Ų471%0.00723%0.234CC..THydrogen-bonded Turntrans-103.5-1.1167.156.20000112.8Y117 F141 C144 I145 G149 V154Y117-C152 HydrophobicContact CD2-CB 4.17Å; Y117-C152 HydrophobicContact CE2-CB 4.14Å; F141-C152 HydrophobicContact CD2-CB 3.98Å; F141-C152 HydrophobicContact CE2-CB 3.54Å; F141-C152 HydrophobicContact CZ-CB 3.97Å; C144-C152 HydrophobicContact CB-CB 3.78Å; C144-C152 WeakPolarHBondContact CB-SG 3.47Å; C144-C152 PolarHBondContact O-SG 3.46Å; C144-C152 WeakPolarHBondContact SG-CB 3.46Å; C144-C152 CovalentContact SG-SG 2.03Å; C144-C152 PolarHBondContact SG-SG 2.94Å; I145-C152 HydrophobicContact CD1-CB 3.79Å; I145-C152 WeakPolarHBondContact CD1-O 3.43Å; I145-C152 HydrophobicContact CG1-CB 4.15Å; I145-C152 PolarHBondContact N-SG 2.97Å; I145-C152 VanDerWaalsContact N-SG 3.42Å; G149-C152 PolarHBondContact O-SG 3.39Å; C152-V154 PolarHBondContact O-N 3.23Å
153N95.5Very high96.7Very high68 Ų6846.2 Ų46.236%0.36423%0.23SC..  trans-56.4139.3-178.5-172.5-75.2000111.8G149 K150 S155 N156G149-N153 PolarHBondContact O-N 3.32Å; K150-N153 WeakPolarHBondContact O-CB 3.24Å; N153-S155 PolarHBondContact O-N 3.26Å; N153-S155 VanDerWaalsContact O-N 3.16Å; N153-S155 VanDerWaalsContact OD1-CB 3.3Å; N153-S155 WeakPolarHBondContact OD1-CB 3.46Å; N153-S155 PolarHBondContact OD1-N 3.29Å; N153-S155 PolarHBondContact OD1-OG 3.5Å; N153-N156 VanDerWaalsContact O-CB 3.29Å; N153-N156 WeakPolarHBondContact O-CB 3.46Å; N153-N156 PolarHBondContact O-N 3.08Å; N153-N156 PolarHBondContact O-ND2 3.47Å; N153-N156 VanDerWaalsContact O-ND2 3.15Å
154V94.1Very high96.7Very high30 Ų3042.1 Ų42.118%0.18221%0.21CC..G310 helixtrans-58.4-26.8-177.474.80000114.3C152 N156 L157 M247 N250C152-V154 PolarHBondContact O-N 3.23Å; V154-N156 PolarHBondContact O-N 3.24Å; V154-L157 HydrophobicContact CG2-CD1 3.63Å; V154-L157 HydrophobicContact CG2-CG 4.47Å; V154-L157 VanDerWaalsContact O-CB 3.23Å; V154-L157 WeakPolarHBondContact O-CB 3.49Å; V154-L157 WeakPolarHBondContact O-CG 3.22Å; V154-L157 PolarHBondContact O-N 3.03Å; V154-M247 HydrophobicContact CB-CE 4.32Å; V154-M247 HydrophobicContact CB-SD 4.34Å; V154-M247 HydrophobicContact CG2-CE 4.19Å; V154-M247 HydrophobicContact CG2-SD 4.32Å; V154-N250 WeakPolarHBondContact CG1-ND2 3.47Å; V154-N250 HydrophobicContact CG2-CB 3.55Å
155S94.2Very high96.8Very high50 Ų5042.6 Ų42.635%0.3521%0.214SC..G310 helixtrans-59.5-25.6172.658.70000113.3N153 L157 W158N153-S155 PolarHBondContact O-N 3.26Å; N153-S155 VanDerWaalsContact O-N 3.16Å; N153-S155 VanDerWaalsContact OD1-CB 3.3Å; N153-S155 WeakPolarHBondContact OD1-CB 3.46Å; N153-S155 PolarHBondContact OD1-N 3.29Å; N153-S155 PolarHBondContact OD1-OG 3.5Å; S155-L157 PolarHBondContact O-N 2.78Å; S155-W158 WeakPolarHBondContact O-CB 3.44Å; S155-W158 PolarHBondContact O-N 2.92Å; S155-W158 VanDerWaalsContact O-N 3.16Å
156N95.9Very high96.8Very high65 Ų6541.3 Ų41.335%0.34821%0.207SC..G310 helixtrans-73.4-8.9175.7-61-52.7000113.4L113 K150 N153 V154 W158L113-N156 HydrophobicContact CD1-CB 3.65Å; L113-N156 HydrophobicContact CD2-CB 4.46Å; K150-N156 PolarHBondContact O-ND2 2.85Å; N153-N156 VanDerWaalsContact O-CB 3.29Å; N153-N156 WeakPolarHBondContact O-CB 3.46Å; N153-N156 PolarHBondContact O-N 3.08Å; N153-N156 PolarHBondContact O-ND2 3.47Å; N153-N156 VanDerWaalsContact O-ND2 3.15Å; V154-N156 PolarHBondContact O-N 3.24Å; N156-W158 VanDerWaalsContact C-N 3.28Å
157L97.3Very high96.9Very high0 Ų034.9 Ų34.90%018%0.184CC..G310 helixtrans-68.9-30.1168.5-67.5173.8000111.5P109 L110 R112 L113 V154 S155 L159 M247 I252 W253 E256P109-L157 HydrophobicContact CB-CD2 4.36Å; P109-L157 WeakPolarHBondContact O-CD2 3.42Å; L110-L157 HydrophobicContact CD1-CD2 4.39Å; R112-L157 PolarHBondContact NH2-O 3.01Å; L113-L157 HydrophobicContact CB-CD2 3.79Å; L113-L157 HydrophobicContact CD2-CD2 3.58Å; L113-L157 HydrophobicContact CD2-CG 3.82Å; L113-L157 HydrophobicContact CG-CD2 4.33Å; V154-L157 HydrophobicContact CG2-CD1 3.63Å; V154-L157 HydrophobicContact CG2-CG 4.47Å; V154-L157 VanDerWaalsContact O-CB 3.23Å; V154-L157 WeakPolarHBondContact O-CB 3.49Å; V154-L157 WeakPolarHBondContact O-CG 3.22Å; V154-L157 PolarHBondContact O-N 3.03Å; S155-L157 PolarHBondContact O-N 2.78Å; L157-L159 PolarHBondContact O-N 3.23Å; L157-M247 HydrophobicContact CD1-CE 4.02Å; L157-M247 HydrophobicContact CG-CE 4.26Å; L157-I252 HydrophobicContact CB-CG2 3.99Å; L157-W253 HydrophobicContact CD1-CB 3.54Å; L157-W253 HydrophobicContact CD1-CG 4.08Å; L157-E256 VanDerWaalsContact O-CG 3.3Å; L157-E256 WeakPolarHBondContact O-CG 3.45Å
158W97.8Very high97Very high20 Ų2030 Ų308%0.07617%0.173CC..THydrogen-bonded Turntrans-71.690.8-179.8-165.3-111.4000110.7S155 N156 I161 P162 C171 I173 P174 A179 I252 M255 E256S155-W158 WeakPolarHBondContact O-CB 3.44Å; S155-W158 PolarHBondContact O-N 2.92Å; S155-W158 VanDerWaalsContact O-N 3.16Å; N156-W158 VanDerWaalsContact C-N 3.28Å; W158-I161 HydrophobicContact CE3-CD1 4.05Å; W158-I161 HydrophobicContact CH2-CB 4.1Å; W158-I161 HydrophobicContact CH2-CD1 3.8Å; W158-I161 HydrophobicContact CH2-CG2 3.59Å; W158-I161 HydrophobicContact CZ2-CB 4.35Å; W158-I161 HydrophobicContact CZ2-CG2 3.73Å; W158-I161 HydrophobicContact CZ3-CB 4.19Å; W158-I161 HydrophobicContact CZ3-CD1 3.36Å; W158-I161 HydrophobicContact CZ3-CG1 4.39Å; W158-I161 HydrophobicContact CZ3-CG2 4.18Å; W158-P162 HydrophobicContact CD2-CG 4.24Å; W158-P162 HydrophobicContact CG-CG 3.96Å; W158-P162 VanDerWaalsContact NE1-CG 3.31Å; W158-C171 PolarHBondContact NE1-O 2.9Å; W158-C171 VanDerWaalsContact NE1-O 3.07Å; W158-I173 WeakPolarHBondContact CZ2-O 3.28Å; W158-I173 PolarHBondContact NE1-O 3.2Å; W158-P174 HydrophobicContact CB-CB 4.03Å; W158-P174 HydrophobicContact CB-CG 4.47Å; W158-P174 HydrophobicContact CD2-CB 4.37Å; W158-P174 HydrophobicContact CG-CB 3.88Å; W158-P174 HydrophobicContact CG-CG 4.33Å; W158-A179 HydrophobicContact CH2-CB 4.33Å; W158-A179 HydrophobicContact CZ2-CB 3.83Å; W158-I252 HydrophobicContact CB-CG2 3.84Å; W158-I252 HydrophobicContact CE3-CG2 4Å; W158-M255 HydrophobicContact CH2-CE 3.78Å; W158-M255 HydrophobicContact CZ3-CB 4.06Å; W158-M255 HydrophobicContact CZ3-CE 3.96Å; W158-M255 HydrophobicContact CZ3-SD 4.27Å; W158-E256 WeakPolarHBondContact CA-OE1 3.29Å; W158-E256 HydrophobicContact CE3-CG 4.2Å
159L97.8Very high97Very high29 Ų2930.7 Ų30.715%0.15217%0.173CC..THydrogen-bonded Turntrans-147.5-48.6-175.9-167.770.4000112.8I25 P26 L157 P162 F163 E256I25-L159 HydrophobicContact CG2-CD2 4.27Å; P26-L159 HydrophobicContact CB-CD2 4.35Å; P26-L159 HydrophobicContact CG-CD2 4.21Å; L157-L159 PolarHBondContact O-N 3.23Å; L159-P162 WeakPolarHBondContact O-CD 3.47Å; L159-F163 HydrophobicContact CD1-CD2 4.07Å; L159-F163 HydrophobicContact CD1-CE2 3.69Å; L159-F163 HydrophobicContact CG-CD2 4.1Å; L159-F163 HydrophobicContact CG-CE2 4.03Å; L159-F163 WeakPolarHBondContact O-CD2 3.34Å; L159-F163 PolarHBondContact O-N 3.33Å; L159-F163 VanDerWaalsContact O-N 3.1Å; L159-E256 PolarHBondContact N-OE1 2.9Å
160Q98.6Very high97.1Very high0 Ų033.9 Ų33.90%019%0.189CC..Hα-helixtrans-71.9-43.2-173.6-48.5-173103.600109.8I25 R107 F163 F164 E256 F259I25-Q160 HydrophobicContact CD1-CB 4.01Å; I25-Q160 HydrophobicContact CD1-CG 4.22Å; I25-Q160 HydrophobicContact CG2-CG 4.07Å; R107-Q160 PolarHBondContact O-NE2 2.89Å; R107-Q160 PolarHBondContact O-OE1 2.93Å; Q160-F163 WeakPolarHBondContact O-CB 3.35Å; Q160-F163 PolarHBondContact O-N 3.15Å; Q160-F163 VanDerWaalsContact O-N 3.15Å; Q160-F164 WeakPolarHBondContact O-CD2 3.33Å; Q160-F164 PolarHBondContact O-N 2.95Å; Q160-E256 WeakPolarHBondContact CB-OE2 3.3Å; Q160-E256 WeakPolarHBondContact CG-OE2 3.25Å; Q160-E256 PolarHBondContact N-OE1 2.84Å; Q160-E256 PolarHBondContact N-OE2 3.35Å; Q160-E256 PolarHBondContact NE2-OE2 3.27Å; Q160-F259 HydrophobicContact CB-CD1 4.18Å; Q160-F259 HydrophobicContact CB-CE1 4.27Å
161I98.9Very high97.2Very high0 Ų025 Ų250%015%0.151CC..Hα-helixtrans-55.9-53.7174.6-70.1163.8000111.2W158 F163 F164 C165 A179 L180 A183 M255 E256 F259W158-I161 HydrophobicContact CE3-CD1 4.05Å; W158-I161 HydrophobicContact CH2-CB 4.1Å; W158-I161 HydrophobicContact CH2-CD1 3.8Å; W158-I161 HydrophobicContact CH2-CG2 3.59Å; W158-I161 HydrophobicContact CZ2-CB 4.35Å; W158-I161 HydrophobicContact CZ2-CG2 3.73Å; W158-I161 HydrophobicContact CZ3-CB 4.19Å; W158-I161 HydrophobicContact CZ3-CD1 3.36Å; W158-I161 HydrophobicContact CZ3-CG1 4.39Å; W158-I161 HydrophobicContact CZ3-CG2 4.18Å; I161-F163 VanDerWaalsContact C-N 3.28Å; I161-F163 PolarHBondContact O-N 3.17Å; I161-F164 PolarHBondContact O-N 2.93Å; I161-F164 VanDerWaalsContact O-N 3.1Å; I161-C165 VanDerWaalsContact O-CB 3.3Å; I161-C165 WeakPolarHBondContact O-CB 3.12Å; I161-C165 PolarHBondContact O-N 2.98Å; I161-A179 HydrophobicContact CG2-CB 4.12Å; I161-A179 WeakPolarHBondContact CG2-O 3.5Å; I161-L180 HydrophobicContact CD1-CB 4.34Å; I161-L180 HydrophobicContact CD1-CD1 3.79Å; I161-L180 HydrophobicContact CG1-CD1 4.1Å; I161-A183 HydrophobicContact CB-CB 4.46Å; I161-A183 HydrophobicContact CG2-CB 3.97Å; I161-M255 HydrophobicContact CD1-CB 4.02Å; I161-M255 WeakPolarHBondContact CD1-O 3.3Å; I161-E256 HydrophobicContact CD1-CG 4.05Å; I161-E256 PolarHBondContact N-OE1 2.87Å; I161-E256 VanDerWaalsContact N-OE1 3.1Å; I161-F259 HydrophobicContact CD1-CB 4.09Å; I161-F259 HydrophobicContact CG1-CB 3.67Å; I161-F259 HydrophobicContact CG1-CD1 4.15Å; I161-F259 HydrophobicContact CG1-CD2 4.43Å; I161-F259 HydrophobicContact CG1-CG 3.82Å
162P98.6Very high97.3Very high2 Ų229.9 Ų29.91%0.01317%0.167CC..Hα-helixtrans-54.2-38.7174.9-28.130000115Y59 W158 L159 F164 C165 G166 C171Y59-P162 WeakPolarHBondContact OH-CB 3.31Å; W158-P162 HydrophobicContact CD2-CG 4.24Å; W158-P162 HydrophobicContact CG-CG 3.96Å; W158-P162 VanDerWaalsContact NE1-CG 3.31Å; L159-P162 WeakPolarHBondContact O-CD 3.47Å; P162-F164 PolarHBondContact O-N 2.87Å; P162-C165 PolarHBondContact O-N 2.8Å; P162-G166 PolarHBondContact O-N 3.41Å; P162-C171 WeakPolarHBondContact CG-O 3.06Å
163F98.7Very high97.3Very high1 Ų133.9 Ų33.90%0.00419%0.188CC..Hα-helixtrans-62.9-31.9179.5-99-108.3000112.7R24 I25 P26 H58 V87 V88 Y89 L159 Q160 I161R24-F163 VanDerWaalsContact O-CE1 3.23Å; R24-F163 WeakPolarHBondContact O-CE1 3.25Å; I25-F163 HydrophobicContact CB-CD1 4.48Å; I25-F163 HydrophobicContact CD1-CB 4.13Å; I25-F163 HydrophobicContact CG1-CB 3.8Å; I25-F163 HydrophobicContact CG1-CD1 3.66Å; I25-F163 HydrophobicContact CG1-CE1 4.37Å; I25-F163 HydrophobicContact CG1-CG 3.77Å; P26-F163 HydrophobicContact CG-CZ 4.36Å; H58-F163 HydrophobicContact CB-CE2 3.96Å; H58-F163 HydrophobicContact CB-CZ 3.87Å; H58-F163 AromaticContact CD2-CZ 3.74Å; H58-F163 AromaticContact CE1-CE2 3.91Å; H58-F163 AromaticContact CG-CE2 3.64Å; H58-F163 AromaticContact CG-CZ 3.52Å; H58-F163 AromaticContact ND1-CE2 3.43Å; H58-F163 WeakPolarHBondContact ND1-CE2 3.39Å; H58-F163 AromaticContact ND1-CZ 3.74Å; V87-F163 WeakPolarHBondContact O-CD1 3.17Å; V87-F163 WeakPolarHBondContact O-CE1 3.31Å; V88-F163 HydrophobicContact CG1-CD2 4.05Å; V88-F163 HydrophobicContact CG1-CE2 4.34Å; V88-F163 HydrophobicContact CG1-CG 4.2Å; Y89-F163 VanDerWaalsContact CB-O 3.31Å; Y89-F163 WeakPolarHBondContact CB-O 3.46Å; Y89-F163 PolarHBondContact N-O 2.79Å; L159-F163 HydrophobicContact CD1-CD2 4.07Å; L159-F163 HydrophobicContact CD1-CE2 3.69Å; L159-F163 HydrophobicContact CG-CD2 4.1Å; L159-F163 HydrophobicContact CG-CE2 4.03Å; L159-F163 WeakPolarHBondContact O-CD2 3.34Å; L159-F163 PolarHBondContact O-N 3.33Å; L159-F163 VanDerWaalsContact O-N 3.1Å; Q160-F163 WeakPolarHBondContact O-CB 3.35Å; Q160-F163 PolarHBondContact O-N 3.15Å; Q160-F163 VanDerWaalsContact O-N 3.15Å; I161-F163 VanDerWaalsContact C-N 3.28Å; I161-F163 PolarHBondContact O-N 3.17Å
164F98.9Very high97.4Very high0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-88.9-35.4174.1-77.5-92.6000112.8I25 N104 V106 Q160 I161 P162 G166 A183 T186 L187 Y191 V194 F259I25-F164 HydrophobicContact CD1-CD2 4.23Å; I25-F164 HydrophobicContact CD1-CE2 3.67Å; N104-F164 HydrophobicContact CB-CE1 4.31Å; N104-F164 HydrophobicContact CB-CE2 4.48Å; N104-F164 HydrophobicContact CB-CZ 3.67Å; V106-F164 HydrophobicContact CG1-CE2 3.68Å; V106-F164 HydrophobicContact CG1-CZ 4.1Å; Q160-F164 WeakPolarHBondContact O-CD2 3.33Å; Q160-F164 PolarHBondContact O-N 2.95Å; I161-F164 PolarHBondContact O-N 2.93Å; I161-F164 VanDerWaalsContact O-N 3.1Å; P162-F164 PolarHBondContact O-N 2.87Å; F164-G166 VanDerWaalsContact C-N 3.33Å; F164-G166 PolarHBondContact O-N 2.83Å; F164-A183 HydrophobicContact CB-CB 3.73Å; F164-T186 VanDerWaalsContact O-CG2 3.28Å; F164-T186 WeakPolarHBondContact O-CG2 3.47Å; F164-L187 HydrophobicContact CD1-CB 4.19Å; F164-L187 HydrophobicContact CE1-CB 4.3Å; F164-L187 HydrophobicContact CE1-CD1 4.28Å; F164-L187 HydrophobicContact CE1-CG 4.38Å; F164-Y191 AromaticContact CD1-CD2 3.94Å; F164-Y191 HydrophobicContact CD1-CD2 3.94Å; F164-Y191 HydrophobicContact CD1-CE1 4.23Å; F164-Y191 AromaticContact CD1-CE2 3.43Å; F164-Y191 HydrophobicContact CD1-CE2 3.43Å; F164-Y191 VanDerWaalsContact CD1-CE2 3.43Å; F164-Y191 AromaticContact CD1-CZ 3.56Å; F164-Y191 AromaticContact CE1-CD1 3.83Å; F164-Y191 HydrophobicContact CE1-CD1 3.83Å; F164-Y191 AromaticContact CE1-CD2 3.82Å; F164-Y191 HydrophobicContact CE1-CD2 3.82Å; F164-Y191 AromaticContact CE1-CE1 3.59Å; F164-Y191 HydrophobicContact CE1-CE1 3.59Å; F164-Y191 AromaticContact CE1-CE2 3.56Å; F164-Y191 HydrophobicContact CE1-CE2 3.56Å; F164-Y191 AromaticContact CE1-CG 3.95Å; F164-Y191 HydrophobicContact CE1-CG 3.95Å; F164-Y191 AromaticContact CE1-CZ 3.4Å; F164-Y191 VanDerWaalsContact CE1-CZ 3.4Å; F164-Y191 HydrophobicContact CZ-CE1 4.22Å; F164-V194 HydrophobicContact CE1-CG1 4.45Å; F164-V194 HydrophobicContact CE1-CG2 3.66Å; F164-V194 HydrophobicContact CZ-CB 4.49Å; F164-V194 HydrophobicContact CZ-CG1 3.81Å; F164-V194 HydrophobicContact CZ-CG2 3.8Å; F164-F259 HydrophobicContact CB-CE2 4.5Å; F164-F259 HydrophobicContact CB-CZ 3.95Å; F164-F259 HydrophobicContact CD1-CZ 4.05Å; F164-F259 AromaticContact CD2-CE1 3.45Å; F164-F259 HydrophobicContact CD2-CE1 3.45Å; F164-F259 VanDerWaalsContact CD2-CE1 3.45Å; F164-F259 AromaticContact CD2-CZ 3.31Å; F164-F259 HydrophobicContact CD2-CZ 3.31Å; F164-F259 HydrophobicContact CE1-CZ 4.38Å; F164-F259 AromaticContact CE2-CE1 3.64Å; F164-F259 HydrophobicContact CE2-CE1 3.64Å; F164-F259 AromaticContact CE2-CZ 3.67Å; F164-F259 HydrophobicContact CE2-CZ 3.67Å; F164-F259 HydrophobicContact CG-CE1 4.13Å; F164-F259 HydrophobicContact CG-CE2 4.42Å; F164-F259 AromaticContact CG-CZ 3.5Å; F164-F259 HydrophobicContact CG-CZ 3.5Å; F164-F259 HydrophobicContact CZ-CE1 4.48Å; F164-F259 HydrophobicContact CZ-CZ 4.19Å
165C98.9Very high97.4Very high10 Ų1033 Ų337%0.06819%0.19CC..Hα-helixtrans-64.7-35.3179.4-178.80000112.6I161 P162 C171 A179 A183I161-C165 VanDerWaalsContact O-CB 3.3Å; I161-C165 WeakPolarHBondContact O-CB 3.12Å; I161-C165 PolarHBondContact O-N 2.98Å; P162-C165 PolarHBondContact O-N 2.8Å; C165-C171 HydrophobicContact CB-CB 3.66Å; C165-C171 WeakPolarHBondContact CB-SG 3.32Å; C165-C171 PolarHBondContact O-SG 3.44Å; C165-C171 WeakPolarHBondContact SG-CA 3.39Å; C165-C171 WeakPolarHBondContact SG-CB 3.42Å; C165-C171 CovalentContact SG-SG 2.03Å; C165-C171 PolarHBondContact SG-SG 3.21Å; C165-A179 HydrophobicContact CB-CB 4.49Å; C165-A183 HydrophobicContact CB-CB 4.42Å
166G98.3Very high97.6Very high1 Ų132 Ų321%0.0118%0.18CC..  trans92.5-141.5173.600000114.2Y89 P162 F164Y89-G166 VanDerWaalsContact O-CA 3.32Å; Y89-G166 WeakPolarHBondContact O-CA 3.34Å; P162-G166 PolarHBondContact O-N 3.41Å; F164-G166 VanDerWaalsContact C-N 3.33Å; F164-G166 PolarHBondContact O-N 2.83Å
167H97.4Very high97.7Very high35 Ų3533.1 Ų33.116%0.16219%0.191CC..SBendtrans-95.67-167.6-61.567.9000115.7M60 Q65 V88 Y89 I90M60-H167 PolarHBondContact N-NE2 3.03Å; M60-H167 PolarHBondContact O-CD2 3.39Å; M60-H167 VanDerWaalsContact O-CD2 3.3Å; Q65-H167 VanDerWaalsContact CD-CD2 3.45Å; Q65-H167 PolarHBondContact NE2-CD2 2.81Å; V88-H167 WeakPolarHBondContact CG2-CE1 3.24Å; V88-H167 WeakPolarHBondContact CG2-ND1 3.48Å; Y89-H167 PolarHBondContact O-CE1 3.31Å; Y89-H167 PolarHBondContact O-ND1 3.17Å; Y89-H167 VanDerWaalsContact O-ND1 3.09Å; I90-H167 WeakPolarHBondContact CG1-CE1 3.34Å
168S97.5Very high97.8Very high44 Ų4438.6 Ų38.631%0.30821%0.212SC..  trans-60.9144.7172.5-176.70000110.2D170 C171S168-D170 PolarHBondContact O-N 3.3Å; S168-D170 PolarHBondContact OG-N 2.88Å; S168-C171 WeakPolarHBondContact O-CB 3.34Å; S168-C171 PolarHBondContact O-N 2.98Å; S168-C171 VanDerWaalsContact O-N 3.13Å
169A96.7Very high97.9Very high77 Ų7737.7 Ų37.764%0.63621%0.208SC*.G310 helixtrans-55.8-38.8175.300000110.9C171 R172A169-C171 VanDerWaalsContact C-N 3.28Å; A169-C171 PolarHBondContact O-N 3.26Å; A169-R172 PolarHBondContact O-N 3.44Å; A169-R172 VanDerWaalsContact O-N 3.15Å
170D98.2Very high97.9Very high67 Ų6736.8 Ų36.836%0.35820%0.204SC..G310 helixtrans-66.3-25.7-179.1-70-29.7000113.9S168 R172 I173 N176 W178S168-D170 PolarHBondContact O-N 3.3Å; S168-D170 PolarHBondContact OG-N 2.88Å; D170-R172 PolarHBondContact O-N 3.47Å; D170-I173 PolarHBondContact O-N 2.84Å; D170-N176 WeakPolarHBondContact CB-ND2 2.88Å; D170-N176 PolarHBondContact O-ND2 2.75Å; D170-W178 HydrophobicContact CB-CE3 3.53Å; D170-W178 HydrophobicContact CB-CZ3 3.62Å
171C98.5Very high97.9Very high0 Ų040.3 Ų40.30%023%0.228CC..G310 helixtrans-62.2-26.4175.8-60.90000112.2W158 P162 C165 S168 A169W158-C171 PolarHBondContact NE1-O 2.9Å; W158-C171 VanDerWaalsContact NE1-O 3.07Å; P162-C171 WeakPolarHBondContact CG-O 3.06Å; C165-C171 HydrophobicContact CB-CB 3.66Å; C165-C171 WeakPolarHBondContact CB-SG 3.32Å; C165-C171 PolarHBondContact O-SG 3.44Å; C165-C171 WeakPolarHBondContact SG-CA 3.39Å; C165-C171 WeakPolarHBondContact SG-CB 3.42Å; C165-C171 CovalentContact SG-SG 2.03Å; C165-C171 PolarHBondContact SG-SG 3.21Å; S168-C171 WeakPolarHBondContact O-CB 3.34Å; S168-C171 PolarHBondContact O-N 2.98Å; S168-C171 VanDerWaalsContact O-N 3.13Å; A169-C171 VanDerWaalsContact C-N 3.28Å; A169-C171 PolarHBondContact O-N 3.26Å
172R95.4Very high97.9Very high127 Ų12743 Ų4348%0.47924%0.24SC..G310 helixtrans-89.2-7.5-175.9-58-170.3-175.7-17710.1113.7Y59 A169 D170 P174Y59-R172 VanDerWaalsContact CD1-NH2 3.25Å; Y59-R172 HydrophobicContact CE1-CG 4.06Å; Y59-R172 HydrophobicContact CE2-CG 4.49Å; Y59-R172 VanDerWaalsContact CG-CZ 3.49Å; A169-R172 PolarHBondContact O-N 3.44Å; A169-R172 VanDerWaalsContact O-N 3.15Å; D170-R172 PolarHBondContact O-N 3.47Å; R172-P174 WeakPolarHBondContact O-CD 3.23Å
173I96.8Very high97.9Very high85 Ų8542.9 Ų42.944%0.43624%0.239SC..SBendtrans-83.5109.4179.7-57.5175.7000107.7W158 D170 G175 N176W158-I173 WeakPolarHBondContact CZ2-O 3.28Å; W158-I173 PolarHBondContact NE1-O 3.2Å; D170-I173 PolarHBondContact O-N 2.84Å; I173-G175 PolarHBondContact O-N 3.46Å; I173-N176 HydrophobicContact CB-CB 4.05Å; I173-N176 HydrophobicContact CG2-CB 4.25Å; I173-N176 VanDerWaalsContact O-CB 3.27Å; I173-N176 WeakPolarHBondContact O-CB 3.5Å; I173-N176 PolarHBondContact O-N 3.49Å
174P96.3Very high98Very high66 Ų6644.8 Ų44.843%0.42925%0.247SC..THydrogen-bonded Turntrans-61.5131.3-178.2-22.435.8000111.6W158 R172 I252W158-P174 HydrophobicContact CB-CB 4.03Å; W158-P174 HydrophobicContact CB-CG 4.47Å; W158-P174 HydrophobicContact CD2-CB 4.37Å; W158-P174 HydrophobicContact CG-CB 3.88Å; W158-P174 HydrophobicContact CG-CG 4.33Å; R172-P174 WeakPolarHBondContact O-CD 3.23Å; P174-I252 HydrophobicContact CB-CD1 3.7Å; P174-I252 HydrophobicContact CB-CG1 4.31Å
175G95.9Very high98Very high15 Ų1548.9 Ų48.916%0.15527%0.267CS..THydrogen-bonded Turntrans81.311.2-179.500000114.9I173 P177 M255I173-G175 PolarHBondContact O-N 3.46Å; G175-P177 VanDerWaalsContact O-CD 3.25Å; G175-P177 WeakPolarHBondContact O-CD 3.38Å; G175-M255 VanDerWaalsContact CA-SD 3.52Å; G175-M255 VanDerWaalsContact O-SD 3.42Å
176N97.9Very high98Very high27 Ų2748.5 Ų48.514%0.14426%0.264CS..  trans-71.6116177.1-174.4-23.2000111.5D170 I173 W178 A179 L180 M255D170-N176 WeakPolarHBondContact CB-ND2 2.88Å; D170-N176 PolarHBondContact O-ND2 2.75Å; I173-N176 HydrophobicContact CB-CB 4.05Å; I173-N176 HydrophobicContact CG2-CB 4.25Å; I173-N176 VanDerWaalsContact O-CB 3.27Å; I173-N176 WeakPolarHBondContact O-CB 3.5Å; I173-N176 PolarHBondContact O-N 3.49Å; N176-W178 VanDerWaalsContact C-N 3.29Å; N176-W178 PolarHBondContact O-N 2.83Å; N176-W178 WeakPolarHBondContact OD1-CB 3.32Å; N176-W178 PolarHBondContact OD1-N 3.37Å; N176-A179 HydrophobicContact CB-CB 4.12Å; N176-A179 WeakPolarHBondContact O-CB 3.34Å; N176-A179 PolarHBondContact O-N 2.82Å; N176-A179 VanDerWaalsContact O-N 3.15Å; N176-L180 PolarHBondContact O-N 2.98Å; N176-M255 WeakPolarHBondContact O-CE 3.06Å
177P98.5Very high98Very high90 Ų9049 Ų4958%0.58427%0.266SS*.Hα-helixtrans-62.4-33.6-178.3-23.635.6000113.7G175 A179 L180 S181G175-P177 VanDerWaalsContact O-CD 3.25Å; G175-P177 WeakPolarHBondContact O-CD 3.38Å; P177-A179 VanDerWaalsContact C-N 3.3Å; P177-A179 PolarHBondContact O-N 3.43Å; P177-L180 PolarHBondContact O-N 3.03Å; P177-S181 PolarHBondContact O-N 3Å; P177-S181 VanDerWaalsContact O-N 3.09Å; P177-S181 PolarHBondContact O-OG 3.48Å
178W98.8Very high98Very high115 Ų11551.5 Ų51.544%0.43628%0.28SS..Hα-helixtrans-62.7-39.8176.7175.288.8000111.3D170 N176 L180 S181 K182D170-W178 HydrophobicContact CB-CE3 3.53Å; D170-W178 HydrophobicContact CB-CZ3 3.62Å; N176-W178 VanDerWaalsContact C-N 3.29Å; N176-W178 PolarHBondContact O-N 2.83Å; N176-W178 WeakPolarHBondContact OD1-CB 3.32Å; N176-W178 PolarHBondContact OD1-N 3.37Å; W178-L180 VanDerWaalsContact C-N 3.33Å; W178-L180 PolarHBondContact O-N 3.45Å; W178-S181 PolarHBondContact O-N 3.16Å; W178-K182 HydrophobicContact CH2-CB 4.33Å; W178-K182 HydrophobicContact CH2-CG 4.17Å; W178-K182 HydrophobicContact CZ2-CB 4.3Å; W178-K182 HydrophobicContact CZ2-CG 4.24Å; W178-K182 HydrophobicContact CZ3-CB 4.48Å; W178-K182 WeakPolarHBondContact O-CB 3.46Å; W178-K182 PolarHBondContact O-N 3.32Å
179A98.9Very high98.1Very high0 Ų054.5 Ų54.50%029%0.293CS..Hα-helixtrans-64.7-37.5179.400000112.2W158 I161 C165 N176 P177 K182 A183W158-A179 HydrophobicContact CH2-CB 4.33Å; W158-A179 HydrophobicContact CZ2-CB 3.83Å; I161-A179 HydrophobicContact CG2-CB 4.12Å; I161-A179 WeakPolarHBondContact CG2-O 3.5Å; C165-A179 HydrophobicContact CB-CB 4.49Å; N176-A179 HydrophobicContact CB-CB 4.12Å; N176-A179 WeakPolarHBondContact O-CB 3.34Å; N176-A179 PolarHBondContact O-N 2.82Å; N176-A179 VanDerWaalsContact O-N 3.15Å; P177-A179 VanDerWaalsContact C-N 3.3Å; P177-A179 PolarHBondContact O-N 3.43Å; A179-K182 PolarHBondContact O-N 3.3Å; A179-A183 VanDerWaalsContact O-CB 3.28Å; A179-A183 WeakPolarHBondContact O-CB 3.48Å; A179-A183 PolarHBondContact O-N 3.32Å
180L98.9Very high98.1Very high11 Ų1152.6 Ų52.66%0.05827%0.272CS..Hα-helixtrans-63.4-49.7173.2171.559.8000111.3I161 N176 P177 W178 K182 A183 K184 M255 F259I161-L180 HydrophobicContact CD1-CB 4.34Å; I161-L180 HydrophobicContact CD1-CD1 3.79Å; I161-L180 HydrophobicContact CG1-CD1 4.1Å; N176-L180 PolarHBondContact O-N 2.98Å; P177-L180 PolarHBondContact O-N 3.03Å; W178-L180 VanDerWaalsContact C-N 3.33Å; W178-L180 PolarHBondContact O-N 3.45Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.96Å; L180-A183 PolarHBondContact O-N 3.48Å; L180-K184 HydrophobicContact CD1-CG 4.45Å; L180-K184 WeakPolarHBondContact O-CG 3.03Å; L180-K184 PolarHBondContact O-N 3.17Å; L180-K184 VanDerWaalsContact O-N 3.09Å; L180-M255 HydrophobicContact CB-CE 3.71Å; L180-M255 HydrophobicContact CD2-CB 4.18Å; L180-M255 HydrophobicContact CD2-CE 3.97Å; L180-M255 HydrophobicContact CD2-CG 4.2Å; L180-M255 HydrophobicContact CG-CE 4.5Å; L180-F259 HydrophobicContact CD1-CB 3.76Å; L180-F259 HydrophobicContact CD1-CD2 4.34Å; L180-F259 HydrophobicContact CD1-CG 4.48Å
181S98.9Very high98.2Very high73 Ų7350.2 Ų50.251%0.5126%0.258SS..Hα-helixtrans-58.3-44.2177-660000111.4P177 W178 K184 E185P177-S181 PolarHBondContact O-N 3Å; P177-S181 VanDerWaalsContact O-N 3.09Å; P177-S181 PolarHBondContact O-OG 3.48Å; W178-S181 PolarHBondContact O-N 3.16Å; S181-K184 PolarHBondContact O-N 3.03Å; S181-E185 PolarHBondContact O-N 3.49Å
182K98.9Very high98.1Very high57 Ų5753.9 Ų53.925%0.24828%0.278CS..Hα-helixtrans-66.3-40.8178.8-172.855179.2178.40112.5W178 A179 L180 K184 E185 T186W178-K182 HydrophobicContact CH2-CB 4.33Å; W178-K182 HydrophobicContact CH2-CG 4.17Å; W178-K182 HydrophobicContact CZ2-CB 4.3Å; W178-K182 HydrophobicContact CZ2-CG 4.24Å; W178-K182 HydrophobicContact CZ3-CB 4.48Å; W178-K182 WeakPolarHBondContact O-CB 3.46Å; W178-K182 PolarHBondContact O-N 3.32Å; A179-K182 PolarHBondContact O-N 3.3Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.96Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 3.37Å; K182-E185 WeakPolarHBondContact CD-OE2 3.48Å; K182-E185 IonicContact NZ-OE1 2.9Å; K182-E185 PolarHBondContact NZ-OE1 3.09Å; K182-E185 IonicContact NZ-OE2 2.78Å; K182-E185 PolarHBondContact NZ-OE2 3.29Å; K182-E185 PolarHBondContact O-N 3.38Å; K182-T186 WeakPolarHBondContact O-CB 3.28Å; K182-T186 PolarHBondContact O-N 3.09Å; K182-T186 PolarHBondContact O-OG1 2.9Å
183A99Very high98.3Very high0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-59.6-41.417600000112.1I161 F164 C165 A179 L180 L187 F259I161-A183 HydrophobicContact CB-CB 4.46Å; I161-A183 HydrophobicContact CG2-CB 3.97Å; F164-A183 HydrophobicContact CB-CB 3.73Å; C165-A183 HydrophobicContact CB-CB 4.42Å; A179-A183 VanDerWaalsContact O-CB 3.28Å; A179-A183 WeakPolarHBondContact O-CB 3.48Å; A179-A183 PolarHBondContact O-N 3.32Å; L180-A183 PolarHBondContact O-N 3.48Å; A183-L187 WeakPolarHBondContact O-CB 3.32Å; A183-L187 PolarHBondContact O-N 3.37Å; A183-F259 HydrophobicContact CB-CD2 4.05Å; A183-F259 HydrophobicContact CB-CE2 3.76Å; A183-F259 HydrophobicContact CB-CZ 4.35Å
184K98.9Very high98.4Very high40 Ų4044.7 Ų44.717%0.17424%0.239CC..Hα-helixtrans-65-45174.9-68.4179.1-179171.80112.1L180 S181 K182 T186 L187 L188 E258 F259 F262L180-K184 HydrophobicContact CD1-CG 4.45Å; L180-K184 WeakPolarHBondContact O-CG 3.03Å; L180-K184 PolarHBondContact O-N 3.17Å; L180-K184 VanDerWaalsContact O-N 3.09Å; S181-K184 PolarHBondContact O-N 3.03Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 3.37Å; K184-T186 PolarHBondContact O-N 2.58Å; K184-L187 WeakPolarHBondContact O-CB 3.3Å; K184-L187 PolarHBondContact O-N 3.41Å; K184-L188 WeakPolarHBondContact O-CG 3.18Å; K184-L188 PolarHBondContact O-N 2.84Å; K184-L188 VanDerWaalsContact O-N 3.08Å; K184-E258 IonicContact NZ-OE1 2.79Å; K184-E258 PolarHBondContact NZ-OE1 3.27Å; K184-F259 HydrophobicContact CG-CD2 4.04Å; K184-F259 HydrophobicContact CG-CE2 4.44Å; K184-F262 HydrophobicContact CB-CD1 4.09Å; K184-F262 HydrophobicContact CB-CE1 3.65Å; K184-F262 HydrophobicContact CB-CE2 4.48Å; K184-F262 HydrophobicContact CB-CZ 3.87Å; K184-F262 HydrophobicContact CD-CD1 4.27Å; K184-F262 HydrophobicContact CD-CD2 4.06Å; K184-F262 HydrophobicContact CD-CE1 4.44Å; K184-F262 HydrophobicContact CD-CE2 4.26Å; K184-F262 HydrophobicContact CD-CG 4.06Å; K184-F262 HydrophobicContact CD-CZ 4.43Å; K184-F262 HydrophobicContact CG-CD1 3.68Å; K184-F262 HydrophobicContact CG-CD2 4.36Å; K184-F262 HydrophobicContact CG-CE1 3.79Å; K184-F262 HydrophobicContact CG-CE2 4.47Å; K184-F262 HydrophobicContact CG-CG 3.96Å; K184-F262 HydrophobicContact CG-CZ 4.19Å
185E98.8Very high98.5Very high87 Ų8741.5 Ų41.541%0.40722%0.218SC..Hα-helixtrans-58.7-48.1176.6-172.7-156.214200110.9S181 K182 L187 L188 N189S181-E185 PolarHBondContact O-N 3.49Å; K182-E185 WeakPolarHBondContact CD-OE2 3.48Å; K182-E185 IonicContact NZ-OE1 2.9Å; K182-E185 PolarHBondContact NZ-OE1 3.09Å; K182-E185 IonicContact NZ-OE2 2.78Å; K182-E185 PolarHBondContact NZ-OE2 3.29Å; K182-E185 PolarHBondContact O-N 3.38Å; E185-L187 PolarHBondContact O-N 3.34Å; E185-L188 PolarHBondContact O-N 3.28Å; E185-N189 WeakPolarHBondContact CG-ND2 3.43Å; E185-N189 VanDerWaalsContact O-CB 3.31Å; E185-N189 WeakPolarHBondContact O-CB 3.28Å; E185-N189 PolarHBondContact O-N 2.94Å; E185-N189 PolarHBondContact O-ND2 3.43Å
186T98.8Very high98.6Very high1 Ų140.8 Ų40.81%0.00621%0.211CC..Hα-helixtrans-63.6-39.7177.7-71.40000111.9Y89 F164 K182 K184 L188 N189 D190 Y191Y89-T186 HydrophobicContact CD1-CG2 3.75Å; Y89-T186 HydrophobicContact CD2-CG2 3.85Å; Y89-T186 HydrophobicContact CE1-CG2 3.85Å; Y89-T186 HydrophobicContact CE2-CG2 3.95Å; Y89-T186 HydrophobicContact CG-CG2 3.76Å; F164-T186 VanDerWaalsContact O-CG2 3.28Å; F164-T186 WeakPolarHBondContact O-CG2 3.47Å; K182-T186 WeakPolarHBondContact O-CB 3.28Å; K182-T186 PolarHBondContact O-N 3.09Å; K182-T186 PolarHBondContact O-OG1 2.9Å; K184-T186 PolarHBondContact O-N 2.58Å; T186-L188 VanDerWaalsContact C-N 3.31Å; T186-L188 PolarHBondContact O-N 3.45Å; T186-N189 PolarHBondContact O-N 3.24Å; T186-D190 HydrophobicContact CG2-CB 4.24Å; T186-D190 WeakPolarHBondContact O-CB 3.34Å; T186-D190 PolarHBondContact O-N 3.35Å; T186-Y191 HydrophobicContact CG2-CD2 4.21Å; T186-Y191 HydrophobicContact CG2-CE2 3.78Å; T186-Y191 WeakPolarHBondContact O-CD2 3.17Å
187L98.8Very high98.5Very high11 Ų1139.8 Ų39.86%0.05821%0.206CC..Hα-helixtrans-56.9-45.4174-177.4152.3000111.6F164 A183 K184 E185 V194 F259 F262 A263 Q266F164-L187 HydrophobicContact CD1-CB 4.19Å; F164-L187 HydrophobicContact CE1-CB 4.3Å; F164-L187 HydrophobicContact CE1-CD1 4.28Å; F164-L187 HydrophobicContact CE1-CG 4.38Å; A183-L187 WeakPolarHBondContact O-CB 3.32Å; A183-L187 PolarHBondContact O-N 3.37Å; K184-L187 WeakPolarHBondContact O-CB 3.3Å; K184-L187 PolarHBondContact O-N 3.41Å; E185-L187 PolarHBondContact O-N 3.34Å; L187-V194 HydrophobicContact CD1-CB 3.99Å; L187-V194 HydrophobicContact CD1-CG1 3.98Å; L187-V194 HydrophobicContact CD1-CG2 3.96Å; L187-V194 HydrophobicContact CG-CB 4.23Å; L187-V194 HydrophobicContact CG-CG2 3.8Å; L187-F259 HydrophobicContact CB-CE2 4.47Å; L187-F259 HydrophobicContact CD1-CE2 4.07Å; L187-F259 HydrophobicContact CD1-CZ 3.86Å; L187-F262 HydrophobicContact CB-CE1 4.47Å; L187-F262 HydrophobicContact CD1-CD1 4.43Å; L187-F262 HydrophobicContact CD2-CD1 4.48Å; L187-F262 HydrophobicContact CD2-CE1 3.93Å; L187-A263 HydrophobicContact CD1-CB 3.57Å; L187-Q266 HydrophobicContact CD2-CB 4.23Å; L187-Q266 HydrophobicContact CD2-CG 4.06Å
188L98.6Very high98.4Very high88 Ų8840 Ų4046%0.46120%0.199SC..Hα-helixtrans-72.5-40.6-178.6-68179000113K184 E185 T186 F262 Q266K184-L188 WeakPolarHBondContact O-CG 3.18Å; K184-L188 PolarHBondContact O-N 2.84Å; K184-L188 VanDerWaalsContact O-N 3.08Å; E185-L188 PolarHBondContact O-N 3.28Å; T186-L188 VanDerWaalsContact C-N 3.31Å; T186-L188 PolarHBondContact O-N 3.45Å; L188-F262 HydrophobicContact CD1-CZ 3.81Å; L188-F262 HydrophobicContact CD2-CE1 4.32Å; L188-F262 HydrophobicContact CD2-CZ 3.9Å; L188-F262 HydrophobicContact CG-CE1 4.2Å; L188-F262 HydrophobicContact CG-CZ 3.76Å; L188-Q266 HydrophobicContact CD2-CG 3.85Å
189N98Very high98.2Very high107 Ų10736.6 Ų36.657%0.57219%0.188SC*.Hα-helixtrans-92.4-29.2-166.8-68.3-17.1000113.6E185 T186E185-N189 WeakPolarHBondContact CG-ND2 3.43Å; E185-N189 VanDerWaalsContact O-CB 3.31Å; E185-N189 WeakPolarHBondContact O-CB 3.28Å; E185-N189 PolarHBondContact O-N 2.94Å; E185-N189 PolarHBondContact O-ND2 3.43Å; T186-N189 PolarHBondContact O-N 3.24Å
190D98.4Very high98Very high38 Ų3837 Ų3720%0.20319%0.19CC..Hα-helixtrans-117.6-20.7-168.2-63.9-41.2000114.2Y89 T186Y89-D190 HydrophobicContact CE2-CB 3.81Å; Y89-D190 PolarHBondContact OH-OD2 2.8Å; T186-D190 HydrophobicContact CG2-CB 4.24Å; T186-D190 WeakPolarHBondContact O-CB 3.34Å; T186-D190 PolarHBondContact O-N 3.35Å
191Y98.7Very high97.7Very high16 Ų1641.3 Ų41.36%0.06321%0.21CC..EExtended strand (participates in β ladder)trans-95.6133.8177.9-73.3-108.5000110.9N23 Y89 Y102 N104 F164 T186 V194N23-Y191 VanDerWaalsContact CG-OH 3.25Å; N23-Y191 PolarHBondContact ND2-OH 2.89Å; N23-Y191 VanDerWaalsContact OD1-CE1 3.29Å; N23-Y191 WeakPolarHBondContact OD1-CE1 3.49Å; N23-Y191 PolarHBondContact OD1-OH 2.94Å; Y89-Y191 AromaticContact CD2-CE2 3.95Å; Y89-Y191 HydrophobicContact CD2-CE2 3.95Å; Y102-Y191 HydrophobicContact CD1-CE1 4.1Å; Y102-Y191 HydrophobicContact CG-CE1 4.33Å; Y102-Y191 HydrophobicContact CG-CE2 4.48Å; Y102-Y191 WeakPolarHBondContact O-CA 3.09Å; N104-Y191 HydrophobicContact CB-CD1 4.03Å; N104-Y191 HydrophobicContact CB-CE1 3.71Å; F164-Y191 AromaticContact CD1-CD2 3.94Å; F164-Y191 HydrophobicContact CD1-CD2 3.94Å; F164-Y191 HydrophobicContact CD1-CE1 4.23Å; F164-Y191 AromaticContact CD1-CE2 3.43Å; F164-Y191 HydrophobicContact CD1-CE2 3.43Å; F164-Y191 VanDerWaalsContact CD1-CE2 3.43Å; F164-Y191 AromaticContact CD1-CZ 3.56Å; F164-Y191 AromaticContact CE1-CD1 3.83Å; F164-Y191 HydrophobicContact CE1-CD1 3.83Å; F164-Y191 AromaticContact CE1-CD2 3.82Å; F164-Y191 HydrophobicContact CE1-CD2 3.82Å; F164-Y191 AromaticContact CE1-CE1 3.59Å; F164-Y191 HydrophobicContact CE1-CE1 3.59Å; F164-Y191 AromaticContact CE1-CE2 3.56Å; F164-Y191 HydrophobicContact CE1-CE2 3.56Å; F164-Y191 AromaticContact CE1-CG 3.95Å; F164-Y191 HydrophobicContact CE1-CG 3.95Å; F164-Y191 AromaticContact CE1-CZ 3.4Å; F164-Y191 VanDerWaalsContact CE1-CZ 3.4Å; F164-Y191 HydrophobicContact CZ-CE1 4.22Å; T186-Y191 HydrophobicContact CG2-CD2 4.21Å; T186-Y191 HydrophobicContact CG2-CE2 3.78Å; T186-Y191 WeakPolarHBondContact O-CD2 3.17Å; Y191-V194 HydrophobicContact CD1-CG2 3.74Å; Y191-V194 HydrophobicContact CG-CG2 3.85Å
192L97.7Very high97.4Very high78 Ų7840.1 Ų40.141%0.40820%0.198SC..EExtended strand (participates in β ladder)trans-68.2-44.5170.2174.667.9000111I101 Y102 I103 L211I101-L192 HydrophobicContact CG2-CB 3.56Å; I101-L192 HydrophobicContact CG2-CD2 3.56Å; I101-L192 HydrophobicContact CG2-CG 4.17Å; Y102-L192 PolarHBondContact O-N 3.34Å; I103-L192 HydrophobicContact CG2-CB 4.44Å; L192-L211 HydrophobicContact CD2-CD1 3.49Å; L192-L211 VanDerWaalsContact CD2-CD1 3.49Å; L192-L211 HydrophobicContact CD2-CD2 4.26Å; L192-L211 HydrophobicContact CD2-CG 3.81Å
193L98.4Very high97.3Very high10 Ų1037.4 Ų37.45%0.05219%0.186CC..EExtended strand (participates in β ladder)trans-151.7131.5-177.7-170.168.7000110.9I103 N104 F203 V206 L207 F267 V270I103-L193 CarbonylContact C-O 3.55Å; I103-L193 VanDerWaalsContact CA-O 3.31Å; I103-L193 WeakPolarHBondContact CA-O 3.21Å; N104-L193 PolarHBondContact N-O 2.85Å; L193-F203 HydrophobicContact CB-CE2 4.22Å; L193-F203 HydrophobicContact CD2-CD2 3.45Å; L193-F203 VanDerWaalsContact CD2-CD2 3.45Å; L193-F203 HydrophobicContact CD2-CE2 3.58Å; L193-F203 HydrophobicContact CD2-CG 4.38Å; L193-F203 HydrophobicContact CG-CD2 3.85Å; L193-F203 HydrophobicContact CG-CE2 3.75Å; L193-V206 HydrophobicContact CD1-CG1 3.93Å; L193-V206 HydrophobicContact CD2-CB 3.83Å; L193-V206 HydrophobicContact CD2-CG1 3.65Å; L193-V206 HydrophobicContact CG-CG1 4.44Å; L193-L207 HydrophobicContact CB-CD2 4.26Å; L193-L207 HydrophobicContact CD2-CD2 3.83Å; L193-L207 HydrophobicContact CD2-CG 3.85Å; L193-F267 HydrophobicContact CD1-CD2 3.88Å; L193-F267 HydrophobicContact CD1-CE2 4.11Å; L193-F267 HydrophobicContact CD2-CE2 4.38Å; L193-F267 HydrophobicContact CG-CD2 4.42Å; L193-F267 HydrophobicContact CG-CE2 4.45Å; L193-V270 HydrophobicContact CD1-CB 4.48Å; L193-V270 HydrophobicContact CD1-CG1 3.94Å
194V98.9Very high97.1Very high8 Ų837.4 Ų37.45%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-121.1111.5168.1-179.80000108.3N104 V106 F164 L187 Y191 A263 F267N104-V194 HydrophobicContact CB-CG1 4.39Å; N104-V194 HydrophobicContact CB-CG2 4.25Å; N104-V194 CarbonylContact O-C 3.5Å; N104-V194 VanDerWaalsContact O-CA 3.31Å; N104-V194 WeakPolarHBondContact O-CA 3.43Å; V106-V194 HydrophobicContact CG1-CG1 3.96Å; V106-V194 HydrophobicContact CG2-CG1 4.3Å; F164-V194 HydrophobicContact CE1-CG1 4.45Å; F164-V194 HydrophobicContact CE1-CG2 3.66Å; F164-V194 HydrophobicContact CZ-CB 4.49Å; F164-V194 HydrophobicContact CZ-CG1 3.81Å; F164-V194 HydrophobicContact CZ-CG2 3.8Å; L187-V194 HydrophobicContact CD1-CB 3.99Å; L187-V194 HydrophobicContact CD1-CG1 3.98Å; L187-V194 HydrophobicContact CD1-CG2 3.96Å; L187-V194 HydrophobicContact CG-CB 4.23Å; L187-V194 HydrophobicContact CG-CG2 3.8Å; Y191-V194 HydrophobicContact CD1-CG2 3.74Å; Y191-V194 HydrophobicContact CG-CG2 3.85Å; V194-A263 HydrophobicContact CG1-CB 4.12Å; V194-F267 WeakPolarHBondContact O-CB 3.36Å
195G98.5Very high96.8Very high0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans-93.8-179.8176.200000113.2N104 V105 V106 F203N104-G195 PolarHBondContact O-N 3.45Å; V105-G195 WeakPolarHBondContact CA-O 3.23Å; V106-G195 WeakPolarHBondContact CG2-O 3.18Å; V106-G195 PolarHBondContact N-O 3.28Å; G195-F203 VanDerWaalsContact CA-CD2 3.49Å
196I98.4Very high96.5Very high0 Ų033.6 Ų33.60%017%0.17CC..EExtended strand (participates in β ladder)trans-115.4150.4171.967.8175.7000110.7V106 E198 E199 Y260 K264 F267V106-I196 HydrophobicContact CG2-CG2 4.04Å; V106-I196 CarbonylContact O-C 3.39Å; V106-I196 WeakPolarHBondContact O-CA 3.48Å; I196-E198 HydrophobicContact CD1-CB 4.31Å; I196-E198 HydrophobicContact CG1-CB 4.49Å; I196-E198 PolarHBondContact O-N 3.1Å; I196-E199 HydrophobicContact CD1-CB 4.29Å; I196-E199 HydrophobicContact CD1-CG 3.97Å; I196-E199 WeakPolarHBondContact CD1-OE1 3.48Å; I196-E199 HydrophobicContact CG1-CB 3.83Å; I196-E199 HydrophobicContact CG1-CG 4.08Å; I196-E199 CarbonylContact O-C 3.1Å; I196-E199 PolarHBondContact O-N 3.15Å; I196-Y260 HydrophobicContact CB-CE2 4.09Å; I196-Y260 HydrophobicContact CG2-CE2 3.81Å; I196-K264 HydrophobicContact CD1-CD 4.04Å; I196-K264 HydrophobicContact CD1-CG 4.07Å; I196-K264 HydrophobicContact CG2-CB 3.99Å; I196-K264 HydrophobicContact CG2-CG 4.32Å; I196-F267 HydrophobicContact CG1-CD1 4.47Å
197T96.9Very high96.3Very high5 Ų533.6 Ų33.63%0.03117%0.17CC..G310 helixtrans-61.2-33.6-176.3-60.10000112.2T28 V106 R107 E199 L230T28-T197 VanDerWaalsContact C-OG1 3.24Å; T28-T197 WeakPolarHBondContact CA-OG1 3.28Å; T28-T197 PolarHBondContact O-OG1 2.97Å; V106-T197 PolarHBondContact O-N 2.83Å; V106-T197 PolarHBondContact O-OG1 2.83Å; R107-T197 WeakPolarHBondContact CB-OG1 3.47Å; R107-T197 HydrophobicContact CG-CG2 4.45Å; T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 PolarHBondContact O-N 2.95Å; T197-L230 HydrophobicContact CG2-CD1 4.4Å; T197-L230 HydrophobicContact CG2-CD2 4.41Å
198E94.6Very high96Very high96 Ų9634.9 Ų34.945%0.44918%0.176SC..G310 helixtrans-69.9-22.1-177.8-61.171.8-150.500112.9I196 Y260I196-E198 HydrophobicContact CD1-CB 4.31Å; I196-E198 HydrophobicContact CG1-CB 4.49Å; I196-E198 PolarHBondContact O-N 3.1Å; E198-Y260 PolarHBondContact OE2-OH 3.26Å
199E95.1Very high95.4Very high42 Ų4231.6 Ų31.620%0.19616%0.159CC..G310 helixtrans-122.741.6-177.6-65.3175-14000110.3I196 T197 E201 D202 F203 F267 H268 K271I196-E199 HydrophobicContact CD1-CB 4.29Å; I196-E199 HydrophobicContact CD1-CG 3.97Å; I196-E199 WeakPolarHBondContact CD1-OE1 3.48Å; I196-E199 HydrophobicContact CG1-CB 3.83Å; I196-E199 HydrophobicContact CG1-CG 4.08Å; I196-E199 CarbonylContact O-C 3.1Å; I196-E199 PolarHBondContact O-N 3.15Å; T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 PolarHBondContact O-N 2.95Å; E199-E201 VanDerWaalsContact C-N 3.28Å; E199-E201 PolarHBondContact O-N 3.36Å; E199-D202 HydrophobicContact CB-CB 4.31Å; E199-D202 PolarHBondContact O-N 2.82Å; E199-F203 PolarHBondContact O-N 3.34Å; E199-F267 HydrophobicContact CB-CE1 3.97Å; E199-H268 IonicContact OE1-CD2 3.87Å; E199-H268 IonicContact OE1-CE1 3.46Å; E199-H268 PolarHBondContact OE1-CE1 2.97Å; E199-H268 IonicContact OE1-NE2 2.73Å; E199-H268 PolarHBondContact OE1-NE2 3.24Å; E199-H268 IonicContact OE2-CD2 3.4Å; E199-H268 PolarHBondContact OE2-CD2 3.37Å; E199-H268 IonicContact OE2-NE2 2.99Å; E199-H268 PolarHBondContact OE2-NE2 3.46Å; E199-K271 IonicContact OE2-NZ 2.71Å; E199-K271 PolarHBondContact OE2-NZ 2.87Å
200L94.5Very high95Very high9 Ų927.9 Ų27.95%0.04714%0.143CC..Hα-helixtrans-63.4-32.4-174.3-171.962.9000113.1F33 V105 F203 V204 F228 L230F33-L200 HydrophobicContact CB-CD1 4.28Å; V105-L200 HydrophobicContact CG1-CD1 4.37Å; V105-L200 HydrophobicContact CG2-CD1 4.02Å; L200-F203 HydrophobicContact CD1-CD1 4.02Å; L200-F203 WeakPolarHBondContact O-CB 2.93Å; L200-F203 PolarHBondContact O-N 3.3Å; L200-V204 VanDerWaalsContact O-CG2 3.32Å; L200-V204 WeakPolarHBondContact O-CG2 3.27Å; L200-V204 PolarHBondContact O-N 3.09Å; L200-F228 HydrophobicContact CD2-CE2 3.98Å; L200-F228 HydrophobicContact CD2-CZ 4.22Å; L200-F228 HydrophobicContact CG-CE2 4.33Å; L200-F228 HydrophobicContact CG-CZ 4.36Å; L200-L230 HydrophobicContact CD2-CD1 4.23Å
201E93.1Very high94.7Very high101 Ų10126.1 Ų26.147%0.47213%0.134SC..Hα-helixtrans-64.4-44.6175.3-66.6-176.9-16600111.5E199 F203 V204 L205 I222 F228E199-E201 VanDerWaalsContact C-N 3.28Å; E199-E201 PolarHBondContact O-N 3.36Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 3.36Å; E201-V204 PolarHBondContact O-N 3.1Å; E201-L205 PolarHBondContact O-N 3.25Å; E201-I222 HydrophobicContact CG-CD1 4.42Å; E201-I222 HydrophobicContact CG-CG2 4.3Å; E201-F228 HydrophobicContact CG-CE1 3.5Å; E201-F228 VanDerWaalsContact CG-CE1 3.5Å; E201-F228 HydrophobicContact CG-CZ 3.66Å; E201-F228 WeakPolarHBondContact OE1-CE1 3.43Å
202D93.3Very high94.2Very high48 Ų4828.9 Ų28.926%0.25715%0.154SC..Hα-helixtrans-63.1-38.7175.4-71.1-19.3000111.3E199 V204 L205 V206 F267 K271E199-D202 HydrophobicContact CB-CB 4.31Å; E199-D202 PolarHBondContact O-N 2.82Å; D202-V204 VanDerWaalsContact C-N 3.32Å; D202-V204 PolarHBondContact O-N 3.1Å; D202-L205 PolarHBondContact O-N 3Å; D202-V206 WeakPolarHBondContact O-CG2 3.45Å; D202-V206 PolarHBondContact O-N 2.88Å; D202-F267 HydrophobicContact CB-CE1 4.21Å; D202-F267 HydrophobicContact CB-CZ 3.88Å; D202-K271 HydrophobicContact CB-CD 3.73Å; D202-K271 WeakPolarHBondContact OD2-CD 3.45Å; D202-K271 IonicContact OD2-NZ 2.7Å; D202-K271 PolarHBondContact OD2-NZ 3.01Å
203F96.4Very high93.9Very high0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-60.8-43.4175.5173.2-101.3000111.3F33 I103 N104 V105 L193 G195 E199 L200 E201 L207 F267F33-F203 HydrophobicContact CD2-CD1 4.26Å; F33-F203 HydrophobicContact CD2-CE1 4.03Å; F33-F203 HydrophobicContact CE1-CE1 4.32Å; F33-F203 HydrophobicContact CE2-CD1 4.17Å; F33-F203 AromaticContact CE2-CE1 3.72Å; F33-F203 HydrophobicContact CE2-CE1 3.72Å; F33-F203 HydrophobicContact CG-CE1 4.47Å; F33-F203 AromaticContact CZ-CE1 3.86Å; F33-F203 HydrophobicContact CZ-CE1 3.86Å; I103-F203 HydrophobicContact CB-CZ 4.32Å; I103-F203 HydrophobicContact CD1-CZ 4.46Å; N104-F203 WeakPolarHBondContact O-CE2 3.31Å; N104-F203 WeakPolarHBondContact O-CZ 3.33Å; V105-F203 HydrophobicContact CG2-CD1 3.72Å; V105-F203 HydrophobicContact CG2-CD2 4.32Å; V105-F203 HydrophobicContact CG2-CE1 3.49Å; V105-F203 VanDerWaalsContact CG2-CE1 3.49Å; V105-F203 HydrophobicContact CG2-CE2 4.12Å; V105-F203 HydrophobicContact CG2-CG 4.12Å; V105-F203 HydrophobicContact CG2-CZ 3.7Å; L193-F203 HydrophobicContact CB-CE2 4.22Å; L193-F203 HydrophobicContact CD2-CD2 3.45Å; L193-F203 VanDerWaalsContact CD2-CD2 3.45Å; L193-F203 HydrophobicContact CD2-CE2 3.58Å; L193-F203 HydrophobicContact CD2-CG 4.38Å; L193-F203 HydrophobicContact CG-CD2 3.85Å; L193-F203 HydrophobicContact CG-CE2 3.75Å; G195-F203 VanDerWaalsContact CA-CD2 3.49Å; E199-F203 PolarHBondContact O-N 3.34Å; L200-F203 HydrophobicContact CD1-CD1 4.02Å; L200-F203 WeakPolarHBondContact O-CB 2.93Å; L200-F203 PolarHBondContact O-N 3.3Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 3.36Å; F203-L207 HydrophobicContact CD1-CD1 4.03Å; F203-L207 HydrophobicContact CE1-CD1 3.45Å; F203-L207 VanDerWaalsContact CE1-CD1 3.45Å; F203-L207 HydrophobicContact CE1-CG 4.45Å; F203-L207 HydrophobicContact CE2-CD1 4.24Å; F203-L207 HydrophobicContact CZ-CD1 3.58Å; F203-L207 HydrophobicContact CZ-CG 4.35Å; F203-L207 WeakPolarHBondContact O-CG 3.44Å; F203-L207 PolarHBondContact O-N 2.95Å; F203-L207 VanDerWaalsContact O-N 3.16Å; F203-F267 HydrophobicContact CB-CE2 4.23Å; F203-F267 HydrophobicContact CB-CZ 4.05Å; F203-F267 HydrophobicContact CD2-CE2 4.32Å
204V94.6Very high93.7Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-65.8-42176.3173.10000111.3F33 I36 L200 E201 D202 V206 L207 E208 A218 M219 I222F33-V204 HydrophobicContact CD2-CG2 3.76Å; F33-V204 HydrophobicContact CE2-CG2 4Å; I36-V204 HydrophobicContact CD1-CG1 4.29Å; I36-V204 HydrophobicContact CD1-CG2 3.75Å; L200-V204 VanDerWaalsContact O-CG2 3.32Å; L200-V204 WeakPolarHBondContact O-CG2 3.27Å; L200-V204 PolarHBondContact O-N 3.09Å; E201-V204 PolarHBondContact O-N 3.1Å; D202-V204 VanDerWaalsContact C-N 3.32Å; D202-V204 PolarHBondContact O-N 3.1Å; V204-V206 PolarHBondContact O-N 3.46Å; V204-L207 PolarHBondContact O-N 3.44Å; V204-E208 PolarHBondContact O-N 3.08Å; V204-A218 HydrophobicContact CG1-CB 3.4Å; V204-A218 VanDerWaalsContact CG1-CB 3.4Å; V204-M219 HydrophobicContact CB-SD 4.31Å; V204-M219 HydrophobicContact CG1-SD 3.99Å; V204-I222 HydrophobicContact CB-CD1 3.83Å; V204-I222 HydrophobicContact CG1-CD1 3.65Å; V204-I222 HydrophobicContact CG2-CD1 4.13Å
205L92.3Very high93.5Very high45 Ų4526 Ų2624%0.23614%0.142CC..Hα-helixtrans-58.2-49.8176.9175.160.9000111.3E201 D202 L207 E208 V209 M219 L275E201-L205 PolarHBondContact O-N 3.25Å; D202-L205 PolarHBondContact O-N 3Å; L205-L207 VanDerWaalsContact C-N 3.27Å; L205-L207 PolarHBondContact O-N 2.79Å; L205-E208 PolarHBondContact O-N 2.92Å; L205-V209 HydrophobicContact CD1-CG2 4.43Å; L205-V209 WeakPolarHBondContact O-CG2 3.48Å; L205-V209 PolarHBondContact O-N 3.29Å; L205-V209 VanDerWaalsContact O-N 3.07Å; L205-M219 HydrophobicContact CB-CE 4.42Å; L205-M219 HydrophobicContact CB-CG 4.29Å; L205-M219 HydrophobicContact CB-SD 3.78Å; L205-M219 HydrophobicContact CD1-CG 3.9Å; L205-M219 HydrophobicContact CD1-SD 4.47Å; L205-L275 HydrophobicContact CD2-CD1 3.91Å; L205-L275 HydrophobicContact CD2-CD2 3.73Å; L205-L275 HydrophobicContact CG-CD2 4.05Å
206V93.2Very high93.2Very high3 Ų327.3 Ų27.32%0.01815%0.152CC..Hα-helixtrans-61-38179.1176.80000111L193 D202 V204 V209 A210 V270 K271L193-V206 HydrophobicContact CD1-CG1 3.93Å; L193-V206 HydrophobicContact CD2-CB 3.83Å; L193-V206 HydrophobicContact CD2-CG1 3.65Å; L193-V206 HydrophobicContact CG-CG1 4.44Å; D202-V206 WeakPolarHBondContact O-CG2 3.45Å; D202-V206 PolarHBondContact O-N 2.88Å; V204-V206 PolarHBondContact O-N 3.46Å; V206-V209 PolarHBondContact O-N 3.36Å; V206-A210 VanDerWaalsContact O-CB 3.24Å; V206-A210 WeakPolarHBondContact O-CB 3.05Å; V206-A210 PolarHBondContact O-N 3.33Å; V206-V270 HydrophobicContact CG1-CG1 4.28Å; V206-K271 HydrophobicContact CG2-CG 4.49Å
207L94.7Very high92.8Very high0 Ų028.2 Ų28.20%016%0.162CC..Hα-helixtrans-68-40.2175.5-71.1178.8000113.5F33 I103 L193 F203 V204 L205 V209 A210 L211 F215F33-L207 HydrophobicContact CE2-CD1 3.78Å; F33-L207 HydrophobicContact CZ-CD1 3.65Å; I103-L207 HydrophobicContact CD1-CD1 4.01Å; I103-L207 HydrophobicContact CG2-CD2 3.93Å; L193-L207 HydrophobicContact CB-CD2 4.26Å; L193-L207 HydrophobicContact CD2-CD2 3.83Å; L193-L207 HydrophobicContact CD2-CG 3.85Å; F203-L207 HydrophobicContact CD1-CD1 4.03Å; F203-L207 HydrophobicContact CE1-CD1 3.45Å; F203-L207 VanDerWaalsContact CE1-CD1 3.45Å; F203-L207 HydrophobicContact CE1-CG 4.45Å; F203-L207 HydrophobicContact CE2-CD1 4.24Å; F203-L207 HydrophobicContact CZ-CD1 3.58Å; F203-L207 HydrophobicContact CZ-CG 4.35Å; F203-L207 WeakPolarHBondContact O-CG 3.44Å; F203-L207 PolarHBondContact O-N 2.95Å; F203-L207 VanDerWaalsContact O-N 3.16Å; V204-L207 PolarHBondContact O-N 3.44Å; L205-L207 VanDerWaalsContact C-N 3.27Å; L205-L207 PolarHBondContact O-N 2.79Å; L207-V209 PolarHBondContact O-N 2.94Å; L207-A210 PolarHBondContact O-N 3.12Å; L207-L211 PolarHBondContact O-N 3.19Å; L207-F215 HydrophobicContact CB-CB 4.42Å; L207-F215 HydrophobicContact CB-CD1 4.25Å; L207-F215 HydrophobicContact CB-CD2 3.86Å; L207-F215 HydrophobicContact CB-CE1 4.48Å; L207-F215 HydrophobicContact CB-CE2 4.11Å; L207-F215 HydrophobicContact CB-CG 3.93Å; L207-F215 HydrophobicContact CB-CZ 4.42Å; L207-F215 HydrophobicContact CD1-CE1 4.02Å; L207-F215 HydrophobicContact CD1-CE2 4.29Å; L207-F215 HydrophobicContact CD1-CZ 3.9Å; L207-F215 HydrophobicContact CD2-CE2 4.33Å; L207-F215 HydrophobicContact CG-CE2 4.49Å
208E91.9Very high92.7Very high39 Ų3928 Ų2818%0.18216%0.16CC..Hα-helixtrans-58.3-39.5174.5177.6160.1-167.100111.5V204 L205 P212 F215 G217 A218 M219V204-E208 PolarHBondContact O-N 3.08Å; L205-E208 PolarHBondContact O-N 2.92Å; E208-P212 WeakPolarHBondContact O-CA 3.43Å; E208-F215 HydrophobicContact CB-CB 4.25Å; E208-F215 WeakPolarHBondContact CB-O 3.45Å; E208-F215 VanDerWaalsContact CG-O 3.3Å; E208-F215 WeakPolarHBondContact CG-O 3.25Å; E208-G217 PolarHBondContact OE1-N 3.3Å; E208-A218 HydrophobicContact CB-CB 4.34Å; E208-A218 PolarHBondContact OE2-N 3.02Å; E208-M219 VanDerWaalsContact OE2-CB 3.31Å; E208-M219 WeakPolarHBondContact OE2-CB 3.37Å; E208-M219 WeakPolarHBondContact OE2-CG 3.43Å; E208-M219 PolarHBondContact OE2-N 3.25Å
209V86.8Confident92.5Very high18 Ų1825 Ų2511%0.10915%0.147CC..Hα-helixtrans-71.6-48.3176.1170.80000112.6L205 V206 L207 F274 I278 Y289L205-V209 HydrophobicContact CD1-CG2 4.43Å; L205-V209 WeakPolarHBondContact O-CG2 3.48Å; L205-V209 PolarHBondContact O-N 3.29Å; L205-V209 VanDerWaalsContact O-N 3.07Å; V206-V209 PolarHBondContact O-N 3.36Å; L207-V209 PolarHBondContact O-N 2.94Å; V209-F274 HydrophobicContact CG1-CD1 3.85Å; V209-F274 HydrophobicContact CG1-CE1 4.31Å; V209-I278 HydrophobicContact CG2-CD1 4.35Å; V209-Y289 HydrophobicContact CB-CD2 4.41Å; V209-Y289 HydrophobicContact CB-CE2 3.78Å; V209-Y289 HydrophobicContact CG1-CD1 4.43Å; V209-Y289 HydrophobicContact CG1-CD2 3.5Å; V209-Y289 VanDerWaalsContact CG1-CD2 3.5Å; V209-Y289 HydrophobicContact CG1-CE1 4.3Å; V209-Y289 HydrophobicContact CG1-CE2 3.3Å; V209-Y289 HydrophobicContact CG1-CG 4.06Å; V209-Y289 HydrophobicContact CG2-CE1 4.41Å; V209-Y289 HydrophobicContact CG2-CE2 3.51Å; V209-Y289 VanDerWaalsContact CG2-CZ 3.41Å; V209-Y289 WeakPolarHBondContact CG2-OH 3.41Å
210A88.7Confident92.3Very high29 Ų2928.7 Ų28.724%0.2416%0.164CC..Hα-helixtrans-75.4-33.7-172.300000113.1V206 L207 F274V206-A210 VanDerWaalsContact O-CB 3.24Å; V206-A210 WeakPolarHBondContact O-CB 3.05Å; V206-A210 PolarHBondContact O-N 3.33Å; L207-A210 PolarHBondContact O-N 3.12Å; A210-F274 HydrophobicContact CB-CE1 4.32Å
211L91.5Very high92Very high1 Ų129.4 Ų29.41%0.00517%0.169CC..  trans-133.861.1-173.9-66.9178.5000111.2W13 V20 I101 L192 L207 S213 I214 F215W13-L211 HydrophobicContact CD2-CD2 4.45Å; W13-L211 HydrophobicContact CE3-CD2 4.13Å; W13-L211 HydrophobicContact CH2-CD2 3.61Å; W13-L211 HydrophobicContact CZ2-CD2 3.96Å; W13-L211 HydrophobicContact CZ3-CD2 3.68Å; V20-L211 HydrophobicContact CG2-CD1 4.1Å; I101-L211 HydrophobicContact CD1-CD1 4.23Å; I101-L211 HydrophobicContact CD1-CD2 4Å; I101-L211 HydrophobicContact CG2-CD1 4.24Å; L192-L211 HydrophobicContact CD2-CD1 3.49Å; L192-L211 VanDerWaalsContact CD2-CD1 3.49Å; L192-L211 HydrophobicContact CD2-CD2 4.26Å; L192-L211 HydrophobicContact CD2-CG 3.81Å; L207-L211 PolarHBondContact O-N 3.19Å; L211-S213 PolarHBondContact O-N 3.45Å; L211-S213 VanDerWaalsContact O-N 3.11Å; L211-I214 PolarHBondContact O-N 3.39Å; L211-F215 HydrophobicContact CB-CD2 3.74Å; L211-F215 HydrophobicContact CB-CE2 4.09Å; L211-F215 HydrophobicContact CD1-CD2 4.46Å; L211-F215 HydrophobicContact CD1-CE2 3.98Å; L211-F215 PolarHBondContact O-N 3.4Å
212P89.9Confident91.8Very high74 Ų7425.2 Ų25.248%0.48115%0.15SC..Hα-helixtrans-62.6-24.9-172.925-35.3000113.3E208 I214 A216E208-P212 WeakPolarHBondContact O-CA 3.43Å; P212-I214 PolarHBondContact O-N 3.28Å; P212-A216 WeakPolarHBondContact O-CB 3.5Å; P212-A216 PolarHBondContact O-N 2.9Å
213S90.2Very high91.5Very high36 Ų3630.5 Ų30.525%0.25217%0.17SC..Hα-helixtrans-65.4-19.8175.6640000113.8L211L211-S213 PolarHBondContact O-N 3.45Å; L211-S213 VanDerWaalsContact O-N 3.11Å
214I94.6Very high90.9Very high1 Ų134.4 Ų34.41%0.00520%0.198CC..Hα-helixtrans-107.3-41.4176.7-58.5-61000110.3T18 V20 N44 F46 P80 V82 L211 P212T18-I214 HydrophobicContact CG2-CG1 4.29Å; V20-I214 HydrophobicContact CG2-CG1 4.46Å; N44-I214 PolarHBondContact ND2-O 2.68Å; F46-I214 HydrophobicContact CB-CD1 3.78Å; F46-I214 HydrophobicContact CD1-CD1 3.99Å; F46-I214 HydrophobicContact CD1-CG2 4.26Å; F46-I214 HydrophobicContact CD2-CD1 4.4Å; F46-I214 HydrophobicContact CD2-CG2 4.47Å; F46-I214 HydrophobicContact CE1-CG2 3.95Å; F46-I214 WeakPolarHBondContact CE1-O 3.28Å; F46-I214 HydrophobicContact CE2-CG2 4.17Å; F46-I214 HydrophobicContact CG-CD1 3.82Å; F46-I214 HydrophobicContact CZ-CG2 3.91Å; P80-I214 HydrophobicContact CB-CD1 4.13Å; V82-I214 HydrophobicContact CG2-CG2 3.55Å; L211-I214 PolarHBondContact O-N 3.39Å; P212-I214 PolarHBondContact O-N 3.28Å
215F94Very high89.7Confident0 Ų036.8 Ų36.80%022%0.222CC..Hα-helixtrans-111.26.7-166.5-61.1-79.9000115.1F33 V37 I103 L207 E208 L211 G217 A218F33-F215 HydrophobicContact CE2-CE1 4.14Å; F33-F215 AromaticContact CZ-CE1 3.7Å; F33-F215 HydrophobicContact CZ-CE1 3.7Å; F33-F215 HydrophobicContact CZ-CZ 4.2Å; V37-F215 HydrophobicContact CG2-CE1 3.99Å; I103-F215 HydrophobicContact CD1-CZ 4.16Å; L207-F215 HydrophobicContact CB-CB 4.42Å; L207-F215 HydrophobicContact CB-CD1 4.25Å; L207-F215 HydrophobicContact CB-CD2 3.86Å; L207-F215 HydrophobicContact CB-CE1 4.48Å; L207-F215 HydrophobicContact CB-CE2 4.11Å; L207-F215 HydrophobicContact CB-CG 3.93Å; L207-F215 HydrophobicContact CB-CZ 4.42Å; L207-F215 HydrophobicContact CD1-CE1 4.02Å; L207-F215 HydrophobicContact CD1-CE2 4.29Å; L207-F215 HydrophobicContact CD1-CZ 3.9Å; L207-F215 HydrophobicContact CD2-CE2 4.33Å; L207-F215 HydrophobicContact CG-CE2 4.49Å; E208-F215 HydrophobicContact CB-CB 4.25Å; E208-F215 WeakPolarHBondContact CB-O 3.45Å; E208-F215 VanDerWaalsContact CG-O 3.3Å; E208-F215 WeakPolarHBondContact CG-O 3.25Å; L211-F215 HydrophobicContact CB-CD2 3.74Å; L211-F215 HydrophobicContact CB-CE2 4.09Å; L211-F215 HydrophobicContact CD1-CD2 4.46Å; L211-F215 HydrophobicContact CD1-CE2 3.98Å; L211-F215 PolarHBondContact O-N 3.4Å; F215-G217 PolarHBondContact O-N 3.35Å; F215-A218 HydrophobicContact CB-CB 4.5Å; F215-A218 WeakPolarHBondContact O-CB 3.32Å; F215-A218 PolarHBondContact O-N 3.4Å; F215-A218 VanDerWaalsContact O-N 3.09Å
216A92Very high88.1Confident26 Ų2638.7 Ų38.722%0.21524%0.244CC..THydrogen-bonded Turntrans-57.6132.4173.200000111.3L40 N44 P212L40-A216 WeakPolarHBondContact CD2-O 3.35Å; N44-A216 PolarHBondContact ND2-N 3.41Å; N44-A216 PolarHBondContact ND2-O 3.29Å; N44-A216 PolarHBondContact OD1-O 3.07Å; P212-A216 WeakPolarHBondContact O-CB 3.5Å; P212-A216 PolarHBondContact O-N 2.9Å
217G91.6Very high86.6Confident20 Ų2044.6 Ų44.621%0.20627%0.27CS..THydrogen-bonded Turntrans85.73.7-176.500000114.3E208 F215 E220 T221E208-G217 PolarHBondContact OE1-N 3.3Å; F215-G217 PolarHBondContact O-N 3.35Å; G217-E220 PolarHBondContact O-N 2.94Å; G217-T221 PolarHBondContact O-N 3.03Å; G217-T221 PolarHBondContact O-OG1 3.37Å
218A93.2Very high85.3Confident0 Ų046.2 Ų46.20%028%0.277CS..Hα-helixtrans-63.9-45.9-178.800000112.3I36 L40 V204 E208 F215 E220 T221 I222I36-A218 HydrophobicContact CG2-CB 3.92Å; L40-A218 HydrophobicContact CD1-CB 3.68Å; V204-A218 HydrophobicContact CG1-CB 3.4Å; V204-A218 VanDerWaalsContact CG1-CB 3.4Å; E208-A218 HydrophobicContact CB-CB 4.34Å; E208-A218 PolarHBondContact OE2-N 3.02Å; F215-A218 HydrophobicContact CB-CB 4.5Å; F215-A218 WeakPolarHBondContact O-CB 3.32Å; F215-A218 PolarHBondContact O-N 3.4Å; F215-A218 VanDerWaalsContact O-N 3.09Å; A218-E220 VanDerWaalsContact C-N 3.27Å; A218-E220 PolarHBondContact O-N 2.98Å; A218-T221 WeakPolarHBondContact O-CB 3.42Å; A218-T221 PolarHBondContact O-N 3.06Å; A218-T221 VanDerWaalsContact O-N 3.16Å; A218-I222 PolarHBondContact O-N 2.99Å
219M91.8Very high84.3Confident34 Ų3447.9 Ų47.917%0.16729%0.293CS..Hα-helixtrans-66.8-29.8177.9-67.8-48.6-65.800112.3V204 L205 E208 I222 K223V204-M219 HydrophobicContact CB-SD 4.31Å; V204-M219 HydrophobicContact CG1-SD 3.99Å; L205-M219 HydrophobicContact CB-CE 4.42Å; L205-M219 HydrophobicContact CB-CG 4.29Å; L205-M219 HydrophobicContact CB-SD 3.78Å; L205-M219 HydrophobicContact CD1-CG 3.9Å; L205-M219 HydrophobicContact CD1-SD 4.47Å; E208-M219 VanDerWaalsContact OE2-CB 3.31Å; E208-M219 WeakPolarHBondContact OE2-CB 3.37Å; E208-M219 WeakPolarHBondContact OE2-CG 3.43Å; E208-M219 PolarHBondContact OE2-N 3.25Å; M219-I222 HydrophobicContact CE-CD1 4.29Å; M219-I222 PolarHBondContact O-N 3.49Å; M219-I222 HydrophobicContact SD-CD1 3.85Å; M219-K223 WeakPolarHBondContact O-CB 3.15Å; M219-K223 VanDerWaalsContact O-CG 3.27Å; M219-K223 WeakPolarHBondContact O-CG 3.41Å; M219-K223 PolarHBondContact O-N 3.46Å
220E90.9Very high83.8Confident118 Ų11850.2 Ų50.255%0.55130%0.304SS*.Hα-helixtrans-68.6-40.2172.3-172.7174.9179.400111.5G217 A218 I222 K223 S224G217-E220 PolarHBondContact O-N 2.94Å; A218-E220 VanDerWaalsContact C-N 3.27Å; A218-E220 PolarHBondContact O-N 2.98Å; E220-I222 VanDerWaalsContact C-N 3.28Å; E220-I222 PolarHBondContact O-N 3.11Å; E220-K223 PolarHBondContact O-N 3.35Å; E220-S224 WeakPolarHBondContact O-CB 3.2Å; E220-S224 PolarHBondContact O-N 3.45Å; E220-S224 PolarHBondContact O-OG 3.15Å; E220-S224 VanDerWaalsContact O-OG 3.11Å
221T88.3Confident83.5Confident24 Ų2451.3 Ų51.315%0.14730%0.302CS..Hα-helixtrans-60-39172.8-55.10000111.4I36 D39 G217 A218 S224I36-T221 HydrophobicContact CG1-CG2 4.46Å; I36-T221 HydrophobicContact CG2-CG2 4.37Å; D39-T221 HydrophobicContact CB-CG2 4.1Å; G217-T221 PolarHBondContact O-N 3.03Å; G217-T221 PolarHBondContact O-OG1 3.37Å; A218-T221 WeakPolarHBondContact O-CB 3.42Å; A218-T221 PolarHBondContact O-N 3.06Å; A218-T221 VanDerWaalsContact O-N 3.16Å; T221-S224 PolarHBondContact O-OG 3.43Å
222I88.6Confident83.3Confident14 Ų1458.1 Ų58.17%0.07233%0.332CS..Hα-helixtrans-64.3-52.6173.3-70.1174.3000111I36 E201 V204 A218 M219 E220 S224 G225 F228I36-I222 HydrophobicContact CD1-CD1 3.86Å; I36-I222 HydrophobicContact CD1-CG1 3.74Å; I36-I222 HydrophobicContact CG1-CG1 4.31Å; E201-I222 HydrophobicContact CG-CD1 4.42Å; E201-I222 HydrophobicContact CG-CG2 4.3Å; V204-I222 HydrophobicContact CB-CD1 3.83Å; V204-I222 HydrophobicContact CG1-CD1 3.65Å; V204-I222 HydrophobicContact CG2-CD1 4.13Å; A218-I222 PolarHBondContact O-N 2.99Å; M219-I222 HydrophobicContact CE-CD1 4.29Å; M219-I222 PolarHBondContact O-N 3.49Å; M219-I222 HydrophobicContact SD-CD1 3.85Å; E220-I222 VanDerWaalsContact C-N 3.28Å; E220-I222 PolarHBondContact O-N 3.11Å; I222-S224 VanDerWaalsContact C-N 3.34Å; I222-S224 PolarHBondContact O-N 3.49Å; I222-G225 PolarHBondContact O-N 2.96Å; I222-F228 HydrophobicContact CB-CB 4.41Å; I222-F228 HydrophobicContact CB-CD1 4.25Å; I222-F228 HydrophobicContact CB-CG 4.25Å; I222-F228 HydrophobicContact CD1-CD2 4.32Å; I222-F228 HydrophobicContact CD1-CE1 4.42Å; I222-F228 HydrophobicContact CD1-CE2 4.1Å; I222-F228 HydrophobicContact CD1-CZ 4.15Å; I222-F228 HydrophobicContact CG1-CB 4.15Å; I222-F228 HydrophobicContact CG1-CD1 4.03Å; I222-F228 HydrophobicContact CG1-CD2 3.81Å; I222-F228 HydrophobicContact CG1-CE1 4.33Å; I222-F228 HydrophobicContact CG1-CE2 4.11Å; I222-F228 HydrophobicContact CG1-CG 3.73Å; I222-F228 HydrophobicContact CG1-CZ 4.35Å; I222-F228 HydrophobicContact CG2-CD1 3.62Å; I222-F228 HydrophobicContact CG2-CE1 3.93Å; I222-F228 HydrophobicContact CG2-CG 4.13Å
223K87Confident83.2Confident158 Ų15855.4 Ų55.469%0.68731%0.314SS*.Hα-helixtrans-62.3-36.6-176.3-74.8174.5-175.5-1790113.6M219 E220 G225M219-K223 WeakPolarHBondContact O-CB 3.15Å; M219-K223 VanDerWaalsContact O-CG 3.27Å; M219-K223 WeakPolarHBondContact O-CG 3.41Å; M219-K223 PolarHBondContact O-N 3.46Å; E220-K223 PolarHBondContact O-N 3.35Å; K223-G225 PolarHBondContact O-N 2.85Å
224S83.1Confident83.1Confident83 Ų8356.5 Ų56.558%0.5832%0.317SS*.THydrogen-bonded Turntrans-68.2-11.117760.90000113.5E220 T221 I222 A226E220-S224 WeakPolarHBondContact O-CB 3.2Å; E220-S224 PolarHBondContact O-N 3.45Å; E220-S224 PolarHBondContact O-OG 3.15Å; E220-S224 VanDerWaalsContact O-OG 3.11Å; T221-S224 PolarHBondContact O-OG 3.43Å; I222-S224 VanDerWaalsContact C-N 3.34Å; I222-S224 PolarHBondContact O-N 3.49Å; S224-A226 PolarHBondContact O-N 3.43Å
225G69.2Low82.9Confident49 Ų4961.9 Ų61.951%0.50535%0.345SS..  trans69.6-13.2168.700000116I222 K223 K227I222-G225 PolarHBondContact O-N 2.96Å; K223-G225 PolarHBondContact O-N 2.85Å; G225-K227 PolarHBondContact O-N 3.32Å
226A58.9Low82.9Confident85 Ų8565.9 Ų65.970%0.70236%0.363SS*.SBendtrans-58.5-26.5-169.600000113.6S224S224-A226 PolarHBondContact O-N 3.43Å
227K61.7Low82.9Confident128 Ų12868.1 Ų68.156%0.55737%0.374SS*.SBendtrans-143.9-9.3-172.2-68.6172.6-179-179.80115.3D39 G225 S229D39-K227 VanDerWaalsContact CG-CD 3.46Å; D39-K227 WeakPolarHBondContact OD1-CD 3.49Å; D39-K227 IonicContact OD1-NZ 2.59Å; D39-K227 PolarHBondContact OD1-NZ 3.31Å; D39-K227 WeakPolarHBondContact OD2-CD 3.45Å; D39-K227 IonicContact OD2-NZ 3.9Å; G225-K227 PolarHBondContact O-N 3.32Å; K227-S229 PolarHBondContact O-N 3.22Å
228F67Low83.1Confident34 Ų3471 Ų7115%0.14940%0.395CS..  trans-91.783.7178.1-170.5-104.2000111.1I36 L200 E201 I222I36-F228 HydrophobicContact CD1-CD2 3.44Å; I36-F228 VanDerWaalsContact CD1-CD2 3.44Å; I36-F228 HydrophobicContact CD1-CE2 3.63Å; I36-F228 HydrophobicContact CD1-CG 4.5Å; I36-F228 HydrophobicContact CG1-CD2 3.97Å; L200-F228 HydrophobicContact CD2-CE2 3.98Å; L200-F228 HydrophobicContact CD2-CZ 4.22Å; L200-F228 HydrophobicContact CG-CE2 4.33Å; L200-F228 HydrophobicContact CG-CZ 4.36Å; E201-F228 HydrophobicContact CG-CE1 3.5Å; E201-F228 VanDerWaalsContact CG-CE1 3.5Å; E201-F228 HydrophobicContact CG-CZ 3.66Å; E201-F228 WeakPolarHBondContact OE1-CE1 3.43Å; I222-F228 HydrophobicContact CB-CB 4.41Å; I222-F228 HydrophobicContact CB-CD1 4.25Å; I222-F228 HydrophobicContact CB-CG 4.25Å; I222-F228 HydrophobicContact CD1-CD2 4.32Å; I222-F228 HydrophobicContact CD1-CE1 4.42Å; I222-F228 HydrophobicContact CD1-CE2 4.1Å; I222-F228 HydrophobicContact CD1-CZ 4.15Å; I222-F228 HydrophobicContact CG1-CB 4.15Å; I222-F228 HydrophobicContact CG1-CD1 4.03Å; I222-F228 HydrophobicContact CG1-CD2 3.81Å; I222-F228 HydrophobicContact CG1-CE1 4.33Å; I222-F228 HydrophobicContact CG1-CE2 4.11Å; I222-F228 HydrophobicContact CG1-CG 3.73Å; I222-F228 HydrophobicContact CG1-CZ 4.35Å; I222-F228 HydrophobicContact CG2-CD1 3.62Å; I222-F228 HydrophobicContact CG2-CE1 3.93Å; I222-F228 HydrophobicContact CG2-CG 4.13Å
229S71.8Confident83.2Confident74 Ų7471.7 Ų71.752%0.51740%0.4SS..  trans-123.3129.4161.91790000108.6S32 K227 R231S32-S229 WeakPolarHBondContact CB-O 3.05Å; S32-S229 PolarHBondContact OG-O 3.09Å; K227-S229 PolarHBondContact O-N 3.22Å; S229-R231 PolarHBondContact O-N 3.29Å
230L76.6Confident83.5Confident67 Ų6772.1 Ų72.135%0.35141%0.406SS..  trans-64.8110.1172.3-17368.1000108S32 T197 L200 K232S32-L230 WeakPolarHBondContact OG-CA 3.49Å; T197-L230 HydrophobicContact CG2-CD1 4.4Å; T197-L230 HydrophobicContact CG2-CD2 4.41Å; L200-L230 HydrophobicContact CD2-CD1 4.23Å; L230-K232 WeakPolarHBondContact O-CG 3.45Å; L230-K232 PolarHBondContact O-N 3.49Å
231R82.6Confident83.7Confident52 Ų5269 Ų6920%0.19641%0.405CS..PPolyproline II helixtrans-58.3128.8-176.3-64.3-176.2-173.2-162.2-1.6110.9T31 S32 D124 D125 F126 S229T31-R231 VanDerWaalsContact CG2-NH1 3.26Å; S32-R231 PolarHBondContact OG-N 3.02Å; S32-R231 VanDerWaalsContact OG-N 3.15Å; D124-R231 IonicContact OD2-NH1 3.88Å; D125-R231 WeakPolarHBondContact OD1-CA 3.39Å; F126-R231 HydrophobicContact CB-CG 4.02Å; F126-R231 VanDerWaalsContact CE1-CZ 3.45Å; F126-R231 VanDerWaalsContact CE2-NH2 3.31Å; F126-R231 VanDerWaalsContact CG-NH1 3.32Å; F126-R231 VanDerWaalsContact CG-NH2 3.34Å; S229-R231 PolarHBondContact O-N 3.29Å
232K86.7Confident84.1Confident144 Ų14475.2 Ų75.263%0.62643%0.433SS*.PPolyproline II helixtrans-101.5137.3-178.5-60.3-178.7-175.9173.60110.1D124 D125 L230 L234D124-K232 WeakPolarHBondContact CA-O 3.3Å; D125-K232 PolarHBondContact N-O 3.41Å; D125-K232 PolarHBondContact OD1-N 3.27Å; D125-K232 VanDerWaalsContact OD1-N 3.16Å; D125-K232 WeakPolarHBondContact OD2-CB 3.33Å; D125-K232 PolarHBondContact OD2-N 3.1Å; L230-K232 WeakPolarHBondContact O-CG 3.45Å; L230-K232 PolarHBondContact O-N 3.49Å; K232-L234 PolarHBondContact O-N 3.31Å
233T88.1Confident84.5Confident16 Ų1674.9 Ų74.910%0.09843%0.431CS..BIsolated β-bridgetrans-73.1125.9169.6-73.70000108.6K27 S115 Y118 F119 K236K27-T233 PolarHBondContact NZ-OG1 3.13Å; S115-T233 PolarHBondContact O-OG1 2.03Å; S115-T233 PolarHBondContact OG-OG1 3.26Å; Y118-T233 VanDerWaalsContact CB-CG2 3.46Å; F119-T233 HydrophobicContact CB-CG2 4.15Å; F119-T233 VanDerWaalsContact N-CG2 3.33Å; T233-K236 HydrophobicContact CG2-CB 4.45Å
234L88.1Confident84.9Confident60 Ų6069 Ų6931%0.31441%0.407SS..THydrogen-bonded Turntrans-67.7147.2-178.8-62.8177.1000111Y122 G123 D125 K232 K236Y122-L234 VanDerWaalsContact CB-O 3.25Å; Y122-L234 WeakPolarHBondContact CB-O 3.23Å; Y122-L234 WeakPolarHBondContact CD2-O 3.48Å; G123-L234 PolarHBondContact O-N 3.48Å; D125-L234 HydrophobicContact CB-CD2 4.19Å; K232-L234 PolarHBondContact O-N 3.31Å; L234-K236 PolarHBondContact O-N 2.73Å
235N90.7Very high85.5Confident113 Ų11368 Ų6860%0.60440%0.4SS*.THydrogen-bonded Turntrans49.532.2175.5-54-22.8000114.3Y122 V237Y122-N235 HydrophobicContact CD1-CB 4.12Å; Y122-N235 HydrophobicContact CD2-CB 3.68Å; Y122-N235 HydrophobicContact CE1-CB 4.29Å; Y122-N235 HydrophobicContact CE2-CB 3.85Å; Y122-N235 HydrophobicContact CG-CB 3.82Å; N235-V237 PolarHBondContact O-N 2.93Å
236K92.1Very high86.7Confident85 Ų8570.4 Ų70.437%0.3740%0.401SS..PPolyproline II helixtrans-68.4117173.7-169.7-174.282.3160.10108.6E111 I114 Y118 T233 L234E111-K236 IonicContact OE2-NZ 3.26Å; E111-K236 PolarHBondContact OE2-NZ 2.81Å; I114-K236 HydrophobicContact CG2-CD 4.13Å; I114-K236 HydrophobicContact CG2-CG 4.14Å; Y118-K236 HydrophobicContact CD2-CB 4.34Å; Y118-K236 HydrophobicContact CD2-CG 3.66Å; Y118-K236 HydrophobicContact CE2-CG 4.22Å; Y118-K236 HydrophobicContact CG-CB 4.35Å; Y118-K236 HydrophobicContact CG-CG 4.15Å; T233-K236 HydrophobicContact CG2-CB 4.45Å; L234-K236 PolarHBondContact O-N 2.73Å
237V93.4Very high88.5Confident73 Ų7366.7 Ų66.744%0.44237%0.369SS..PPolyproline II helixtrans-97.5137.7173-175.90000108.8Y118 N235Y118-V237 HydrophobicContact CE1-CB 4.41Å; Y118-V237 HydrophobicContact CE1-CG2 4.49Å; Y118-V237 VanDerWaalsContact CE2-O 3.31Å; Y118-V237 WeakPolarHBondContact CE2-O 3.44Å; Y118-V237 PolarHBondContact OH-O 2.78Å; N235-V237 PolarHBondContact O-N 2.93Å
238A95Very high90.1Very high80 Ų8066.1 Ų66.166%0.66136%0.363SS*.PPolyproline II helixtrans-70.9133.5176.100000110.1
239P95.9Very high91.5Very high15 Ų1570.8 Ų70.810%0.09739%0.386CS..PPolyproline II helixtrans-66.6158.2175.5-1931.8000112.7I114 F141 D142 T243 L244I114-P239 HydrophobicContact CD1-CG 3.53Å; I114-P239 HydrophobicContact CG1-CG 4.04Å; F141-P239 HydrophobicContact CB-CG 4.4Å; F141-P239 HydrophobicContact CD1-CB 4.24Å; F141-P239 HydrophobicContact CD1-CG 3.89Å; F141-P239 HydrophobicContact CG-CG 4.43Å; D142-P239 WeakPolarHBondContact OD2-CA 3.5Å; P239-T243 HydrophobicContact CB-CG2 4.04Å; P239-L244 HydrophobicContact CB-CD2 4.07Å; P239-L244 HydrophobicContact CB-CG 4.25Å; P239-L244 HydrophobicContact CG-CD2 4.12Å
240S97.2Very high92.7Very high43 Ų4369.8 Ų69.830%0.30137%0.374SS..PPolyproline II helixtrans-63154.5170.764.60000112.3D142 E242 T243 L244D142-S240 WeakPolarHBondContact OD1-CB 3.48Å; D142-S240 PolarHBondContact OD1-N 3.16Å; D142-S240 PolarHBondContact OD1-OG 2.87Å; D142-S240 PolarHBondContact OD2-N 3.07Å; S240-E242 PolarHBondContact O-N 3.14Å; S240-T243 PolarHBondContact O-N 3.06Å; S240-T243 PolarHBondContact OG-N 3.41Å; S240-T243 PolarHBondContact OG-OG1 3.02Å; S240-L244 WeakPolarHBondContact O-CG 3.41Å; S240-L244 PolarHBondContact O-N 3.23Å
241G96.6Very high93.7Very high51 Ų5171 Ų7153%0.52638%0.382SS..Hα-helixtrans-56.9-36.3174.600000112.9L244 S245G241-L244 PolarHBondContact O-N 2.86Å; G241-S245 PolarHBondContact O-N 3.26Å; G241-S245 PolarHBondContact O-OG 3.02Å; G241-S245 VanDerWaalsContact O-OG 3.1Å
242E96.2Very high94.4Very high156 Ų15669.6 Ų69.673%0.72938%0.378SS*.Hα-helixtrans-60.8-50.9175.4-174.5-175.1177.700111.9S240 L244 S245 L246S240-E242 PolarHBondContact O-N 3.14Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.09Å; E242-S245 PolarHBondContact O-N 3.1Å; E242-L246 WeakPolarHBondContact O-CB 3.35Å; E242-L246 PolarHBondContact O-N 3.18Å
243T96.5Very high95Very high6 Ų664.5 Ų64.54%0.03735%0.354CS..Hα-helixtrans-61.5-39.7176.9-69.40000111.8F141 D142 I145 P239 S240 M247F141-T243 HydrophobicContact CD1-CG2 3.87Å; F141-T243 HydrophobicContact CE1-CG2 3.99Å; D142-T243 WeakPolarHBondContact OD1-CB 3.4Å; D142-T243 PolarHBondContact OD1-OG1 3.29Å; I145-T243 HydrophobicContact CB-CG2 4.27Å; I145-T243 HydrophobicContact CG1-CG2 3.85Å; I145-T243 HydrophobicContact CG2-CG2 4.3Å; P239-T243 HydrophobicContact CB-CG2 4.04Å; S240-T243 PolarHBondContact O-N 3.06Å; S240-T243 PolarHBondContact OG-N 3.41Å; S240-T243 PolarHBondContact OG-OG1 3.02Å; T243-M247 HydrophobicContact CG2-CG 4.45Å; T243-M247 WeakPolarHBondContact O-CB 3.22Å; T243-M247 WeakPolarHBondContact O-CG 3.47Å; T243-M247 PolarHBondContact O-N 2.85Å
244L96.2Very high95.5Very high34 Ų3468.7 Ų68.718%0.17837%0.371CS..Hα-helixtrans-62.9-46.2176.4-66.2177.1000111.3L110 I114 P239 S240 G241 E242 M247 R248L110-L244 HydrophobicContact CD2-CD2 3.56Å; L110-L244 HydrophobicContact CG-CD2 4.3Å; I114-L244 HydrophobicContact CD1-CD2 4.47Å; P239-L244 HydrophobicContact CB-CD2 4.07Å; P239-L244 HydrophobicContact CB-CG 4.25Å; P239-L244 HydrophobicContact CG-CD2 4.12Å; S240-L244 WeakPolarHBondContact O-CG 3.41Å; S240-L244 PolarHBondContact O-N 3.23Å; G241-L244 PolarHBondContact O-N 2.86Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.09Å; L244-M247 PolarHBondContact O-N 3.03Å; L244-R248 WeakPolarHBondContact O-CB 3.31Å; L244-R248 WeakPolarHBondContact O-CD 3.48Å; L244-R248 WeakPolarHBondContact O-CG 3.29Å; L244-R248 PolarHBondContact O-N 3.4Å
245S96Very high96Very high62 Ų6266.3 Ų66.343%0.43436%0.359SS..Hα-helixtrans-60.9-48.3177.5-65.40000111.6G241 E242 M247 R248 E249G241-S245 PolarHBondContact O-N 3.26Å; G241-S245 PolarHBondContact O-OG 3.02Å; G241-S245 VanDerWaalsContact O-OG 3.1Å; E242-S245 PolarHBondContact O-N 3.1Å; S245-M247 VanDerWaalsContact C-N 3.3Å; S245-M247 PolarHBondContact O-N 3.35Å; S245-R248 PolarHBondContact O-N 3.03Å; S245-E249 WeakPolarHBondContact O-CG 3.47Å; S245-E249 PolarHBondContact O-N 3.23Å
246L94.7Very high96.4Very high101 Ų10161 Ų6153%0.52933%0.33SS..Hα-helixtrans-56-43.6177.6-179.566.9000112.2I145 E242I145-L246 HydrophobicContact CG2-CD2 3.78Å; E242-L246 WeakPolarHBondContact O-CB 3.35Å; E242-L246 PolarHBondContact O-N 3.18Å
247M95.2Very high96.7Very high7 Ų758 Ų583%0.03432%0.318CS..Hα-helixtrans-68.2-36.5178.8-69.4-67.2-75.600112.1L110 L113 F141 I145 V154 L157 T243 L244 S245 N250 W253L110-M247 HydrophobicContact CD1-CB 4.08Å; L110-M247 HydrophobicContact CD1-CE 3.98Å; L110-M247 HydrophobicContact CD1-CG 4.22Å; L110-M247 HydrophobicContact CD2-CB 4.13Å; L113-M247 HydrophobicContact CD2-CE 3.81Å; F141-M247 HydrophobicContact CZ-CE 4.22Å; I145-M247 HydrophobicContact CD1-CE 4.45Å; I145-M247 HydrophobicContact CD1-CG 4.5Å; I145-M247 HydrophobicContact CD1-SD 3.69Å; V154-M247 HydrophobicContact CB-CE 4.32Å; V154-M247 HydrophobicContact CB-SD 4.34Å; V154-M247 HydrophobicContact CG2-CE 4.19Å; V154-M247 HydrophobicContact CG2-SD 4.32Å; L157-M247 HydrophobicContact CD1-CE 4.02Å; L157-M247 HydrophobicContact CG-CE 4.26Å; T243-M247 HydrophobicContact CG2-CG 4.45Å; T243-M247 WeakPolarHBondContact O-CB 3.22Å; T243-M247 WeakPolarHBondContact O-CG 3.47Å; T243-M247 PolarHBondContact O-N 2.85Å; L244-M247 PolarHBondContact O-N 3.03Å; S245-M247 VanDerWaalsContact C-N 3.3Å; S245-M247 PolarHBondContact O-N 3.35Å; M247-N250 WeakPolarHBondContact O-CB 3.43Å; M247-N250 PolarHBondContact O-N 3.11Å; M247-W253 WeakPolarHBondContact O-CB 3.33Å
248R96.6Very high97Very high115 Ų11558.9 Ų58.943%0.43432%0.317SS..Hα-helixtrans-73.8-24.2-178.3-72.4170.6177.3166.6-0.1113.8L244 S245 N250 W253L244-R248 WeakPolarHBondContact O-CB 3.31Å; L244-R248 WeakPolarHBondContact O-CD 3.48Å; L244-R248 WeakPolarHBondContact O-CG 3.29Å; L244-R248 PolarHBondContact O-N 3.4Å; S245-R248 PolarHBondContact O-N 3.03Å; R248-N250 PolarHBondContact O-N 3.11Å; R248-W253 VanDerWaalsContact CA-CE3 3.5Å; R248-W253 HydrophobicContact CB-CD2 4.14Å; R248-W253 HydrophobicContact CB-CE3 3.9Å; R248-W253 HydrophobicContact CB-CH2 4.22Å; R248-W253 HydrophobicContact CB-CZ2 4.46Å; R248-W253 HydrophobicContact CB-CZ3 3.93Å; R248-W253 HydrophobicContact CG-CD2 3.94Å; R248-W253 HydrophobicContact CG-CE3 4.09Å; R248-W253 HydrophobicContact CG-CH2 3.82Å; R248-W253 HydrophobicContact CG-CZ2 3.66Å; R248-W253 HydrophobicContact CG-CZ3 4.03Å
249E96.1Very high97.1Very high132 Ų13255 Ų5562%0.61729%0.285SS*.Hα-helixtrans-68.4-26.7175.4-75.1173.8-173.600112.6S245 K254S245-E249 WeakPolarHBondContact O-CG 3.47Å; S245-E249 PolarHBondContact O-N 3.23Å; E249-K254 VanDerWaalsContact O-CE 3.3Å; E249-K254 WeakPolarHBondContact O-CE 3.27Å; E249-K254 PolarHBondContact O-NZ 2.92Å
250N96.8Very high97.3Very high53 Ų5354.9 Ų54.928%0.28328%0.283SS..SBendtrans-68.2137.1-175.9-166.2-80.1000112.8V154 M247 R248 I252 W253 K254V154-N250 WeakPolarHBondContact CG1-ND2 3.47Å; V154-N250 HydrophobicContact CG2-CB 3.55Å; M247-N250 WeakPolarHBondContact O-CB 3.43Å; M247-N250 PolarHBondContact O-N 3.11Å; R248-N250 PolarHBondContact O-N 3.11Å; N250-I252 VanDerWaalsContact C-N 3.29Å; N250-I252 PolarHBondContact O-N 2.95Å; N250-I252 VanDerWaalsContact OD1-CB 3.3Å; N250-I252 WeakPolarHBondContact OD1-CB 3.47Å; N250-I252 PolarHBondContact OD1-N 2.88Å; N250-W253 PolarHBondContact O-N 3.3Å; N250-W253 VanDerWaalsContact O-N 3.16Å; N250-K254 PolarHBondContact O-N 3.1Å; N250-K254 VanDerWaalsContact O-N 3.1Å
251N97.3Very high97.4Very high94 Ų9455.9 Ų55.950%0.50328%0.283SS..Hα-helixtrans-60.4-35.6-179.6-170.356.7000113.5W253 K254 M255N251-W253 VanDerWaalsContact C-N 3.33Å; N251-W253 PolarHBondContact O-N 2.88Å; N251-K254 PolarHBondContact O-N 3.05Å; N251-M255 PolarHBondContact ND2-SD 3.42Å; N251-M255 VanDerWaalsContact O-CG 3.32Å; N251-M255 WeakPolarHBondContact O-CG 3.33Å; N251-M255 PolarHBondContact O-N 3.29Å
252I98Very high97.5Very high22 Ų2254.6 Ų54.611%0.11326%0.263CS..Hα-helixtrans-63.3-42.9178-61.5173.7000110.3L157 W158 P174 N250 M255 E256L157-I252 HydrophobicContact CB-CG2 3.99Å; W158-I252 HydrophobicContact CB-CG2 3.84Å; W158-I252 HydrophobicContact CE3-CG2 4Å; P174-I252 HydrophobicContact CB-CD1 3.7Å; P174-I252 HydrophobicContact CB-CG1 4.31Å; N250-I252 VanDerWaalsContact C-N 3.29Å; N250-I252 PolarHBondContact O-N 2.95Å; N250-I252 VanDerWaalsContact OD1-CB 3.3Å; N250-I252 WeakPolarHBondContact OD1-CB 3.47Å; N250-I252 PolarHBondContact OD1-N 2.88Å; I252-M255 PolarHBondContact O-N 3.16Å; I252-E256 PolarHBondContact O-N 3.42Å; I252-E256 VanDerWaalsContact O-N 3.09Å
253W98.1Very high97.6Very high36 Ų3647.1 Ų47.114%0.13623%0.228CC..Hα-helixtrans-61.8-48.3175.1-179.784.8000110.9L157 M247 R248 N250 N251 M255 E256 Q257L157-W253 HydrophobicContact CD1-CB 3.54Å; L157-W253 HydrophobicContact CD1-CG 4.08Å; M247-W253 WeakPolarHBondContact O-CB 3.33Å; R248-W253 VanDerWaalsContact CA-CE3 3.5Å; R248-W253 HydrophobicContact CB-CD2 4.14Å; R248-W253 HydrophobicContact CB-CE3 3.9Å; R248-W253 HydrophobicContact CB-CH2 4.22Å; R248-W253 HydrophobicContact CB-CZ2 4.46Å; R248-W253 HydrophobicContact CB-CZ3 3.93Å; R248-W253 HydrophobicContact CG-CD2 3.94Å; R248-W253 HydrophobicContact CG-CE3 4.09Å; R248-W253 HydrophobicContact CG-CH2 3.82Å; R248-W253 HydrophobicContact CG-CZ2 3.66Å; R248-W253 HydrophobicContact CG-CZ3 4.03Å; N250-W253 PolarHBondContact O-N 3.3Å; N250-W253 VanDerWaalsContact O-N 3.16Å; N251-W253 VanDerWaalsContact C-N 3.33Å; N251-W253 PolarHBondContact O-N 2.88Å; W253-M255 VanDerWaalsContact C-N 3.27Å; W253-M255 PolarHBondContact O-N 3.29Å; W253-E256 PolarHBondContact O-N 3.46Å; W253-Q257 HydrophobicContact CD2-CB 4.31Å; W253-Q257 HydrophobicContact CE3-CB 4.34Å; W253-Q257 HydrophobicContact CH2-CB 3.99Å; W253-Q257 HydrophobicContact CH2-CG 3.71Å; W253-Q257 HydrophobicContact CZ2-CB 3.92Å; W253-Q257 HydrophobicContact CZ2-CG 3.74Å; W253-Q257 HydrophobicContact CZ3-CB 4.2Å; W253-Q257 HydrophobicContact CZ3-CG 4.33Å; W253-Q257 WeakPolarHBondContact O-CB 3.47Å; W253-Q257 PolarHBondContact O-N 3.19Å
254K98.6Very high97.7Very high105 Ų10549.6 Ų49.646%0.45724%0.238SC..Hα-helixtrans-55.3-43.8-179.4-70.5171.9175.9159.70111.8E249 N250 N251 Q257 E258E249-K254 VanDerWaalsContact O-CE 3.3Å; E249-K254 WeakPolarHBondContact O-CE 3.27Å; E249-K254 PolarHBondContact O-NZ 2.92Å; N250-K254 PolarHBondContact O-N 3.1Å; N250-K254 VanDerWaalsContact O-N 3.1Å; N251-K254 PolarHBondContact O-N 3.05Å; K254-Q257 PolarHBondContact O-N 3.07Å; K254-E258 WeakPolarHBondContact O-CB 3.47Å; K254-E258 PolarHBondContact O-N 3.03Å
255M98.8Very high97.8Very high10 Ų1054.4 Ų54.45%0.04925%0.254CS..Hα-helixtrans-67.8-46.5178.9-68.2177.370.600112.7W158 I161 G175 N176 L180 N251 I252 W253 Q257 E258 F259W158-M255 HydrophobicContact CH2-CE 3.78Å; W158-M255 HydrophobicContact CZ3-CB 4.06Å; W158-M255 HydrophobicContact CZ3-CE 3.96Å; W158-M255 HydrophobicContact CZ3-SD 4.27Å; I161-M255 HydrophobicContact CD1-CB 4.02Å; I161-M255 WeakPolarHBondContact CD1-O 3.3Å; G175-M255 VanDerWaalsContact CA-SD 3.52Å; G175-M255 VanDerWaalsContact O-SD 3.42Å; N176-M255 WeakPolarHBondContact O-CE 3.06Å; L180-M255 HydrophobicContact CB-CE 3.71Å; L180-M255 HydrophobicContact CD2-CB 4.18Å; L180-M255 HydrophobicContact CD2-CE 3.97Å; L180-M255 HydrophobicContact CD2-CG 4.2Å; L180-M255 HydrophobicContact CG-CE 4.5Å; N251-M255 PolarHBondContact ND2-SD 3.42Å; N251-M255 VanDerWaalsContact O-CG 3.32Å; N251-M255 WeakPolarHBondContact O-CG 3.33Å; N251-M255 PolarHBondContact O-N 3.29Å; I252-M255 PolarHBondContact O-N 3.16Å; W253-M255 VanDerWaalsContact C-N 3.27Å; W253-M255 PolarHBondContact O-N 3.29Å; M255-Q257 VanDerWaalsContact C-N 3.28Å; M255-Q257 PolarHBondContact O-N 3.41Å; M255-E258 WeakPolarHBondContact O-CB 3.3Å; M255-E258 PolarHBondContact O-N 3.21Å; M255-F259 PolarHBondContact O-N 3.24Å
256E98.8Very high98Very high0 Ų054.4 Ų54.40%025%0.247CC..Hα-helixtrans-62.6-37176-80.1-82.8167.600111.9P109 L157 W158 L159 Q160 I161 I252 W253 F259 Y260P109-E256 HydrophobicContact CB-CB 3.71Å; P109-E256 HydrophobicContact CG-CB 3.95Å; L157-E256 VanDerWaalsContact O-CG 3.3Å; L157-E256 WeakPolarHBondContact O-CG 3.45Å; W158-E256 WeakPolarHBondContact CA-OE1 3.29Å; W158-E256 HydrophobicContact CE3-CG 4.2Å; L159-E256 PolarHBondContact N-OE1 2.9Å; Q160-E256 WeakPolarHBondContact CB-OE2 3.3Å; Q160-E256 WeakPolarHBondContact CG-OE2 3.25Å; Q160-E256 PolarHBondContact N-OE1 2.84Å; Q160-E256 PolarHBondContact N-OE2 3.35Å; Q160-E256 PolarHBondContact NE2-OE2 3.27Å; I161-E256 HydrophobicContact CD1-CG 4.05Å; I161-E256 PolarHBondContact N-OE1 2.87Å; I161-E256 VanDerWaalsContact N-OE1 3.1Å; I252-E256 PolarHBondContact O-N 3.42Å; I252-E256 VanDerWaalsContact O-N 3.09Å; W253-E256 PolarHBondContact O-N 3.46Å; E256-F259 PolarHBondContact O-N 2.93Å; E256-Y260 PolarHBondContact O-N 3.37Å
257Q98.8Very high98.1Very high24 Ų2449.7 Ų49.711%0.11222%0.222CC..Hα-helixtrans-66.1-44.5173.7-171.565.729.200111D108 P109 W253 K254 M255 F259 Y260 E261D108-Q257 PolarHBondContact OD2-OE1 3.27Å; P109-Q257 HydrophobicContact CG-CB 4.46Å; W253-Q257 HydrophobicContact CD2-CB 4.31Å; W253-Q257 HydrophobicContact CE3-CB 4.34Å; W253-Q257 HydrophobicContact CH2-CB 3.99Å; W253-Q257 HydrophobicContact CH2-CG 3.71Å; W253-Q257 HydrophobicContact CZ2-CB 3.92Å; W253-Q257 HydrophobicContact CZ2-CG 3.74Å; W253-Q257 HydrophobicContact CZ3-CB 4.2Å; W253-Q257 HydrophobicContact CZ3-CG 4.33Å; W253-Q257 WeakPolarHBondContact O-CB 3.47Å; W253-Q257 PolarHBondContact O-N 3.19Å; K254-Q257 PolarHBondContact O-N 3.07Å; M255-Q257 VanDerWaalsContact C-N 3.28Å; M255-Q257 PolarHBondContact O-N 3.41Å; Q257-F259 VanDerWaalsContact C-N 3.27Å; Q257-F259 PolarHBondContact O-N 3.39Å; Q257-Y260 PolarHBondContact O-N 3.03Å; Q257-Y260 VanDerWaalsContact O-N 3.15Å; Q257-E261 HydrophobicContact CG-CG 4.38Å; Q257-E261 PolarHBondContact NE2-OE1 3.27Å; Q257-E261 WeakPolarHBondContact O-CG 3.27Å; Q257-E261 PolarHBondContact O-N 3.22Å
258E98.9Very high98.2Very high90 Ų9052.5 Ų52.542%0.42124%0.235SC..Hα-helixtrans-59.2-41176.7-173.8-174.214700111.5K184 K254 M255 F262K184-E258 IonicContact NZ-OE1 2.79Å; K184-E258 PolarHBondContact NZ-OE1 3.27Å; K254-E258 WeakPolarHBondContact O-CB 3.47Å; K254-E258 PolarHBondContact O-N 3.03Å; M255-E258 WeakPolarHBondContact O-CB 3.3Å; M255-E258 PolarHBondContact O-N 3.21Å; E258-F262 VanDerWaalsContact O-CB 3.24Å; E258-F262 WeakPolarHBondContact O-CB 3.44Å; E258-F262 PolarHBondContact O-N 3.28Å
259F98.9Very high98.2Very high0 Ų052.5 Ų52.50%024%0.239CC..Hα-helixtrans-64.9-44.1173.7-177.7-106.9000112.3V106 Q160 I161 F164 L180 A183 K184 L187 M255 E256 Q257 F262 A263V106-F259 HydrophobicContact CG1-CE1 4.14Å; Q160-F259 HydrophobicContact CB-CD1 4.18Å; Q160-F259 HydrophobicContact CB-CE1 4.27Å; I161-F259 HydrophobicContact CD1-CB 4.09Å; I161-F259 HydrophobicContact CG1-CB 3.67Å; I161-F259 HydrophobicContact CG1-CD1 4.15Å; I161-F259 HydrophobicContact CG1-CD2 4.43Å; I161-F259 HydrophobicContact CG1-CG 3.82Å; F164-F259 HydrophobicContact CB-CE2 4.5Å; F164-F259 HydrophobicContact CB-CZ 3.95Å; F164-F259 HydrophobicContact CD1-CZ 4.05Å; F164-F259 AromaticContact CD2-CE1 3.45Å; F164-F259 HydrophobicContact CD2-CE1 3.45Å; F164-F259 VanDerWaalsContact CD2-CE1 3.45Å; F164-F259 AromaticContact CD2-CZ 3.31Å; F164-F259 HydrophobicContact CD2-CZ 3.31Å; F164-F259 HydrophobicContact CE1-CZ 4.38Å; F164-F259 AromaticContact CE2-CE1 3.64Å; F164-F259 HydrophobicContact CE2-CE1 3.64Å; F164-F259 AromaticContact CE2-CZ 3.67Å; F164-F259 HydrophobicContact CE2-CZ 3.67Å; F164-F259 HydrophobicContact CG-CE1 4.13Å; F164-F259 HydrophobicContact CG-CE2 4.42Å; F164-F259 AromaticContact CG-CZ 3.5Å; F164-F259 HydrophobicContact CG-CZ 3.5Å; F164-F259 HydrophobicContact CZ-CE1 4.48Å; F164-F259 HydrophobicContact CZ-CZ 4.19Å; L180-F259 HydrophobicContact CD1-CB 3.76Å; L180-F259 HydrophobicContact CD1-CD2 4.34Å; L180-F259 HydrophobicContact CD1-CG 4.48Å; A183-F259 HydrophobicContact CB-CD2 4.05Å; A183-F259 HydrophobicContact CB-CE2 3.76Å; A183-F259 HydrophobicContact CB-CZ 4.35Å; K184-F259 HydrophobicContact CG-CD2 4.04Å; K184-F259 HydrophobicContact CG-CE2 4.44Å; L187-F259 HydrophobicContact CB-CE2 4.47Å; L187-F259 HydrophobicContact CD1-CE2 4.07Å; L187-F259 HydrophobicContact CD1-CZ 3.86Å; M255-F259 PolarHBondContact O-N 3.24Å; E256-F259 PolarHBondContact O-N 2.93Å; Q257-F259 VanDerWaalsContact C-N 3.27Å; Q257-F259 PolarHBondContact O-N 3.39Å; F259-F262 WeakPolarHBondContact O-CB 3.2Å; F259-F262 PolarHBondContact O-N 3.38Å; F259-A263 PolarHBondContact O-N 3.16Å
260Y98.9Very high98.1Very high11 Ų1148 Ų484%0.04322%0.22CC..Hα-helixtrans-59.5-49.4175.6171.1-99.7000111.9V106 R107 D108 I196 E198 E256 Q257 F262 A263 K264V106-Y260 HydrophobicContact CB-CD2 4.41Å; V106-Y260 HydrophobicContact CG2-CD2 3.83Å; V106-Y260 HydrophobicContact CG2-CE2 4.3Å; R107-Y260 WeakPolarHBondContact O-CD2 3.42Å; D108-Y260 VanDerWaalsContact N-CE2 3.3Å; I196-Y260 HydrophobicContact CB-CE2 4.09Å; I196-Y260 HydrophobicContact CG2-CE2 3.81Å; E198-Y260 PolarHBondContact OE2-OH 3.26Å; E256-Y260 PolarHBondContact O-N 3.37Å; Q257-Y260 PolarHBondContact O-N 3.03Å; Q257-Y260 VanDerWaalsContact O-N 3.15Å; Y260-F262 VanDerWaalsContact C-N 3.29Å; Y260-F262 PolarHBondContact O-N 3.05Å; Y260-A263 PolarHBondContact O-N 2.99Å; Y260-K264 HydrophobicContact CE1-CD 4.2Å; Y260-K264 WeakPolarHBondContact O-CB 3.42Å; Y260-K264 PolarHBondContact O-N 3.19Å
261E98.9Very high97.8Very high65 Ų6547.5 Ų47.530%0.30422%0.215SC..Hα-helixtrans-64.6-35.4178.4-68.2-57.5155.600111.9Q257 R265Q257-E261 HydrophobicContact CG-CG 4.38Å; Q257-E261 PolarHBondContact NE2-OE1 3.27Å; Q257-E261 WeakPolarHBondContact O-CG 3.27Å; Q257-E261 PolarHBondContact O-N 3.22Å; E261-R265 WeakPolarHBondContact O-CG 3.22Å; E261-R265 PolarHBondContact O-N 3.15Å; E261-R265 PolarHBondContact O-NH1 2.9Å
262F98.9Very high97.4Very high23 Ų2344.9 Ų44.910%0.10121%0.207CC..Hα-helixtrans-61.1-51.5172.4176.2-95.1000111.5K184 L187 L188 E258 F259 Y260 K264 R265 Q266K184-F262 HydrophobicContact CB-CD1 4.09Å; K184-F262 HydrophobicContact CB-CE1 3.65Å; K184-F262 HydrophobicContact CB-CE2 4.48Å; K184-F262 HydrophobicContact CB-CZ 3.87Å; K184-F262 HydrophobicContact CD-CD1 4.27Å; K184-F262 HydrophobicContact CD-CD2 4.06Å; K184-F262 HydrophobicContact CD-CE1 4.44Å; K184-F262 HydrophobicContact CD-CE2 4.26Å; K184-F262 HydrophobicContact CD-CG 4.06Å; K184-F262 HydrophobicContact CD-CZ 4.43Å; K184-F262 HydrophobicContact CG-CD1 3.68Å; K184-F262 HydrophobicContact CG-CD2 4.36Å; K184-F262 HydrophobicContact CG-CE1 3.79Å; K184-F262 HydrophobicContact CG-CE2 4.47Å; K184-F262 HydrophobicContact CG-CG 3.96Å; K184-F262 HydrophobicContact CG-CZ 4.19Å; L187-F262 HydrophobicContact CB-CE1 4.47Å; L187-F262 HydrophobicContact CD1-CD1 4.43Å; L187-F262 HydrophobicContact CD2-CD1 4.48Å; L187-F262 HydrophobicContact CD2-CE1 3.93Å; L188-F262 HydrophobicContact CD1-CZ 3.81Å; L188-F262 HydrophobicContact CD2-CE1 4.32Å; L188-F262 HydrophobicContact CD2-CZ 3.9Å; L188-F262 HydrophobicContact CG-CE1 4.2Å; L188-F262 HydrophobicContact CG-CZ 3.76Å; E258-F262 VanDerWaalsContact O-CB 3.24Å; E258-F262 WeakPolarHBondContact O-CB 3.44Å; E258-F262 PolarHBondContact O-N 3.28Å; F259-F262 WeakPolarHBondContact O-CB 3.2Å; F259-F262 PolarHBondContact O-N 3.38Å; Y260-F262 VanDerWaalsContact C-N 3.29Å; Y260-F262 PolarHBondContact O-N 3.05Å; F262-K264 VanDerWaalsContact C-N 3.32Å; F262-K264 PolarHBondContact O-N 2.88Å; F262-R265 PolarHBondContact O-N 3.24Å; F262-Q266 HydrophobicContact CE1-CG 4.22Å; F262-Q266 HydrophobicContact CZ-CG 4.26Å; F262-Q266 WeakPolarHBondContact O-CG 3.47Å; F262-Q266 PolarHBondContact O-N 3.24Å; F262-Q266 VanDerWaalsContact O-N 3.12Å
263A98.9Very high96.6Very high0 Ų049.8 Ų49.80%023%0.229CC..Hα-helixtrans-59.7-42.9177.600000111.8V106 L187 V194 F259 Y260 R265 Q266 F267V106-A263 HydrophobicContact CG2-CB 3.82Å; L187-A263 HydrophobicContact CD1-CB 3.57Å; V194-A263 HydrophobicContact CG1-CB 4.12Å; F259-A263 PolarHBondContact O-N 3.16Å; Y260-A263 PolarHBondContact O-N 2.99Å; A263-R265 PolarHBondContact O-N 2.59Å; A263-Q266 PolarHBondContact O-N 3.49Å; A263-F267 WeakPolarHBondContact O-CB 3.34Å; A263-F267 PolarHBondContact O-N 2.94Å
264K98.9Very high95.6Very high57 Ų5752.3 Ų52.325%0.24824%0.241CC..Hα-helixtrans-58.8-46.9176.7-178.5171-178.5-1790112.3I196 Y260 F262 Q266 F267 H268I196-K264 HydrophobicContact CD1-CD 4.04Å; I196-K264 HydrophobicContact CD1-CG 4.07Å; I196-K264 HydrophobicContact CG2-CB 3.99Å; I196-K264 HydrophobicContact CG2-CG 4.32Å; Y260-K264 HydrophobicContact CE1-CD 4.2Å; Y260-K264 WeakPolarHBondContact O-CB 3.42Å; Y260-K264 PolarHBondContact O-N 3.19Å; F262-K264 VanDerWaalsContact C-N 3.32Å; F262-K264 PolarHBondContact O-N 2.88Å; K264-Q266 VanDerWaalsContact C-N 3.35Å; K264-Q266 PolarHBondContact O-N 3.3Å; K264-F267 PolarHBondContact O-N 3.15Å; K264-H268 VanDerWaalsContact CE-CE1 3.48Å; K264-H268 WeakPolarHBondContact CE-CE1 3.29Å; K264-H268 WeakPolarHBondContact O-CB 3.35Å; K264-H268 PolarHBondContact O-N 3.26Å
265R98.7Very high94.3Very high135 Ų13549.2 Ų49.251%0.50923%0.23SC..Hα-helixtrans-60.5-43.3176.1-73.5-170.2-55.2-86.25.9112.1E261 F262 A263 H268 F269E261-R265 WeakPolarHBondContact O-CG 3.22Å; E261-R265 PolarHBondContact O-N 3.15Å; E261-R265 PolarHBondContact O-NH1 2.9Å; F262-R265 PolarHBondContact O-N 3.24Å; A263-R265 PolarHBondContact O-N 2.59Å; R265-H268 PolarHBondContact O-N 2.66Å; R265-F269 WeakPolarHBondContact O-CB 3.19Å; R265-F269 PolarHBondContact O-N 3.06Å
266Q98.4Very high92.9Very high62 Ų6255.5 Ų55.529%0.2926%0.263SS..Hα-helixtrans-63.6-43.1176.4-63.3-52.6-38.800111.6L187 L188 F262 A263 K264 F269 V270L187-Q266 HydrophobicContact CD2-CB 4.23Å; L187-Q266 HydrophobicContact CD2-CG 4.06Å; L188-Q266 HydrophobicContact CD2-CG 3.85Å; F262-Q266 HydrophobicContact CE1-CG 4.22Å; F262-Q266 HydrophobicContact CZ-CG 4.26Å; F262-Q266 WeakPolarHBondContact O-CG 3.47Å; F262-Q266 PolarHBondContact O-N 3.24Å; F262-Q266 VanDerWaalsContact O-N 3.12Å; A263-Q266 PolarHBondContact O-N 3.49Å; K264-Q266 VanDerWaalsContact C-N 3.35Å; K264-Q266 PolarHBondContact O-N 3.3Å; Q266-F269 PolarHBondContact O-N 3.12Å; Q266-V270 WeakPolarHBondContact O-CG2 3.08Å; Q266-V270 PolarHBondContact O-N 3.37Å
267F98.3Very high91Very high2 Ų258.4 Ų58.41%0.00929%0.293CS..Hα-helixtrans-60.3-49176.9-178.2-121.3000112.2L193 V194 I196 E199 D202 F203 A263 K264 F269 V270 K271L193-F267 HydrophobicContact CD1-CD2 3.88Å; L193-F267 HydrophobicContact CD1-CE2 4.11Å; L193-F267 HydrophobicContact CD2-CE2 4.38Å; L193-F267 HydrophobicContact CG-CD2 4.42Å; L193-F267 HydrophobicContact CG-CE2 4.45Å; V194-F267 WeakPolarHBondContact O-CB 3.36Å; I196-F267 HydrophobicContact CG1-CD1 4.47Å; E199-F267 HydrophobicContact CB-CE1 3.97Å; D202-F267 HydrophobicContact CB-CE1 4.21Å; D202-F267 HydrophobicContact CB-CZ 3.88Å; F203-F267 HydrophobicContact CB-CE2 4.23Å; F203-F267 HydrophobicContact CB-CZ 4.05Å; F203-F267 HydrophobicContact CD2-CE2 4.32Å; A263-F267 WeakPolarHBondContact O-CB 3.34Å; A263-F267 PolarHBondContact O-N 2.94Å; K264-F267 PolarHBondContact O-N 3.15Å; F267-F269 VanDerWaalsContact C-N 3.31Å; F267-F269 PolarHBondContact O-N 3.22Å; F267-V270 PolarHBondContact O-N 2.72Å; F267-K271 HydrophobicContact CE1-CD 4.43Å; F267-K271 HydrophobicContact CZ-CD 4.45Å; F267-K271 VanDerWaalsContact O-CB 3.24Å; F267-K271 WeakPolarHBondContact O-CB 3Å; F267-K271 PolarHBondContact O-N 3.49Å
268H97.9Very high89Confident67 Ų6758.9 Ų58.931%0.3130%0.296SS..Hα-helixtrans-62-39.2178.2-72.2178.5000112.4E199 K264 R265 K271 A272E199-H268 IonicContact OE1-CD2 3.87Å; E199-H268 IonicContact OE1-CE1 3.46Å; E199-H268 PolarHBondContact OE1-CE1 2.97Å; E199-H268 IonicContact OE1-NE2 2.73Å; E199-H268 PolarHBondContact OE1-NE2 3.24Å; E199-H268 IonicContact OE2-CD2 3.4Å; E199-H268 PolarHBondContact OE2-CD2 3.37Å; E199-H268 IonicContact OE2-NE2 2.99Å; E199-H268 PolarHBondContact OE2-NE2 3.46Å; K264-H268 VanDerWaalsContact CE-CE1 3.48Å; K264-H268 WeakPolarHBondContact CE-CE1 3.29Å; K264-H268 WeakPolarHBondContact O-CB 3.35Å; K264-H268 PolarHBondContact O-N 3.26Å; R265-H268 PolarHBondContact O-N 2.66Å; H268-K271 PolarHBondContact O-N 2.96Å; H268-A272 WeakPolarHBondContact O-CB 3.29Å; H268-A272 PolarHBondContact O-N 3.4Å
269F96Very high86.8Confident115 Ų11558.2 Ų58.250%0.50430%0.3SS..Hα-helixtrans-62.3-50.7175.5-179.8-100000111.8R265 Q266 F267 K271 A272 Q273R265-F269 WeakPolarHBondContact O-CB 3.19Å; R265-F269 PolarHBondContact O-N 3.06Å; Q266-F269 PolarHBondContact O-N 3.12Å; F267-F269 VanDerWaalsContact C-N 3.31Å; F267-F269 PolarHBondContact O-N 3.22Å; F269-K271 PolarHBondContact O-N 2.87Å; F269-A272 PolarHBondContact O-N 2.75Å; F269-Q273 VanDerWaalsContact CE1-CD 3.46Å; F269-Q273 HydrophobicContact CE1-CG 4.41Å; F269-Q273 VanDerWaalsContact CE1-NE2 3.34Å; F269-Q273 HydrophobicContact CZ-CG 4.42Å; F269-Q273 WeakPolarHBondContact O-CG 3.23Å; F269-Q273 PolarHBondContact O-N 3.15Å
270V92.5Very high84.6Confident37 Ų3764.8 Ų64.822%0.22435%0.346CS..Hα-helixtrans-60.6-46.1176.6172.50000110.6L193 V206 Q266 F267 A272 Q273 F274L193-V270 HydrophobicContact CD1-CB 4.48Å; L193-V270 HydrophobicContact CD1-CG1 3.94Å; V206-V270 HydrophobicContact CG1-CG1 4.28Å; Q266-V270 WeakPolarHBondContact O-CG2 3.08Å; Q266-V270 PolarHBondContact O-N 3.37Å; F267-V270 PolarHBondContact O-N 2.72Å; V270-A272 PolarHBondContact O-N 2.85Å; V270-Q273 PolarHBondContact O-N 3.42Å; V270-F274 HydrophobicContact CG1-CD2 3.67Å; V270-F274 HydrophobicContact CG1-CE2 3.9Å; V270-F274 WeakPolarHBondContact O-CB 3.31Å; V270-F274 WeakPolarHBondContact O-CD2 3.42Å; V270-F274 PolarHBondContact O-N 2.95Å
271K90.5Very high82.2Confident42 Ų4269.1 Ų69.118%0.18338%0.378CS..Hα-helixtrans-56.2-49.3177.4-175175.277.3178.50111.3E199 D202 V206 F267 H268 F269 Q273 F274 L275E199-K271 IonicContact OE2-NZ 2.71Å; E199-K271 PolarHBondContact OE2-NZ 2.87Å; D202-K271 HydrophobicContact CB-CD 3.73Å; D202-K271 WeakPolarHBondContact OD2-CD 3.45Å; D202-K271 IonicContact OD2-NZ 2.7Å; D202-K271 PolarHBondContact OD2-NZ 3.01Å; V206-K271 HydrophobicContact CG2-CG 4.49Å; F267-K271 HydrophobicContact CE1-CD 4.43Å; F267-K271 HydrophobicContact CZ-CD 4.45Å; F267-K271 VanDerWaalsContact O-CB 3.24Å; F267-K271 WeakPolarHBondContact O-CB 3Å; F267-K271 PolarHBondContact O-N 3.49Å; H268-K271 PolarHBondContact O-N 2.96Å; F269-K271 PolarHBondContact O-N 2.87Å; K271-Q273 VanDerWaalsContact C-N 3.35Å; K271-Q273 PolarHBondContact O-N 3.08Å; K271-F274 PolarHBondContact O-N 3.41Å; K271-L275 HydrophobicContact CD-CD1 4.08Å; K271-L275 HydrophobicContact CG-CD1 3.46Å; K271-L275 VanDerWaalsContact CG-CD1 3.46Å; K271-L275 HydrophobicContact CG-CG 3.95Å; K271-L275 VanDerWaalsContact O-CB 3.22Å; K271-L275 WeakPolarHBondContact O-CB 3.37Å; K271-L275 VanDerWaalsContact O-CG 3.23Å; K271-L275 WeakPolarHBondContact O-CG 3.49Å; K271-L275 PolarHBondContact O-N 3.04Å
272A89.1Confident79.9Confident40 Ų4068.8 Ų68.833%0.33138%0.377SS..Hα-helixtrans-60.7-43.9178.500000111.7H268 F269 V270 N276H268-A272 WeakPolarHBondContact O-CB 3.29Å; H268-A272 PolarHBondContact O-N 3.4Å; F269-A272 PolarHBondContact O-N 2.75Å; V270-A272 PolarHBondContact O-N 2.85Å; A272-N276 WeakPolarHBondContact O-CB 3.48Å; A272-N276 PolarHBondContact O-N 3.44Å; A272-N276 PolarHBondContact O-ND2 2.96Å; A272-N276 VanDerWaalsContact O-ND2 3.15Å; A272-N276 PolarHBondContact O-OD1 3.26Å
273Q82.2Confident77.5Confident124 Ų12469.4 Ų69.458%0.57939%0.39SS*.Hα-helixtrans-65.2-41.8178.7-71.9-171.5-27.400113.1F269 V270 K271F269-Q273 VanDerWaalsContact CE1-CD 3.46Å; F269-Q273 HydrophobicContact CE1-CG 4.41Å; F269-Q273 VanDerWaalsContact CE1-NE2 3.34Å; F269-Q273 HydrophobicContact CZ-CG 4.42Å; F269-Q273 WeakPolarHBondContact O-CG 3.23Å; F269-Q273 PolarHBondContact O-N 3.15Å; V270-Q273 PolarHBondContact O-N 3.42Å; K271-Q273 VanDerWaalsContact C-N 3.35Å; K271-Q273 PolarHBondContact O-N 3.08Å
274F76.6Confident75Confident90 Ų9074.7 Ų74.740%0.39542%0.423SS..Hα-helixtrans-73.9-39.6179.9-89.4-100.8000112.1V209 A210 V270 K271 I278V209-F274 HydrophobicContact CG1-CD1 3.85Å; V209-F274 HydrophobicContact CG1-CE1 4.31Å; A210-F274 HydrophobicContact CB-CE1 4.32Å; V270-F274 HydrophobicContact CG1-CD2 3.67Å; V270-F274 HydrophobicContact CG1-CE2 3.9Å; V270-F274 WeakPolarHBondContact O-CB 3.31Å; V270-F274 WeakPolarHBondContact O-CD2 3.42Å; V270-F274 PolarHBondContact O-N 2.95Å; K271-F274 PolarHBondContact O-N 3.41Å; F274-I278 VanDerWaalsContact O-CD1 3.26Å; F274-I278 WeakPolarHBondContact O-CD1 3.36Å; F274-I278 WeakPolarHBondContact O-CG1 3.48Å
275L72.4Confident72.6Confident40 Ų4078.6 Ų78.621%0.20944%0.442CS..Hα-helixtrans-91.1-25.9-171.5-56.3-170.4000114.5L205 K271 G277 I278L205-L275 HydrophobicContact CD2-CD1 3.91Å; L205-L275 HydrophobicContact CD2-CD2 3.73Å; L205-L275 HydrophobicContact CG-CD2 4.05Å; K271-L275 HydrophobicContact CD-CD1 4.08Å; K271-L275 HydrophobicContact CG-CD1 3.46Å; K271-L275 VanDerWaalsContact CG-CD1 3.46Å; K271-L275 HydrophobicContact CG-CG 3.95Å; K271-L275 VanDerWaalsContact O-CB 3.22Å; K271-L275 WeakPolarHBondContact O-CB 3.37Å; K271-L275 VanDerWaalsContact O-CG 3.23Å; K271-L275 WeakPolarHBondContact O-CG 3.49Å; K271-L275 PolarHBondContact O-N 3.04Å; L275-G277 PolarHBondContact O-N 2.96Å; L275-I278 HydrophobicContact CB-CD1 4.49Å; L275-I278 HydrophobicContact CD2-CD1 3.48Å; L275-I278 VanDerWaalsContact CD2-CD1 3.48Å; L275-I278 WeakPolarHBondContact O-CB 3.3Å; L275-I278 PolarHBondContact O-N 3.19Å
276N68.7Low70.2Confident142 Ų14283.7 Ų83.776%0.75946%0.461SS*.THydrogen-bonded Turntrans-63.9-15.9-178.3-75.6-13.4000113.8A272A272-N276 WeakPolarHBondContact O-CB 3.48Å; A272-N276 PolarHBondContact O-N 3.44Å; A272-N276 PolarHBondContact O-ND2 2.96Å; A272-N276 VanDerWaalsContact O-ND2 3.15Å; A272-N276 PolarHBondContact O-OD1 3.26Å
277G59.6Low67.8Low61 Ų6187.5 Ų87.563%0.62948%0.477SS*.THydrogen-bonded Turntrans-96.52.8172.700000114.8L275L275-G277 PolarHBondContact O-N 2.96Å
278I56Low65.8Low34 Ų3495.8 Ų95.817%0.17451%0.508CS..SBendtrans-98.4117.5-170.3-57.2-167.4000109.7V209 F274 L275 S280 I282 Y289V209-I278 HydrophobicContact CG2-CD1 4.35Å; F274-I278 VanDerWaalsContact O-CD1 3.26Å; F274-I278 WeakPolarHBondContact O-CD1 3.36Å; F274-I278 WeakPolarHBondContact O-CG1 3.48Å; L275-I278 HydrophobicContact CB-CD1 4.49Å; L275-I278 HydrophobicContact CD2-CD1 3.48Å; L275-I278 VanDerWaalsContact CD2-CD1 3.48Å; L275-I278 WeakPolarHBondContact O-CB 3.3Å; L275-I278 PolarHBondContact O-N 3.19Å; I278-S280 PolarHBondContact O-N 2.64Å; I278-I282 HydrophobicContact CG2-CB 4.2Å; I278-I282 HydrophobicContact CG2-CD1 3.52Å; I278-I282 HydrophobicContact CG2-CG1 3.67Å; I278-Y289 HydrophobicContact CB-CE1 4.41Å; I278-Y289 HydrophobicContact CD1-CD1 4.19Å; I278-Y289 HydrophobicContact CD1-CE1 3.34Å; I278-Y289 HydrophobicContact CG1-CD1 4.12Å; I278-Y289 HydrophobicContact CG1-CE1 3.51Å; I278-Y289 HydrophobicContact CG2-CE1 4.24Å
279P51.9Low64.1Low76 Ų7696.1 Ų96.149%0.49451%0.507SS..  trans-56.6134.6170.2-21.131.6000109.9S281 I282P279-S281 PolarHBondContact O-N 3.48Å; P279-I282 WeakPolarHBondContact O-CG1 3.04Å; P279-I282 PolarHBondContact O-N 3.42Å
280S52.3Low62.6Low138 Ų13896.2 Ų96.297%0.96552%0.519SS*.THydrogen-bonded Turntrans-53.6-18.9176.5-43.70000113.2I278 I282I278-S280 PolarHBondContact O-N 2.64Å; S280-I282 PolarHBondContact O-N 3.28Å
281S49.6Very low61.5Low102 Ų10298.5 Ų98.571%0.71353%0.533SS*.THydrogen-bonded Turntrans-86.516.1179.370.40000115.3P279 G283P279-S281 PolarHBondContact O-N 3.48Å; S281-G283 PolarHBondContact O-N 3.3Å
282I50.9Low60.8Low57 Ų57102 Ų10229%0.29257%0.57SS.*  trans-71.278.1169.5-57.4-155.5000109.3I278 P279 S280 Y289I278-I282 HydrophobicContact CG2-CB 4.2Å; I278-I282 HydrophobicContact CG2-CD1 3.52Å; I278-I282 HydrophobicContact CG2-CG1 3.67Å; P279-I282 WeakPolarHBondContact O-CG1 3.04Å; P279-I282 PolarHBondContact O-N 3.42Å; S280-I282 PolarHBondContact O-N 3.28Å; I282-Y289 HydrophobicContact CD1-CE1 3.69Å
283G48.2Very low60.5Low37 Ų37106.2 Ų106.238%0.38158%0.578SS.*  trans-84.2117.7148.500000107.6S281 Q285S281-G283 PolarHBondContact O-N 3.3Å; G283-Q285 PolarHBondContact O-N 3.28Å
284T46.1Very low60.5Low111 Ų111107.3 Ų107.368%0.68158%0.583SS**SBendtrans49.9-10.4147.9510000121.2R286T284-R286 PolarHBondContact O-N 2.86Å
285Q47.9Very low60.9Low139 Ų139108.3 Ų108.365%0.6559%0.585SS**  trans-80.1124.9172-67.5-150.7-16.700108.2G283 K287G283-Q285 PolarHBondContact O-N 3.28Å; Q285-K287 HydrophobicContact CB-CG 4.41Å; Q285-K287 PolarHBondContact O-N 3.49Å
286R48.2Very low61.5Low241 Ų241113 Ų11391%0.90961%0.606SS**  trans-57.849.1170.8-68.9179.7168.4-172.3-2.4112.8T284 R288T284-R286 PolarHBondContact O-N 2.86Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.04Å
287K48.9Very low62.3Low142 Ų142113.7 Ų113.762%0.61760%0.602SS**  trans-69.699.1170.5-74.6-172.5178.4178.90105.5Q285 Y289Q285-K287 HydrophobicContact CB-CG 4.41Å; Q285-K287 PolarHBondContact O-N 3.49Å; K287-Y289 PolarHBondContact O-N 2.03Å; K287-Y289 VanDerWaalsContact O-N 3.15Å
288R56.2Low63.5Low176 Ų176114.8 Ų114.866%0.66460%0.596SS**  trans-45.8123.2171.7-72.9-178.3175.8173.3-0.9107.5E12 R286E12-R288 IonicContact OE1-CZ 3.74Å; E12-R288 IonicContact OE1-NH2 2.68Å; E12-R288 PolarHBondContact OE1-NH2 3.31Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.04Å
289Y62.1Low65.1Low75 Ų75121.8 Ų121.829%0.29463%0.626SS.*PPolyproline II helixtrans-57.4129.8177-71.9-80.7000108.7V209 I278 I282 K287 V291V209-Y289 HydrophobicContact CB-CD2 4.41Å; V209-Y289 HydrophobicContact CB-CE2 3.78Å; V209-Y289 HydrophobicContact CG1-CD1 4.43Å; V209-Y289 HydrophobicContact CG1-CD2 3.5Å; V209-Y289 VanDerWaalsContact CG1-CD2 3.5Å; V209-Y289 HydrophobicContact CG1-CE1 4.3Å; V209-Y289 HydrophobicContact CG1-CE2 3.3Å; V209-Y289 HydrophobicContact CG1-CG 4.06Å; V209-Y289 HydrophobicContact CG2-CE1 4.41Å; V209-Y289 HydrophobicContact CG2-CE2 3.51Å; V209-Y289 VanDerWaalsContact CG2-CZ 3.41Å; V209-Y289 WeakPolarHBondContact CG2-OH 3.41Å; I278-Y289 HydrophobicContact CB-CE1 4.41Å; I278-Y289 HydrophobicContact CD1-CD1 4.19Å; I278-Y289 HydrophobicContact CD1-CE1 3.34Å; I278-Y289 HydrophobicContact CG1-CD1 4.12Å; I278-Y289 HydrophobicContact CG1-CE1 3.51Å; I278-Y289 HydrophobicContact CG2-CE1 4.24Å; I282-Y289 HydrophobicContact CD1-CE1 3.69Å; K287-Y289 PolarHBondContact O-N 2.03Å; K287-Y289 VanDerWaalsContact O-N 3.15Å; Y289-V291 PolarHBondContact O-N 3.41Å; Y289-V291 VanDerWaalsContact O-N 3.13Å
290P63.6Low66.8Low116 Ų116123.6 Ų123.675%0.75364%0.637SS**PPolyproline II helixtrans-61.4122.4-177.725-32.3000108.6
291V70.6Confident68.2Low86 Ų86125.9 Ų125.952%0.52163%0.63SS.*PPolyproline II helixtrans-82.3120.3173.6178.30000107.2Y289 Y293Y289-V291 PolarHBondContact O-N 3.41Å; Y289-V291 VanDerWaalsContact O-N 3.13Å; V291-Y293 HydrophobicContact CG1-CD1 3.11Å; V291-Y293 HydrophobicContact CG1-CD2 4.28Å; V291-Y293 HydrophobicContact CG1-CE1 3.04Å; V291-Y293 HydrophobicContact CG1-CE2 4.2Å; V291-Y293 HydrophobicContact CG1-CG 3.75Å; V291-Y293 PolarHBondContact O-N 3.37Å; V291-Y293 VanDerWaalsContact O-N 3.15Å
292A76.4Confident69.7Low116 Ų116129.1 Ų129.196%0.95964%0.638SS**SBendtrans-80.617.5-176.700000113.9
293Y81.2Confident70.8Confident128 Ų128139.2 Ų139.250%0.50268%0.684SS.*  trans-130.9154.9174.877-99.4000110.2P9 V291 Y295P9-Y293 HydrophobicContact CG-CE2 4.49Å; V291-Y293 HydrophobicContact CG1-CD1 3.11Å; V291-Y293 HydrophobicContact CG1-CD2 4.28Å; V291-Y293 HydrophobicContact CG1-CE1 3.04Å; V291-Y293 HydrophobicContact CG1-CE2 4.2Å; V291-Y293 HydrophobicContact CG1-CG 3.75Å; V291-Y293 PolarHBondContact O-N 3.37Å; V291-Y293 VanDerWaalsContact O-N 3.15Å; Y293-Y295 HydrophobicContact CE2-CE1 4.31Å; Y293-Y295 AromaticContact CE2-CE2 3.77Å; Y293-Y295 HydrophobicContact CE2-CE2 3.77Å; Y293-Y295 AromaticContact CE2-CZ 3.65Å
294H83.7Confident71.9Confident147 Ų147144.3 Ų144.368%0.68170%0.699SS**  trans-141.3155.7171.664.4-82.1000109.7E296H294-E296 PolarHBondContact O-N 2.8Å
295Y84.9Confident73.3Confident111 Ų111146.1 Ų146.144%0.43570%0.7SS.*  trans-86.7106.8174.7-59-76.6000109.4N7 P9 Y293 K297N7-Y295 WeakPolarHBondContact CB-O 2.99Å; N7-Y295 PolarHBondContact ND2-O 2.75Å; P9-Y295 HydrophobicContact CB-CE2 4.02Å; P9-Y295 HydrophobicContact CG-CE2 3.86Å; Y293-Y295 HydrophobicContact CE2-CE1 4.31Å; Y293-Y295 AromaticContact CE2-CE2 3.77Å; Y293-Y295 HydrophobicContact CE2-CE2 3.77Å; Y293-Y295 AromaticContact CE2-CZ 3.65Å; Y295-K297 VanDerWaalsContact C-N 3.34Å
296E84Confident74.7Confident138 Ų138146.4 Ų146.465%0.64570%0.703SS**SBendtrans-63.7-40-179.9-166.8-164.6136.600111.6H294H294-E296 PolarHBondContact O-N 2.8Å
297K87.1Confident76.2Confident156 Ų156140.9 Ų140.968%0.67869%0.691SS**  trans-137.8126.2-177.2-66.2169.8-173.2152.90110.2Y295Y295-K297 VanDerWaalsContact C-N 3.34Å
298V84.8Confident77.9Confident84 Ų84140.8 Ų140.851%0.50970%0.695SS.*  trans-123117.5171.8-175.90000107.4
299K88.1Confident79.4Confident182 Ų182138.5 Ų138.579%0.79170%0.697SS**SBendtrans-138.6144.4-178.2-67.1-170.4-179.8-175.10110.6
300P87.8Confident80.6Confident114 Ų114143 Ų14374%0.7473%0.726SS**SBendcis-63.6158.5-9.430.5-34.9000110.3L302P300-L302 PolarHBondContact O-N 3.05Å
301K82.1Confident81.9Confident185 Ų185145.1 Ų145.180%0.80472%0.724SS**PPolyproline II helixtrans-64133.9165.1-70-179.3179.4176.90106.2E303K301-E303 PolarHBondContact O-N 2.96Å
302L80.4Confident82.9Confident171 Ų171150 Ų15090%0.89574%0.741SS**PPolyproline II helixtrans-60.1134.4168.5-65.3170.5000107.3P300P300-L302 PolarHBondContact O-N 3.05Å
303E74.2Confident83.5Confident268 Ų268153.1 Ų153.1100%1.25272%0.721SS**  trans-63.80173.3-68.6-178.4170.200111.4K301K301-E303 PolarHBondContact O-N 2.96Å

Retrieved 303 of 303 residues in 221.5 ms (Link to these results)

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