A0A077Z9Y2_TRITR Loading...

Probable glycerol kinase

AlphaFold DB , UniProt , Accession A0A077Z9Y2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 570 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
1M42.2Very low76.1Confident242 Ų24292.4 Ų92.4100%1.19251%0.511SS*.  0140.90-64.5168.6-17500106.3
2A52.1Low77.9Confident74 Ų7484.7 Ų84.761%0.61247%0.469SS*.  trans-70.1147.916900000108.7V4A2-V4 PolarHBondContact O-N 3.38Å
3D64.5Low79.4Confident155 Ų15578.2 Ų78.283%0.82943%0.433SS*.  trans-63.3108.7172.1-70.8-44.5000108.7
4V70.2Confident80.8Confident82 Ų8272.6 Ų72.650%0.49740%0.402SS..PPolyproline II helixtrans-88.1118.7177.6-177.70000108A2 K73 A75A2-V4 PolarHBondContact O-N 3.38Å; V4-K73 WeakPolarHBondContact CA-O 3.4Å; V4-A75 HydrophobicContact CG1-CB 3.76Å; V4-A75 VanDerWaalsContact CG1-N 3.27Å
5T79.2Confident82Confident60 Ų6067.7 Ų67.737%0.36838%0.375SS..EExtended strand (participates in β ladder)trans-81.3128.5178.8-51.10000110.2V7 K73 V74 A75T5-V7 HydrophobicContact CG2-CG2 3.79Å; T5-K73 PolarHBondContact N-O 3.48Å; T5-V74 WeakPolarHBondContact O-CA 3.39Å; T5-A75 PolarHBondContact O-N 2.81Å
6E75.6Confident83Confident158 Ų15864.1 Ų64.174%0.73836%0.355SS*.EExtended strand (participates in β ladder)trans-81128.5166.4-70-164.1154.600110.6A75E6-A75 HydrophobicContact CG-CB 4.29Å
7V80.4Confident83.9Confident16 Ų1660.3 Ų60.310%0.09733%0.334CS..  trans-137.4101.3-179.7-173.20000110.2T5 V9 L11 R28 V35 V74T5-V7 HydrophobicContact CG2-CG2 3.79Å; V7-V9 HydrophobicContact CG1-CG2 3.65Å; V7-V9 PolarHBondContact O-N 2.64Å; V7-V9 VanDerWaalsContact O-N 3.16Å; V7-L11 HydrophobicContact CG1-CD2 3.84Å; V7-R28 HydrophobicContact CG1-CG 4.27Å; V7-V35 HydrophobicContact CG1-CG1 4.47Å; V7-V35 HydrophobicContact CG2-CB 4.05Å; V7-V35 HydrophobicContact CG2-CG1 3.95Å; V7-V35 HydrophobicContact CG2-CG2 4.28Å; V7-V74 HydrophobicContact CB-CG1 4.2Å; V7-V74 HydrophobicContact CG2-CG1 4.03Å
8N86.3Confident84.4Confident157 Ų15757.6 Ų57.684%0.8432%0.322SS*.  trans-86.436.9-179.6-66.1-26.5000113.3
9V92.7Very high84.7Confident31 Ų3155.9 Ų55.919%0.18831%0.313CS..SBendtrans-137.8154.9172-63.90000110.2V7 R28V7-V9 HydrophobicContact CG1-CG2 3.65Å; V7-V9 PolarHBondContact O-N 2.64Å; V7-V9 VanDerWaalsContact O-N 3.16Å; V9-R28 HydrophobicContact CG2-CB 3.89Å; V9-R28 HydrophobicContact CG2-CG 3.96Å
10P96Very high84.8Confident40 Ų4056.1 Ų56.126%0.2632%0.319SS..  trans-60.2150.1176.6-17.429.3000112.1S29 D78 R80P10-S29 VanDerWaalsContact O-CB 3.3Å; P10-S29 WeakPolarHBondContact O-CB 3.48Å; P10-S29 PolarHBondContact O-N 3.01Å; P10-S29 PolarHBondContact O-OG 2.75Å; P10-D78 WeakPolarHBondContact CB-OD2 3.37Å; P10-R80 HydrophobicContact CB-CG 3.42Å; P10-R80 VanDerWaalsContact CB-CG 3.42Å
11L97.6Very high85.2Confident1 Ų154.2 Ų54.21%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-114.7149.2-175.8-60.6179.2000111.8V7 L26 F27 V35 V74 P77 D78 R80V7-L11 HydrophobicContact CG1-CD2 3.84Å; L11-L26 HydrophobicContact CB-CD2 4.44Å; L11-L26 HydrophobicContact CD1-CD1 4.44Å; L11-L26 HydrophobicContact CD1-CD2 4.46Å; L11-F27 WeakPolarHBondContact CA-O 3.14Å; L11-V35 HydrophobicContact CD2-CG2 3.87Å; L11-V74 HydrophobicContact CD1-CG1 4.1Å; L11-P77 HydrophobicContact CD1-CB 3.74Å; L11-D78 PolarHBondContact N-O 3.08Å; L11-R80 PolarHBondContact O-N 3.43Å
12I98Very high87.8Confident0 Ų042.7 Ų42.70%025%0.252CS..EExtended strand (participates in β ladder)trans-121.7125.3172.1-51.1-68.1000108.1F27 F32 R80 A81 A474 A477 A478 L483I12-F27 PolarHBondContact N-O 3.28Å; I12-F27 PolarHBondContact O-N 3.12Å; I12-F32 HydrophobicContact CG1-CE1 4.45Å; I12-R80 HydrophobicContact CD1-CB 4.23Å; I12-A81 HydrophobicContact CD1-CB 4.4Å; I12-A474 HydrophobicContact CB-CB 4.48Å; I12-A474 HydrophobicContact CG2-CB 3.89Å; I12-A474 WeakPolarHBondContact CG2-O 3.2Å; I12-A477 HydrophobicContact CG2-CB 3.94Å; I12-A478 HydrophobicContact CD1-CB 4.01Å; I12-A478 HydrophobicContact CG1-CB 3.99Å; I12-L483 HydrophobicContact CD1-CD1 3.99Å
13G98.1Very high89.9Confident0 Ų041.8 Ų41.80%023%0.233CC..EExtended strand (participates in β ladder)trans-89.7146.8176.300000111.5V25 L79 A81 I82 G83G13-V25 CarbonylContact C-O 3.57Å; G13-V25 WeakPolarHBondContact CA-O 3.44Å; G13-L79 VanDerWaalsContact N-CD1 3.27Å; G13-A81 PolarHBondContact N-O 2.97Å; G13-I82 CarbonylContact O-C 3.56Å; G13-I82 WeakPolarHBondContact O-CA 3.41Å; G13-G83 PolarHBondContact O-N 3.09Å
14A98.5Very high91.5Very high0 Ų034.4 Ų34.40%019%0.193CC..EExtended strand (participates in β ladder)trans-131.3125.1168.500000110.9F24 V25 F27 G83 A470 A473 A474A14-F24 CarbonylContact O-C 3.5Å; A14-F24 VanDerWaalsContact O-CA 3.29Å; A14-F24 WeakPolarHBondContact O-CA 3.41Å; A14-F24 VanDerWaalsContact O-CD2 3.26Å; A14-F24 WeakPolarHBondContact O-CD2 3.35Å; A14-V25 PolarHBondContact N-O 3.1Å; A14-V25 PolarHBondContact O-N 3.09Å; A14-F27 HydrophobicContact CB-CD2 4.43Å; A14-F27 HydrophobicContact CB-CE2 3.93Å; A14-G83 CarbonylContact C-O 3.48Å; A14-G83 WeakPolarHBondContact CA-O 3.42Å; A14-A470 HydrophobicContact CB-CB 4.02Å; A14-A470 WeakPolarHBondContact CB-O 3.41Å; A14-A473 HydrophobicContact CB-CB 4.3Å; A14-A474 HydrophobicContact CB-CB 4.23Å
15I98.7Very high92.8Very high0 Ų030.5 Ų30.50%017%0.17CC..EExtended strand (participates in β ladder)trans-86.4119.2167.6-60.7166.2000107.4R23 F24 T63 I67 I82 G83 I84 T85 L177 L181I15-R23 WeakPolarHBondContact CA-O 3.41Å; I15-F24 HydrophobicContact CB-CD2 4.39Å; I15-F24 HydrophobicContact CG1-CD2 3.53Å; I15-F24 HydrophobicContact CG1-CE2 3.84Å; I15-T63 HydrophobicContact CD1-CG2 3.72Å; I15-T63 HydrophobicContact CG1-CG2 4.14Å; I15-T63 HydrophobicContact CG2-CG2 3.9Å; I15-I67 HydrophobicContact CD1-CD1 4.07Å; I15-I67 HydrophobicContact CG1-CD1 4.43Å; I15-I82 HydrophobicContact CD1-CG2 3.85Å; I15-I82 HydrophobicContact CG1-CG2 4.07Å; I15-G83 PolarHBondContact N-O 3.45Å; I15-I84 HydrophobicContact CB-CG1 4.5Å; I15-I84 HydrophobicContact CD1-CD1 4.41Å; I15-I84 HydrophobicContact CD1-CG1 4.09Å; I15-T85 VanDerWaalsContact O-CG2 3.28Å; I15-T85 WeakPolarHBondContact O-CG2 3.34Å; I15-T85 PolarHBondContact O-N 2.86Å; I15-L177 HydrophobicContact CG2-CD1 4.1Å; I15-L181 HydrophobicContact CD1-CD1 3.79Å
16D97.6Very high93.7Very high9 Ų927.7 Ų27.75%0.04815%0.152CC..EExtended strand (participates in β ladder)trans-108.392.3171.2174.430.6000109.2G18 T22 R23 T85 T469 A470D16-G18 PolarHBondContact O-N 2.69Å; D16-T22 CarbonylContact O-C 3.51Å; D16-T22 WeakPolarHBondContact O-CA 3.43Å; D16-R23 HydrophobicContact CB-CB 4.3Å; D16-R23 PolarHBondContact N-O 3.03Å; D16-R23 PolarHBondContact O-N 3.39Å; D16-R23 IonicContact OD2-CZ 2.7Å; D16-R23 IonicContact OD2-NH1 3.67Å; D16-R23 PolarHBondContact OD2-NH1 3.01Å; D16-R23 IonicContact OD2-NH2 3.45Å; D16-T85 HydrophobicContact CB-CG2 4.26Å; D16-T469 WeakPolarHBondContact OD1-CG2 3.33Å; D16-A470 HydrophobicContact CB-CB 4.22Å
17Q98Very high94.6Very high0 Ų020.4 Ų20.40%012%0.118CC..EExtended strand (participates in β ladder)trans-87.676.2177.8-154.4-54.2-76.100110T22 I59 T85 N86 Q87 I173 L177Q17-T22 PolarHBondContact NE2-OG1 3.09Å; Q17-I59 HydrophobicContact CG-CG2 3.48Å; Q17-I59 VanDerWaalsContact CG-CG2 3.48Å; Q17-T85 PolarHBondContact N-O 3.32Å; Q17-N86 HydrophobicContact CB-CB 4.23Å; Q17-N86 CarbonylContact O-C 3.57Å; Q17-N86 WeakPolarHBondContact O-CA 3.15Å; Q17-Q87 PolarHBondContact O-N 3.43Å; Q17-I173 HydrophobicContact CB-CG2 4.01Å; Q17-I173 HydrophobicContact CG-CG2 3.66Å; Q17-L177 HydrophobicContact CB-CD1 4.03Å; Q17-L177 HydrophobicContact CG-CD1 4.11Å
18G93.7Very high95.2Very high12 Ų1222.7 Ų22.712%0.12413%0.125CC..  trans-80160.4175.600000113.5D16 S20 S21D16-G18 PolarHBondContact O-N 2.69Å; G18-S20 VanDerWaalsContact C-N 3.27Å; G18-S20 PolarHBondContact O-N 3.47Å; G18-S21 WeakPolarHBondContact CA-O 3.45Å; G18-S21 PolarHBondContact N-O 3.11Å; G18-S21 CarbonylContact O-C 3.56Å; G18-S21 PolarHBondContact O-N 2.91Å
19T89.5Confident95.6Very high25 Ų2515.9 Ų15.915%0.1539%0.09CC..SBendtrans-60.7-30.9178.7-500000114.1T42 L44 Q87 V107 W108T19-T42 WeakPolarHBondContact O-CB 3.27Å; T19-L44 HydrophobicContact CG2-CD2 4.42Å; T19-Q87 VanDerWaalsContact CB-OE1 3.32Å; T19-Q87 WeakPolarHBondContact OG1-CB 3.24Å; T19-Q87 PolarHBondContact OG1-OE1 3.48Å; T19-V107 HydrophobicContact CG2-CG1 3.87Å; T19-W108 PolarHBondContact OG1-NE1 3.3Å
20S86.8Confident95.4Very high60 Ų6018 Ų1842%0.4210%0.1SC..SBendtrans-100.4-14.3179.5-52.30000114.2G18 T42G18-S20 VanDerWaalsContact C-N 3.27Å; G18-S20 PolarHBondContact O-N 3.47Å; S20-T42 PolarHBondContact O-N 3.46Å
21S93Very high95.1Very high16 Ų1617.6 Ų17.611%0.11210%0.097CC..EExtended strand (participates in β ladder)trans-165.2137.6-177.761.10000111.3G18 R23 R40 T42G18-S21 WeakPolarHBondContact CA-O 3.45Å; G18-S21 PolarHBondContact N-O 3.11Å; G18-S21 CarbonylContact O-C 3.56Å; G18-S21 PolarHBondContact O-N 2.91Å; S21-R23 PolarHBondContact OG-NE 3.22Å; S21-R23 PolarHBondContact OG-NH2 3.17Å; S21-R40 CarbonylContact C-O 3.53Å; S21-R40 WeakPolarHBondContact CA-O 3.44Å; S21-R40 VanDerWaalsContact CB-O 3.25Å; S21-R40 WeakPolarHBondContact CB-O 3.46Å; S21-T42 VanDerWaalsContact CA-OG1 3.26Å; S21-T42 WeakPolarHBondContact CA-OG1 3.48Å; S21-T42 PolarHBondContact N-OG1 3.47Å; S21-T42 VanDerWaalsContact N-OG1 3.13Å
22T97Very high94.8Very high0 Ų017.8 Ų17.80%010%0.098CC..EExtended strand (participates in β ladder)trans-85.6138.2160.6-60.40000109.3D16 Q17 H39 R40 D62 T63D16-T22 CarbonylContact O-C 3.51Å; D16-T22 WeakPolarHBondContact O-CA 3.43Å; Q17-T22 PolarHBondContact NE2-OG1 3.09Å; T22-H39 CarbonylContact O-C 3.56Å; T22-H39 VanDerWaalsContact O-CA 3.28Å; T22-H39 WeakPolarHBondContact O-CA 3.36Å; T22-R40 PolarHBondContact N-O 3.26Å; T22-R40 PolarHBondContact O-N 3.26Å; T22-D62 HydrophobicContact CG2-CB 4.27Å; T22-T63 WeakPolarHBondContact CG2-OG1 3.5Å
23R97.1Very high94.4Very high55 Ų5520.4 Ų20.421%0.20811%0.111CC..EExtended strand (participates in β ladder)trans-132.5158.3172.1-41.3-161.7-16691.531111.8I15 D16 S21 A38 H39 E467I15-R23 WeakPolarHBondContact CA-O 3.41Å; D16-R23 HydrophobicContact CB-CB 4.3Å; D16-R23 PolarHBondContact N-O 3.03Å; D16-R23 PolarHBondContact O-N 3.39Å; D16-R23 IonicContact OD2-CZ 2.7Å; D16-R23 IonicContact OD2-NH1 3.67Å; D16-R23 PolarHBondContact OD2-NH1 3.01Å; D16-R23 IonicContact OD2-NH2 3.45Å; S21-R23 PolarHBondContact OG-NE 3.22Å; S21-R23 PolarHBondContact OG-NH2 3.17Å; R23-A38 CarbonylContact C-O 3.46Å; R23-A38 WeakPolarHBondContact CA-O 3.47Å; R23-A38 WeakPolarHBondContact CB-O 3.37Å; R23-H39 HydrophobicContact CB-CB 4.24Å; R23-H39 HydrophobicContact CG-CB 3.7Å; R23-E467 WeakPolarHBondContact CD-OE1 3.35Å; R23-E467 IonicContact CZ-OE1 2.69Å; R23-E467 IonicContact NE-OE1 3.96Å; R23-E467 IonicContact NH1-OE1 2.66Å; R23-E467 PolarHBondContact NH1-OE1 3.32Å
24F98Very high94.1Very high1 Ų123.6 Ų23.60%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-128136.2160.4-169.8-108.4000109.6A14 I15 L26 S37 A38 C66 I67 A70 L79 I82A14-F24 CarbonylContact O-C 3.5Å; A14-F24 VanDerWaalsContact O-CA 3.29Å; A14-F24 WeakPolarHBondContact O-CA 3.41Å; A14-F24 VanDerWaalsContact O-CD2 3.26Å; A14-F24 WeakPolarHBondContact O-CD2 3.35Å; I15-F24 HydrophobicContact CB-CD2 4.39Å; I15-F24 HydrophobicContact CG1-CD2 3.53Å; I15-F24 HydrophobicContact CG1-CE2 3.84Å; F24-L26 HydrophobicContact CD1-CG 4.44Å; F24-L26 HydrophobicContact CE1-CD2 3.71Å; F24-L26 HydrophobicContact CE1-CG 4.01Å; F24-L26 HydrophobicContact CZ-CD2 4.3Å; F24-S37 CarbonylContact O-C 3.58Å; F24-S37 WeakPolarHBondContact O-CA 3.35Å; F24-S37 WeakPolarHBondContact O-CB 3.27Å; F24-A38 PolarHBondContact N-O 2.97Å; F24-A38 PolarHBondContact O-N 2.82Å; F24-C66 HydrophobicContact CB-CB 3.81Å; F24-I67 HydrophobicContact CB-CG1 4.29Å; F24-I67 HydrophobicContact CD1-CB 4.35Å; F24-I67 HydrophobicContact CD1-CG1 4.2Å; F24-I67 HydrophobicContact CD2-CG1 3.66Å; F24-I67 HydrophobicContact CE1-CB 4.47Å; F24-I67 HydrophobicContact CE1-CG1 4.36Å; F24-I67 HydrophobicContact CE1-CG2 4.21Å; F24-I67 HydrophobicContact CE2-CG1 3.87Å; F24-I67 HydrophobicContact CG-CB 4.39Å; F24-I67 HydrophobicContact CG-CG1 3.81Å; F24-I67 HydrophobicContact CZ-CG1 4.18Å; F24-I67 HydrophobicContact CZ-CG2 4.32Å; F24-A70 HydrophobicContact CD1-CB 3.83Å; F24-L79 HydrophobicContact CZ-CD2 4.26Å; F24-I82 HydrophobicContact CE2-CD1 4.22Å; F24-I82 HydrophobicContact CE2-CG1 4.13Å; F24-I82 HydrophobicContact CE2-CG2 4.3Å; F24-I82 HydrophobicContact CZ-CD1 4.23Å; F24-I82 HydrophobicContact CZ-CG1 4.13Å
25V97Very high93.9Very high0 Ų025.1 Ų25.10%014%0.141CC..EExtended strand (participates in β ladder)trans-128.8130.8-176.3-169.30000109G13 A14 F27 P34 E467 A470G13-V25 CarbonylContact C-O 3.57Å; G13-V25 WeakPolarHBondContact CA-O 3.44Å; A14-V25 PolarHBondContact N-O 3.1Å; A14-V25 PolarHBondContact O-N 3.09Å; V25-F27 HydrophobicContact CB-CD2 4.37Å; V25-F27 HydrophobicContact CB-CE2 3.7Å; V25-F27 HydrophobicContact CB-CZ 4.01Å; V25-F27 HydrophobicContact CG1-CD1 4.45Å; V25-F27 HydrophobicContact CG1-CD2 4.09Å; V25-F27 HydrophobicContact CG1-CE1 3.94Å; V25-F27 HydrophobicContact CG1-CE2 3.54Å; V25-F27 HydrophobicContact CG1-CZ 3.46Å; V25-F27 VanDerWaalsContact CG1-CZ 3.46Å; V25-P34 HydrophobicContact CG1-CB 3.92Å; V25-E467 VanDerWaalsContact CG2-OE2 3.27Å; V25-E467 WeakPolarHBondContact CG2-OE2 3.24Å; V25-A470 HydrophobicContact CB-CB 4.31Å; V25-A470 HydrophobicContact CG2-CB 3.86Å
26L97.1Very high93.8Very high0 Ų025.7 Ų25.70%015%0.146CC..EExtended strand (participates in β ladder)trans-100121.4173.3-72.3171.7000109.4L11 F24 P34 V35 A36 V74 L79L11-L26 HydrophobicContact CB-CD2 4.44Å; L11-L26 HydrophobicContact CD1-CD1 4.44Å; L11-L26 HydrophobicContact CD1-CD2 4.46Å; F24-L26 HydrophobicContact CD1-CG 4.44Å; F24-L26 HydrophobicContact CE1-CD2 3.71Å; F24-L26 HydrophobicContact CE1-CG 4.01Å; F24-L26 HydrophobicContact CZ-CD2 4.3Å; L26-P34 CarbonylContact O-C 3.55Å; L26-P34 WeakPolarHBondContact O-CA 3.33Å; L26-V35 HydrophobicContact CB-CG2 3.94Å; L26-V35 WeakPolarHBondContact O-CG2 3.48Å; L26-V35 PolarHBondContact O-N 3.41Å; L26-A36 HydrophobicContact CB-CB 4.46Å; L26-A36 HydrophobicContact CD1-CB 4.28Å; L26-A36 PolarHBondContact N-O 3.26Å; L26-V74 HydrophobicContact CD1-CG2 4Å; L26-L79 HydrophobicContact CD2-CD1 3.82Å
27F95Very high93.7Very high6 Ų627.6 Ų27.63%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-109.5145.1176.3-62.8-83.6000110.7L11 I12 A14 V25 F32 L33 P34 A470 L471 A474L11-F27 WeakPolarHBondContact CA-O 3.14Å; I12-F27 PolarHBondContact N-O 3.28Å; I12-F27 PolarHBondContact O-N 3.12Å; A14-F27 HydrophobicContact CB-CD2 4.43Å; A14-F27 HydrophobicContact CB-CE2 3.93Å; V25-F27 HydrophobicContact CB-CD2 4.37Å; V25-F27 HydrophobicContact CB-CE2 3.7Å; V25-F27 HydrophobicContact CB-CZ 4.01Å; V25-F27 HydrophobicContact CG1-CD1 4.45Å; V25-F27 HydrophobicContact CG1-CD2 4.09Å; V25-F27 HydrophobicContact CG1-CE1 3.94Å; V25-F27 HydrophobicContact CG1-CE2 3.54Å; V25-F27 HydrophobicContact CG1-CZ 3.46Å; V25-F27 VanDerWaalsContact CG1-CZ 3.46Å; F27-F32 VanDerWaalsContact CD1-O 3.31Å; F27-F32 WeakPolarHBondContact CD1-O 3.49Å; F27-L33 WeakPolarHBondContact CA-O 3.35Å; F27-P34 HydrophobicContact CD1-CB 4.08Å; F27-P34 HydrophobicContact CE1-CB 3.98Å; F27-P34 HydrophobicContact CE1-CG 4.46Å; F27-A470 HydrophobicContact CE2-CB 4.12Å; F27-A470 HydrophobicContact CZ-CB 4.09Å; F27-L471 HydrophobicContact CD1-CD1 4.33Å; F27-L471 HydrophobicContact CE1-CB 4.31Å; F27-L471 HydrophobicContact CE1-CD1 4.18Å; F27-L471 HydrophobicContact CZ-CB 4.1Å; F27-A474 HydrophobicContact CD2-CB 3.47Å; F27-A474 VanDerWaalsContact CD2-CB 3.47Å; F27-A474 HydrophobicContact CE2-CB 3.86Å; F27-A474 HydrophobicContact CG-CB 4.2Å
28R94.2Very high93.7Very high64 Ų6427.9 Ų27.924%0.24216%0.163CC..EExtended strand (participates in β ladder)trans-67.4139.3167-58.8174.558.3101.4-3.2110.6V7 V9 D30 T31 F32 L33 V35V7-R28 HydrophobicContact CG1-CG 4.27Å; V9-R28 HydrophobicContact CG2-CB 3.89Å; V9-R28 HydrophobicContact CG2-CG 3.96Å; R28-D30 VanDerWaalsContact C-N 3.26Å; R28-D30 WeakPolarHBondContact CB-OD1 3.34Å; R28-D30 IonicContact CZ-OD1 3.3Å; R28-D30 IonicContact CZ-OD2 3.77Å; R28-D30 IonicContact NE-OD1 3.17Å; R28-D30 PolarHBondContact NE-OD1 2.77Å; R28-D30 IonicContact NE-OD2 3.75Å; R28-D30 PolarHBondContact NE-OD2 2.71Å; R28-D30 IonicContact NH2-OD1 2.63Å; R28-D30 IonicContact NH2-OD2 3.97Å; R28-D30 PolarHBondContact NH2-OD2 3.19Å; R28-D30 PolarHBondContact O-N 3.01Å; R28-T31 WeakPolarHBondContact CD-OG1 3.39Å; R28-T31 PolarHBondContact NE-OG1 3.24Å; R28-F32 WeakPolarHBondContact O-CA 3.09Å; R28-F32 PolarHBondContact O-N 3.39Å; R28-L33 PolarHBondContact N-O 2.93Å; R28-V35 HydrophobicContact CG-CG1 3.53Å
29S92.8Very high93.8Very high14 Ų1432.9 Ų32.910%0.09818%0.183CC..THydrogen-bonded Turntrans-72.5-13.9178.471.80000114.8P10 F32P10-S29 VanDerWaalsContact O-CB 3.3Å; P10-S29 WeakPolarHBondContact O-CB 3.48Å; P10-S29 PolarHBondContact O-N 3.01Å; P10-S29 PolarHBondContact O-OG 2.75Å; S29-F32 WeakPolarHBondContact O-CE2 3.49Å
30D89.8Confident94.2Very high74 Ų7435.8 Ų35.840%0.39619%0.191SC..THydrogen-bonded Turntrans-91-35.9-175.864.2-10000113.7R28R28-D30 VanDerWaalsContact C-N 3.26Å; R28-D30 WeakPolarHBondContact CB-OD1 3.34Å; R28-D30 IonicContact CZ-OD1 3.3Å; R28-D30 IonicContact CZ-OD2 3.77Å; R28-D30 IonicContact NE-OD1 3.17Å; R28-D30 PolarHBondContact NE-OD1 2.77Å; R28-D30 IonicContact NE-OD2 3.75Å; R28-D30 PolarHBondContact NE-OD2 2.71Å; R28-D30 IonicContact NH2-OD1 2.63Å; R28-D30 IonicContact NH2-OD2 3.97Å; R28-D30 PolarHBondContact NH2-OD2 3.19Å; R28-D30 PolarHBondContact O-N 3.01Å
31T89.6Confident94.6Very high33 Ų3341 Ų4120%0.20221%0.208CC..THydrogen-bonded Turntrans-128.3-14.3-168.649.10000112.5R28 L33 L494R28-T31 WeakPolarHBondContact CD-OG1 3.39Å; R28-T31 PolarHBondContact NE-OG1 3.24Å; T31-L33 PolarHBondContact O-N 3.27Å; T31-L33 VanDerWaalsContact O-N 3.15Å; T31-L494 HydrophobicContact CG2-CD2 4.21Å; T31-L494 WeakPolarHBondContact O-CD2 3.3Å
32F90.9Very high94.5Very high4 Ų440.6 Ų40.62%0.01821%0.206CC..  trans5330.5-174.9-62.3-98.6000113.4I12 F27 R28 S29 L471 L475 A478 Y484 L491I12-F32 HydrophobicContact CG1-CE1 4.45Å; F27-F32 VanDerWaalsContact CD1-O 3.31Å; F27-F32 WeakPolarHBondContact CD1-O 3.49Å; R28-F32 WeakPolarHBondContact O-CA 3.09Å; R28-F32 PolarHBondContact O-N 3.39Å; S29-F32 WeakPolarHBondContact O-CE2 3.49Å; F32-L471 HydrophobicContact CB-CD1 3.71Å; F32-L471 HydrophobicContact CD1-CD1 4.35Å; F32-L471 HydrophobicContact CG-CD1 4.43Å; F32-L475 HydrophobicContact CD1-CD2 3.72Å; F32-L475 HydrophobicContact CD1-CG 4.29Å; F32-L475 HydrophobicContact CD2-CD2 4.24Å; F32-L475 HydrophobicContact CE1-CD2 3.85Å; F32-L475 HydrophobicContact CE2-CD2 4.36Å; F32-L475 HydrophobicContact CG-CD2 3.93Å; F32-L475 HydrophobicContact CZ-CD2 4.18Å; F32-A478 HydrophobicContact CE1-CB 3.6Å; F32-A478 HydrophobicContact CZ-CB 3.59Å; F32-Y484 AromaticContact CE2-CD2 3.86Å; F32-Y484 HydrophobicContact CE2-CD2 3.86Å; F32-Y484 HydrophobicContact CZ-CD2 4.06Å; F32-Y484 HydrophobicContact CZ-CG 4.26Å; F32-L491 HydrophobicContact CB-CD1 4.3Å; F32-L491 HydrophobicContact CD2-CD1 3.38Å; F32-L491 HydrophobicContact CD2-CD2 4.12Å; F32-L491 HydrophobicContact CD2-CG 4.34Å; F32-L491 HydrophobicContact CE2-CD1 3.98Å; F32-L491 HydrophobicContact CG-CD1 4.02Å
33L90Very high94.2Very high55 Ų5548.4 Ų48.429%0.28824%0.239SC..  trans-79136.1166-62.4177.2000109.3F27 R28 T31 L465F27-L33 WeakPolarHBondContact CA-O 3.35Å; R28-L33 PolarHBondContact N-O 2.93Å; T31-L33 PolarHBondContact O-N 3.27Å; T31-L33 VanDerWaalsContact O-N 3.15Å; L33-L465 HydrophobicContact CD2-CD1 3.94Å; L33-L465 HydrophobicContact CD2-CD2 3.39Å; L33-L465 HydrophobicContact CD2-CG 4.32Å
34P92.2Very high94Very high68 Ų6848.8 Ų48.844%0.44225%0.245SC..EExtended strand (participates in β ladder)trans-70.3133.9175.329.2-33.7000110.4V25 L26 F27V25-P34 HydrophobicContact CG1-CB 3.92Å; L26-P34 CarbonylContact O-C 3.55Å; L26-P34 WeakPolarHBondContact O-CA 3.33Å; F27-P34 HydrophobicContact CD1-CB 4.08Å; F27-P34 HydrophobicContact CE1-CB 3.98Å; F27-P34 HydrophobicContact CE1-CG 4.46Å
35V94.5Very high93.9Very high31 Ų3151.4 Ų51.419%0.18826%0.259CS..EExtended strand (participates in β ladder)trans-109.6-25.6178.3-69.90000113.2V7 L11 L26 R28 V74V7-V35 HydrophobicContact CG1-CG1 4.47Å; V7-V35 HydrophobicContact CG2-CB 4.05Å; V7-V35 HydrophobicContact CG2-CG1 3.95Å; V7-V35 HydrophobicContact CG2-CG2 4.28Å; L11-V35 HydrophobicContact CD2-CG2 3.87Å; L26-V35 HydrophobicContact CB-CG2 3.94Å; L26-V35 WeakPolarHBondContact O-CG2 3.48Å; L26-V35 PolarHBondContact O-N 3.41Å; R28-V35 HydrophobicContact CG-CG1 3.53Å; V35-V74 HydrophobicContact CG2-CG2 4.33Å
36A95.5Very high93.7Very high12 Ų1255.7 Ų55.710%0.09928%0.281CS..EExtended strand (participates in β ladder)trans-156.3150.9173.800000110.1L26 K73 V74L26-A36 HydrophobicContact CB-CB 4.46Å; L26-A36 HydrophobicContact CD1-CB 4.28Å; L26-A36 PolarHBondContact N-O 3.26Å; A36-K73 HydrophobicContact CB-CB 3.92Å; A36-K73 HydrophobicContact CB-CD 4.38Å; A36-V74 HydrophobicContact CB-CG2 3.76Å
37S96.1Very high93.7Very high49 Ų4958.9 Ų58.934%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-147.7161.6169.565.50000111.7F24 K73F24-S37 CarbonylContact O-C 3.58Å; F24-S37 WeakPolarHBondContact O-CA 3.35Å; F24-S37 WeakPolarHBondContact O-CB 3.27Å; S37-K73 PolarHBondContact O-NZ 3.28Å
38A97.3Very high93.4Very high7 Ų764.5 Ų64.56%0.05833%0.326CS..EExtended strand (participates in β ladder)trans-141.2152.9170.300000109.8R23 F24 C66 T69 A70R23-A38 CarbonylContact C-O 3.46Å; R23-A38 WeakPolarHBondContact CA-O 3.47Å; R23-A38 WeakPolarHBondContact CB-O 3.37Å; F24-A38 PolarHBondContact N-O 2.97Å; F24-A38 PolarHBondContact O-N 2.82Å; A38-C66 HydrophobicContact CB-CB 4.33Å; A38-C66 WeakPolarHBondContact CB-O 3.34Å; A38-T69 HydrophobicContact CB-CG2 3.69Å; A38-A70 HydrophobicContact CB-CB 3.99Å
39H96.7Very high92.8Very high117 Ų11766 Ų6654%0.54235%0.346SS..EExtended strand (participates in β ladder)trans-142.5155.5175.768.364.5000112.8T22 R23T22-H39 CarbonylContact O-C 3.56Å; T22-H39 VanDerWaalsContact O-CA 3.28Å; T22-H39 WeakPolarHBondContact O-CA 3.36Å; R23-H39 HydrophobicContact CB-CB 4.24Å; R23-H39 HydrophobicContact CG-CB 3.7Å
40R97.3Very high92.2Very high85 Ų8568.5 Ų68.532%0.32136%0.359SS..EExtended strand (participates in β ladder)trans-129.8140.9167.7-71.6-66.6179.6-101.27.7109.2S21 T22 D62 E65S21-R40 CarbonylContact C-O 3.53Å; S21-R40 WeakPolarHBondContact CA-O 3.44Å; S21-R40 VanDerWaalsContact CB-O 3.25Å; S21-R40 WeakPolarHBondContact CB-O 3.46Å; T22-R40 PolarHBondContact N-O 3.26Å; T22-R40 PolarHBondContact O-N 3.26Å; R40-D62 HydrophobicContact CB-CB 3.95Å; R40-D62 HydrophobicContact CG-CB 4.38Å; R40-E65 IonicContact CZ-OE1 3.91Å; R40-E65 IonicContact CZ-OE2 3.55Å; R40-E65 IonicContact NE-OE1 3.5Å; R40-E65 PolarHBondContact NE-OE1 3.48Å; R40-E65 IonicContact NE-OE2 2.86Å; R40-E65 PolarHBondContact NE-OE2 2.99Å; R40-E65 IonicContact NH2-OE1 2.79Å; R40-E65 PolarHBondContact NH2-OE1 3.47Å; R40-E65 IonicContact NH2-OE2 3.54Å
41Q94.4Very high92.4Very high169 Ų16966.9 Ų66.979%0.7935%0.347SS*.EExtended strand (participates in β ladder)trans-82.3126.3178.7-179.6173.3-13.500109.3
42T90.9Very high92.6Very high9 Ų968.8 Ų68.86%0.05535%0.351CS..  trans-74131.5-180-48.70000110T19 S20 S21 I54T19-T42 WeakPolarHBondContact O-CB 3.27Å; S20-T42 PolarHBondContact O-N 3.46Å; S21-T42 VanDerWaalsContact CA-OG1 3.26Å; S21-T42 WeakPolarHBondContact CA-OG1 3.48Å; S21-T42 PolarHBondContact N-OG1 3.47Å; S21-T42 VanDerWaalsContact N-OG1 3.13Å; T42-I54 HydrophobicContact CG2-CD1 3.82Å; T42-I54 HydrophobicContact CG2-CG1 4.02Å; T42-I54 HydrophobicContact CG2-CG2 3.63Å
43K92.5Very high93Very high163 Ų16368.7 Ų68.771%0.70935%0.351SS*.  trans-86.8112.9171.7-175.6179.9178.8-176.60109.8
44L91.6Very high93.3Very high64 Ų6466.1 Ų66.134%0.33534%0.337SS..  trans-74.9142.5166.8-72.9167.4000110.2T19 L46 I54 V107T19-L44 HydrophobicContact CG2-CD2 4.42Å; L44-L46 HydrophobicContact CB-CD1 4.22Å; L44-I54 HydrophobicContact CD2-CD1 4.21Å; L44-I54 HydrophobicContact CD2-CG1 3.84Å; L44-V107 HydrophobicContact CD2-CG2 4.1Å
45I96.6Very high93.6Very high56 Ų5665 Ų6529%0.28733%0.328SS..BIsolated β-bridgetrans-113.6131174.6-58.4168.4000106.5P47 E53I45-P47 HydrophobicContact CG2-CG 4.3Å; I45-E53 HydrophobicContact CB-CB 3.97Å; I45-E53 HydrophobicContact CG2-CB 4.42Å; I45-E53 PolarHBondContact N-O 2.93Å; I45-E53 PolarHBondContact O-N 2.83Å
46L93.7Very high93.8Very high90 Ų9063.5 Ų63.547%0.47132%0.319SS..  trans-124.690.2179.2-63.290.7000109.5L44 K48 W51 Y52L44-L46 HydrophobicContact CB-CD1 4.22Å; L46-K48 PolarHBondContact O-N 2.83Å; L46-W51 WeakPolarHBondContact CA-O 3.36Å; L46-Y52 HydrophobicContact CD2-CD1 4.04Å; L46-Y52 HydrophobicContact CD2-CE1 3.68Å; L46-Y52 HydrophobicContact CG-CD1 4.24Å; L46-Y52 HydrophobicContact CG-CE1 4.36Å
47P95.1Very high93.9Very high66 Ų6665.9 Ų65.943%0.42933%0.328SS..SBendtrans-68.3-25.1178.8-2033.3000113.3I45I45-P47 HydrophobicContact CG2-CG 4.3Å
48K89.9Confident94Very high125 Ų12566.5 Ų66.554%0.54333%0.325SS..SBendtrans-150.2164.8175.5-60.8-176.8-175.1173.20108.2L46 W51L46-K48 PolarHBondContact O-N 2.83Å; K48-W51 HydrophobicContact CB-CB 4.28Å; K48-W51 HydrophobicContact CB-CD2 4.16Å; K48-W51 HydrophobicContact CB-CG 3.9Å; K48-W51 HydrophobicContact CD-CD2 4.11Å; K48-W51 HydrophobicContact CD-CE3 4.48Å; K48-W51 HydrophobicContact CD-CH2 4.36Å; K48-W51 HydrophobicContact CD-CZ2 3.94Å; K48-W51 HydrophobicContact CG-CD2 4.32Å; K48-W51 WeakPolarHBondContact O-CA 3.49Å; K48-W51 WeakPolarHBondContact O-CB 3.29Å; K48-W51 PolarHBondContact O-N 2.95Å
49S82Confident94.1Very high94 Ų9466.2 Ų66.266%0.65732%0.322SS*.THydrogen-bonded Turntrans52-133.9153.21730000115.7
50D80.6Confident94.1Very high68 Ų6861.4 Ų61.436%0.36430%0.301SS..THydrogen-bonded Turncis77.5-16.515.484.547.8000119N111D50-N111 PolarHBondContact O-N 2.85Å; D50-N111 VanDerWaalsContact O-N 3.15Å
51W93.4Very high94.2Very high39 Ų3963 Ų6315%0.14831%0.307CS..  trans-102.3130.4163.4-69.225.4000109.1L46 K48 D110 R112 W151L46-W51 WeakPolarHBondContact CA-O 3.36Å; K48-W51 HydrophobicContact CB-CB 4.28Å; K48-W51 HydrophobicContact CB-CD2 4.16Å; K48-W51 HydrophobicContact CB-CG 3.9Å; K48-W51 HydrophobicContact CD-CD2 4.11Å; K48-W51 HydrophobicContact CD-CE3 4.48Å; K48-W51 HydrophobicContact CD-CH2 4.36Å; K48-W51 HydrophobicContact CD-CZ2 3.94Å; K48-W51 HydrophobicContact CG-CD2 4.32Å; K48-W51 WeakPolarHBondContact O-CA 3.49Å; K48-W51 WeakPolarHBondContact O-CB 3.29Å; K48-W51 PolarHBondContact O-N 2.95Å; W51-D110 VanDerWaalsContact CA-OD2 3.22Å; W51-D110 WeakPolarHBondContact CA-OD2 3.42Å; W51-R112 HydrophobicContact CD2-CB 3.83Å; W51-R112 HydrophobicContact CE3-CB 4.5Å; W51-R112 VanDerWaalsContact CE3-CZ 3.41Å; W51-R112 HydrophobicContact CG-CB 4.18Å; W51-R112 HydrophobicContact CH2-CB 4.3Å; W51-R112 HydrophobicContact CZ2-CB 3.61Å; W51-W151 HydrophobicContact CH2-CH2 4.48Å; W51-W151 AromaticContact CH2-CZ2 3.7Å; W51-W151 HydrophobicContact CH2-CZ2 3.7Å; W51-W151 HydrophobicContact CZ3-CH2 4.17Å; W51-W151 AromaticContact CZ3-CZ2 3.83Å; W51-W151 HydrophobicContact CZ3-CZ2 3.83Å
52Y94Very high94.4Very high74 Ų7455.3 Ų55.329%0.2927%0.271SS..  trans-128.2116.3-175.9-64.9-86000110.2L46 V107 C109 D110L46-Y52 HydrophobicContact CD2-CD1 4.04Å; L46-Y52 HydrophobicContact CD2-CE1 3.68Å; L46-Y52 HydrophobicContact CG-CD1 4.24Å; L46-Y52 HydrophobicContact CG-CE1 4.36Å; Y52-V107 VanDerWaalsContact O-CB 3.31Å; Y52-V107 WeakPolarHBondContact O-CB 3.29Å; Y52-V107 WeakPolarHBondContact O-CG2 3.42Å; Y52-V107 PolarHBondContact O-N 3.47Å; Y52-C109 WeakPolarHBondContact CD2-O 3.38Å; Y52-C109 VanDerWaalsContact CG-SG 3.59Å; Y52-D110 PolarHBondContact N-OD2 2.86Å
53E98Very high94.7Very high2 Ų255 Ų551%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-129.1155.5-175.9-75.3176.7-160.700112I45 Y103 N104 A105 R112I45-E53 HydrophobicContact CB-CB 3.97Å; I45-E53 HydrophobicContact CG2-CB 4.42Å; I45-E53 PolarHBondContact N-O 2.93Å; I45-E53 PolarHBondContact O-N 2.83Å; E53-Y103 VanDerWaalsContact OE1-CE1 3.26Å; E53-Y103 WeakPolarHBondContact OE1-CE1 3.2Å; E53-Y103 PolarHBondContact OE1-OH 2.93Å; E53-N104 HydrophobicContact CB-CB 3.85Å; E53-N104 HydrophobicContact CG-CB 4.07Å; E53-N104 WeakPolarHBondContact OE2-CB 3.48Å; E53-N104 PolarHBondContact OE2-ND2 2.84Å; E53-A105 VanDerWaalsContact CA-O 3.31Å; E53-A105 WeakPolarHBondContact CA-O 3.28Å; E53-R112 VanDerWaalsContact CG-NH2 3.3Å; E53-R112 IonicContact OE1-CZ 3.67Å; E53-R112 VanDerWaalsContact OE1-CZ 3.23Å; E53-R112 IonicContact OE1-NH1 3.29Å; E53-R112 PolarHBondContact OE1-NH1 2.98Å; E53-R112 IonicContact OE1-NH2 3.54Å; E53-R112 PolarHBondContact OE1-NH2 3.1Å
54I97.9Very high95Very high1 Ų149 Ų491%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-136.8139.2169.9-55.3161.1000108.7T42 L44 A56 I59 Q87 A105 V107T42-I54 HydrophobicContact CG2-CD1 3.82Å; T42-I54 HydrophobicContact CG2-CG1 4.02Å; T42-I54 HydrophobicContact CG2-CG2 3.63Å; L44-I54 HydrophobicContact CD2-CD1 4.21Å; L44-I54 HydrophobicContact CD2-CG1 3.84Å; I54-A56 PolarHBondContact O-N 2.66Å; I54-A56 VanDerWaalsContact O-N 3.15Å; I54-I59 HydrophobicContact CB-CD1 4.12Å; I54-I59 HydrophobicContact CD1-CD1 4.43Å; I54-I59 HydrophobicContact CG2-CD1 3.7Å; I54-I59 HydrophobicContact CG2-CG1 3.58Å; I54-Q87 VanDerWaalsContact CD1-NE2 3.31Å; I54-A105 PolarHBondContact N-O 2.91Å; I54-A105 WeakPolarHBondContact O-CB 3.43Å; I54-A105 PolarHBondContact O-N 3.1Å; I54-V107 HydrophobicContact CD1-CG2 3.61Å; I54-V107 HydrophobicContact CG1-CG2 3.64Å
55D98.3Very high95.3Very high44 Ų4449.9 Ų49.924%0.23525%0.247CC..  trans-62.6113.9169170.313.5000109.9H57 Q58 I59 R61D55-H57 PolarHBondContact O-N 3.04Å; D55-H57 WeakPolarHBondContact OD1-CA 3.37Å; D55-H57 WeakPolarHBondContact OD1-CB 3.42Å; D55-H57 IonicContact OD1-CD2 3.46Å; D55-H57 PolarHBondContact OD1-N 2.84Å; D55-Q58 HydrophobicContact CB-CB 3.8Å; D55-Q58 VanDerWaalsContact CG-N 3.29Å; D55-Q58 WeakPolarHBondContact O-CB 3.25Å; D55-Q58 PolarHBondContact O-N 3.21Å; D55-Q58 PolarHBondContact OD1-N 2.77Å; D55-Q58 PolarHBondContact OD2-N 3.2Å; D55-I59 PolarHBondContact O-N 2.98Å; D55-I59 VanDerWaalsContact O-N 3.08Å; D55-R61 IonicContact OD2-CZ 2.84Å; D55-R61 IonicContact OD2-NH1 2.77Å; D55-R61 IonicContact OD2-NH2 3.64Å; D55-R61 PolarHBondContact OD2-NH2 3.45Å
56A98.3Very high95.4Very high0 Ų047.2 Ų47.20%023%0.233CC..Hα-helixtrans-61-31.5179.500000112.6I54 I59 L60 V92 A101 W176I54-A56 PolarHBondContact O-N 2.66Å; I54-A56 VanDerWaalsContact O-N 3.15Å; A56-I59 PolarHBondContact O-N 2.8Å; A56-L60 PolarHBondContact O-N 2.75Å; A56-V92 HydrophobicContact CB-CG1 3.79Å; A56-V92 HydrophobicContact CB-CG2 3.93Å; A56-A101 HydrophobicContact CB-CB 3.99Å; A56-W176 HydrophobicContact CB-CZ2 4.06Å; A56-W176 PolarHBondContact O-NE1 3.22Å
57H98Very high95.6Very high62 Ų6243 Ų4329%0.28721%0.211SC..Hα-helixtrans-75.2-29.5174.1-65-76.7000112.2D55 L60 R61 G99 K100 W176D55-H57 PolarHBondContact O-N 3.04Å; D55-H57 WeakPolarHBondContact OD1-CA 3.37Å; D55-H57 WeakPolarHBondContact OD1-CB 3.42Å; D55-H57 IonicContact OD1-CD2 3.46Å; D55-H57 PolarHBondContact OD1-N 2.84Å; H57-L60 PolarHBondContact O-N 3.02Å; H57-R61 VanDerWaalsContact CB-NH1 3.29Å; H57-R61 WeakPolarHBondContact O-CG 3.38Å; H57-R61 PolarHBondContact O-N 3.09Å; H57-R61 PolarHBondContact O-NH1 2.92Å; H57-G99 VanDerWaalsContact NE2-C 3.28Å; H57-G99 PolarHBondContact NE2-O 3.41Å; H57-K100 VanDerWaalsContact NE2-CA 3.27Å; H57-K100 WeakPolarHBondContact NE2-CA 3.38Å; H57-W176 AromaticContact CE1-CZ2 3.97Å; H57-W176 AromaticContact NE2-CH2 3.74Å
58Q97.8Very high95.8Very high62 Ų6243.2 Ų43.229%0.2921%0.206SC..Hα-helixtrans-65.3-42.6170.7-172.162.443.600110.8D55 L60 R61 D62D55-Q58 HydrophobicContact CB-CB 3.8Å; D55-Q58 VanDerWaalsContact CG-N 3.29Å; D55-Q58 WeakPolarHBondContact O-CB 3.25Å; D55-Q58 PolarHBondContact O-N 3.21Å; D55-Q58 PolarHBondContact OD1-N 2.77Å; D55-Q58 PolarHBondContact OD2-N 3.2Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 2.35Å; Q58-R61 PolarHBondContact O-N 2.95Å; Q58-D62 PolarHBondContact NE2-OD1 2.97Å; Q58-D62 WeakPolarHBondContact O-CB 3.49Å; Q58-D62 VanDerWaalsContact O-CG 3.29Å; Q58-D62 PolarHBondContact O-N 3.43Å
59I98.3Very high96.2Very high0 Ų039.5 Ų39.50%019%0.194CC..Hα-helixtrans-54-48.3174.5-65.5177000110.5Q17 I54 D55 A56 D62 T63 I173 L177Q17-I59 HydrophobicContact CG-CG2 3.48Å; Q17-I59 VanDerWaalsContact CG-CG2 3.48Å; I54-I59 HydrophobicContact CB-CD1 4.12Å; I54-I59 HydrophobicContact CD1-CD1 4.43Å; I54-I59 HydrophobicContact CG2-CD1 3.7Å; I54-I59 HydrophobicContact CG2-CG1 3.58Å; D55-I59 PolarHBondContact O-N 2.98Å; D55-I59 VanDerWaalsContact O-N 3.08Å; A56-I59 PolarHBondContact O-N 2.8Å; I59-D62 PolarHBondContact O-N 3.48Å; I59-T63 WeakPolarHBondContact O-CB 3.2Å; I59-T63 PolarHBondContact O-N 3.45Å; I59-T63 PolarHBondContact O-OG1 2.93Å; I59-T63 VanDerWaalsContact O-OG1 3.12Å; I59-I173 HydrophobicContact CD1-CD1 3.66Å; I59-I173 HydrophobicContact CG2-CG2 4.34Å; I59-L177 HydrophobicContact CG2-CD2 4.26Å
60L98.2Very high96.9Very high17 Ų1735 Ų359%0.08916%0.163CC..Hα-helixtrans-62.9-47.8177.7-179.763000112.2A56 H57 Q58 D62 T63 L64 L177 N180A56-L60 PolarHBondContact O-N 2.75Å; H57-L60 PolarHBondContact O-N 3.02Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 2.35Å; L60-D62 PolarHBondContact O-N 3.31Å; L60-T63 PolarHBondContact O-N 2.87Å; L60-L64 HydrophobicContact CD1-CD1 4.29Å; L60-L64 HydrophobicContact CD1-CG 4.28Å; L60-L64 HydrophobicContact CG-CD1 4.17Å; L60-L64 WeakPolarHBondContact O-CG 3.04Å; L60-L64 PolarHBondContact O-N 3.07Å; L60-L177 HydrophobicContact CD1-CD2 4.34Å; L60-N180 HydrophobicContact CD1-CB 3.7Å; L60-N180 HydrophobicContact CD2-CB 3.78Å; L60-N180 WeakPolarHBondContact CD2-OD1 3.1Å; L60-N180 HydrophobicContact CG-CB 4.39Å
61R98.1Very high97.7Very high119 Ų11932 Ų3245%0.44915%0.147SC..Hα-helixtrans-56.5-48.5177.5-73.5-175.4-60.9-934.9111.6D55 H57 Q58 T63 L64 E65D55-R61 IonicContact OD2-CZ 2.84Å; D55-R61 IonicContact OD2-NH1 2.77Å; D55-R61 IonicContact OD2-NH2 3.64Å; D55-R61 PolarHBondContact OD2-NH2 3.45Å; H57-R61 VanDerWaalsContact CB-NH1 3.29Å; H57-R61 WeakPolarHBondContact O-CG 3.38Å; H57-R61 PolarHBondContact O-N 3.09Å; H57-R61 PolarHBondContact O-NH1 2.92Å; Q58-R61 PolarHBondContact O-N 2.95Å; R61-T63 VanDerWaalsContact C-N 3.33Å; R61-T63 PolarHBondContact O-N 2.69Å; R61-L64 PolarHBondContact O-N 2.88Å; R61-E65 WeakPolarHBondContact O-CB 3.43Å; R61-E65 PolarHBondContact O-N 2.7Å
62D98.3Very high97.8Very high7 Ų733.6 Ų33.64%0.03717%0.169CC..Hα-helixtrans-61.6-39.7178.5-71.8-22000111.8T22 R40 Q58 I59 L60 C66T22-D62 HydrophobicContact CG2-CB 4.27Å; R40-D62 HydrophobicContact CB-CB 3.95Å; R40-D62 HydrophobicContact CG-CB 4.38Å; Q58-D62 PolarHBondContact NE2-OD1 2.97Å; Q58-D62 WeakPolarHBondContact O-CB 3.49Å; Q58-D62 VanDerWaalsContact O-CG 3.29Å; Q58-D62 PolarHBondContact O-N 3.43Å; I59-D62 PolarHBondContact O-N 3.48Å; L60-D62 PolarHBondContact O-N 3.31Å; D62-C66 WeakPolarHBondContact O-CB 3.3Å; D62-C66 PolarHBondContact O-N 3.33Å; D62-C66 PolarHBondContact O-SG 3Å
63T98.6Very high97.9Very high1 Ų133.8 Ų33.81%0.00617%0.171CC..Hα-helixtrans-62.3-49.8176-70.40000111.3I15 T22 I59 L60 R61 C66 I67 L177I15-T63 HydrophobicContact CD1-CG2 3.72Å; I15-T63 HydrophobicContact CG1-CG2 4.14Å; I15-T63 HydrophobicContact CG2-CG2 3.9Å; T22-T63 WeakPolarHBondContact CG2-OG1 3.5Å; I59-T63 WeakPolarHBondContact O-CB 3.2Å; I59-T63 PolarHBondContact O-N 3.45Å; I59-T63 PolarHBondContact O-OG1 2.93Å; I59-T63 VanDerWaalsContact O-OG1 3.12Å; L60-T63 PolarHBondContact O-N 2.87Å; R61-T63 VanDerWaalsContact C-N 3.33Å; R61-T63 PolarHBondContact O-N 2.69Å; T63-C66 PolarHBondContact O-N 3.44Å; T63-I67 HydrophobicContact CG2-CD1 3.94Å; T63-I67 VanDerWaalsContact O-CG1 3.31Å; T63-I67 WeakPolarHBondContact O-CG1 3.35Å; T63-I67 PolarHBondContact O-N 2.83Å; T63-L177 HydrophobicContact CG2-CD2 4.12Å
64L98.4Very high97.7Very high39 Ų3934 Ų3420%0.20417%0.173CC..Hα-helixtrans-62.1-45.3-180-62.1173000111.4L60 R61 C66 I67 E68 L181 L240 I242L60-L64 HydrophobicContact CD1-CD1 4.29Å; L60-L64 HydrophobicContact CD1-CG 4.28Å; L60-L64 HydrophobicContact CG-CD1 4.17Å; L60-L64 WeakPolarHBondContact O-CG 3.04Å; L60-L64 PolarHBondContact O-N 3.07Å; R61-L64 PolarHBondContact O-N 2.88Å; L64-C66 VanDerWaalsContact C-N 3.33Å; L64-C66 PolarHBondContact O-N 3.42Å; L64-I67 PolarHBondContact O-N 2.76Å; L64-E68 PolarHBondContact O-N 2.98Å; L64-E68 VanDerWaalsContact O-N 3.1Å; L64-L181 HydrophobicContact CD2-CD2 3.9Å; L64-L240 HydrophobicContact CD1-CD1 4.19Å; L64-L240 HydrophobicContact CD2-CD1 3.71Å; L64-I242 HydrophobicContact CD2-CD1 3.9Å; L64-I242 HydrophobicContact CD2-CG2 4.31Å
65E98.3Very high97.3Very high81 Ų8135.8 Ų35.838%0.37919%0.187SC..Hα-helixtrans-63.6-37.3178-168.5-178.1-166.400112.2R40 R61 T69R40-E65 IonicContact CZ-OE1 3.91Å; R40-E65 IonicContact CZ-OE2 3.55Å; R40-E65 IonicContact NE-OE1 3.5Å; R40-E65 PolarHBondContact NE-OE1 3.48Å; R40-E65 IonicContact NE-OE2 2.86Å; R40-E65 PolarHBondContact NE-OE2 2.99Å; R40-E65 IonicContact NH2-OE1 2.79Å; R40-E65 PolarHBondContact NH2-OE1 3.47Å; R40-E65 IonicContact NH2-OE2 3.54Å; R61-E65 WeakPolarHBondContact O-CB 3.43Å; R61-E65 PolarHBondContact O-N 2.7Å; E65-T69 WeakPolarHBondContact O-CB 3.5Å; E65-T69 PolarHBondContact O-N 2.83Å; E65-T69 PolarHBondContact O-OG1 2.76Å
66C98.5Very high96.7Very high1 Ų143.3 Ų43.31%0.00722%0.218CC..Hα-helixtrans-66.9-39.1175.3-71.20000112.4F24 A38 D62 T63 L64 A70F24-C66 HydrophobicContact CB-CB 3.81Å; A38-C66 HydrophobicContact CB-CB 4.33Å; A38-C66 WeakPolarHBondContact CB-O 3.34Å; D62-C66 WeakPolarHBondContact O-CB 3.3Å; D62-C66 PolarHBondContact O-N 3.33Å; D62-C66 PolarHBondContact O-SG 3Å; T63-C66 PolarHBondContact O-N 3.44Å; L64-C66 VanDerWaalsContact C-N 3.33Å; L64-C66 PolarHBondContact O-N 3.42Å; C66-A70 VanDerWaalsContact O-CB 3.28Å; C66-A70 WeakPolarHBondContact O-CB 3.15Å; C66-A70 PolarHBondContact O-N 3.44Å
67I98.4Very high96.3Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-60.1-55.2175.7-66160.4000109.8I15 F24 T63 L64 T69 A70 C71 L181 I242 V243 A244I15-I67 HydrophobicContact CD1-CD1 4.07Å; I15-I67 HydrophobicContact CG1-CD1 4.43Å; F24-I67 HydrophobicContact CB-CG1 4.29Å; F24-I67 HydrophobicContact CD1-CB 4.35Å; F24-I67 HydrophobicContact CD1-CG1 4.2Å; F24-I67 HydrophobicContact CD2-CG1 3.66Å; F24-I67 HydrophobicContact CE1-CB 4.47Å; F24-I67 HydrophobicContact CE1-CG1 4.36Å; F24-I67 HydrophobicContact CE1-CG2 4.21Å; F24-I67 HydrophobicContact CE2-CG1 3.87Å; F24-I67 HydrophobicContact CG-CB 4.39Å; F24-I67 HydrophobicContact CG-CG1 3.81Å; F24-I67 HydrophobicContact CZ-CG1 4.18Å; F24-I67 HydrophobicContact CZ-CG2 4.32Å; T63-I67 HydrophobicContact CG2-CD1 3.94Å; T63-I67 VanDerWaalsContact O-CG1 3.31Å; T63-I67 WeakPolarHBondContact O-CG1 3.35Å; T63-I67 PolarHBondContact O-N 2.83Å; L64-I67 PolarHBondContact O-N 2.76Å; I67-T69 PolarHBondContact O-N 3.36Å; I67-A70 PolarHBondContact O-N 3.46Å; I67-C71 WeakPolarHBondContact O-CB 3.29Å; I67-C71 PolarHBondContact O-N 3.44Å; I67-C71 PolarHBondContact O-SG 2.82Å; I67-L181 HydrophobicContact CD1-CD2 4.41Å; I67-I242 HydrophobicContact CD1-CD1 4.14Å; I67-I242 HydrophobicContact CG2-CD1 4.2Å; I67-V243 HydrophobicContact CG2-CG1 4.04Å; I67-A244 HydrophobicContact CG2-CB 3.94Å
68E98Very high96.1Very high72 Ų7245.8 Ų45.834%0.33624%0.235SC..Hα-helixtrans-56.3-51178.2-71.1-64.1165.600112.1L64 A70 C71 A72 I242 V243L64-E68 PolarHBondContact O-N 2.98Å; L64-E68 VanDerWaalsContact O-N 3.1Å; E68-A70 VanDerWaalsContact C-N 3.29Å; E68-A70 PolarHBondContact O-N 3.44Å; E68-C71 PolarHBondContact O-N 3.34Å; E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.46Å; E68-A72 PolarHBondContact O-N 3.39Å; E68-I242 WeakPolarHBondContact OE1-CA 3.2Å; E68-I242 WeakPolarHBondContact OE1-CB 3.49Å; E68-V243 PolarHBondContact OE1-N 3.28Å; E68-V243 WeakPolarHBondContact OE2-CG1 3.43Å
69T97.9Very high96.1Very high46 Ų4643.8 Ų43.828%0.28223%0.226SC..Hα-helixtrans-63.8-32.4-176-58.40000112.9A38 E65 I67 K73A38-T69 HydrophobicContact CB-CG2 3.69Å; E65-T69 WeakPolarHBondContact O-CB 3.5Å; E65-T69 PolarHBondContact O-N 2.83Å; E65-T69 PolarHBondContact O-OG1 2.76Å; I67-T69 PolarHBondContact O-N 3.36Å; T69-K73 WeakPolarHBondContact O-CG 3.48Å
70A97.2Very high96.1Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-80.8-43.2177.800000111.9F24 A38 C66 I67 E68 A72 K73F24-A70 HydrophobicContact CD1-CB 3.83Å; A38-A70 HydrophobicContact CB-CB 3.99Å; C66-A70 VanDerWaalsContact O-CB 3.28Å; C66-A70 WeakPolarHBondContact O-CB 3.15Å; C66-A70 PolarHBondContact O-N 3.44Å; I67-A70 PolarHBondContact O-N 3.46Å; E68-A70 VanDerWaalsContact C-N 3.29Å; E68-A70 PolarHBondContact O-N 3.44Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 2.65Å; A70-K73 WeakPolarHBondContact O-CB 3.02Å; A70-K73 PolarHBondContact O-N 2.95Å; A70-K73 VanDerWaalsContact O-N 3.16Å
71C96.7Very high96.1Very high4 Ų449 Ų493%0.02725%0.245CC..Hα-helixtrans-61.8-37.7175.7-75.60000112.3I67 E68 K73 V74 P77 V243I67-C71 WeakPolarHBondContact O-CB 3.29Å; I67-C71 PolarHBondContact O-N 3.44Å; I67-C71 PolarHBondContact O-SG 2.82Å; E68-C71 PolarHBondContact O-N 3.34Å; C71-K73 PolarHBondContact O-N 3.12Å; C71-K73 VanDerWaalsContact O-N 3.12Å; C71-V74 PolarHBondContact O-N 3.48Å; C71-V74 VanDerWaalsContact O-N 3.11Å; C71-P77 HydrophobicContact CB-CG 4.21Å; C71-V243 HydrophobicContact CB-CB 4.45Å; C71-V243 HydrophobicContact CB-CG1 3.63Å; C71-V243 HydrophobicContact CB-CG2 4.02Å
72A96.3Very high96.1Very high74 Ų7443.3 Ų43.361%0.61222%0.224SC*.THydrogen-bonded Turntrans-64-12.2176.100000114.8E68 A70E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.46Å; E68-A72 PolarHBondContact O-N 3.39Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 2.65Å
73K96.4Very high96.1Very high77 Ų7743 Ų4334%0.33522%0.222SC..THydrogen-bonded Turntrans-88.5-3.9175.2-64.2173.4-177-175.20113.7V4 T5 A36 S37 T69 A70 C71V4-K73 WeakPolarHBondContact CA-O 3.4Å; T5-K73 PolarHBondContact N-O 3.48Å; A36-K73 HydrophobicContact CB-CB 3.92Å; A36-K73 HydrophobicContact CB-CD 4.38Å; S37-K73 PolarHBondContact O-NZ 3.28Å; T69-K73 WeakPolarHBondContact O-CG 3.48Å; A70-K73 WeakPolarHBondContact O-CB 3.02Å; A70-K73 PolarHBondContact O-N 2.95Å; A70-K73 VanDerWaalsContact O-N 3.16Å; C71-K73 PolarHBondContact O-N 3.12Å; C71-K73 VanDerWaalsContact O-N 3.12Å
74V94.7Very high96.1Very high7 Ų743 Ų434%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-119.2135.6-179.4-176.70000109.4T5 V7 L11 L26 V35 A36 C71 K76 P77T5-V74 WeakPolarHBondContact O-CA 3.39Å; V7-V74 HydrophobicContact CB-CG1 4.2Å; V7-V74 HydrophobicContact CG2-CG1 4.03Å; L11-V74 HydrophobicContact CD1-CG1 4.1Å; L26-V74 HydrophobicContact CD1-CG2 4Å; V35-V74 HydrophobicContact CG2-CG2 4.33Å; A36-V74 HydrophobicContact CB-CG2 3.76Å; C71-V74 PolarHBondContact O-N 3.48Å; C71-V74 VanDerWaalsContact O-N 3.11Å; V74-K76 PolarHBondContact O-N 2.97Å; V74-P77 HydrophobicContact CB-CB 4.25Å; V74-P77 HydrophobicContact CG1-CB 4.28Å
75A87.7Confident96.2Very high38 Ų3841.1 Ų41.131%0.31421%0.212SC..EExtended strand (participates in β ladder)trans-71.5116.2175.100000109.6V4 T5 E6V4-A75 HydrophobicContact CG1-CB 3.76Å; V4-A75 VanDerWaalsContact CG1-N 3.27Å; T5-A75 PolarHBondContact O-N 2.81Å; E6-A75 HydrophobicContact CG-CB 4.29Å
76K87.2Confident96.2Very high202 Ų20237.2 Ų37.288%0.87819%0.194SC*.SBendtrans50.863.5176.6-57.3175.2-176.5172.40113.2V74 D78V74-K76 PolarHBondContact O-N 2.97Å; K76-D78 PolarHBondContact O-N 3.15Å; K76-D78 VanDerWaalsContact O-N 3.15Å
77P88.4Confident96.1Very high37 Ų3737.2 Ų37.224%0.2419%0.193CC..  trans-64.3114.7-173.826.6-33.9000112.4L11 C71 V74 L79L11-P77 HydrophobicContact CD1-CB 3.74Å; C71-P77 HydrophobicContact CB-CG 4.21Å; V74-P77 HydrophobicContact CB-CB 4.25Å; V74-P77 HydrophobicContact CG1-CB 4.28Å; P77-L79 PolarHBondContact O-N 2.79Å
78D95.1Very high96.1Very high78 Ų7837.3 Ų37.342%0.41719%0.194SC..  trans-77.772.6170.7178.727.5000110.6P10 L11 K76 R80P10-D78 WeakPolarHBondContact CB-OD2 3.37Å; L11-D78 PolarHBondContact N-O 3.08Å; K76-D78 PolarHBondContact O-N 3.15Å; K76-D78 VanDerWaalsContact O-N 3.15Å; D78-R80 PolarHBondContact O-N 2.91Å; D78-R80 WeakPolarHBondContact OD1-CD 3.34Å; D78-R80 WeakPolarHBondContact OD2-CD 3.2Å
79L97.1Very high96.1Very high19 Ų1933.9 Ų33.910%0.09918%0.178CC..EExtended strand (participates in β ladder)trans-77.5103.5-177.9-179.158.7000110.9G13 F24 L26 P77 A81 I82 A244 V247G13-L79 VanDerWaalsContact N-CD1 3.27Å; F24-L79 HydrophobicContact CZ-CD2 4.26Å; L26-L79 HydrophobicContact CD2-CD1 3.82Å; P77-L79 PolarHBondContact O-N 2.79Å; L79-A81 WeakPolarHBondContact CD1-O 3.34Å; L79-I82 HydrophobicContact CD2-CD1 4.29Å; L79-I82 HydrophobicContact CD2-CG1 4.26Å; L79-A244 HydrophobicContact CD2-CB 4Å; L79-V247 HydrophobicContact CB-CG2 4.33Å; L79-V247 HydrophobicContact CD2-CG1 4.32Å; L79-V247 HydrophobicContact CD2-CG2 4.17Å; L79-V247 HydrophobicContact CG-CG1 3.96Å; L79-V247 HydrophobicContact CG-CG2 4.09Å; L79-V247 WeakPolarHBondContact O-CG2 3.37Å
80R97.8Very high96.1Very high127 Ų12731.7 Ų31.748%0.47917%0.165SC..EExtended strand (participates in β ladder)trans-84.6-29.8-173.3-55.1-65.3-76.2144.9-4114.5P10 L11 I12 D78 P248 L483P10-R80 HydrophobicContact CB-CG 3.42Å; P10-R80 VanDerWaalsContact CB-CG 3.42Å; L11-R80 PolarHBondContact O-N 3.43Å; I12-R80 HydrophobicContact CD1-CB 4.23Å; D78-R80 PolarHBondContact O-N 2.91Å; D78-R80 WeakPolarHBondContact OD1-CD 3.34Å; D78-R80 WeakPolarHBondContact OD2-CD 3.2Å; R80-P248 VanDerWaalsContact O-CD 3.31Å; R80-P248 WeakPolarHBondContact O-CD 3.48Å; R80-P248 WeakPolarHBondContact O-CG 3.48Å; R80-L483 HydrophobicContact CB-CD1 4.08Å; R80-L483 HydrophobicContact CG-CD1 4.07Å
81A98.5Very high96.2Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-161.5160.8177.800000112I12 G13 L79 P248 Y250 A477 T481I12-A81 HydrophobicContact CD1-CB 4.4Å; G13-A81 PolarHBondContact N-O 2.97Å; L79-A81 WeakPolarHBondContact CD1-O 3.34Å; A81-P248 CarbonylContact C-O 3.55Å; A81-P248 VanDerWaalsContact CA-O 3.27Å; A81-P248 WeakPolarHBondContact CA-O 3.31Å; A81-P248 HydrophobicContact CB-CG 4.33Å; A81-Y250 HydrophobicContact CB-CD2 4.02Å; A81-A477 HydrophobicContact CB-CB 4.12Å; A81-T481 HydrophobicContact CB-CG2 3.56Å
82I98.8Very high96.3Very high0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-114.6136.7169-68.4171.8000110.1G13 I15 F24 L79 I84 V238 A244 V247 P248 I249 Y250 G251 A477G13-I82 CarbonylContact O-C 3.56Å; G13-I82 WeakPolarHBondContact O-CA 3.41Å; I15-I82 HydrophobicContact CD1-CG2 3.85Å; I15-I82 HydrophobicContact CG1-CG2 4.07Å; F24-I82 HydrophobicContact CE2-CD1 4.22Å; F24-I82 HydrophobicContact CE2-CG1 4.13Å; F24-I82 HydrophobicContact CE2-CG2 4.3Å; F24-I82 HydrophobicContact CZ-CD1 4.23Å; F24-I82 HydrophobicContact CZ-CG1 4.13Å; L79-I82 HydrophobicContact CD2-CD1 4.29Å; L79-I82 HydrophobicContact CD2-CG1 4.26Å; I82-I84 HydrophobicContact CG2-CG1 4.29Å; I82-V238 HydrophobicContact CD1-CG2 4.2Å; I82-A244 HydrophobicContact CD1-CB 3.9Å; I82-V247 HydrophobicContact CD1-CG1 4.33Å; I82-V247 HydrophobicContact CG1-CG1 4.04Å; I82-P248 PolarHBondContact N-O 3.25Å; I82-I249 WeakPolarHBondContact O-CA 3.5Å; I82-Y250 PolarHBondContact O-N 2.99Å; I82-G251 PolarHBondContact O-N 3.43Å; I82-A477 VanDerWaalsContact C-CB 3.49Å; I82-A477 WeakPolarHBondContact O-CB 3.45Å
83G98.8Very high96.4Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-102.3145.8161.600000111G13 A14 I15 G251G13-G83 PolarHBondContact O-N 3.09Å; A14-G83 CarbonylContact C-O 3.48Å; A14-G83 WeakPolarHBondContact CA-O 3.42Å; I15-G83 PolarHBondContact N-O 3.45Å; G83-G251 CarbonylContact C-O 3.57Å; G83-G251 WeakPolarHBondContact CA-O 3.37Å
84I98.9Very high96.5Very high0 Ų024.7 Ų24.70%012%0.12CC..EExtended strand (participates in β ladder)trans-114.7133.8176.3-61.8-179.4000108.7I15 I82 D174 L177 I178 L181 I249 G251 C252 L253I15-I84 HydrophobicContact CB-CG1 4.5Å; I15-I84 HydrophobicContact CD1-CD1 4.41Å; I15-I84 HydrophobicContact CD1-CG1 4.09Å; I82-I84 HydrophobicContact CG2-CG1 4.29Å; I84-D174 HydrophobicContact CG2-CB 4.32Å; I84-L177 HydrophobicContact CD1-CB 4.41Å; I84-L177 HydrophobicContact CG2-CD1 4.3Å; I84-I178 HydrophobicContact CD1-CG1 3.67Å; I84-L181 HydrophobicContact CD1-CD1 4.02Å; I84-I249 HydrophobicContact CD1-CD1 4.32Å; I84-I249 HydrophobicContact CD1-CG2 3.86Å; I84-I249 HydrophobicContact CG1-CG2 4.19Å; I84-G251 PolarHBondContact N-O 3.42Å; I84-C252 WeakPolarHBondContact O-CA 3.41Å; I84-L253 PolarHBondContact O-N 2.89Å
85T98.8Very high96.7Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-138.8145.2166.5170.70000110.4I15 D16 Q17 L253 D255 A258 T469 A473I15-T85 VanDerWaalsContact O-CG2 3.28Å; I15-T85 WeakPolarHBondContact O-CG2 3.34Å; I15-T85 PolarHBondContact O-N 2.86Å; D16-T85 HydrophobicContact CB-CG2 4.26Å; Q17-T85 PolarHBondContact N-O 3.32Å; T85-L253 WeakPolarHBondContact CA-O 3.31Å; T85-L253 PolarHBondContact OG1-O 3.2Å; T85-D255 VanDerWaalsContact OG1-CA 3.28Å; T85-D255 WeakPolarHBondContact OG1-CA 3.45Å; T85-A258 HydrophobicContact CG2-CB 4.3Å; T85-A258 WeakPolarHBondContact OG1-CB 3.28Å; T85-T469 HydrophobicContact CG2-CG2 3.79Å; T85-T469 WeakPolarHBondContact OG1-CG2 3.39Å; T85-A473 HydrophobicContact CG2-CB 3.6Å
86N98.7Very high97.2Very high0 Ų027 Ų270%012%0.123CC..EExtended strand (participates in β ladder)trans-148.3154.6-166.362.2-71000112.4Q17 R88 I173 D174 N196 L253 D255Q17-N86 HydrophobicContact CB-CB 4.23Å; Q17-N86 CarbonylContact O-C 3.57Å; Q17-N86 WeakPolarHBondContact O-CA 3.15Å; N86-R88 PolarHBondContact O-N 3.46Å; N86-R88 VanDerWaalsContact O-N 3.17Å; N86-I173 HydrophobicContact CB-CB 3.94Å; N86-I173 HydrophobicContact CB-CG2 3.85Å; N86-D174 WeakPolarHBondContact OD1-CB 3.47Å; N86-N196 PolarHBondContact ND2-OD1 3.01Å; N86-N196 PolarHBondContact OD1-ND2 2.8Å; N86-N196 PolarHBondContact OD1-OD1 2.61Å; N86-L253 PolarHBondContact OD1-O 2.84Å; N86-D255 VanDerWaalsContact O-CB 3.26Å; N86-D255 WeakPolarHBondContact O-CB 3.43Å; N86-D255 PolarHBondContact O-N 3.17Å
87Q96.3Very high97.7Very high0 Ų023.3 Ų23.30%011%0.109CC..  trans-51.8122.4159.560.5-179.9-36.700109.2Q17 T19 I54 T90 I173Q17-Q87 PolarHBondContact O-N 3.43Å; T19-Q87 VanDerWaalsContact CB-OE1 3.32Å; T19-Q87 WeakPolarHBondContact OG1-CB 3.24Å; T19-Q87 PolarHBondContact OG1-OE1 3.48Å; I54-Q87 VanDerWaalsContact CD1-NE2 3.31Å; Q87-T90 PolarHBondContact OE1-OG1 3.37Å; Q87-I173 HydrophobicContact CG-CG1 4.22Å
88R98Very high98.1Very high2 Ų225 Ų251%0.00812%0.119CC..SBendtrans-74.9171.2-179.1-64.4171.5-49.814820.7110.5N86 T90 W108 R199 G254 D255 Q256 E315N86-R88 PolarHBondContact O-N 3.46Å; N86-R88 VanDerWaalsContact O-N 3.17Å; R88-T90 PolarHBondContact O-N 2.76Å; R88-W108 WeakPolarHBondContact O-CB 3.45Å; R88-R199 HydrophobicContact CB-CG 4.11Å; R88-R199 HydrophobicContact CG-CG 4.32Å; R88-G254 VanDerWaalsContact CG-CA 3.45Å; R88-D255 WeakPolarHBondContact CD-OD1 3.28Å; R88-D255 WeakPolarHBondContact CG-OD1 3.12Å; R88-D255 IonicContact NE-OD1 3.63Å; R88-D255 PolarHBondContact NE-OD1 3.31Å; R88-Q256 VanDerWaalsContact CZ-CG 3.49Å; R88-E315 IonicContact CZ-OE1 3.23Å; R88-E315 IonicContact CZ-OE2 3.36Å; R88-E315 IonicContact NH1-OE1 3.83Å; R88-E315 PolarHBondContact NH1-OE1 3.46Å; R88-E315 IonicContact NH1-OE2 2.84Å; R88-E315 PolarHBondContact NH1-OE2 3.01Å; R88-E315 IonicContact NH2-OE1 2.86Å; R88-E315 PolarHBondContact NH2-OE1 2.89Å; R88-E315 IonicContact NH2-OE2 2.88Å
89E98.1Very high98.2Very high1 Ų121.5 Ų21.51%0.00510%0.101CC..SBendtrans59.5-32.4178.8-64.785.3-170.100117.6I91 W108 Y143 F144 S145 R199E89-I91 PolarHBondContact O-N 3.5Å; E89-W108 HydrophobicContact CB-CB 3.78Å; E89-Y143 HydrophobicContact CB-CD2 4.13Å; E89-Y143 HydrophobicContact CB-CE2 4.2Å; E89-Y143 WeakPolarHBondContact CB-O 3.31Å; E89-Y143 HydrophobicContact CG-CD2 3.78Å; E89-Y143 HydrophobicContact CG-CE2 3.78Å; E89-Y143 WeakPolarHBondContact OE2-CE2 3.44Å; E89-F144 HydrophobicContact CG-CD1 3.85Å; E89-S145 WeakPolarHBondContact CA-OG 3.49Å; E89-S145 PolarHBondContact O-OG 3.02Å; E89-R199 HydrophobicContact CG-CB 3.95Å; E89-R199 WeakPolarHBondContact OE1-CB 3.48Å; E89-R199 IonicContact OE1-CZ 3.77Å; E89-R199 IonicContact OE1-NE 2.75Å; E89-R199 PolarHBondContact OE1-NE 3.17Å; E89-R199 IonicContact OE1-NH2 3.96Å; E89-R199 PolarHBondContact OE1-NH2 3.29Å
90T98.5Very high98.3Very high0 Ų027.2 Ų27.20%013%0.125CC..  trans-55.7124.8177.9-63.70000110.5Q87 R88 A105 I106 V107 W108 T172 I173Q87-T90 PolarHBondContact OE1-OG1 3.37Å; R88-T90 PolarHBondContact O-N 2.76Å; T90-A105 HydrophobicContact CG2-CB 4Å; T90-I106 WeakPolarHBondContact CA-O 3.44Å; T90-V107 WeakPolarHBondContact OG1-CA 3.49Å; T90-W108 PolarHBondContact OG1-N 2.81Å; T90-T172 WeakPolarHBondContact O-CA 3.35Å; T90-I173 HydrophobicContact CG2-CD1 3.83Å; T90-I173 HydrophobicContact CG2-CG1 3.72Å
91I98.9Very high98.3Very high3 Ų322.1 Ų22.12%0.01511%0.111CC..EExtended strand (participates in β ladder)trans-116.7141.7-170.2-16382.6000112.3E89 L93 A105 I106 K148 I149 L152 G171 T172E89-I91 PolarHBondContact O-N 3.5Å; I91-L93 HydrophobicContact CG1-CD1 4.07Å; I91-A105 VanDerWaalsContact O-CA 3.3Å; I91-A105 WeakPolarHBondContact O-CA 3.45Å; I91-I106 HydrophobicContact CG2-CB 4.4Å; I91-I106 PolarHBondContact N-O 3.45Å; I91-I106 PolarHBondContact O-N 3.22Å; I91-I106 VanDerWaalsContact O-N 3.1Å; I91-K148 HydrophobicContact CG2-CB 3.59Å; I91-K148 HydrophobicContact CG2-CD 4.33Å; I91-I149 HydrophobicContact CD1-CD1 3.92Å; I91-I149 HydrophobicContact CD1-CG1 3.86Å; I91-I149 HydrophobicContact CG1-CD1 4.32Å; I91-I149 HydrophobicContact CG1-CG1 3.68Å; I91-L152 HydrophobicContact CG2-CD1 3.87Å; I91-G171 VanDerWaalsContact CD1-O 3.27Å; I91-G171 WeakPolarHBondContact CD1-O 3.45Å; I91-T172 HydrophobicContact CD1-CG2 4.5Å
92V98.9Very high98.3Very high0 Ų024.5 Ų24.50%012%0.121CC..EExtended strand (participates in β ladder)trans-118.7137.8167.7-172.30000108.8A56 W94 A101 A105 A170 G171 I173 W176A56-V92 HydrophobicContact CB-CG1 3.79Å; A56-V92 HydrophobicContact CB-CG2 3.93Å; V92-W94 HydrophobicContact CB-CE3 4.2Å; V92-W94 HydrophobicContact CB-CZ3 4.46Å; V92-W94 HydrophobicContact CG1-CE3 4.06Å; V92-A101 HydrophobicContact CG1-CB 3.9Å; V92-A105 HydrophobicContact CG2-CB 3.75Å; V92-A170 WeakPolarHBondContact O-CA 3.37Å; V92-G171 PolarHBondContact N-O 2.75Å; V92-G171 PolarHBondContact O-N 3.2Å; V92-I173 HydrophobicContact CG2-CD1 3.9Å; V92-W176 HydrophobicContact CG1-CD2 4.21Å; V92-W176 HydrophobicContact CG1-CE3 4.12Å; V92-W176 HydrophobicContact CG2-CB 4.32Å; V92-W176 HydrophobicContact CG2-CG 4.23Å
93L98.9Very high98.3Very high4 Ų428 Ų282%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-112132.5162.6-94.767000108.7I91 A101 F102 I149 L152 L153 V159 L169 A170I91-L93 HydrophobicContact CG1-CD1 4.07Å; L93-A101 WeakPolarHBondContact O-CA 3.3Å; L93-F102 HydrophobicContact CB-CD2 4.25Å; L93-F102 PolarHBondContact O-N 3.48Å; L93-I149 HydrophobicContact CD1-CG1 4.28Å; L93-I149 HydrophobicContact CD1-CG2 4.46Å; L93-L152 HydrophobicContact CB-CD1 4.46Å; L93-L152 HydrophobicContact CD1-CD1 3.84Å; L93-L152 HydrophobicContact CD2-CB 4.01Å; L93-L153 HydrophobicContact CD2-CD2 4.14Å; L93-V159 HydrophobicContact CD2-CG1 3.75Å; L93-L169 CarbonylContact C-O 3.56Å; L93-L169 VanDerWaalsContact CA-O 3.29Å; L93-L169 WeakPolarHBondContact CA-O 3.21Å; L93-A170 HydrophobicContact CD1-CB 3.45Å; L93-A170 VanDerWaalsContact CD1-CB 3.45Å; L93-A170 HydrophobicContact CG-CB 3.81Å
94W98.8Very high98.3Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-143.6161.5-17672.595.9000113.2V92 K100 F102 L169 W176 W179 H190V92-W94 HydrophobicContact CB-CE3 4.2Å; V92-W94 HydrophobicContact CB-CZ3 4.46Å; V92-W94 HydrophobicContact CG1-CE3 4.06Å; W94-K100 WeakPolarHBondContact CA-O 3.47Å; W94-K100 WeakPolarHBondContact CB-O 3.13Å; W94-F102 WeakPolarHBondContact O-CE2 3.21Å; W94-L169 HydrophobicContact CD2-CB 4.02Å; W94-L169 HydrophobicContact CH2-CB 4.29Å; W94-L169 HydrophobicContact CZ2-CB 3.76Å; W94-L169 HydrophobicContact CZ2-CD1 4.04Å; W94-L169 PolarHBondContact N-O 2.84Å; W94-L169 PolarHBondContact O-N 3.19Å; W94-W176 HydrophobicContact CB-CE3 4.28Å; W94-W176 HydrophobicContact CB-CZ3 3.66Å; W94-W176 AromaticContact CD1-CZ3 3.91Å; W94-W176 AromaticContact CD2-CE3 3.64Å; W94-W176 HydrophobicContact CD2-CE3 3.64Å; W94-W176 AromaticContact CD2-CZ3 3.81Å; W94-W176 HydrophobicContact CD2-CZ3 3.81Å; W94-W176 AromaticContact CE3-CE3 3.75Å; W94-W176 HydrophobicContact CE3-CE3 3.75Å; W94-W176 HydrophobicContact CE3-CZ3 4.3Å; W94-W176 AromaticContact CG-CE3 3.9Å; W94-W176 HydrophobicContact CG-CE3 3.9Å; W94-W176 AromaticContact CG-CZ3 3.52Å; W94-W176 HydrophobicContact CG-CZ3 3.52Å; W94-W176 HydrophobicContact CZ3-CB 4.47Å; W94-W176 HydrophobicContact CZ3-CE3 4.27Å; W94-W179 AromaticContact CD1-CE3 3.88Å; W94-W179 AromaticContact CD1-CH2 3.81Å; W94-W179 AromaticContact CD1-CZ3 3.66Å; W94-W179 AromaticContact CE2-CD2 3.91Å; W94-W179 HydrophobicContact CZ2-CB 3.96Å; W94-W179 HydrophobicContact CZ2-CD2 4.09Å; W94-W179 HydrophobicContact CZ2-CE3 4.48Å; W94-W179 AromaticContact CZ2-CG 3.83Å; W94-W179 HydrophobicContact CZ2-CG 3.83Å; W94-W179 AromaticContact NE1-CD2 3.27Å; W94-W179 VanDerWaalsContact NE1-CD2 3.27Å; W94-W179 AromaticContact NE1-CE2 3.47Å; W94-W179 AromaticContact NE1-CE3 3.28Å; W94-W179 VanDerWaalsContact NE1-CE3 3.28Å; W94-W179 AromaticContact NE1-CG 3.95Å; W94-W179 AromaticContact NE1-CH2 3.71Å; W94-W179 AromaticContact NE1-CZ2 3.69Å; W94-W179 AromaticContact NE1-CZ3 3.52Å; W94-H190 AromaticContact CH2-CD2 3.72Å; W94-H190 AromaticContact CH2-NE2 3.81Å; W94-H190 AromaticContact CZ2-CD2 3.65Å
95D98.5Very high98.3Very high15 Ų1530 Ų308%0.0815%0.146CC..EExtended strand (participates in β ladder)trans-87.8120.7178.7-170.1-28.6000110.3E97 T98 G99 K100 F102 R167D95-E97 PolarHBondContact O-N 2.81Å; D95-E97 PolarHBondContact OD1-N 3.35Å; D95-T98 WeakPolarHBondContact CB-OG1 3.48Å; D95-T98 PolarHBondContact OD2-OG1 2.88Å; D95-G99 VanDerWaalsContact O-CA 3.27Å; D95-G99 WeakPolarHBondContact O-CA 3.42Å; D95-G99 PolarHBondContact O-N 3.15Å; D95-K100 PolarHBondContact N-O 3.25Å; D95-F102 HydrophobicContact CB-CE1 4.01Å; D95-F102 HydrophobicContact CB-CE2 4.19Å; D95-F102 HydrophobicContact CB-CZ 3.57Å; D95-R167 IonicContact OD1-NH1 3.93Å; D95-R167 PolarHBondContact OD1-NH1 3.22Å; D95-R167 VanDerWaalsContact OD1-NH1 3.09Å; D95-R167 IonicContact OD2-CZ 2.83Å; D95-R167 IonicContact OD2-NH1 2.8Å; D95-R167 PolarHBondContact OD2-NH1 2.69Å
96K98.2Very high98.3Very high79 Ų7930 Ų3034%0.34315%0.146SC..THydrogen-bonded Turntrans-65.9-25.9-178.579.5-170.2-173.5-171.60113.5E166 R167 L169 W179 P185K96-E166 VanDerWaalsContact CE-O 3.24Å; K96-E166 WeakPolarHBondContact CE-O 2.91Å; K96-E166 PolarHBondContact NZ-O 3.42Å; K96-R167 WeakPolarHBondContact CG-O 3.07Å; K96-R167 PolarHBondContact N-O 2.69Å; K96-L169 HydrophobicContact CB-CD1 3.68Å; K96-L169 HydrophobicContact CB-CG 3.89Å; K96-W179 HydrophobicContact CB-CZ2 4.45Å; K96-P185 WeakPolarHBondContact O-CA 3.46Å
97E97.5Very high98.2Very high124 Ų12430 Ų3058%0.57915%0.146SC*.THydrogen-bonded Turntrans-86.9-36.6-177-65.7-179.3-176.800111.9D95 R167D95-E97 PolarHBondContact O-N 2.81Å; D95-E97 PolarHBondContact OD1-N 3.35Å; E97-R167 HydrophobicContact CG-CG 4.29Å; E97-R167 WeakPolarHBondContact OE1-CD 3.46Å; E97-R167 WeakPolarHBondContact OE1-CG 3.26Å; E97-R167 WeakPolarHBondContact OE2-CD 3.33Å
98T97.4Very high98.1Very high72 Ų7233.5 Ų33.544%0.44216%0.159SC..THydrogen-bonded Turntrans-100.3-17-177.973.30000113.9D95 K100D95-T98 WeakPolarHBondContact CB-OG1 3.48Å; D95-T98 PolarHBondContact OD2-OG1 2.88Å; T98-K100 PolarHBondContact O-N 2.95Å; T98-K100 PolarHBondContact OG1-N 3.29Å
99G97.7Very high97.6Very high5 Ų535.1 Ų35.15%0.05217%0.17CC..  trans67.810.2-174.600000114.8H57 D95H57-G99 VanDerWaalsContact NE2-C 3.28Å; H57-G99 PolarHBondContact NE2-O 3.41Å; D95-G99 VanDerWaalsContact O-CA 3.27Å; D95-G99 WeakPolarHBondContact O-CA 3.42Å; D95-G99 PolarHBondContact O-N 3.15Å
100K98.3Very high97.3Very high139 Ų13935.1 Ų35.160%0.60417%0.17SC*.  trans-87.7131.8178.7-64.3178.6-179.2177.20110.3H57 W94 D95 T98H57-K100 VanDerWaalsContact NE2-CA 3.27Å; H57-K100 WeakPolarHBondContact NE2-CA 3.38Å; W94-K100 WeakPolarHBondContact CA-O 3.47Å; W94-K100 WeakPolarHBondContact CB-O 3.13Å; D95-K100 PolarHBondContact N-O 3.25Å; T98-K100 PolarHBondContact O-N 2.95Å; T98-K100 PolarHBondContact OG1-N 3.29Å
101A98.6Very high96.8Very high21 Ų2137.5 Ų37.517%0.17418%0.183CC..BIsolated β-bridgetrans-64136.916500000109.4A56 V92 L93 Y103A56-A101 HydrophobicContact CB-CB 3.99Å; V92-A101 HydrophobicContact CG1-CB 3.9Å; L93-A101 WeakPolarHBondContact O-CA 3.3Å; A101-Y103 WeakPolarHBondContact CB-O 3.49Å; A101-Y103 PolarHBondContact O-N 2.82Å
102F98.6Very high96.6Very high49 Ų4938.5 Ų38.522%0.21519%0.186CC..SBendtrans-71.9-23.2177.5-66.8-71.6000112.4L93 W94 D95 V156 V159 A162 C168L93-F102 HydrophobicContact CB-CD2 4.25Å; L93-F102 PolarHBondContact O-N 3.48Å; W94-F102 WeakPolarHBondContact O-CE2 3.21Å; D95-F102 HydrophobicContact CB-CE1 4.01Å; D95-F102 HydrophobicContact CB-CE2 4.19Å; D95-F102 HydrophobicContact CB-CZ 3.57Å; F102-V156 HydrophobicContact CB-CG1 4.03Å; F102-V156 WeakPolarHBondContact O-CG1 3.34Å; F102-V159 HydrophobicContact CB-CG2 3.5Å; F102-V159 HydrophobicContact CD1-CG2 4.2Å; F102-V159 HydrophobicContact CD2-CG2 3.87Å; F102-V159 HydrophobicContact CG-CG2 3.61Å; F102-A162 HydrophobicContact CE1-CB 3.89Å; F102-A162 HydrophobicContact CE2-CB 4.07Å; F102-A162 HydrophobicContact CZ-CB 3.3Å; F102-C168 HydrophobicContact CE2-CB 4.07Å
103Y98.5Very high96.5Very high73 Ų7338.6 Ų38.629%0.28619%0.187SC..SBendtrans-155.9173.4-176.6-161.6-108.2000109.8E53 A101 I106 W151 L152 V156E53-Y103 VanDerWaalsContact OE1-CE1 3.26Å; E53-Y103 WeakPolarHBondContact OE1-CE1 3.2Å; E53-Y103 PolarHBondContact OE1-OH 2.93Å; A101-Y103 WeakPolarHBondContact CB-O 3.49Å; A101-Y103 PolarHBondContact O-N 2.82Å; Y103-I106 HydrophobicContact CD1-CG1 4.5Å; Y103-W151 HydrophobicContact CD1-CZ3 4.41Å; Y103-W151 HydrophobicContact CE1-CH2 4.37Å; Y103-W151 HydrophobicContact CE1-CZ3 4.04Å; Y103-L152 HydrophobicContact CD1-CD2 3.72Å; Y103-L152 HydrophobicContact CG-CD2 4.03Å; Y103-V156 HydrophobicContact CD1-CG2 4.4Å; Y103-V156 HydrophobicContact CD2-CG1 4.29Å; Y103-V156 HydrophobicContact CD2-CG2 3.83Å; Y103-V156 HydrophobicContact CG-CG1 4.47Å; Y103-V156 HydrophobicContact CG-CG2 3.78Å
104N98.7Very high96.2Very high44 Ų4442.7 Ų42.724%0.23521%0.206CC..  trans-60.5156169.4-69.9-30.1000111.5E53 I106E53-N104 HydrophobicContact CB-CB 3.85Å; E53-N104 HydrophobicContact CG-CB 4.07Å; E53-N104 WeakPolarHBondContact OE2-CB 3.48Å; E53-N104 PolarHBondContact OE2-ND2 2.84Å; N104-I106 PolarHBondContact O-N 2.66Å
105A98.7Very high95.9Very high0 Ų050.3 Ų50.30%024%0.242CC..EExtended strand (participates in β ladder)trans-64.7124.1168.200000109.4E53 I54 T90 I91 V92 V107 I173E53-A105 VanDerWaalsContact CA-O 3.31Å; E53-A105 WeakPolarHBondContact CA-O 3.28Å; I54-A105 PolarHBondContact N-O 2.91Å; I54-A105 WeakPolarHBondContact O-CB 3.43Å; I54-A105 PolarHBondContact O-N 3.1Å; T90-A105 HydrophobicContact CG2-CB 4Å; I91-A105 VanDerWaalsContact O-CA 3.3Å; I91-A105 WeakPolarHBondContact O-CA 3.45Å; V92-A105 HydrophobicContact CG2-CB 3.75Å; A105-V107 PolarHBondContact O-N 2.81Å; A105-I173 HydrophobicContact CB-CD1 4.34Å
106I98.7Very high95.8Very high0 Ų053.5 Ų53.50%025%0.252CS..EExtended strand (participates in β ladder)trans-84.6114.2175.6-57.6-179.5000108T90 I91 Y103 N104 D110 K148 W151 L152T90-I106 WeakPolarHBondContact CA-O 3.44Å; I91-I106 HydrophobicContact CG2-CB 4.4Å; I91-I106 PolarHBondContact N-O 3.45Å; I91-I106 PolarHBondContact O-N 3.22Å; I91-I106 VanDerWaalsContact O-N 3.1Å; Y103-I106 HydrophobicContact CD1-CG1 4.5Å; N104-I106 PolarHBondContact O-N 2.66Å; I106-D110 HydrophobicContact CG2-CB 3.6Å; I106-K148 HydrophobicContact CB-CB 4.48Å; I106-K148 HydrophobicContact CB-CD 4.25Å; I106-K148 HydrophobicContact CG2-CB 4.39Å; I106-K148 HydrophobicContact CG2-CD 3.81Å; I106-K148 HydrophobicContact CG2-CG 3.95Å; I106-W151 HydrophobicContact CD1-CD2 4.47Å; I106-W151 HydrophobicContact CD1-CE3 3.61Å; I106-W151 HydrophobicContact CD1-CZ3 3.99Å; I106-L152 HydrophobicContact CD1-CD1 3.97Å; I106-L152 HydrophobicContact CD1-CD2 3.64Å; I106-L152 HydrophobicContact CD1-CG 3.63Å; I106-L152 HydrophobicContact CG1-CD1 4.39Å; I106-L152 HydrophobicContact CG1-CD2 4.23Å; I106-L152 HydrophobicContact CG1-CG 4.46Å
107V96.9Very high95.6Very high0 Ų049.9 Ų49.90%024%0.237CC..  trans-71.5147-171.8-176.60000111T19 L44 Y52 I54 T90 A105 C109 D110 K148T19-V107 HydrophobicContact CG2-CG1 3.87Å; L44-V107 HydrophobicContact CD2-CG2 4.1Å; Y52-V107 VanDerWaalsContact O-CB 3.31Å; Y52-V107 WeakPolarHBondContact O-CB 3.29Å; Y52-V107 WeakPolarHBondContact O-CG2 3.42Å; Y52-V107 PolarHBondContact O-N 3.47Å; I54-V107 HydrophobicContact CD1-CG2 3.61Å; I54-V107 HydrophobicContact CG1-CG2 3.64Å; T90-V107 WeakPolarHBondContact OG1-CA 3.49Å; A105-V107 PolarHBondContact O-N 2.81Å; V107-C109 PolarHBondContact O-N 2.89Å; V107-C109 VanDerWaalsContact O-N 3.08Å; V107-D110 WeakPolarHBondContact O-CB 3.27Å; V107-D110 PolarHBondContact O-N 3.47Å; V107-K148 WeakPolarHBondContact O-CE 3.5Å; V107-K148 PolarHBondContact O-NZ 3.42Å
108W93.7Very high95.3Very high72 Ų7249.7 Ų49.727%0.27324%0.236SC..THydrogen-bonded Turntrans-45.7-40179.265-95.1000115.3T19 R88 E89 T90 D110 Y143 K148 F280T19-W108 PolarHBondContact OG1-NE1 3.3Å; R88-W108 WeakPolarHBondContact O-CB 3.45Å; E89-W108 HydrophobicContact CB-CB 3.78Å; T90-W108 PolarHBondContact OG1-N 2.81Å; W108-D110 VanDerWaalsContact C-N 3.29Å; W108-D110 PolarHBondContact O-N 3.14Å; W108-Y143 HydrophobicContact CB-CD2 3.92Å; W108-Y143 HydrophobicContact CB-CE2 3.77Å; W108-Y143 HydrophobicContact CD2-CE2 4.04Å; W108-Y143 AromaticContact CE3-CD2 3.96Å; W108-Y143 HydrophobicContact CE3-CD2 3.96Å; W108-Y143 AromaticContact CE3-CE2 3.5Å; W108-Y143 HydrophobicContact CE3-CE2 3.5Å; W108-Y143 HydrophobicContact CG-CE2 4.18Å; W108-Y143 HydrophobicContact CZ3-CE2 4.42Å; W108-Y143 WeakPolarHBondContact O-CA 3.45Å; W108-K148 PolarHBondContact O-NZ 3.5Å; W108-F280 HydrophobicContact CH2-CZ 4.26Å; W108-F280 HydrophobicContact CZ3-CZ 4.47Å
109C88Confident95.2Very high37 Ų3750.8 Ų50.825%0.2524%0.237CC..THydrogen-bonded Turntrans-82.88179.465.90000115.1Y52 V107Y52-C109 WeakPolarHBondContact CD2-O 3.38Å; Y52-C109 VanDerWaalsContact CG-SG 3.59Å; V107-C109 PolarHBondContact O-N 2.89Å; V107-C109 VanDerWaalsContact O-N 3.08Å
110D92.3Very high95.1Very high0 Ų052 Ų520%024%0.241CC..  trans-74.1128.4175.2-173.7-76.5000112.2W51 Y52 I106 V107 W108 R112W51-D110 VanDerWaalsContact CA-OD2 3.22Å; W51-D110 WeakPolarHBondContact CA-OD2 3.42Å; Y52-D110 PolarHBondContact N-OD2 2.86Å; I106-D110 HydrophobicContact CG2-CB 3.6Å; V107-D110 WeakPolarHBondContact O-CB 3.27Å; V107-D110 PolarHBondContact O-N 3.47Å; W108-D110 VanDerWaalsContact C-N 3.29Å; W108-D110 PolarHBondContact O-N 3.14Å; D110-R112 VanDerWaalsContact CG-NE 3.34Å; D110-R112 WeakPolarHBondContact OD1-CB 3.38Å; D110-R112 WeakPolarHBondContact OD1-CG 3.35Å; D110-R112 IonicContact OD1-CZ 3.2Å; D110-R112 PolarHBondContact OD1-N 3.5Å; D110-R112 IonicContact OD1-NE 2.66Å; D110-R112 PolarHBondContact OD1-NE 2.87Å; D110-R112 IonicContact OD1-NH2 2.7Å; D110-R112 IonicContact OD2-CZ 3.78Å; D110-R112 IonicContact OD2-NE 3.45Å; D110-R112 PolarHBondContact OD2-NE 2.92Å; D110-R112 IonicContact OD2-NH2 3.14Å; D110-R112 PolarHBondContact OD2-NH2 3.3Å
111N88.1Confident94.8Very high50 Ų5048.2 Ų48.227%0.26723%0.228SC..  trans-100.38.9-176.7-82.75.8000114.3D50 T113 E114D50-N111 PolarHBondContact O-N 2.85Å; D50-N111 VanDerWaalsContact O-N 3.15Å; N111-T113 PolarHBondContact O-N 3.09Å; N111-E114 VanDerWaalsContact O-CB 3.22Å; N111-E114 WeakPolarHBondContact O-CB 3.22Å; N111-E114 PolarHBondContact O-N 2.84Å
112R94.9Very high94.6Very high24 Ų2457 Ų579%0.09126%0.256CS..THydrogen-bonded Turntrans-59.8-11.7-178.785.1-174.166.6-161.3-8.8115.1W51 E53 D110 W151W51-R112 HydrophobicContact CD2-CB 3.83Å; W51-R112 HydrophobicContact CE3-CB 4.5Å; W51-R112 VanDerWaalsContact CE3-CZ 3.41Å; W51-R112 HydrophobicContact CG-CB 4.18Å; W51-R112 HydrophobicContact CH2-CB 4.3Å; W51-R112 HydrophobicContact CZ2-CB 3.61Å; E53-R112 VanDerWaalsContact CG-NH2 3.3Å; E53-R112 IonicContact OE1-CZ 3.67Å; E53-R112 VanDerWaalsContact OE1-CZ 3.23Å; E53-R112 IonicContact OE1-NH1 3.29Å; E53-R112 PolarHBondContact OE1-NH1 2.98Å; E53-R112 IonicContact OE1-NH2 3.54Å; E53-R112 PolarHBondContact OE1-NH2 3.1Å; D110-R112 VanDerWaalsContact CG-NE 3.34Å; D110-R112 WeakPolarHBondContact OD1-CB 3.38Å; D110-R112 WeakPolarHBondContact OD1-CG 3.35Å; D110-R112 IonicContact OD1-CZ 3.2Å; D110-R112 PolarHBondContact OD1-N 3.5Å; D110-R112 IonicContact OD1-NE 2.66Å; D110-R112 PolarHBondContact OD1-NE 2.87Å; D110-R112 IonicContact OD1-NH2 2.7Å; D110-R112 IonicContact OD2-CZ 3.78Å; D110-R112 IonicContact OD2-NE 3.45Å; D110-R112 PolarHBondContact OD2-NE 2.92Å; D110-R112 IonicContact OD2-NH2 3.14Å; D110-R112 PolarHBondContact OD2-NH2 3.3Å; R112-W151 VanDerWaalsContact CD-CD2 3.46Å; R112-W151 VanDerWaalsContact CD-CE2 3.47Å; R112-W151 HydrophobicContact CG-CD2 4.22Å; R112-W151 HydrophobicContact CG-CG 4.15Å
113T95.8Very high94.5Very high2 Ų258.2 Ų58.21%0.01227%0.268CS..THydrogen-bonded Turntrans-1068.7-179.457.60000113.6N111 R116 A117 P142 L147 W151N111-T113 PolarHBondContact O-N 3.09Å; T113-R116 PolarHBondContact O-N 3.05Å; T113-A117 WeakPolarHBondContact O-CB 3.46Å; T113-A117 PolarHBondContact O-N 3.09Å; T113-P142 WeakPolarHBondContact OG1-CA 3.34Å; T113-P142 WeakPolarHBondContact OG1-CB 3.47Å; T113-L147 HydrophobicContact CG2-CB 4Å; T113-L147 WeakPolarHBondContact CG2-O 3.14Å; T113-W151 HydrophobicContact CG2-CB 3.98Å; T113-W151 HydrophobicContact CG2-CG 4.42Å
114E91.8Very high94.4Very high90 Ų9056.2 Ų56.242%0.42126%0.262SS..Hα-helixtrans-57.1-57.7177.1-173.9166.3-12300113.1N111 R116 A117 E118 P142N111-E114 VanDerWaalsContact O-CB 3.22Å; N111-E114 WeakPolarHBondContact O-CB 3.22Å; N111-E114 PolarHBondContact O-N 2.84Å; E114-R116 PolarHBondContact O-N 3.27Å; E114-R116 VanDerWaalsContact O-N 3.09Å; E114-A117 CarbonylContact O-C 3.56Å; E114-A117 WeakPolarHBondContact O-CA 3.45Å; E114-A117 WeakPolarHBondContact O-CB 3.26Å; E114-A117 PolarHBondContact O-N 2.96Å; E114-E118 WeakPolarHBondContact O-CG 3.32Å; E114-E118 PolarHBondContact O-N 3.18Å; E114-P142 HydrophobicContact CB-CG 4.07Å
115E92.9Very high94.3Very high161 Ų16157.8 Ų57.875%0.75228%0.275SS*.Hα-helixtrans-53.3-37.7177-173.5-172.7173.100112.4H119E115-H119 WeakPolarHBondContact O-CB 3.39Å; E115-H119 PolarHBondContact O-N 2.98Å
116R95.9Very high94.1Very high81 Ų8159.4 Ų59.431%0.30629%0.292SS..Hα-helixtrans-71-40.9175.9174.2165.5-78.5161.4-5.9112.4T113 E114 H119 L120 L147 E154T113-R116 PolarHBondContact O-N 3.05Å; E114-R116 PolarHBondContact O-N 3.27Å; E114-R116 VanDerWaalsContact O-N 3.09Å; R116-H119 PolarHBondContact O-N 3.45Å; R116-L120 HydrophobicContact CG-CD1 4.09Å; R116-L120 WeakPolarHBondContact O-CB 3.32Å; R116-L120 VanDerWaalsContact O-CG 3.28Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.28Å; R116-L147 HydrophobicContact CG-CD2 4.28Å; R116-E154 IonicContact CZ-OE1 3.36Å; R116-E154 IonicContact CZ-OE2 3.49Å; R116-E154 IonicContact NH1-OE1 3.64Å; R116-E154 IonicContact NH1-OE2 2.71Å; R116-E154 PolarHBondContact NH1-OE2 3.46Å; R116-E154 VanDerWaalsContact NH2-CD 3.35Å; R116-E154 IonicContact NH2-OE1 2.73Å; R116-E154 PolarHBondContact NH2-OE1 2.76Å; R116-E154 IonicContact NH2-OE2 3.85Å; R116-E154 PolarHBondContact NH2-OE2 3.08Å
117A94Very high93.9Very high3 Ų365.1 Ų65.13%0.02532%0.321CS..Hα-helixtrans-63.2-46.2175.600000110.9T113 E114 L120 N121 P142 L147T113-A117 WeakPolarHBondContact O-CB 3.46Å; T113-A117 PolarHBondContact O-N 3.09Å; E114-A117 CarbonylContact O-C 3.56Å; E114-A117 WeakPolarHBondContact O-CA 3.45Å; E114-A117 WeakPolarHBondContact O-CB 3.26Å; E114-A117 PolarHBondContact O-N 2.96Å; A117-L120 PolarHBondContact O-N 2.94Å; A117-N121 VanDerWaalsContact O-CB 3.29Å; A117-N121 WeakPolarHBondContact O-CB 3.35Å; A117-N121 PolarHBondContact O-N 2.97Å; A117-N121 PolarHBondContact O-ND2 3.5Å; A117-P142 HydrophobicContact CB-CG 4.35Å; A117-L147 HydrophobicContact CB-CD1 3.67Å
118E92Very high93.9Very high120 Ų12066.6 Ų66.656%0.56133%0.33SS*.Hα-helixtrans-60.8-47.4174.7-69.6-177.4158.400111.8E114 L120 N121 R122E114-E118 WeakPolarHBondContact O-CG 3.32Å; E114-E118 PolarHBondContact O-N 3.18Å; E118-L120 PolarHBondContact O-N 3.49Å; E118-N121 CarbonylContact O-C 3.48Å; E118-N121 PolarHBondContact O-N 2.8Å; E118-N121 VanDerWaalsContact O-N 3.17Å; E118-R122 WeakPolarHBondContact O-CB 3.29Å; E118-R122 PolarHBondContact O-N 3.36Å
119H95.2Very high93.9Very high96 Ų9666.2 Ų66.244%0.44433%0.33SS..Hα-helixtrans-55.7-52.9176.2-179100.6000110.8E115 R116 N121 R122 T123E115-H119 WeakPolarHBondContact O-CB 3.39Å; E115-H119 PolarHBondContact O-N 2.98Å; R116-H119 PolarHBondContact O-N 3.45Å; H119-N121 VanDerWaalsContact C-N 3.31Å; H119-N121 PolarHBondContact O-N 2.82Å; H119-R122 PolarHBondContact O-N 3.2Å; H119-R122 VanDerWaalsContact O-N 3.14Å; H119-T123 PolarHBondContact CD2-OG1 3.45Å; H119-T123 PolarHBondContact NE2-OG1 2.73Å; H119-T123 WeakPolarHBondContact O-CG2 3.33Å; H119-T123 PolarHBondContact O-N 2.87Å; H119-T123 PolarHBondContact O-OG1 3.43Å
120L95.9Very high94.2Very high29 Ų2972.5 Ų72.515%0.15235%0.349CS..Hα-helixtrans-61.2-39.5177.4-70.5171.6000111.7R116 A117 E118 R122 L124 I140 L147 F218R116-L120 HydrophobicContact CG-CD1 4.09Å; R116-L120 WeakPolarHBondContact O-CB 3.32Å; R116-L120 VanDerWaalsContact O-CG 3.28Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.28Å; A117-L120 PolarHBondContact O-N 2.94Å; E118-L120 PolarHBondContact O-N 3.49Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 2.92Å; L120-L124 HydrophobicContact CB-CD1 3.95Å; L120-L124 HydrophobicContact CB-CG 4.34Å; L120-L124 HydrophobicContact CD2-CD1 4.08Å; L120-L124 HydrophobicContact CD2-CD2 4.44Å; L120-L124 HydrophobicContact CD2-CG 4.21Å; L120-L124 WeakPolarHBondContact O-CB 3.14Å; L120-L124 WeakPolarHBondContact O-CG 3.15Å; L120-L124 PolarHBondContact O-N 3.44Å; L120-I140 HydrophobicContact CB-CG2 4.19Å; L120-I140 HydrophobicContact CD1-CG2 4.25Å; L120-L147 HydrophobicContact CD1-CD2 3.79Å; L120-F218 HydrophobicContact CD1-CD1 4.35Å; L120-F218 HydrophobicContact CD1-CE1 4.21Å
121N92.2Very high94.3Very high60 Ų6076.4 Ų76.432%0.32137%0.366SS..Hα-helixtrans-65.9-32.2176.3-82.2-49000112.6A117 E118 H119 K129 I140A117-N121 VanDerWaalsContact O-CB 3.29Å; A117-N121 WeakPolarHBondContact O-CB 3.35Å; A117-N121 PolarHBondContact O-N 2.97Å; A117-N121 PolarHBondContact O-ND2 3.5Å; E118-N121 CarbonylContact O-C 3.48Å; E118-N121 PolarHBondContact O-N 2.8Å; E118-N121 VanDerWaalsContact O-N 3.17Å; H119-N121 VanDerWaalsContact C-N 3.31Å; H119-N121 PolarHBondContact O-N 2.82Å; N121-K129 PolarHBondContact O-NZ 2.82Å; N121-I140 PolarHBondContact ND2-O 3.2Å
122R94.6Very high94.7Very high205 Ų20574 Ų7477%0.77435%0.353SS*.Hα-helixtrans-80-40.3177-176.4169.259.4168.1-4.7113E118 H119 L120E118-R122 WeakPolarHBondContact O-CB 3.29Å; E118-R122 PolarHBondContact O-N 3.36Å; H119-R122 PolarHBondContact O-N 3.2Å; H119-R122 VanDerWaalsContact O-N 3.14Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 2.92Å
123T96.2Very high94.7Very high75 Ų7575.5 Ų75.546%0.4637%0.365SS..Hα-helixtrans-94.1-27-171.861.60000114.6H119H119-T123 PolarHBondContact CD2-OG1 3.45Å; H119-T123 PolarHBondContact NE2-OG1 2.73Å; H119-T123 WeakPolarHBondContact O-CG2 3.33Å; H119-T123 PolarHBondContact O-N 2.87Å; H119-T123 PolarHBondContact O-OG1 3.43Å
124L96.2Very high94.7Very high31 Ų3183.2 Ų83.216%0.16239%0.394CS..SBendtrans-74.1131.2179.7-65.5175.4000111.7L120 G126 V128 K129 I140 L217L120-L124 HydrophobicContact CB-CD1 3.95Å; L120-L124 HydrophobicContact CB-CG 4.34Å; L120-L124 HydrophobicContact CD2-CD1 4.08Å; L120-L124 HydrophobicContact CD2-CD2 4.44Å; L120-L124 HydrophobicContact CD2-CG 4.21Å; L120-L124 WeakPolarHBondContact O-CB 3.14Å; L120-L124 WeakPolarHBondContact O-CG 3.15Å; L120-L124 PolarHBondContact O-N 3.44Å; L124-G126 PolarHBondContact O-N 3.14Å; L124-V128 HydrophobicContact CB-CG1 4.24Å; L124-V128 HydrophobicContact CD1-CG1 4.26Å; L124-V128 HydrophobicContact CD2-CG1 4.1Å; L124-V128 HydrophobicContact CG-CG1 4.44Å; L124-K129 HydrophobicContact CB-CD 4.2Å; L124-K129 HydrophobicContact CB-CG 3.77Å; L124-K129 HydrophobicContact CD1-CG 4.39Å; L124-I140 HydrophobicContact CD1-CD1 3.58Å; L124-L217 HydrophobicContact CD1-CD1 3.9Å; L124-L217 HydrophobicContact CD2-CD1 3.88Å
125P96.3Very high95Very high77 Ų7780.6 Ų80.650%0.538%0.381SS..  trans-52.5140.8173.9-27.734.9000112.3I127 V128 K129P125-I127 HydrophobicContact CB-CG2 4.19Å; P125-I127 PolarHBondContact O-N 2.84Å; P125-V128 HydrophobicContact CB-CG2 4.22Å; P125-V128 HydrophobicContact CG-CG2 4.31Å; P125-V128 WeakPolarHBondContact O-CA 3.46Å; P125-V128 WeakPolarHBondContact O-CB 3.25Å; P125-V128 PolarHBondContact O-N 2.82Å; P125-K129 PolarHBondContact O-N 3.41Å
126G93.9Very high95.2Very high35 Ų3573 Ų7336%0.36135%0.345SS..Hα-helixtrans-55.6-28.3-177.400000114.4L124 R130L124-G126 PolarHBondContact O-N 3.14Å; G126-R130 WeakPolarHBondContact O-CB 3.49Å; G126-R130 WeakPolarHBondContact O-CG 3.45Å; G126-R130 PolarHBondContact O-N 3.17Å; G126-R130 VanDerWaalsContact O-N 3.07Å
127I95.8Very high95.2Very high120 Ų12069.4 Ų69.462%0.61533%0.334SS*.Hα-helixtrans-69.9-34.9173.6-166.4167000113.1P125 K131P125-I127 HydrophobicContact CB-CG2 4.19Å; P125-I127 PolarHBondContact O-N 2.84Å; I127-K131 VanDerWaalsContact O-CB 3.31Å; I127-K131 WeakPolarHBondContact O-CB 3.28Å; I127-K131 PolarHBondContact O-N 2.98Å
128V96.3Very high95.3Very high31 Ų3169.3 Ų69.319%0.18833%0.333CS..Hα-helixtrans-66.9-48.7176.2166.90000109.9L124 P125 K131 A132 Y213 L217L124-V128 HydrophobicContact CB-CG1 4.24Å; L124-V128 HydrophobicContact CD1-CG1 4.26Å; L124-V128 HydrophobicContact CD2-CG1 4.1Å; L124-V128 HydrophobicContact CG-CG1 4.44Å; P125-V128 HydrophobicContact CB-CG2 4.22Å; P125-V128 HydrophobicContact CG-CG2 4.31Å; P125-V128 WeakPolarHBondContact O-CA 3.46Å; P125-V128 WeakPolarHBondContact O-CB 3.25Å; P125-V128 PolarHBondContact O-N 2.82Å; V128-K131 PolarHBondContact O-N 2.89Å; V128-A132 PolarHBondContact O-N 2.97Å; V128-Y213 WeakPolarHBondContact CA-OH 3.37Å; V128-Y213 WeakPolarHBondContact CG1-OH 3.33Å; V128-Y213 PolarHBondContact O-OH 3.27Å; V128-L217 HydrophobicContact CG1-CD1 3.83Å; V128-L217 HydrophobicContact CG1-CD2 4.34Å
129K93.5Very high95.3Very high63 Ų6365.5 Ų65.527%0.27432%0.319SS..Hα-helixtrans-59-50.3176.9-60.1-169.1-64.3177.90111.7N121 L124 P125 K131 A132 T133 I140N121-K129 PolarHBondContact O-NZ 2.82Å; L124-K129 HydrophobicContact CB-CD 4.2Å; L124-K129 HydrophobicContact CB-CG 3.77Å; L124-K129 HydrophobicContact CD1-CG 4.39Å; P125-K129 PolarHBondContact O-N 3.41Å; K129-K131 VanDerWaalsContact C-N 3.29Å; K129-K131 PolarHBondContact O-N 3.45Å; K129-A132 WeakPolarHBondContact O-CB 3.39Å; K129-A132 PolarHBondContact O-N 2.85Å; K129-A132 VanDerWaalsContact O-N 3.13Å; K129-T133 PolarHBondContact O-N 3.45Å; K129-T133 PolarHBondContact O-OG1 3.45Å; K129-I140 HydrophobicContact CG-CD1 4.36Å
130R93.5Very high95.2Very high170 Ų17061.2 Ų61.264%0.64230%0.299SS*.Hα-helixtrans-59.1-36.8175.4-73.7-171-59-99.55.2113.1G126 R134G126-R130 WeakPolarHBondContact O-CB 3.49Å; G126-R130 WeakPolarHBondContact O-CG 3.45Å; G126-R130 PolarHBondContact O-N 3.17Å; G126-R130 VanDerWaalsContact O-N 3.07Å; R130-R134 VanDerWaalsContact O-CB 3.27Å; R130-R134 WeakPolarHBondContact O-CB 3.23Å; R130-R134 PolarHBondContact O-N 2.98Å
131K96.3Very high95Very high81 Ų8162.1 Ų62.135%0.35230%0.302SS..Hα-helixtrans-69.7-36.3176.8-176.8176.1167.5-164.60112.1I127 V128 K129 K135 Y213I127-K131 VanDerWaalsContact O-CB 3.31Å; I127-K131 WeakPolarHBondContact O-CB 3.28Å; I127-K131 PolarHBondContact O-N 2.98Å; V128-K131 PolarHBondContact O-N 2.89Å; K129-K131 VanDerWaalsContact C-N 3.29Å; K129-K131 PolarHBondContact O-N 3.45Å; K131-K135 WeakPolarHBondContact O-CG 3.45Å; K131-K135 PolarHBondContact O-N 2.59Å; K131-Y213 HydrophobicContact CB-CE1 4.08Å; K131-Y213 HydrophobicContact CD-CD1 4.27Å; K131-Y213 HydrophobicContact CD-CD2 4.37Å; K131-Y213 HydrophobicContact CD-CE1 3.76Å; K131-Y213 HydrophobicContact CD-CE2 3.86Å; K131-Y213 HydrophobicContact CG-CD1 4.21Å; K131-Y213 HydrophobicContact CG-CE1 3.67Å
132A96.5Very high94.9Very high0 Ų059.4 Ų59.40%029%0.288CS..Hα-helixtrans-63.5-54.7173.500000110.7V128 K129 R134 K135 S136 L214 L217V128-A132 PolarHBondContact O-N 2.97Å; K129-A132 WeakPolarHBondContact O-CB 3.39Å; K129-A132 PolarHBondContact O-N 2.85Å; K129-A132 VanDerWaalsContact O-N 3.13Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 2.8Å; A132-K135 PolarHBondContact O-N 3.48Å; A132-S136 PolarHBondContact O-N 2.69Å; A132-S136 PolarHBondContact O-OG 3.17Å; A132-S136 VanDerWaalsContact O-OG 3.05Å; A132-L214 HydrophobicContact CB-CD2 3.9Å; A132-L217 HydrophobicContact CB-CD2 3.81Å
133T94.6Very high94.7Very high55 Ų5551.1 Ų51.134%0.33726%0.257SS..Hα-helixtrans-61.4-36178.4-58.40000113.4K129 K135 G137 L138K129-T133 PolarHBondContact O-N 3.45Å; K129-T133 PolarHBondContact O-OG1 3.45Å; T133-K135 VanDerWaalsContact C-N 3.29Å; T133-K135 PolarHBondContact O-N 3Å; T133-G137 WeakPolarHBondContact O-CA 3.27Å; T133-G137 PolarHBondContact O-N 3.49Å; T133-L138 VanDerWaalsContact CA-O 3.26Å; T133-L138 WeakPolarHBondContact CA-O 3.39Å; T133-L138 WeakPolarHBondContact CB-O 3.47Å; T133-L138 WeakPolarHBondContact CG2-O 3.32Å; T133-L138 PolarHBondContact OG1-O 3Å
134R95.6Very high94.7Very high164 Ų16447.6 Ų47.662%0.61924%0.236SC*.Hα-helixtrans-66-30.3174.3-169.1-177.371.2-1683.4112.9R130 A132R130-R134 VanDerWaalsContact O-CB 3.27Å; R130-R134 WeakPolarHBondContact O-CB 3.23Å; R130-R134 PolarHBondContact O-N 2.98Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 2.8Å
135K97.6Very high94.9Very high35 Ų3546.1 Ų46.115%0.15223%0.228CC..Hα-helixtrans-79.6-49.1178-78.5172.4163.9-74.90111.6K131 A132 T133 N204 L205 D211 Y213 L214K131-K135 WeakPolarHBondContact O-CG 3.45Å; K131-K135 PolarHBondContact O-N 2.59Å; A132-K135 PolarHBondContact O-N 3.48Å; T133-K135 VanDerWaalsContact C-N 3.29Å; T133-K135 PolarHBondContact O-N 3Å; K135-N204 HydrophobicContact CB-CB 4.48Å; K135-N204 PolarHBondContact NZ-ND2 2.83Å; K135-N204 CarbonylContact O-C 3.2Å; K135-N204 WeakPolarHBondContact O-CA 3.49Å; K135-L205 PolarHBondContact O-N 2.68Å; K135-D211 WeakPolarHBondContact CD-OD1 3.29Å; K135-D211 VanDerWaalsContact CE-OD1 3.31Å; K135-D211 WeakPolarHBondContact CE-OD1 3.49Å; K135-D211 IonicContact NZ-OD1 2.79Å; K135-D211 PolarHBondContact NZ-OD1 3.47Å; K135-D211 IonicContact NZ-OD2 3Å; K135-D211 PolarHBondContact NZ-OD2 2.92Å; K135-Y213 HydrophobicContact CD-CD1 3.87Å; K135-L214 HydrophobicContact CB-CD1 4.01Å; K135-L214 HydrophobicContact CB-CD2 4.34Å; K135-L214 HydrophobicContact CB-CG 4.34Å; K135-L214 HydrophobicContact CD-CG 4.39Å
136S97.7Very high95Very high1 Ų142.5 Ų42.51%0.00720%0.204CC..Hα-helixtrans-86.5-24.7-174.560.10000114.5A132 L138 L201 M203 L205A132-S136 PolarHBondContact O-N 2.69Å; A132-S136 PolarHBondContact O-OG 3.17Å; A132-S136 VanDerWaalsContact O-OG 3.05Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact OG-N 3.15Å; S136-L138 VanDerWaalsContact OG-N 3.1Å; S136-L138 PolarHBondContact OG-O 3.07Å; S136-L201 VanDerWaalsContact OG-CD1 3.27Å; S136-L201 WeakPolarHBondContact OG-CD1 3.4Å; S136-M203 WeakPolarHBondContact CA-O 3.49Å; S136-L205 WeakPolarHBondContact O-CD1 3.41Å; S136-L205 WeakPolarHBondContact O-CG 3.47Å
137G96.2Very high95.2Very high7 Ų740.9 Ų40.97%0.07219%0.187CC..SBendtrans79.33.8-16600000114.8T133 T298T133-G137 WeakPolarHBondContact O-CA 3.27Å; T133-G137 PolarHBondContact O-N 3.49Å; G137-T298 WeakPolarHBondContact CA-O 3.45Å; G137-T298 PolarHBondContact O-N 2.94Å
138L94.5Very high95.3Very high0 Ų035.1 Ų35.10%016%0.158CC..  trans-124.2148.5-167.9-50.7177.4000112.8T133 S136 F144 S198 L201 L297T133-L138 VanDerWaalsContact CA-O 3.26Å; T133-L138 WeakPolarHBondContact CA-O 3.39Å; T133-L138 WeakPolarHBondContact CB-O 3.47Å; T133-L138 WeakPolarHBondContact CG2-O 3.32Å; T133-L138 PolarHBondContact OG1-O 3Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact OG-N 3.15Å; S136-L138 VanDerWaalsContact OG-N 3.1Å; S136-L138 PolarHBondContact OG-O 3.07Å; L138-F144 HydrophobicContact CB-CD2 4.17Å; L138-F144 HydrophobicContact CB-CE1 4.44Å; L138-F144 HydrophobicContact CB-CE2 3.86Å; L138-F144 HydrophobicContact CB-CZ 4.01Å; L138-F144 HydrophobicContact CD1-CD1 3.64Å; L138-F144 HydrophobicContact CD1-CD2 4.28Å; L138-F144 HydrophobicContact CD1-CE1 3.83Å; L138-F144 HydrophobicContact CD1-CE2 4.44Å; L138-F144 HydrophobicContact CD1-CG 3.88Å; L138-F144 HydrophobicContact CD1-CZ 4.23Å; L138-F144 HydrophobicContact CD2-CE1 3.89Å; L138-F144 HydrophobicContact CD2-CZ 3.95Å; L138-F144 HydrophobicContact CG-CE1 4.27Å; L138-F144 HydrophobicContact CG-CZ 4.28Å; L138-S198 WeakPolarHBondContact CD1-O 3.36Å; L138-L201 HydrophobicContact CB-CD1 4.22Å; L138-L201 HydrophobicContact CD1-CB 4.19Å; L138-L297 HydrophobicContact CD2-CB 4.08Å; L138-L297 HydrophobicContact CD2-CD1 4.22Å; L138-L297 HydrophobicContact CD2-CD2 4.09Å; L138-L297 HydrophobicContact CD2-CG 4.36Å
139P92.2Very high95.4Very high41 Ų4133.7 Ų33.727%0.26615%0.149SC..  trans-73.9165.5167.530.4-31.5000111.7H141 F144 L297P139-H141 HydrophobicContact CG-CB 4.4Å; P139-H141 PolarHBondContact O-N 2.82Å; P139-F144 HydrophobicContact CG-CE2 3.97Å; P139-F144 VanDerWaalsContact O-CD2 3.3Å; P139-F144 WeakPolarHBondContact O-CD2 3.45Å; P139-F144 VanDerWaalsContact O-CE2 3.29Å; P139-F144 WeakPolarHBondContact O-CE2 3.33Å; P139-L297 VanDerWaalsContact CD-CD2 3.45Å; P139-L297 HydrophobicContact CG-CD2 4.2Å
140I94.3Very high95.7Very high5 Ų533.1 Ų33.13%0.02615%0.145CC..SBendtrans-78.8105.9167.9-58.4177.7000107.2L120 N121 L124 K129 L147 F218L120-I140 HydrophobicContact CB-CG2 4.19Å; L120-I140 HydrophobicContact CD1-CG2 4.25Å; N121-I140 PolarHBondContact ND2-O 3.2Å; L124-I140 HydrophobicContact CD1-CD1 3.58Å; K129-I140 HydrophobicContact CG-CD1 4.36Å; I140-L147 HydrophobicContact CG2-CD1 4.36Å; I140-F218 HydrophobicContact CD1-CZ 4.47Å; I140-F218 HydrophobicContact CG1-CE1 4.5Å; I140-F218 HydrophobicContact CG1-CZ 4.23Å; I140-F218 HydrophobicContact CG2-CE1 4.39Å
141H91.3Very high95.9Very high48 Ų4826.6 Ų26.622%0.22212%0.12CC..  trans-150.3146.4-172.2-170.1-98.7000110.6P139 Y143 F144P139-H141 HydrophobicContact CG-CB 4.4Å; P139-H141 PolarHBondContact O-N 2.82Å; H141-Y143 VanDerWaalsContact ND1-CB 3.33Å; H141-Y143 WeakPolarHBondContact ND1-CB 3.36Å; H141-Y143 PolarHBondContact ND1-N 2.95Å; H141-Y143 PolarHBondContact O-N 3.31Å; H141-F144 HydrophobicContact CB-CD2 4.12Å; H141-F144 HydrophobicContact CB-CE2 3.9Å; H141-F144 PolarHBondContact O-N 3.33Å
142P90.7Very high96Very high4 Ų422.8 Ų22.83%0.02610%0.104CC..THydrogen-bonded Turntrans-51.9-31.3-178.4-15.616.5000114.9T113 E114 A117 F144 K148T113-P142 WeakPolarHBondContact OG1-CA 3.34Å; T113-P142 WeakPolarHBondContact OG1-CB 3.47Å; E114-P142 HydrophobicContact CB-CG 4.07Å; A117-P142 HydrophobicContact CB-CG 4.35Å; P142-F144 VanDerWaalsContact C-N 3.26Å; P142-F144 PolarHBondContact O-N 3.19Å; P142-K148 PolarHBondContact O-NZ 3Å
143Y90.6Very high96.1Very high30 Ų3023.6 Ų23.612%0.11811%0.108CC..THydrogen-bonded Turntrans-47.3-45.7179.9-170-179.2000112.1E89 W108 H141 K148E89-Y143 HydrophobicContact CB-CD2 4.13Å; E89-Y143 HydrophobicContact CB-CE2 4.2Å; E89-Y143 WeakPolarHBondContact CB-O 3.31Å; E89-Y143 HydrophobicContact CG-CD2 3.78Å; E89-Y143 HydrophobicContact CG-CE2 3.78Å; E89-Y143 WeakPolarHBondContact OE2-CE2 3.44Å; W108-Y143 HydrophobicContact CB-CD2 3.92Å; W108-Y143 HydrophobicContact CB-CE2 3.77Å; W108-Y143 HydrophobicContact CD2-CE2 4.04Å; W108-Y143 AromaticContact CE3-CD2 3.96Å; W108-Y143 HydrophobicContact CE3-CD2 3.96Å; W108-Y143 AromaticContact CE3-CE2 3.5Å; W108-Y143 HydrophobicContact CE3-CE2 3.5Å; W108-Y143 HydrophobicContact CG-CE2 4.18Å; W108-Y143 HydrophobicContact CZ3-CE2 4.42Å; W108-Y143 WeakPolarHBondContact O-CA 3.45Å; H141-Y143 VanDerWaalsContact ND1-CB 3.33Å; H141-Y143 WeakPolarHBondContact ND1-CB 3.36Å; H141-Y143 PolarHBondContact ND1-N 2.95Å; H141-Y143 PolarHBondContact O-N 3.31Å; Y143-K148 PolarHBondContact O-NZ 3.19Å
144F96.1Very high96.2Very high2 Ų225 Ų251%0.00911%0.111CC..SBendtrans-84.2151.7-168.4-50-60000114.9E89 L138 P139 H141 P142 A146 R199 L201 L297E89-F144 HydrophobicContact CG-CD1 3.85Å; L138-F144 HydrophobicContact CB-CD2 4.17Å; L138-F144 HydrophobicContact CB-CE1 4.44Å; L138-F144 HydrophobicContact CB-CE2 3.86Å; L138-F144 HydrophobicContact CB-CZ 4.01Å; L138-F144 HydrophobicContact CD1-CD1 3.64Å; L138-F144 HydrophobicContact CD1-CD2 4.28Å; L138-F144 HydrophobicContact CD1-CE1 3.83Å; L138-F144 HydrophobicContact CD1-CE2 4.44Å; L138-F144 HydrophobicContact CD1-CG 3.88Å; L138-F144 HydrophobicContact CD1-CZ 4.23Å; L138-F144 HydrophobicContact CD2-CE1 3.89Å; L138-F144 HydrophobicContact CD2-CZ 3.95Å; L138-F144 HydrophobicContact CG-CE1 4.27Å; L138-F144 HydrophobicContact CG-CZ 4.28Å; P139-F144 HydrophobicContact CG-CE2 3.97Å; P139-F144 VanDerWaalsContact O-CD2 3.3Å; P139-F144 WeakPolarHBondContact O-CD2 3.45Å; P139-F144 VanDerWaalsContact O-CE2 3.29Å; P139-F144 WeakPolarHBondContact O-CE2 3.33Å; H141-F144 HydrophobicContact CB-CD2 4.12Å; H141-F144 HydrophobicContact CB-CE2 3.9Å; H141-F144 PolarHBondContact O-N 3.33Å; P142-F144 VanDerWaalsContact C-N 3.26Å; P142-F144 PolarHBondContact O-N 3.19Å; F144-A146 PolarHBondContact O-N 2.97Å; F144-R199 WeakPolarHBondContact CD1-O 3.45Å; F144-L201 HydrophobicContact CB-CB 3.81Å; F144-L201 HydrophobicContact CB-CD2 4.33Å; F144-L201 HydrophobicContact CD2-CD2 4.33Å; F144-L201 HydrophobicContact CG-CB 4.39Å; F144-L297 HydrophobicContact CE1-CD1 4.22Å; F144-L297 HydrophobicContact CZ-CD1 4.06Å; F144-L297 HydrophobicContact CZ-CD2 3.97Å
145S98.7Very high96.4Very high0 Ų021.6 Ų21.60%011%0.105CC..Hα-helixtrans-63.6-32-167.1-42.90000114.9E89 L147 K148 I149E89-S145 WeakPolarHBondContact CA-OG 3.49Å; E89-S145 PolarHBondContact O-OG 3.02Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 2.92Å; S145-K148 WeakPolarHBondContact O-CB 3.4Å; S145-K148 PolarHBondContact O-N 3.23Å; S145-I149 WeakPolarHBondContact O-CG1 3.36Å; S145-I149 PolarHBondContact O-N 2.9Å
146A98.7Very high96.4Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-50.8-48.7-177.300000113.1F144 K148 I149 R150 T200 L201 L202 F218 I220F144-A146 PolarHBondContact O-N 2.97Å; A146-K148 VanDerWaalsContact C-N 3.32Å; A146-K148 PolarHBondContact O-N 3.13Å; A146-I149 PolarHBondContact O-N 3.24Å; A146-R150 WeakPolarHBondContact O-CB 3.39Å; A146-R150 PolarHBondContact O-N 3.24Å; A146-T200 WeakPolarHBondContact CB-O 3.27Å; A146-T200 PolarHBondContact N-O 2.99Å; A146-L201 HydrophobicContact CB-CB 4.08Å; A146-L201 HydrophobicContact CB-CD2 4.5Å; A146-L201 HydrophobicContact CB-CG 4.35Å; A146-L202 HydrophobicContact CB-CD2 3.67Å; A146-L202 HydrophobicContact CB-CG 3.99Å; A146-F218 HydrophobicContact CB-CB 4.28Å; A146-F218 HydrophobicContact CB-CD1 4.33Å; A146-F218 HydrophobicContact CB-CD2 3.9Å; A146-F218 HydrophobicContact CB-CE2 4.39Å; A146-F218 HydrophobicContact CB-CG 3.9Å; A146-I220 HydrophobicContact CB-CD1 4.17Å; A146-I220 WeakPolarHBondContact O-CD1 3.3Å
147L98.4Very high96.4Very high1 Ų129.4 Ų29.41%0.00514%0.143CC..Hα-helixtrans-68.3-35.1-178.7-59.2-178.5000111.8T113 R116 A117 L120 I140 S145 R150 W151 F218T113-L147 HydrophobicContact CG2-CB 4Å; T113-L147 WeakPolarHBondContact CG2-O 3.14Å; R116-L147 HydrophobicContact CG-CD2 4.28Å; A117-L147 HydrophobicContact CB-CD1 3.67Å; L120-L147 HydrophobicContact CD1-CD2 3.79Å; I140-L147 HydrophobicContact CG2-CD1 4.36Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 2.92Å; L147-R150 PolarHBondContact O-N 2.6Å; L147-W151 WeakPolarHBondContact O-CB 3.22Å; L147-W151 PolarHBondContact O-N 2.86Å; L147-F218 HydrophobicContact CD2-CD1 3.86Å; L147-F218 HydrophobicContact CD2-CE1 3.99Å
148K98.6Very high96.4Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-68.7-42.7176.7-62.5175.1160.178.10111.8I91 I106 V107 W108 P142 Y143 S145 A146 W151 L152I91-K148 HydrophobicContact CG2-CB 3.59Å; I91-K148 HydrophobicContact CG2-CD 4.33Å; I106-K148 HydrophobicContact CB-CB 4.48Å; I106-K148 HydrophobicContact CB-CD 4.25Å; I106-K148 HydrophobicContact CG2-CB 4.39Å; I106-K148 HydrophobicContact CG2-CD 3.81Å; I106-K148 HydrophobicContact CG2-CG 3.95Å; V107-K148 WeakPolarHBondContact O-CE 3.5Å; V107-K148 PolarHBondContact O-NZ 3.42Å; W108-K148 PolarHBondContact O-NZ 3.5Å; P142-K148 PolarHBondContact O-NZ 3Å; Y143-K148 PolarHBondContact O-NZ 3.19Å; S145-K148 WeakPolarHBondContact O-CB 3.4Å; S145-K148 PolarHBondContact O-N 3.23Å; A146-K148 VanDerWaalsContact C-N 3.32Å; A146-K148 PolarHBondContact O-N 3.13Å; K148-W151 PolarHBondContact O-N 3.42Å; K148-L152 WeakPolarHBondContact O-CG 3.33Å; K148-L152 PolarHBondContact O-N 2.74Å
149I98.8Very high96.6Very high1 Ų130.5 Ų30.51%0.00515%0.154CC..Hα-helixtrans-56.7-52.5171.1-65.9163.1000109.2I91 L93 S145 A146 W151 L152 L153 L202 I220 I224 L225I91-I149 HydrophobicContact CD1-CD1 3.92Å; I91-I149 HydrophobicContact CD1-CG1 3.86Å; I91-I149 HydrophobicContact CG1-CD1 4.32Å; I91-I149 HydrophobicContact CG1-CG1 3.68Å; L93-I149 HydrophobicContact CD1-CG1 4.28Å; L93-I149 HydrophobicContact CD1-CG2 4.46Å; S145-I149 WeakPolarHBondContact O-CG1 3.36Å; S145-I149 PolarHBondContact O-N 2.9Å; A146-I149 PolarHBondContact O-N 3.24Å; I149-W151 VanDerWaalsContact C-N 3.28Å; I149-W151 PolarHBondContact O-N 2.86Å; I149-L152 WeakPolarHBondContact O-CB 3.31Å; I149-L152 PolarHBondContact O-N 3.01Å; I149-L153 HydrophobicContact CG2-CD1 4.02Å; I149-L153 HydrophobicContact CG2-CG 4.21Å; I149-L153 WeakPolarHBondContact O-CG 3.31Å; I149-L153 PolarHBondContact O-N 2.7Å; I149-L202 HydrophobicContact CD1-CD1 3.89Å; I149-I220 HydrophobicContact CB-CD1 3.86Å; I149-I220 HydrophobicContact CD1-CD1 4.22Å; I149-I220 HydrophobicContact CG2-CD1 3.79Å; I149-I220 HydrophobicContact CG2-CG1 3.95Å; I149-I220 HydrophobicContact CG2-CG2 4.12Å; I149-I224 HydrophobicContact CG2-CD1 4.22Å; I149-L225 HydrophobicContact CD1-CD2 4.34Å
150R98.5Very high96.8Very high51 Ų5131.4 Ų31.419%0.19217%0.165CC..Hα-helixtrans-60.7-36.2-179.1-172.463.8-131.3-174.4-18.3112.9A146 L147 E154 F218 D219A146-R150 WeakPolarHBondContact O-CB 3.39Å; A146-R150 PolarHBondContact O-N 3.24Å; L147-R150 PolarHBondContact O-N 2.6Å; R150-E154 IonicContact CZ-OE1 3.55Å; R150-E154 VanDerWaalsContact CZ-OE1 3.24Å; R150-E154 IonicContact NE-OE1 3.53Å; R150-E154 PolarHBondContact NE-OE1 2.93Å; R150-E154 IonicContact NH2-OE1 2.73Å; R150-E154 PolarHBondContact NH2-OE1 3.06Å; R150-E154 WeakPolarHBondContact O-CG 3.4Å; R150-E154 PolarHBondContact O-N 3.18Å; R150-F218 WeakPolarHBondContact CD-O 3.32Å; R150-D219 WeakPolarHBondContact CD-O 3.43Å; R150-D219 IonicContact CZ-OD2 2.69Å; R150-D219 VanDerWaalsContact CZ-OD2 3.29Å; R150-D219 PolarHBondContact NH1-O 2.77Å; R150-D219 IonicContact NH1-OD2 3.24Å; R150-D219 PolarHBondContact NH1-OD2 3.01Å; R150-D219 IonicContact NH2-OD2 3.09Å; R150-D219 PolarHBondContact NH2-OD2 3.33Å
151W98.5Very high96.9Very high32 Ų3234.5 Ų34.512%0.12118%0.179CC..Hα-helixtrans-63.5-46.5172.3-172.893.8000111.9W51 Y103 I106 R112 T113 L147 K148 I149 L153 E154 N155 V156W51-W151 HydrophobicContact CH2-CH2 4.48Å; W51-W151 AromaticContact CH2-CZ2 3.7Å; W51-W151 HydrophobicContact CH2-CZ2 3.7Å; W51-W151 HydrophobicContact CZ3-CH2 4.17Å; W51-W151 AromaticContact CZ3-CZ2 3.83Å; W51-W151 HydrophobicContact CZ3-CZ2 3.83Å; Y103-W151 HydrophobicContact CD1-CZ3 4.41Å; Y103-W151 HydrophobicContact CE1-CH2 4.37Å; Y103-W151 HydrophobicContact CE1-CZ3 4.04Å; I106-W151 HydrophobicContact CD1-CD2 4.47Å; I106-W151 HydrophobicContact CD1-CE3 3.61Å; I106-W151 HydrophobicContact CD1-CZ3 3.99Å; R112-W151 VanDerWaalsContact CD-CD2 3.46Å; R112-W151 VanDerWaalsContact CD-CE2 3.47Å; R112-W151 HydrophobicContact CG-CD2 4.22Å; R112-W151 HydrophobicContact CG-CG 4.15Å; T113-W151 HydrophobicContact CG2-CB 3.98Å; T113-W151 HydrophobicContact CG2-CG 4.42Å; L147-W151 WeakPolarHBondContact O-CB 3.22Å; L147-W151 PolarHBondContact O-N 2.86Å; K148-W151 PolarHBondContact O-N 3.42Å; I149-W151 VanDerWaalsContact C-N 3.28Å; I149-W151 PolarHBondContact O-N 2.86Å; W151-L153 PolarHBondContact O-N 3.15Å; W151-E154 PolarHBondContact O-N 2.86Å; W151-N155 HydrophobicContact CD2-CB 4.07Å; W151-N155 HydrophobicContact CE3-CB 4.27Å; W151-N155 HydrophobicContact CH2-CB 3.99Å; W151-N155 HydrophobicContact CZ2-CB 3.77Å; W151-N155 HydrophobicContact CZ3-CB 4.24Å; W151-N155 WeakPolarHBondContact O-CB 3.49Å; W151-N155 PolarHBondContact O-N 3.35Å; W151-N155 PolarHBondContact O-ND2 2.99Å; W151-V156 HydrophobicContact CZ3-CG2 4.06Å
152L98.6Very high97.3Very high2 Ų232.2 Ų32.21%0.0117%0.169CC..Hα-helixtrans-62.4-40.9178.4-70.4165.2000112.4I91 L93 Y103 I106 K148 I149 E154 V156I91-L152 HydrophobicContact CG2-CD1 3.87Å; L93-L152 HydrophobicContact CB-CD1 4.46Å; L93-L152 HydrophobicContact CD1-CD1 3.84Å; L93-L152 HydrophobicContact CD2-CB 4.01Å; Y103-L152 HydrophobicContact CD1-CD2 3.72Å; Y103-L152 HydrophobicContact CG-CD2 4.03Å; I106-L152 HydrophobicContact CD1-CD1 3.97Å; I106-L152 HydrophobicContact CD1-CD2 3.64Å; I106-L152 HydrophobicContact CD1-CG 3.63Å; I106-L152 HydrophobicContact CG1-CD1 4.39Å; I106-L152 HydrophobicContact CG1-CD2 4.23Å; I106-L152 HydrophobicContact CG1-CG 4.46Å; K148-L152 WeakPolarHBondContact O-CG 3.33Å; K148-L152 PolarHBondContact O-N 2.74Å; I149-L152 WeakPolarHBondContact O-CB 3.31Å; I149-L152 PolarHBondContact O-N 3.01Å; L152-E154 PolarHBondContact O-N 2.68Å; L152-V156 HydrophobicContact CD2-CG2 3.59Å; L152-V156 WeakPolarHBondContact O-CB 3.4Å; L152-V156 PolarHBondContact O-N 3.12Å
153L98.2Very high97.6Very high17 Ų1733.1 Ų33.19%0.08917%0.174CC..Hα-helixtrans-57.8-32177.1-71177000113.4L93 I149 W151 V159 V163 I220 I224L93-L153 HydrophobicContact CD2-CD2 4.14Å; I149-L153 HydrophobicContact CG2-CD1 4.02Å; I149-L153 HydrophobicContact CG2-CG 4.21Å; I149-L153 WeakPolarHBondContact O-CG 3.31Å; I149-L153 PolarHBondContact O-N 2.7Å; W151-L153 PolarHBondContact O-N 3.15Å; L153-V159 HydrophobicContact CD2-CG1 3.83Å; L153-V163 HydrophobicContact CD2-CG2 3.66Å; L153-I220 HydrophobicContact CD1-CG1 4.39Å; L153-I224 HydrophobicContact CD2-CD1 4.27Å
154E97.5Very high98Very high85 Ų8540.4 Ų40.440%0.39720%0.201SC..Hα-helixtrans-98.6-35-174.7-69.5170.4172.200114.1R116 R150 W151 L152R116-E154 IonicContact CZ-OE1 3.36Å; R116-E154 IonicContact CZ-OE2 3.49Å; R116-E154 IonicContact NH1-OE1 3.64Å; R116-E154 IonicContact NH1-OE2 2.71Å; R116-E154 PolarHBondContact NH1-OE2 3.46Å; R116-E154 VanDerWaalsContact NH2-CD 3.35Å; R116-E154 IonicContact NH2-OE1 2.73Å; R116-E154 PolarHBondContact NH2-OE1 2.76Å; R116-E154 IonicContact NH2-OE2 3.85Å; R116-E154 PolarHBondContact NH2-OE2 3.08Å; R150-E154 IonicContact CZ-OE1 3.55Å; R150-E154 VanDerWaalsContact CZ-OE1 3.24Å; R150-E154 IonicContact NE-OE1 3.53Å; R150-E154 PolarHBondContact NE-OE1 2.93Å; R150-E154 IonicContact NH2-OE1 2.73Å; R150-E154 PolarHBondContact NH2-OE1 3.06Å; R150-E154 WeakPolarHBondContact O-CG 3.4Å; R150-E154 PolarHBondContact O-N 3.18Å; W151-E154 PolarHBondContact O-N 2.86Å; L152-E154 PolarHBondContact O-N 2.68Å
155N98Very high98Very high91 Ų9144.9 Ų44.949%0.48722%0.222SC..Hα-helixtrans-105.2-15.7-166.2-65.2-93.4000113.4W151W151-N155 HydrophobicContact CD2-CB 4.07Å; W151-N155 HydrophobicContact CE3-CB 4.27Å; W151-N155 HydrophobicContact CH2-CB 3.99Å; W151-N155 HydrophobicContact CZ2-CB 3.77Å; W151-N155 HydrophobicContact CZ3-CB 4.24Å; W151-N155 WeakPolarHBondContact O-CB 3.49Å; W151-N155 PolarHBondContact O-N 3.35Å; W151-N155 PolarHBondContact O-ND2 2.99Å
156V98.2Very high98Very high16 Ų1650.6 Ų50.610%0.09725%0.249CC..SBendtrans-100.5119.3-178.2-179.10000110.8F102 Y103 W151 L152 G158 V159F102-V156 HydrophobicContact CB-CG1 4.03Å; F102-V156 WeakPolarHBondContact O-CG1 3.34Å; Y103-V156 HydrophobicContact CD1-CG2 4.4Å; Y103-V156 HydrophobicContact CD2-CG1 4.29Å; Y103-V156 HydrophobicContact CD2-CG2 3.83Å; Y103-V156 HydrophobicContact CG-CG1 4.47Å; Y103-V156 HydrophobicContact CG-CG2 3.78Å; W151-V156 HydrophobicContact CZ3-CG2 4.06Å; L152-V156 HydrophobicContact CD2-CG2 3.59Å; L152-V156 WeakPolarHBondContact O-CB 3.4Å; L152-V156 PolarHBondContact O-N 3.12Å; V156-G158 PolarHBondContact O-N 2.85Å; V156-V159 HydrophobicContact CB-CG2 3.69Å; V156-V159 HydrophobicContact CG1-CG2 3.63Å; V156-V159 PolarHBondContact O-N 3.5Å
157H97.1Very high97.9Very high184 Ų18452.5 Ų52.585%0.85226%0.256SS*.THydrogen-bonded Turntrans-55.1133.6178.2179.8-88.3000112V159H157-V159 VanDerWaalsContact C-N 3.3Å; H157-V159 PolarHBondContact O-N 3.02Å
158G96.6Very high98Very high30 Ų3052.4 Ų52.431%0.30926%0.256SS..THydrogen-bonded Turntrans85.4-18.9178.600000115.6V156 E161 A162V156-G158 PolarHBondContact O-N 2.85Å; G158-E161 PolarHBondContact O-N 3.21Å; G158-A162 PolarHBondContact O-N 3.32Å
159V98.1Very high98Very high1 Ų153.2 Ų53.21%0.00626%0.26CS..Hα-helixtrans-62.9-50.5179.7174.40000111.3L93 F102 L153 V156 H157 E161 A162 V163L93-V159 HydrophobicContact CD2-CG1 3.75Å; F102-V159 HydrophobicContact CB-CG2 3.5Å; F102-V159 HydrophobicContact CD1-CG2 4.2Å; F102-V159 HydrophobicContact CD2-CG2 3.87Å; F102-V159 HydrophobicContact CG-CG2 3.61Å; L153-V159 HydrophobicContact CD2-CG1 3.83Å; V156-V159 HydrophobicContact CB-CG2 3.69Å; V156-V159 HydrophobicContact CG1-CG2 3.63Å; V156-V159 PolarHBondContact O-N 3.5Å; H157-V159 VanDerWaalsContact C-N 3.3Å; H157-V159 PolarHBondContact O-N 3.02Å; V159-E161 PolarHBondContact O-N 3.43Å; V159-A162 PolarHBondContact O-N 2.94Å; V159-A162 VanDerWaalsContact O-N 3.11Å; V159-V163 HydrophobicContact CG1-CG2 4.29Å; V159-V163 WeakPolarHBondContact O-CG2 3.13Å; V159-V163 PolarHBondContact O-N 2.89Å
160A96.4Very high98Very high59 Ų5953.1 Ų53.149%0.48826%0.259SS..Hα-helixtrans-56.3-38178.800000112.4V163 R164A160-V163 PolarHBondContact O-N 2.9Å; A160-R164 WeakPolarHBondContact O-CG 3.15Å; A160-R164 PolarHBondContact O-N 3.44Å
161E97.7Very high98Very high71 Ų7150.8 Ų50.833%0.33225%0.251SS..Hα-helixtrans-66.6-48.5175.6-17058.7-148.700111.9G158 V159 V163 R164 Q165G158-E161 PolarHBondContact O-N 3.21Å; V159-E161 PolarHBondContact O-N 3.43Å; E161-V163 PolarHBondContact O-N 2.97Å; E161-R164 PolarHBondContact O-N 3.22Å; E161-R164 VanDerWaalsContact O-N 3.12Å; E161-R164 IonicContact OE1-CZ 3.64Å; E161-R164 IonicContact OE1-NH2 3.01Å; E161-R164 PolarHBondContact OE1-NH2 3.01Å; E161-R164 IonicContact OE2-CZ 3.35Å; E161-R164 IonicContact OE2-NE 3.38Å; E161-R164 PolarHBondContact OE2-NE 3.21Å; E161-R164 IonicContact OE2-NH2 2.64Å; E161-R164 PolarHBondContact OE2-NH2 3.36Å; E161-Q165 WeakPolarHBondContact O-CG 3.22Å; E161-Q165 PolarHBondContact O-N 2.76Å; E161-Q165 PolarHBondContact OE1-NE2 3.01Å
162A98.3Very high98Very high0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-62.5-29.7178.300000112.6F102 G158 V159 E166 R167 C168F102-A162 HydrophobicContact CE1-CB 3.89Å; F102-A162 HydrophobicContact CE2-CB 4.07Å; F102-A162 HydrophobicContact CZ-CB 3.3Å; G158-A162 PolarHBondContact O-N 3.32Å; V159-A162 PolarHBondContact O-N 2.94Å; V159-A162 VanDerWaalsContact O-N 3.11Å; A162-E166 CarbonylContact O-C 3.57Å; A162-E166 PolarHBondContact O-N 2.83Å; A162-R167 HydrophobicContact CB-CB 4.39Å; A162-R167 PolarHBondContact O-N 3.04Å; A162-C168 HydrophobicContact CB-CB 3.91Å; A162-C168 PolarHBondContact O-N 2.85Å
163V98.4Very high98Very high22 Ų2249.3 Ų49.313%0.13325%0.246CC..Hα-helixtrans-67.9-45.6172.3171.90000111.5L153 V159 A160 E161 Q165 E166 C168 P221 H223 I224L153-V163 HydrophobicContact CD2-CG2 3.66Å; V159-V163 HydrophobicContact CG1-CG2 4.29Å; V159-V163 WeakPolarHBondContact O-CG2 3.13Å; V159-V163 PolarHBondContact O-N 2.89Å; A160-V163 PolarHBondContact O-N 2.9Å; E161-V163 PolarHBondContact O-N 2.97Å; V163-Q165 VanDerWaalsContact C-N 3.25Å; V163-Q165 PolarHBondContact O-N 2.86Å; V163-E166 PolarHBondContact O-N 3.08Å; V163-E166 VanDerWaalsContact O-N 3.1Å; V163-C168 HydrophobicContact CB-CB 4.46Å; V163-C168 HydrophobicContact CG2-CB 3.62Å; V163-P221 HydrophobicContact CG1-CG 3.84Å; V163-H223 PolarHBondContact O-NE2 3.5Å; V163-H223 VanDerWaalsContact O-NE2 3.09Å; V163-I224 HydrophobicContact CG1-CG2 4.48Å; V163-I224 HydrophobicContact CG2-CG2 4.23Å
164R97.7Very high98.1Very high184 Ų18448.5 Ų48.569%0.69424%0.242SC*.Hα-helixtrans-64.2-30.3176.5-65.8-168.8-46.2113.8-10.7112.9A160 E161 E166A160-R164 WeakPolarHBondContact O-CG 3.15Å; A160-R164 PolarHBondContact O-N 3.44Å; E161-R164 PolarHBondContact O-N 3.22Å; E161-R164 VanDerWaalsContact O-N 3.12Å; E161-R164 IonicContact OE1-CZ 3.64Å; E161-R164 IonicContact OE1-NH2 3.01Å; E161-R164 PolarHBondContact OE1-NH2 3.01Å; E161-R164 IonicContact OE2-CZ 3.35Å; E161-R164 IonicContact OE2-NE 3.38Å; E161-R164 PolarHBondContact OE2-NE 3.21Å; E161-R164 IonicContact OE2-NH2 2.64Å; E161-R164 PolarHBondContact OE2-NH2 3.36Å; R164-E166 VanDerWaalsContact C-N 3.32Å
165Q97.9Very high98.1Very high95 Ų9544.5 Ų44.544%0.44422%0.223SC..THydrogen-bonded Turntrans-895.4176.5-62.9177.7-3.200112.9E161 V163 R167E161-Q165 WeakPolarHBondContact O-CG 3.22Å; E161-Q165 PolarHBondContact O-N 2.76Å; E161-Q165 PolarHBondContact OE1-NE2 3.01Å; V163-Q165 VanDerWaalsContact C-N 3.25Å; V163-Q165 PolarHBondContact O-N 2.86Å; Q165-R167 HydrophobicContact CB-CG 4.09Å; Q165-R167 WeakPolarHBondContact O-CG 3.45Å; Q165-R167 PolarHBondContact O-N 2.99Å; Q165-R167 VanDerWaalsContact O-N 3.09Å; Q165-R167 VanDerWaalsContact OE1-CZ 3.25Å
166E97.5Very high98.2Very high121 Ų12140.1 Ų40.157%0.56520%0.2SC*.THydrogen-bonded Turntrans55.320.5-175.5-55.6-172.1-18000115.2K96 A162 V163 R164K96-E166 VanDerWaalsContact CE-O 3.24Å; K96-E166 WeakPolarHBondContact CE-O 2.91Å; K96-E166 PolarHBondContact NZ-O 3.42Å; A162-E166 CarbonylContact O-C 3.57Å; A162-E166 PolarHBondContact O-N 2.83Å; V163-E166 PolarHBondContact O-N 3.08Å; V163-E166 VanDerWaalsContact O-N 3.1Å; R164-E166 VanDerWaalsContact C-N 3.32Å
167R97.9Very high98.2Very high39 Ų3939.4 Ų39.415%0.14720%0.195CC..  trans-90.4-21.5178.9-59.2-173.7-61.896-1.7113.6D95 K96 E97 A162 Q165D95-R167 IonicContact OD1-NH1 3.93Å; D95-R167 PolarHBondContact OD1-NH1 3.22Å; D95-R167 VanDerWaalsContact OD1-NH1 3.09Å; D95-R167 IonicContact OD2-CZ 2.83Å; D95-R167 IonicContact OD2-NH1 2.8Å; D95-R167 PolarHBondContact OD2-NH1 2.69Å; K96-R167 WeakPolarHBondContact CG-O 3.07Å; K96-R167 PolarHBondContact N-O 2.69Å; E97-R167 HydrophobicContact CG-CG 4.29Å; E97-R167 WeakPolarHBondContact OE1-CD 3.46Å; E97-R167 WeakPolarHBondContact OE1-CG 3.26Å; E97-R167 WeakPolarHBondContact OE2-CD 3.33Å; A162-R167 HydrophobicContact CB-CB 4.39Å; A162-R167 PolarHBondContact O-N 3.04Å; Q165-R167 HydrophobicContact CB-CG 4.09Å; Q165-R167 WeakPolarHBondContact O-CG 3.45Å; Q165-R167 PolarHBondContact O-N 2.99Å; Q165-R167 VanDerWaalsContact O-N 3.09Å; Q165-R167 VanDerWaalsContact OE1-CZ 3.25Å
168C98.7Very high98.3Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-73.8129.3177.2-172.90000111.2F102 A162 V163 I224F102-C168 HydrophobicContact CE2-CB 4.07Å; A162-C168 HydrophobicContact CB-CB 3.91Å; A162-C168 PolarHBondContact O-N 2.85Å; V163-C168 HydrophobicContact CB-CB 4.46Å; V163-C168 HydrophobicContact CG2-CB 3.62Å; C168-I224 HydrophobicContact CB-CG2 4.34Å; C168-I224 WeakPolarHBondContact O-CG2 3.38Å
169L98.8Very high98.4Very high16 Ų1629.6 Ų29.68%0.08414%0.141CC..EExtended strand (participates in β ladder)trans-113.2150.9163.4-56.9179.7000109L93 W94 K96 H190L93-L169 CarbonylContact C-O 3.56Å; L93-L169 VanDerWaalsContact CA-O 3.29Å; L93-L169 WeakPolarHBondContact CA-O 3.21Å; W94-L169 HydrophobicContact CD2-CB 4.02Å; W94-L169 HydrophobicContact CH2-CB 4.29Å; W94-L169 HydrophobicContact CZ2-CB 3.76Å; W94-L169 HydrophobicContact CZ2-CD1 4.04Å; W94-L169 PolarHBondContact N-O 2.84Å; W94-L169 PolarHBondContact O-N 3.19Å; K96-L169 HydrophobicContact CB-CD1 3.68Å; K96-L169 HydrophobicContact CB-CG 3.89Å; L169-H190 HydrophobicContact CD1-CB 4.28Å
170A98.9Very high98.4Very high0 Ų030.3 Ų30.30%015%0.145CC..EExtended strand (participates in β ladder)trans-124.4153.7173.300000108.9V92 L93 H190 I224 L225 P226V92-A170 WeakPolarHBondContact O-CA 3.37Å; L93-A170 HydrophobicContact CD1-CB 3.45Å; L93-A170 VanDerWaalsContact CD1-CB 3.45Å; L93-A170 HydrophobicContact CG-CB 3.81Å; A170-H190 PolarHBondContact O-NE2 3.26Å; A170-I224 HydrophobicContact CB-CB 4.43Å; A170-I224 HydrophobicContact CB-CD1 3.94Å; A170-I224 HydrophobicContact CB-CG1 3.97Å; A170-I224 PolarHBondContact N-O 2.92Å; A170-L225 HydrophobicContact CB-CD2 4.41Å; A170-P226 WeakPolarHBondContact O-CD 3.33Å
171G98.9Very high98.5Very high2 Ų227.5 Ų27.52%0.02112%0.122CC..EExtended strand (participates in β ladder)trans-177153.1176.800000112.8I91 V92I91-G171 VanDerWaalsContact CD1-O 3.27Å; I91-G171 WeakPolarHBondContact CD1-O 3.45Å; V92-G171 PolarHBondContact N-O 2.75Å; V92-G171 PolarHBondContact O-N 3.2Å
172T98.9Very high98.6Very high3 Ų324.2 Ų24.22%0.01811%0.106CC..EExtended strand (participates in β ladder)trans-67.8170.6163.338.20000110.2T90 I91 D174 S175 W176T90-T172 WeakPolarHBondContact O-CA 3.35Å; I91-T172 HydrophobicContact CD1-CG2 4.5Å; T172-D174 VanDerWaalsContact C-N 3.29Å; T172-D174 WeakPolarHBondContact CB-OD1 3.19Å; T172-D174 PolarHBondContact O-N 3.27Å; T172-D174 PolarHBondContact OG1-OD1 2.72Å; T172-S175 WeakPolarHBondContact O-CB 3.45Å; T172-S175 PolarHBondContact O-N 2.69Å; T172-W176 PolarHBondContact O-N 3.36Å; T172-W176 VanDerWaalsContact O-N 3.09Å
173I98.9Very high98.6Very high0 Ų024.6 Ų24.60%011%0.11CC..Hα-helixtrans-61.9-33.5-170.3-66.1-64.5000113.5Q17 I59 N86 Q87 T90 V92 A105 S175 W176 L177Q17-I173 HydrophobicContact CB-CG2 4.01Å; Q17-I173 HydrophobicContact CG-CG2 3.66Å; I59-I173 HydrophobicContact CD1-CD1 3.66Å; I59-I173 HydrophobicContact CG2-CG2 4.34Å; N86-I173 HydrophobicContact CB-CB 3.94Å; N86-I173 HydrophobicContact CB-CG2 3.85Å; Q87-I173 HydrophobicContact CG-CG1 4.22Å; T90-I173 HydrophobicContact CG2-CD1 3.83Å; T90-I173 HydrophobicContact CG2-CG1 3.72Å; V92-I173 HydrophobicContact CG2-CD1 3.9Å; A105-I173 HydrophobicContact CB-CD1 4.34Å; I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 2.85Å; I173-W176 PolarHBondContact O-N 2.87Å; I173-L177 HydrophobicContact CG2-CD1 4.06Å; I173-L177 HydrophobicContact CG2-CG 4.33Å; I173-L177 WeakPolarHBondContact O-CB 3.43Å; I173-L177 WeakPolarHBondContact O-CG 3.43Å; I173-L177 PolarHBondContact O-N 3.39Å
174D98.9Very high98.5Very high0 Ų023.7 Ų23.70%011%0.105CC..Hα-helixtrans-52.6-51.4167.856.5-45.1000111.8I84 N86 T172 W176 L177 I178 T192 C252I84-D174 HydrophobicContact CG2-CB 4.32Å; N86-D174 WeakPolarHBondContact OD1-CB 3.47Å; T172-D174 VanDerWaalsContact C-N 3.29Å; T172-D174 WeakPolarHBondContact CB-OD1 3.19Å; T172-D174 PolarHBondContact O-N 3.27Å; T172-D174 PolarHBondContact OG1-OD1 2.72Å; D174-W176 PolarHBondContact O-N 3.3Å; D174-L177 PolarHBondContact O-N 3.19Å; D174-I178 HydrophobicContact CB-CD1 4.33Å; D174-I178 WeakPolarHBondContact O-CB 3.42Å; D174-I178 WeakPolarHBondContact O-CD1 3.34Å; D174-I178 WeakPolarHBondContact O-CG1 3.42Å; D174-I178 PolarHBondContact O-N 2.94Å; D174-T192 VanDerWaalsContact OD2-CA 3.25Å; D174-T192 WeakPolarHBondContact OD2-CA 3.39Å; D174-T192 VanDerWaalsContact OD2-CB 3.28Å; D174-T192 WeakPolarHBondContact OD2-CB 3.49Å; D174-T192 PolarHBondContact OD2-OG1 2.92Å; D174-C252 WeakPolarHBondContact CB-SG 3.39Å
175S98.9Very high98.6Very high0 Ų017.9 Ų17.90%09%0.092CC..Hα-helixtrans-64.8-41-176.9-162.80000112.2T172 I173 L177 W179 A191 P226T172-S175 WeakPolarHBondContact O-CB 3.45Å; T172-S175 PolarHBondContact O-N 2.69Å; I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 2.85Å; S175-L177 PolarHBondContact O-N 2.8Å; S175-W179 WeakPolarHBondContact O-CB 3.29Å; S175-W179 PolarHBondContact O-N 3.01Å; S175-A191 WeakPolarHBondContact CA-O 3.33Å; S175-A191 WeakPolarHBondContact CB-O 3.49Å; S175-A191 PolarHBondContact OG-O 3.41Å; S175-P226 WeakPolarHBondContact OG-CB 3.43Å
176W98.9Very high98.5Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-59.8-44.4172.9172.5-114.3000112.2A56 H57 V92 W94 T172 I173 D174 W179 N180A56-W176 HydrophobicContact CB-CZ2 4.06Å; A56-W176 PolarHBondContact O-NE1 3.22Å; H57-W176 AromaticContact CE1-CZ2 3.97Å; H57-W176 AromaticContact NE2-CH2 3.74Å; V92-W176 HydrophobicContact CG1-CD2 4.21Å; V92-W176 HydrophobicContact CG1-CE3 4.12Å; V92-W176 HydrophobicContact CG2-CB 4.32Å; V92-W176 HydrophobicContact CG2-CG 4.23Å; W94-W176 HydrophobicContact CB-CE3 4.28Å; W94-W176 HydrophobicContact CB-CZ3 3.66Å; W94-W176 AromaticContact CD1-CZ3 3.91Å; W94-W176 AromaticContact CD2-CE3 3.64Å; W94-W176 HydrophobicContact CD2-CE3 3.64Å; W94-W176 AromaticContact CD2-CZ3 3.81Å; W94-W176 HydrophobicContact CD2-CZ3 3.81Å; W94-W176 AromaticContact CE3-CE3 3.75Å; W94-W176 HydrophobicContact CE3-CE3 3.75Å; W94-W176 HydrophobicContact CE3-CZ3 4.3Å; W94-W176 AromaticContact CG-CE3 3.9Å; W94-W176 HydrophobicContact CG-CE3 3.9Å; W94-W176 AromaticContact CG-CZ3 3.52Å; W94-W176 HydrophobicContact CG-CZ3 3.52Å; W94-W176 HydrophobicContact CZ3-CB 4.47Å; W94-W176 HydrophobicContact CZ3-CE3 4.27Å; T172-W176 PolarHBondContact O-N 3.36Å; T172-W176 VanDerWaalsContact O-N 3.09Å; I173-W176 PolarHBondContact O-N 2.87Å; D174-W176 PolarHBondContact O-N 3.3Å; W176-W179 HydrophobicContact CZ3-CE3 4.38Å; W176-W179 HydrophobicContact CZ3-CZ3 4.42Å; W176-N180 VanDerWaalsContact CD2-ND2 3.26Å; W176-N180 VanDerWaalsContact CE2-ND2 3.35Å; W176-N180 WeakPolarHBondContact CH2-ND2 3.1Å; W176-N180 WeakPolarHBondContact CZ2-ND2 3.4Å; W176-N180 VanDerWaalsContact CZ3-ND2 3.29Å; W176-N180 WeakPolarHBondContact CZ3-ND2 3.19Å; W176-N180 PolarHBondContact O-N 3.23Å; W176-N180 PolarHBondContact O-ND2 3.34Å
177L98.9Very high98.4Very high0 Ų020.4 Ų20.40%011%0.112CC..Hα-helixtrans-69.2-47.4178.3-71.7176.8000112.1I15 Q17 I59 L60 T63 I84 I173 D174 S175 W179 N180 L181I15-L177 HydrophobicContact CG2-CD1 4.1Å; Q17-L177 HydrophobicContact CB-CD1 4.03Å; Q17-L177 HydrophobicContact CG-CD1 4.11Å; I59-L177 HydrophobicContact CG2-CD2 4.26Å; L60-L177 HydrophobicContact CD1-CD2 4.34Å; T63-L177 HydrophobicContact CG2-CD2 4.12Å; I84-L177 HydrophobicContact CD1-CB 4.41Å; I84-L177 HydrophobicContact CG2-CD1 4.3Å; I173-L177 HydrophobicContact CG2-CD1 4.06Å; I173-L177 HydrophobicContact CG2-CG 4.33Å; I173-L177 WeakPolarHBondContact O-CB 3.43Å; I173-L177 WeakPolarHBondContact O-CG 3.43Å; I173-L177 PolarHBondContact O-N 3.39Å; D174-L177 PolarHBondContact O-N 3.19Å; S175-L177 PolarHBondContact O-N 2.8Å; L177-W179 VanDerWaalsContact C-N 3.34Å; L177-W179 PolarHBondContact O-N 2.56Å; L177-N180 PolarHBondContact O-N 3.07Å; L177-L181 HydrophobicContact CB-CD1 4.43Å; L177-L181 VanDerWaalsContact O-CB 3.26Å; L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 WeakPolarHBondContact O-CD1 3.21Å; L177-L181 WeakPolarHBondContact O-CG 3.44Å; L177-L181 PolarHBondContact O-N 3.1Å
178I98.9Very high98.4Very high0 Ų019 Ų190%011%0.11CC..Hα-helixtrans-56.3-49.7177.5-68.4159.8000109.8I84 D174 N180 L181 T182 Y235 C252I84-I178 HydrophobicContact CD1-CG1 3.67Å; D174-I178 HydrophobicContact CB-CD1 4.33Å; D174-I178 WeakPolarHBondContact O-CB 3.42Å; D174-I178 WeakPolarHBondContact O-CD1 3.34Å; D174-I178 WeakPolarHBondContact O-CG1 3.42Å; D174-I178 PolarHBondContact O-N 2.94Å; I178-N180 PolarHBondContact O-N 2.94Å; I178-L181 PolarHBondContact O-N 3.05Å; I178-T182 HydrophobicContact CG2-CG2 4.38Å; I178-T182 WeakPolarHBondContact O-CB 3.41Å; I178-T182 VanDerWaalsContact O-CG2 3.32Å; I178-T182 WeakPolarHBondContact O-CG2 3.17Å; I178-T182 PolarHBondContact O-N 3.27Å; I178-T182 PolarHBondContact O-OG1 2.95Å; I178-Y235 HydrophobicContact CD1-CD1 3.64Å; I178-Y235 HydrophobicContact CD1-CE1 3.95Å; I178-Y235 HydrophobicContact CD1-CG 4.28Å; I178-Y235 HydrophobicContact CG1-CD1 4.43Å; I178-Y235 HydrophobicContact CG2-CD1 4.29Å; I178-C252 HydrophobicContact CD1-CB 4.46Å
179W98.9Very high98.4Very high9 Ų920.9 Ų20.93%0.03412%0.121CC..Hα-helixtrans-59.9-48.7-177.7-174.880.2000112.1W94 K96 S175 W176 L177 T182 G183 G184 P185 G188 T189W94-W179 AromaticContact CD1-CE3 3.88Å; W94-W179 AromaticContact CD1-CH2 3.81Å; W94-W179 AromaticContact CD1-CZ3 3.66Å; W94-W179 AromaticContact CE2-CD2 3.91Å; W94-W179 HydrophobicContact CZ2-CB 3.96Å; W94-W179 HydrophobicContact CZ2-CD2 4.09Å; W94-W179 HydrophobicContact CZ2-CE3 4.48Å; W94-W179 AromaticContact CZ2-CG 3.83Å; W94-W179 HydrophobicContact CZ2-CG 3.83Å; W94-W179 AromaticContact NE1-CD2 3.27Å; W94-W179 VanDerWaalsContact NE1-CD2 3.27Å; W94-W179 AromaticContact NE1-CE2 3.47Å; W94-W179 AromaticContact NE1-CE3 3.28Å; W94-W179 VanDerWaalsContact NE1-CE3 3.28Å; W94-W179 AromaticContact NE1-CG 3.95Å; W94-W179 AromaticContact NE1-CH2 3.71Å; W94-W179 AromaticContact NE1-CZ2 3.69Å; W94-W179 AromaticContact NE1-CZ3 3.52Å; K96-W179 HydrophobicContact CB-CZ2 4.45Å; S175-W179 WeakPolarHBondContact O-CB 3.29Å; S175-W179 PolarHBondContact O-N 3.01Å; W176-W179 HydrophobicContact CZ3-CE3 4.38Å; W176-W179 HydrophobicContact CZ3-CZ3 4.42Å; L177-W179 VanDerWaalsContact C-N 3.34Å; L177-W179 PolarHBondContact O-N 2.56Å; W179-T182 PolarHBondContact O-OG1 3.19Å; W179-G183 PolarHBondContact O-N 3.25Å; W179-G184 VanDerWaalsContact CZ2-O 3.3Å; W179-G184 WeakPolarHBondContact CZ2-O 3.32Å; W179-G184 WeakPolarHBondContact O-CA 3.42Å; W179-G184 PolarHBondContact O-N 2.68Å; W179-P185 VanDerWaalsContact CH2-CD 3.45Å; W179-P185 HydrophobicContact CH2-CG 3.91Å; W179-G188 VanDerWaalsContact CD1-O 3.27Å; W179-G188 PolarHBondContact NE1-O 2.85Å; W179-T189 VanDerWaalsContact CA-O 3.25Å; W179-T189 WeakPolarHBondContact CA-O 3.48Å; W179-T189 PolarHBondContact N-O 2.63Å
180N98.8Very high98.4Very high15 Ų1521.8 Ų21.88%0.0813%0.125CC..Hα-helixtrans-66-48.8178.1-79.1-79.1000112.4L60 W176 L177 I178 T182 G183L60-N180 HydrophobicContact CD1-CB 3.7Å; L60-N180 HydrophobicContact CD2-CB 3.78Å; L60-N180 WeakPolarHBondContact CD2-OD1 3.1Å; L60-N180 HydrophobicContact CG-CB 4.39Å; W176-N180 VanDerWaalsContact CD2-ND2 3.26Å; W176-N180 VanDerWaalsContact CE2-ND2 3.35Å; W176-N180 WeakPolarHBondContact CH2-ND2 3.1Å; W176-N180 WeakPolarHBondContact CZ2-ND2 3.4Å; W176-N180 VanDerWaalsContact CZ3-ND2 3.29Å; W176-N180 WeakPolarHBondContact CZ3-ND2 3.19Å; W176-N180 PolarHBondContact O-N 3.23Å; W176-N180 PolarHBondContact O-ND2 3.34Å; L177-N180 PolarHBondContact O-N 3.07Å; I178-N180 PolarHBondContact O-N 2.94Å; N180-T182 VanDerWaalsContact C-N 3.26Å; N180-T182 PolarHBondContact O-N 2.92Å; N180-G183 PolarHBondContact O-N 2.82Å; N180-G183 VanDerWaalsContact O-N 3.14Å
181L98.7Very high98.4Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-59.5-37.4-179-72.7167.1000112I15 L64 I67 I84 L177 I178 G183 V238 K239 L240 I249I15-L181 HydrophobicContact CD1-CD1 3.79Å; L64-L181 HydrophobicContact CD2-CD2 3.9Å; I67-L181 HydrophobicContact CD1-CD2 4.41Å; I84-L181 HydrophobicContact CD1-CD1 4.02Å; L177-L181 HydrophobicContact CB-CD1 4.43Å; L177-L181 VanDerWaalsContact O-CB 3.26Å; L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 WeakPolarHBondContact O-CD1 3.21Å; L177-L181 WeakPolarHBondContact O-CG 3.44Å; L177-L181 PolarHBondContact O-N 3.1Å; I178-L181 PolarHBondContact O-N 3.05Å; L181-G183 VanDerWaalsContact C-N 3.32Å; L181-G183 PolarHBondContact O-N 3.45Å; L181-V238 CarbonylContact O-C 3.59Å; L181-V238 WeakPolarHBondContact O-CA 3.3Å; L181-K239 PolarHBondContact O-N 3.13Å; L181-L240 HydrophobicContact CD2-CD1 4.34Å; L181-I249 HydrophobicContact CB-CD1 3.9Å; L181-I249 HydrophobicContact CD1-CD1 4.04Å
182T98.7Very high98.4Very high2 Ų221.7 Ų21.71%0.01212%0.124CC..THydrogen-bonded Turntrans-86.97.3-179.159.80000114.2I178 W179 N180 G188 T189 K239 I249I178-T182 HydrophobicContact CG2-CG2 4.38Å; I178-T182 WeakPolarHBondContact O-CB 3.41Å; I178-T182 VanDerWaalsContact O-CG2 3.32Å; I178-T182 WeakPolarHBondContact O-CG2 3.17Å; I178-T182 PolarHBondContact O-N 3.27Å; I178-T182 PolarHBondContact O-OG1 2.95Å; W179-T182 PolarHBondContact O-OG1 3.19Å; N180-T182 VanDerWaalsContact C-N 3.26Å; N180-T182 PolarHBondContact O-N 2.92Å; T182-G188 WeakPolarHBondContact OG1-CA 3.21Å; T182-T189 PolarHBondContact OG1-N 2.57Å; T182-K239 WeakPolarHBondContact O-CD 3.43Å; T182-K239 WeakPolarHBondContact O-CE 3.48Å; T182-K239 WeakPolarHBondContact O-CG 3.33Å; T182-K239 PolarHBondContact O-NZ 3.22Å; T182-I249 HydrophobicContact CG2-CD1 3.97Å
183G97.9Very high98.4Very high8 Ų821.6 Ų21.68%0.08212%0.123CC..THydrogen-bonded Turntrans132.3-10.8167.700000116.3W179 N180 L181 N186W179-G183 PolarHBondContact O-N 3.25Å; N180-G183 PolarHBondContact O-N 2.82Å; N180-G183 VanDerWaalsContact O-N 3.14Å; L181-G183 VanDerWaalsContact C-N 3.32Å; L181-G183 PolarHBondContact O-N 3.45Å; G183-N186 WeakPolarHBondContact O-CB 3.31Å; G183-N186 PolarHBondContact O-N 3.13Å
184G98.1Very high98.4Very high3 Ų321.7 Ų21.73%0.03112%0.124CC..THydrogen-bonded Turntrans56.4-125.4-179.200000112W179 N186 N187 G188W179-G184 VanDerWaalsContact CZ2-O 3.3Å; W179-G184 WeakPolarHBondContact CZ2-O 3.32Å; W179-G184 WeakPolarHBondContact O-CA 3.42Å; W179-G184 PolarHBondContact O-N 2.68Å; G184-N186 PolarHBondContact O-N 3.2Å; G184-N186 VanDerWaalsContact O-N 3.1Å; G184-N187 PolarHBondContact O-N 3.02Å; G184-G188 PolarHBondContact O-N 2.84Å
185P97.8Very high98.4Very high62 Ų6221.7 Ų21.740%0.40312%0.124SC..THydrogen-bonded Turntrans-55.9-25.7174.9-26.536.5000114.2K96 W179 N187K96-P185 WeakPolarHBondContact O-CA 3.46Å; W179-P185 VanDerWaalsContact CH2-CD 3.45Å; W179-P185 HydrophobicContact CH2-CG 3.91Å; P185-N187 PolarHBondContact O-N 3.24Å
186N97.2Very high98.4Very high131 Ų13121.7 Ų21.770%0.70112%0.124SC*.THydrogen-bonded Turntrans-83.853.4178-54.8-62.1000111.4G183 G184 K239G183-N186 WeakPolarHBondContact O-CB 3.31Å; G183-N186 PolarHBondContact O-N 3.13Å; G184-N186 PolarHBondContact O-N 3.2Å; G184-N186 VanDerWaalsContact O-N 3.1Å; N186-K239 PolarHBondContact O-NZ 2.77Å
187N94.6Very high98.4Very high139 Ų13921.7 Ų21.774%0.74312%0.124SC*.THydrogen-bonded Turntrans56.757.4-179.2-167.130.6000113.4G184 P185 K239G184-N187 PolarHBondContact O-N 3.02Å; P185-N187 PolarHBondContact O-N 3.24Å; N187-K239 PolarHBondContact O-NZ 2.81Å
188G98.3Very high98.4Very high9 Ų921.8 Ų21.89%0.09312%0.124CC..  trans-73.1142.7168.900000112.6W179 T182 G184 H190W179-G188 VanDerWaalsContact CD1-O 3.27Å; W179-G188 PolarHBondContact NE1-O 2.85Å; T182-G188 WeakPolarHBondContact OG1-CA 3.21Å; G184-G188 PolarHBondContact O-N 2.84Å; G188-H190 PolarHBondContact O-N 3.17Å
189T98.7Very high98.4Very high39 Ų3921.8 Ų21.824%0.23912%0.124CC..  trans-67.2120.2177.5-52.50000110.3W179 T182 A191 Y235W179-T189 VanDerWaalsContact CA-O 3.25Å; W179-T189 WeakPolarHBondContact CA-O 3.48Å; W179-T189 PolarHBondContact N-O 2.63Å; T182-T189 PolarHBondContact OG1-N 2.57Å; T189-A191 HydrophobicContact CG2-CB 3.78Å; T189-A191 PolarHBondContact O-N 2.98Å; T189-Y235 WeakPolarHBondContact CB-O 3.27Å; T189-Y235 VanDerWaalsContact CG2-O 3.3Å; T189-Y235 WeakPolarHBondContact CG2-O 3.33Å; T189-Y235 PolarHBondContact OG1-O 3.16Å
190H98.8Very high98.4Very high35 Ų3521.6 Ų21.616%0.16213%0.125CC..  trans-95.986.3172.3-177.4-138.1000110.2W94 L169 A170 G188 I224 P226 E227W94-H190 AromaticContact CH2-CD2 3.72Å; W94-H190 AromaticContact CH2-NE2 3.81Å; W94-H190 AromaticContact CZ2-CD2 3.65Å; L169-H190 HydrophobicContact CD1-CB 4.28Å; A170-H190 PolarHBondContact O-NE2 3.26Å; G188-H190 PolarHBondContact O-N 3.17Å; H190-I224 PolarHBondContact CE1-O 2.87Å; H190-I224 VanDerWaalsContact CE1-O 3.28Å; H190-P226 VanDerWaalsContact CE1-CA 3.43Å; H190-P226 WeakPolarHBondContact CE1-CA 3.38Å; H190-P226 VanDerWaalsContact CE1-N 3.27Å; H190-P226 WeakPolarHBondContact O-CA 3.43Å; H190-E227 PolarHBondContact O-N 3.43Å
191A98.8Very high98.3Very high0 Ų020.9 Ų20.90%012%0.121CC..EExtended strand (participates in β ladder)trans-135.2164.1-177.100000111.8S175 T189 E227 K229 Y235S175-A191 WeakPolarHBondContact CA-O 3.33Å; S175-A191 WeakPolarHBondContact CB-O 3.49Å; S175-A191 PolarHBondContact OG-O 3.41Å; T189-A191 HydrophobicContact CG2-CB 3.78Å; T189-A191 PolarHBondContact O-N 2.98Å; A191-E227 CarbonylContact C-O 3.44Å; A191-E227 VanDerWaalsContact CA-O 3.23Å; A191-E227 WeakPolarHBondContact CA-O 3.26Å; A191-E227 HydrophobicContact CB-CB 4.37Å; A191-K229 HydrophobicContact CB-CD 4.09Å; A191-Y235 HydrophobicContact CB-CD1 3.89Å; A191-Y235 HydrophobicContact CB-CE1 4.1Å
192T98.9Very high98.4Very high1 Ų120.9 Ų20.91%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-145.6160.4173.9-173.20000108.8D174 N196 A197 W210 P226 E227 I228 K229D174-T192 VanDerWaalsContact OD2-CA 3.25Å; D174-T192 WeakPolarHBondContact OD2-CA 3.39Å; D174-T192 VanDerWaalsContact OD2-CB 3.28Å; D174-T192 WeakPolarHBondContact OD2-CB 3.49Å; D174-T192 PolarHBondContact OD2-OG1 2.92Å; T192-N196 WeakPolarHBondContact OG1-CB 3.28Å; T192-A197 HydrophobicContact CG2-CB 3.97Å; T192-W210 HydrophobicContact CG2-CH2 4.34Å; T192-W210 HydrophobicContact CG2-CZ2 4.05Å; T192-P226 HydrophobicContact CG2-CB 4.11Å; T192-P226 HydrophobicContact CG2-CG 3.6Å; T192-E227 PolarHBondContact N-O 2.99Å; T192-I228 HydrophobicContact CG2-CG1 4.08Å; T192-K229 PolarHBondContact O-N 2.8Å
193D98.9Very high98.4Very high0 Ų020.9 Ų20.90%012%0.121CC..EExtended strand (participates in β ladder)trans-90.4159.3173.791-75.2000113.2T195 N196 A197 K229 C231 Y235 C252 L253D193-T195 VanDerWaalsContact CG-OG1 3.25Å; D193-T195 PolarHBondContact O-N 3.31Å; D193-T195 VanDerWaalsContact O-N 3.13Å; D193-T195 PolarHBondContact OD1-OG1 2.79Å; D193-T195 WeakPolarHBondContact OD2-CA 3.4Å; D193-T195 WeakPolarHBondContact OD2-CB 3.21Å; D193-T195 WeakPolarHBondContact OD2-CG2 3.24Å; D193-T195 PolarHBondContact OD2-N 3.47Å; D193-T195 PolarHBondContact OD2-OG1 2.85Å; D193-N196 PolarHBondContact O-N 2.99Å; D193-N196 WeakPolarHBondContact OD1-CB 3.16Å; D193-N196 PolarHBondContact OD1-N 3.4Å; D193-N196 PolarHBondContact OD1-ND2 3.23Å; D193-A197 VanDerWaalsContact O-CB 3.32Å; D193-A197 WeakPolarHBondContact O-CB 3.3Å; D193-A197 PolarHBondContact O-N 2.8Å; D193-K229 CarbonylContact C-O 3.59Å; D193-K229 VanDerWaalsContact CA-O 3.25Å; D193-K229 WeakPolarHBondContact CA-O 3.33Å; D193-C231 PolarHBondContact OD2-SG 3.39Å; D193-Y235 WeakPolarHBondContact CA-OH 3.25Å; D193-Y235 VanDerWaalsContact CB-OH 3.24Å; D193-Y235 WeakPolarHBondContact CB-OH 3.47Å; D193-C252 HydrophobicContact CB-CB 3.9Å; D193-C252 WeakPolarHBondContact CB-O 3.37Å; D193-L253 WeakPolarHBondContact OD1-CA 3.2Å
194V98.9Very high98.4Very high2 Ų221.1 Ų21.11%0.01212%0.12CC..Hα-helixtrans-54.6-29.1177.5-74.20000114.6S198 L208 I228 K229 V300 Q303V194-S198 VanDerWaalsContact O-CB 3.28Å; V194-S198 WeakPolarHBondContact O-CB 3.49Å; V194-S198 PolarHBondContact O-N 2.72Å; V194-L208 HydrophobicContact CB-CD2 4.48Å; V194-L208 HydrophobicContact CG1-CB 4.08Å; V194-L208 HydrophobicContact CG1-CD1 4.06Å; V194-L208 HydrophobicContact CG1-CD2 4.2Å; V194-L208 HydrophobicContact CG1-CG 4.34Å; V194-I228 HydrophobicContact CB-CG2 4.41Å; V194-I228 HydrophobicContact CG1-CG2 3.58Å; V194-K229 WeakPolarHBondContact CG1-O 3.1Å; V194-K229 PolarHBondContact N-O 2.73Å; V194-V300 HydrophobicContact CB-CG1 4.15Å; V194-V300 HydrophobicContact CG2-CG1 3.82Å; V194-Q303 HydrophobicContact CG2-CB 3.73Å
195T98.9Very high98.4Very high0 Ų021.2 Ų21.20%012%0.12CC..Hα-helixtrans-73.5-52177.270.50000110.7D193 S198 R199 L253 G254 Q257 V300 A301D193-T195 VanDerWaalsContact CG-OG1 3.25Å; D193-T195 PolarHBondContact O-N 3.31Å; D193-T195 VanDerWaalsContact O-N 3.13Å; D193-T195 PolarHBondContact OD1-OG1 2.79Å; D193-T195 WeakPolarHBondContact OD2-CA 3.4Å; D193-T195 WeakPolarHBondContact OD2-CB 3.21Å; D193-T195 WeakPolarHBondContact OD2-CG2 3.24Å; D193-T195 PolarHBondContact OD2-N 3.47Å; D193-T195 PolarHBondContact OD2-OG1 2.85Å; T195-S198 WeakPolarHBondContact O-CB 3.27Å; T195-S198 PolarHBondContact O-N 2.68Å; T195-S198 PolarHBondContact O-OG 3.38Å; T195-R199 WeakPolarHBondContact O-CG 3.36Å; T195-L253 WeakPolarHBondContact OG1-CA 3.48Å; T195-G254 PolarHBondContact OG1-N 2.68Å; T195-Q257 HydrophobicContact CG2-CB 3.95Å; T195-Q257 HydrophobicContact CG2-CG 3.74Å; T195-V300 HydrophobicContact CG2-CB 4.39Å; T195-V300 HydrophobicContact CG2-CG1 4.06Å; T195-A301 WeakPolarHBondContact CG2-O 3.5Å
196N98.9Very high98.3Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-59.4-46.1173.4-84.7-66.1000112N86 T192 D193 S198 R199 G254N86-N196 PolarHBondContact ND2-OD1 3.01Å; N86-N196 PolarHBondContact OD1-ND2 2.8Å; N86-N196 PolarHBondContact OD1-OD1 2.61Å; T192-N196 WeakPolarHBondContact OG1-CB 3.28Å; D193-N196 PolarHBondContact O-N 2.99Å; D193-N196 WeakPolarHBondContact OD1-CB 3.16Å; D193-N196 PolarHBondContact OD1-N 3.4Å; D193-N196 PolarHBondContact OD1-ND2 3.23Å; N196-S198 VanDerWaalsContact C-N 3.27Å; N196-S198 PolarHBondContact O-N 2.88Å; N196-R199 WeakPolarHBondContact O-CB 3.28Å; N196-R199 PolarHBondContact O-N 3.31Å; N196-G254 PolarHBondContact ND2-N 3.19Å; N196-G254 VanDerWaalsContact ND2-N 3.19Å
197A98.9Very high98.3Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-57.1-38.4175.800000112.6T192 D193 R199 T200 M203 W210 I228T192-A197 HydrophobicContact CG2-CB 3.97Å; D193-A197 VanDerWaalsContact O-CB 3.32Å; D193-A197 WeakPolarHBondContact O-CB 3.3Å; D193-A197 PolarHBondContact O-N 2.8Å; A197-R199 PolarHBondContact O-N 2.96Å; A197-R199 VanDerWaalsContact O-N 3.13Å; A197-T200 WeakPolarHBondContact O-CB 3.18Å; A197-T200 WeakPolarHBondContact O-CG2 3.4Å; A197-T200 PolarHBondContact O-N 3.13Å; A197-T200 PolarHBondContact O-OG1 2.96Å; A197-M203 HydrophobicContact CB-CB 4.37Å; A197-M203 HydrophobicContact CB-CG 4.42Å; A197-M203 HydrophobicContact CB-SD 3.56Å; A197-M203 VanDerWaalsContact CB-SD 3.56Å; A197-M203 WeakPolarHBondContact O-CB 3.45Å; A197-W210 HydrophobicContact CB-CH2 3.83Å; A197-W210 HydrophobicContact CB-CZ2 4.5Å; A197-W210 HydrophobicContact CB-CZ3 4.25Å; A197-I228 HydrophobicContact CB-CD1 3.8Å; A197-I228 HydrophobicContact CB-CG1 3.87Å; A197-I228 HydrophobicContact CB-CG2 4.03Å
198S98.8Very high98.5Very high2 Ų215.8 Ų15.81%0.0149%0.086CC..Hα-helixtrans-63-16.617680.40000114.3L138 V194 T195 N196 T299 V300L138-S198 WeakPolarHBondContact CD1-O 3.36Å; V194-S198 VanDerWaalsContact O-CB 3.28Å; V194-S198 WeakPolarHBondContact O-CB 3.49Å; V194-S198 PolarHBondContact O-N 2.72Å; T195-S198 WeakPolarHBondContact O-CB 3.27Å; T195-S198 PolarHBondContact O-N 2.68Å; T195-S198 PolarHBondContact O-OG 3.38Å; N196-S198 VanDerWaalsContact C-N 3.27Å; N196-S198 PolarHBondContact O-N 2.88Å; S198-T299 PolarHBondContact OG-OG1 3.42Å; S198-V300 PolarHBondContact OG-N 2.99Å
199R98.5Very high98.5Very high0 Ų022.1 Ų22.10%011%0.111CC..THydrogen-bonded Turntrans-91.2-9.5-178.9-53.3-41.3-61.3-143.1-24.1114.2R88 E89 F144 T195 N196 A197 L201 T299 E315R88-R199 HydrophobicContact CB-CG 4.11Å; R88-R199 HydrophobicContact CG-CG 4.32Å; E89-R199 HydrophobicContact CG-CB 3.95Å; E89-R199 WeakPolarHBondContact OE1-CB 3.48Å; E89-R199 IonicContact OE1-CZ 3.77Å; E89-R199 IonicContact OE1-NE 2.75Å; E89-R199 PolarHBondContact OE1-NE 3.17Å; E89-R199 IonicContact OE1-NH2 3.96Å; E89-R199 PolarHBondContact OE1-NH2 3.29Å; F144-R199 WeakPolarHBondContact CD1-O 3.45Å; T195-R199 WeakPolarHBondContact O-CG 3.36Å; N196-R199 WeakPolarHBondContact O-CB 3.28Å; N196-R199 PolarHBondContact O-N 3.31Å; A197-R199 PolarHBondContact O-N 2.96Å; A197-R199 VanDerWaalsContact O-N 3.13Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 3.48Å; R199-T299 WeakPolarHBondContact CD-OG1 3.34Å; R199-T299 VanDerWaalsContact NH1-CB 3.34Å; R199-T299 PolarHBondContact NH1-OG1 3.39Å; R199-E315 IonicContact CZ-OE1 2.61Å; R199-E315 IonicContact CZ-OE2 2.84Å; R199-E315 VanDerWaalsContact NH1-CD 3.32Å; R199-E315 IonicContact NH1-OE1 2.74Å; R199-E315 PolarHBondContact NH1-OE1 2.98Å; R199-E315 IonicContact NH1-OE2 3.19Å; R199-E315 PolarHBondContact NH1-OE2 3.26Å; R199-E315 IonicContact NH2-OE1 3.7Å; R199-E315 PolarHBondContact NH2-OE1 3.15Å; R199-E315 IonicContact NH2-OE2 3.8Å
200T98.8Very high98.5Very high6 Ų622.1 Ų22.14%0.03711%0.106CC..SBendtrans-74.3-18.2-173.759.30000114.6A146 A197 L202 M203 W210A146-T200 WeakPolarHBondContact CB-O 3.27Å; A146-T200 PolarHBondContact N-O 2.99Å; A197-T200 WeakPolarHBondContact O-CB 3.18Å; A197-T200 WeakPolarHBondContact O-CG2 3.4Å; A197-T200 PolarHBondContact O-N 3.13Å; A197-T200 PolarHBondContact O-OG1 2.96Å; T200-L202 PolarHBondContact O-N 3.09Å; T200-L202 PolarHBondContact OG1-N 3.24Å; T200-M203 PolarHBondContact OG1-N 3.42Å; T200-W210 HydrophobicContact CG2-CH2 4Å; T200-W210 HydrophobicContact CG2-CZ3 4Å; T200-W210 WeakPolarHBondContact OG1-CZ3 3.49Å
201L98.4Very high98.5Very high0 Ų021.2 Ų21.20%010%0.103CC..SBendtrans65.713-162.9-17955.5000114S136 L138 F144 A146 R199 F218S136-L201 VanDerWaalsContact OG-CD1 3.27Å; S136-L201 WeakPolarHBondContact OG-CD1 3.4Å; L138-L201 HydrophobicContact CB-CD1 4.22Å; L138-L201 HydrophobicContact CD1-CB 4.19Å; F144-L201 HydrophobicContact CB-CB 3.81Å; F144-L201 HydrophobicContact CB-CD2 4.33Å; F144-L201 HydrophobicContact CD2-CD2 4.33Å; F144-L201 HydrophobicContact CG-CB 4.39Å; A146-L201 HydrophobicContact CB-CB 4.08Å; A146-L201 HydrophobicContact CB-CD2 4.5Å; A146-L201 HydrophobicContact CB-CG 4.35Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 3.48Å; L201-F218 HydrophobicContact CD1-CE2 4.21Å; L201-F218 HydrophobicContact CD1-CZ 4.22Å; L201-F218 HydrophobicContact CD2-CE1 4.17Å; L201-F218 HydrophobicContact CD2-CE2 4.05Å; L201-F218 HydrophobicContact CD2-CZ 3.56Å; L201-F218 HydrophobicContact CG-CE2 3.64Å; L201-F218 HydrophobicContact CG-CZ 3.68Å
202L98.9Very high98.5Very high0 Ų027 Ų270%013%0.134CC..  trans-116.7-20.5-179.4-55.6177.9000115A146 I149 T200 W210 D211 L215 F218 I220 L225A146-L202 HydrophobicContact CB-CD2 3.67Å; A146-L202 HydrophobicContact CB-CG 3.99Å; I149-L202 HydrophobicContact CD1-CD1 3.89Å; T200-L202 PolarHBondContact O-N 3.09Å; T200-L202 PolarHBondContact OG1-N 3.24Å; L202-W210 HydrophobicContact CB-CE3 3.83Å; L202-W210 HydrophobicContact CB-CZ3 4.02Å; L202-D211 PolarHBondContact O-N 3.04Å; L202-L215 HydrophobicContact CB-CD2 4.34Å; L202-L215 HydrophobicContact CD1-CD2 4.27Å; L202-L215 HydrophobicContact CD2-CD2 4.33Å; L202-F218 HydrophobicContact CD2-CB 4.44Å; L202-F218 HydrophobicContact CD2-CD2 3.75Å; L202-F218 HydrophobicContact CD2-CG 4.47Å; L202-I220 HydrophobicContact CD1-CD1 3.72Å; L202-I220 HydrophobicContact CD1-CG2 4.15Å; L202-I220 HydrophobicContact CD2-CD1 3.93Å; L202-I220 HydrophobicContact CG-CD1 4.41Å; L202-L225 HydrophobicContact CD1-CD1 4.1Å; L202-L225 HydrophobicContact CD1-CD2 4.25Å
203M98.8Very high98.5Very high2 Ų229.8 Ų29.81%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-82.4143.4175-166.9-174.581.800111S136 A197 T200 L205 L208 K209 W210 I228 V300S136-M203 WeakPolarHBondContact CA-O 3.49Å; A197-M203 HydrophobicContact CB-CB 4.37Å; A197-M203 HydrophobicContact CB-CG 4.42Å; A197-M203 HydrophobicContact CB-SD 3.56Å; A197-M203 VanDerWaalsContact CB-SD 3.56Å; A197-M203 WeakPolarHBondContact O-CB 3.45Å; T200-M203 PolarHBondContact OG1-N 3.42Å; M203-L205 HydrophobicContact CE-CD2 3.96Å; M203-L208 HydrophobicContact CE-CD2 3.86Å; M203-K209 WeakPolarHBondContact CA-O 3.37Å; M203-K209 WeakPolarHBondContact CG-O 3.48Å; M203-W210 HydrophobicContact CB-CE3 4.26Å; M203-W210 HydrophobicContact CB-CZ3 4.16Å; M203-I228 HydrophobicContact CB-CD1 4.42Å; M203-I228 HydrophobicContact CG-CD1 3.8Å; M203-I228 HydrophobicContact SD-CD1 3.88Å; M203-I228 HydrophobicContact SD-CG2 4.27Å; M203-V300 HydrophobicContact CE-CG2 3.79Å
204N98.6Very high98.5Very high13 Ų1329.8 Ų29.87%0.0715%0.145CC..EExtended strand (participates in β ladder)trans-92.2118.9166.1171.2-10000110.2K135 H206 T207 L208 K209 D211K135-N204 HydrophobicContact CB-CB 4.48Å; K135-N204 PolarHBondContact NZ-ND2 2.83Å; K135-N204 CarbonylContact O-C 3.2Å; K135-N204 WeakPolarHBondContact O-CA 3.49Å; N204-H206 PolarHBondContact O-N 3.3Å; N204-H206 PolarHBondContact OD1-N 2.91Å; N204-T207 WeakPolarHBondContact CB-OG1 3.15Å; N204-T207 PolarHBondContact O-N 2.91Å; N204-T207 PolarHBondContact O-OG1 3.1Å; N204-L208 PolarHBondContact O-N 3.45Å; N204-K209 PolarHBondContact N-O 3.35Å; N204-D211 HydrophobicContact CB-CB 3.74Å; N204-D211 WeakPolarHBondContact CB-OD2 3.49Å; N204-D211 PolarHBondContact ND2-OD2 2.97Å
205L97.9Very high98.5Very high4 Ų430.1 Ų30.12%0.02115%0.146CC..THydrogen-bonded Turntrans-57.8-33.4-176.1-68.9-179.6000113.3K135 S136 M203 L208 T298 V300 Y312K135-L205 PolarHBondContact O-N 2.68Å; S136-L205 WeakPolarHBondContact O-CD1 3.41Å; S136-L205 WeakPolarHBondContact O-CG 3.47Å; M203-L205 HydrophobicContact CE-CD2 3.96Å; L205-L208 WeakPolarHBondContact O-CD2 3.34Å; L205-T298 HydrophobicContact CD1-CG2 3.81Å; L205-V300 HydrophobicContact CD2-CG2 3.89Å; L205-Y312 HydrophobicContact CB-CE1 4.26Å; L205-Y312 PolarHBondContact O-OH 3.29Å
206H96.4Very high98.4Very high116 Ų11634.7 Ų34.754%0.53718%0.179SC..THydrogen-bonded Turntrans-78.9-24.6-177.2-58-73.9000113.4N204N204-H206 PolarHBondContact O-N 3.3Å; N204-H206 PolarHBondContact OD1-N 2.91Å
207T97.4Very high98.4Very high74 Ų7436.4 Ų36.445%0.45419%0.187SC..THydrogen-bonded Turntrans-109.6-11-176.659.10000113.5N204 K209N204-T207 WeakPolarHBondContact CB-OG1 3.15Å; N204-T207 PolarHBondContact O-N 2.91Å; N204-T207 PolarHBondContact O-OG1 3.1Å; T207-K209 WeakPolarHBondContact O-CG 3.46Å; T207-K209 PolarHBondContact O-N 3.35Å
208L98.3Very high98.3Very high28 Ų2836.7 Ų36.715%0.14719%0.189CC..THydrogen-bonded Turntrans51.138.1-174.5-54.3178.6000113V194 M203 N204 L205 V300 P310V194-L208 HydrophobicContact CB-CD2 4.48Å; V194-L208 HydrophobicContact CG1-CB 4.08Å; V194-L208 HydrophobicContact CG1-CD1 4.06Å; V194-L208 HydrophobicContact CG1-CD2 4.2Å; V194-L208 HydrophobicContact CG1-CG 4.34Å; M203-L208 HydrophobicContact CE-CD2 3.86Å; N204-L208 PolarHBondContact O-N 3.45Å; L205-L208 WeakPolarHBondContact O-CD2 3.34Å; L208-V300 HydrophobicContact CD2-CG2 3.88Å; L208-P310 HydrophobicContact CD1-CB 3.98Å; L208-P310 HydrophobicContact CD1-CG 3.88Å
209K98.6Very high98.3Very high143 Ų14341.3 Ų41.362%0.62221%0.213SC*.EExtended strand (participates in β ladder)trans-135.9154.2-176.1-73.5178.6-176.2-1720110.3M203 N204 T207 D211M203-K209 WeakPolarHBondContact CA-O 3.37Å; M203-K209 WeakPolarHBondContact CG-O 3.48Å; N204-K209 PolarHBondContact N-O 3.35Å; T207-K209 WeakPolarHBondContact O-CG 3.46Å; T207-K209 PolarHBondContact O-N 3.35Å; K209-D211 PolarHBondContact O-N 2.98Å
210W98.9Very high98.3Very high38 Ų3841.7 Ų41.714%0.14422%0.215CC..EExtended strand (participates in β ladder)trans-55.5134166.2-55.3125.9000110T192 A197 T200 L202 M203 L215 V222 L225 P226 I228T192-W210 HydrophobicContact CG2-CH2 4.34Å; T192-W210 HydrophobicContact CG2-CZ2 4.05Å; A197-W210 HydrophobicContact CB-CH2 3.83Å; A197-W210 HydrophobicContact CB-CZ2 4.5Å; A197-W210 HydrophobicContact CB-CZ3 4.25Å; T200-W210 HydrophobicContact CG2-CH2 4Å; T200-W210 HydrophobicContact CG2-CZ3 4Å; T200-W210 WeakPolarHBondContact OG1-CZ3 3.49Å; L202-W210 HydrophobicContact CB-CE3 3.83Å; L202-W210 HydrophobicContact CB-CZ3 4.02Å; M203-W210 HydrophobicContact CB-CE3 4.26Å; M203-W210 HydrophobicContact CB-CZ3 4.16Å; W210-L215 HydrophobicContact CB-CD1 4.14Å; W210-V222 HydrophobicContact CB-CG2 4.39Å; W210-L225 HydrophobicContact CD2-CB 4.27Å; W210-L225 HydrophobicContact CD2-CD1 3.83Å; W210-L225 HydrophobicContact CE3-CD1 4.12Å; W210-L225 HydrophobicContact CG-CB 4.49Å; W210-L225 HydrophobicContact CG-CD1 4.03Å; W210-L225 HydrophobicContact CZ2-CB 4.14Å; W210-P226 HydrophobicContact CZ2-CG 4.08Å; W210-P226 PolarHBondContact NE1-O 2.96Å; W210-I228 HydrophobicContact CD2-CD1 3.67Å; W210-I228 HydrophobicContact CD2-CG1 4.26Å; W210-I228 HydrophobicContact CE3-CD1 3.96Å; W210-I228 HydrophobicContact CG-CD1 4.17Å; W210-I228 HydrophobicContact CH2-CD1 4.02Å; W210-I228 HydrophobicContact CH2-CG1 4.14Å; W210-I228 HydrophobicContact CZ2-CD1 3.74Å; W210-I228 HydrophobicContact CZ2-CG1 3.54Å; W210-I228 HydrophobicContact CZ3-CD1 4.12Å
211D98.8Very high98.3Very high16 Ų1643 Ų439%0.08622%0.224CC..  trans-109.4115.6-171.2-163.8-84.1000111.6K135 L202 N204 K209 Y213 L214 L215K135-D211 WeakPolarHBondContact CD-OD1 3.29Å; K135-D211 VanDerWaalsContact CE-OD1 3.31Å; K135-D211 WeakPolarHBondContact CE-OD1 3.49Å; K135-D211 IonicContact NZ-OD1 2.79Å; K135-D211 PolarHBondContact NZ-OD1 3.47Å; K135-D211 IonicContact NZ-OD2 3Å; K135-D211 PolarHBondContact NZ-OD2 2.92Å; L202-D211 PolarHBondContact O-N 3.04Å; N204-D211 HydrophobicContact CB-CB 3.74Å; N204-D211 WeakPolarHBondContact CB-OD2 3.49Å; N204-D211 PolarHBondContact ND2-OD2 2.97Å; K209-D211 PolarHBondContact O-N 2.98Å; D211-Y213 PolarHBondContact O-N 2.98Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.35Å; D211-Y213 PolarHBondContact OD1-N 2.98Å; D211-Y213 VanDerWaalsContact OD1-N 3.17Å; D211-L214 HydrophobicContact CB-CB 4.23Å; D211-L214 HydrophobicContact CB-CD1 3.9Å; D211-L214 HydrophobicContact CB-CG 4.01Å; D211-L214 WeakPolarHBondContact O-CA 3.26Å; D211-L214 PolarHBondContact O-N 3.39Å; D211-L215 WeakPolarHBondContact O-CG 3.5Å; D211-L215 PolarHBondContact O-N 2.9Å
212N98.5Very high98.3Very high122 Ų12246.9 Ų46.965%0.65225%0.247SC*.Hα-helixtrans-52.4-31.9-177.6-65.5-4.4000113.4S216N212-S216 WeakPolarHBondContact O-CB 3.43Å; N212-S216 PolarHBondContact O-N 2.81Å; N212-S216 PolarHBondContact O-OG 2.92Å
213Y98.3Very high98.2Very high59 Ų5950.7 Ų50.723%0.23127%0.265CS..Hα-helixtrans-72.4-35.9176.8175.2-92.5000112.7V128 K131 K135 D211 L217V128-Y213 WeakPolarHBondContact CA-OH 3.37Å; V128-Y213 WeakPolarHBondContact CG1-OH 3.33Å; V128-Y213 PolarHBondContact O-OH 3.27Å; K131-Y213 HydrophobicContact CB-CE1 4.08Å; K131-Y213 HydrophobicContact CD-CD1 4.27Å; K131-Y213 HydrophobicContact CD-CD2 4.37Å; K131-Y213 HydrophobicContact CD-CE1 3.76Å; K131-Y213 HydrophobicContact CD-CE2 3.86Å; K131-Y213 HydrophobicContact CG-CD1 4.21Å; K131-Y213 HydrophobicContact CG-CE1 3.67Å; K135-Y213 HydrophobicContact CD-CD1 3.87Å; D211-Y213 PolarHBondContact O-N 2.98Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.35Å; D211-Y213 PolarHBondContact OD1-N 2.98Å; D211-Y213 VanDerWaalsContact OD1-N 3.17Å; Y213-L217 VanDerWaalsContact O-CB 3.29Å; Y213-L217 WeakPolarHBondContact O-CB 3.33Å; Y213-L217 PolarHBondContact O-N 3.19Å; Y213-L217 VanDerWaalsContact O-N 3.15Å
214L98.6Very high98.2Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-71.6-45174.2-62.2175.4000110.3A132 K135 D211 S216 L217 F218A132-L214 HydrophobicContact CB-CD2 3.9Å; K135-L214 HydrophobicContact CB-CD1 4.01Å; K135-L214 HydrophobicContact CB-CD2 4.34Å; K135-L214 HydrophobicContact CB-CG 4.34Å; K135-L214 HydrophobicContact CD-CG 4.39Å; D211-L214 HydrophobicContact CB-CB 4.23Å; D211-L214 HydrophobicContact CB-CD1 3.9Å; D211-L214 HydrophobicContact CB-CG 4.01Å; D211-L214 WeakPolarHBondContact O-CA 3.26Å; D211-L214 PolarHBondContact O-N 3.39Å; L214-S216 PolarHBondContact O-N 2.84Å; L214-L217 WeakPolarHBondContact O-CB 3.18Å; L214-L217 PolarHBondContact O-N 3.17Å; L214-L217 VanDerWaalsContact O-N 3.08Å; L214-F218 WeakPolarHBondContact O-CD2 3.31Å; L214-F218 PolarHBondContact O-N 2.88Å; L214-F218 VanDerWaalsContact O-N 3.12Å
215L98.8Very high98.2Very high9 Ų950.8 Ų50.85%0.04727%0.266CS..Hα-helixtrans-56.7-46.9176.3-66.1172.9000112.3L202 W210 D211 L217 F218 D219 I220 V222 L225L202-L215 HydrophobicContact CB-CD2 4.34Å; L202-L215 HydrophobicContact CD1-CD2 4.27Å; L202-L215 HydrophobicContact CD2-CD2 4.33Å; W210-L215 HydrophobicContact CB-CD1 4.14Å; D211-L215 WeakPolarHBondContact O-CG 3.5Å; D211-L215 PolarHBondContact O-N 2.9Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-L217 PolarHBondContact O-N 2.71Å; L215-F218 PolarHBondContact O-N 3.32Å; L215-D219 WeakPolarHBondContact O-CA 3.4Å; L215-D219 PolarHBondContact O-N 3.39Å; L215-I220 HydrophobicContact CD2-CB 4.31Å; L215-I220 HydrophobicContact CD2-CG2 4.17Å; L215-I220 PolarHBondContact O-N 2.91Å; L215-V222 HydrophobicContact CD1-CB 3.89Å; L215-V222 HydrophobicContact CD1-CG2 3.89Å; L215-L225 HydrophobicContact CD2-CD1 3.46Å; L215-L225 VanDerWaalsContact CD2-CD1 3.46Å
216S98.2Very high98.3Very high97 Ų9750.9 Ų50.968%0.67827%0.266SS*.Hα-helixtrans-66.8-31.7174.7-60.30000113.4N212 L214N212-S216 WeakPolarHBondContact O-CB 3.43Å; N212-S216 PolarHBondContact O-N 2.81Å; N212-S216 PolarHBondContact O-OG 2.92Å; L214-S216 PolarHBondContact O-N 2.84Å
217L97.9Very high98.4Very high35 Ų3550.9 Ų50.918%0.18327%0.266CS..Hα-helixtrans-69.7-32.8179.8-178.562.6000112.6L124 V128 A132 Y213 L214 L215L124-L217 HydrophobicContact CD1-CD1 3.9Å; L124-L217 HydrophobicContact CD2-CD1 3.88Å; V128-L217 HydrophobicContact CG1-CD1 3.83Å; V128-L217 HydrophobicContact CG1-CD2 4.34Å; A132-L217 HydrophobicContact CB-CD2 3.81Å; Y213-L217 VanDerWaalsContact O-CB 3.29Å; Y213-L217 WeakPolarHBondContact O-CB 3.33Å; Y213-L217 PolarHBondContact O-N 3.19Å; Y213-L217 VanDerWaalsContact O-N 3.15Å; L214-L217 WeakPolarHBondContact O-CB 3.18Å; L214-L217 PolarHBondContact O-N 3.17Å; L214-L217 VanDerWaalsContact O-N 3.08Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-L217 PolarHBondContact O-N 2.71Å
218F98.1Very high98.4Very high7 Ų748.9 Ų48.93%0.03125%0.253CS..THydrogen-bonded Turntrans-103.95.2179.8-58.7-66.9000113.7L120 I140 A146 L147 R150 L201 L202 L214 L215 I220L120-F218 HydrophobicContact CD1-CD1 4.35Å; L120-F218 HydrophobicContact CD1-CE1 4.21Å; I140-F218 HydrophobicContact CD1-CZ 4.47Å; I140-F218 HydrophobicContact CG1-CE1 4.5Å; I140-F218 HydrophobicContact CG1-CZ 4.23Å; I140-F218 HydrophobicContact CG2-CE1 4.39Å; A146-F218 HydrophobicContact CB-CB 4.28Å; A146-F218 HydrophobicContact CB-CD1 4.33Å; A146-F218 HydrophobicContact CB-CD2 3.9Å; A146-F218 HydrophobicContact CB-CE2 4.39Å; A146-F218 HydrophobicContact CB-CG 3.9Å; L147-F218 HydrophobicContact CD2-CD1 3.86Å; L147-F218 HydrophobicContact CD2-CE1 3.99Å; R150-F218 WeakPolarHBondContact CD-O 3.32Å; L201-F218 HydrophobicContact CD1-CE2 4.21Å; L201-F218 HydrophobicContact CD1-CZ 4.22Å; L201-F218 HydrophobicContact CD2-CE1 4.17Å; L201-F218 HydrophobicContact CD2-CE2 4.05Å; L201-F218 HydrophobicContact CD2-CZ 3.56Å; L201-F218 HydrophobicContact CG-CE2 3.64Å; L201-F218 HydrophobicContact CG-CZ 3.68Å; L202-F218 HydrophobicContact CD2-CB 4.44Å; L202-F218 HydrophobicContact CD2-CD2 3.75Å; L202-F218 HydrophobicContact CD2-CG 4.47Å; L214-F218 WeakPolarHBondContact O-CD2 3.31Å; L214-F218 PolarHBondContact O-N 2.88Å; L214-F218 VanDerWaalsContact O-N 3.12Å; L215-F218 PolarHBondContact O-N 3.32Å; F218-I220 HydrophobicContact CB-CD1 3.97Å; F218-I220 HydrophobicContact CB-CG1 4.25Å
219D97.7Very high98.5Very high99 Ų9949 Ų4953%0.52925%0.252SS..THydrogen-bonded Turntrans46.861.2-174.8-168.434.6000112.6R150 L215R150-D219 WeakPolarHBondContact CD-O 3.43Å; R150-D219 IonicContact CZ-OD2 2.69Å; R150-D219 VanDerWaalsContact CZ-OD2 3.29Å; R150-D219 PolarHBondContact NH1-O 2.77Å; R150-D219 IonicContact NH1-OD2 3.24Å; R150-D219 PolarHBondContact NH1-OD2 3.01Å; R150-D219 IonicContact NH2-OD2 3.09Å; R150-D219 PolarHBondContact NH2-OD2 3.33Å; L215-D219 WeakPolarHBondContact O-CA 3.4Å; L215-D219 PolarHBondContact O-N 3.39Å
220I98.6Very high98.5Very high7 Ų742.3 Ų42.34%0.03622%0.223CC..  trans-120.6123.1179.1-65.7172.9000109.6A146 I149 L153 L202 L215 F218 I224 L225A146-I220 HydrophobicContact CB-CD1 4.17Å; A146-I220 WeakPolarHBondContact O-CD1 3.3Å; I149-I220 HydrophobicContact CB-CD1 3.86Å; I149-I220 HydrophobicContact CD1-CD1 4.22Å; I149-I220 HydrophobicContact CG2-CD1 3.79Å; I149-I220 HydrophobicContact CG2-CG1 3.95Å; I149-I220 HydrophobicContact CG2-CG2 4.12Å; L153-I220 HydrophobicContact CD1-CG1 4.39Å; L202-I220 HydrophobicContact CD1-CD1 3.72Å; L202-I220 HydrophobicContact CD1-CG2 4.15Å; L202-I220 HydrophobicContact CD2-CD1 3.93Å; L202-I220 HydrophobicContact CG-CD1 4.41Å; L215-I220 HydrophobicContact CD2-CB 4.31Å; L215-I220 HydrophobicContact CD2-CG2 4.17Å; L215-I220 PolarHBondContact O-N 2.91Å; F218-I220 HydrophobicContact CB-CD1 3.97Å; F218-I220 HydrophobicContact CB-CG1 4.25Å; I220-I224 HydrophobicContact CG2-CD1 4.4Å; I220-L225 HydrophobicContact CG2-CD1 4.35Å; I220-L225 HydrophobicContact CG2-CD2 4.38Å
221P98.1Very high98.4Very high35 Ų3540.5 Ų40.523%0.22722%0.216CC..  trans-71.8143177.330.4-34.8000111.2V163 I224V163-P221 HydrophobicContact CG1-CG 3.84Å; P221-I224 HydrophobicContact CG-CD1 4.05Å; P221-I224 HydrophobicContact CG-CG1 4.23Å; P221-I224 HydrophobicContact CG-CG2 4Å
222V98.2Very high98.4Very high81 Ų8140.2 Ų40.249%0.49122%0.215SC..G310 helixtrans-72.6-30.2-175.970.30000113.3W210 L215 I224 L225W210-V222 HydrophobicContact CB-CG2 4.39Å; L215-V222 HydrophobicContact CD1-CB 3.89Å; L215-V222 HydrophobicContact CD1-CG2 3.89Å; V222-I224 PolarHBondContact O-N 2.83Å; V222-L225 WeakPolarHBondContact O-CB 3.29Å; V222-L225 PolarHBondContact O-N 2.83Å; V222-L225 VanDerWaalsContact O-N 3.09Å
223H97.8Very high98.4Very high79 Ų7936 Ų3637%0.36619%0.192SC..G310 helixtrans-71.5-12.7-172.567.1-81.8000114.7V163V163-H223 PolarHBondContact O-NE2 3.5Å; V163-H223 VanDerWaalsContact O-NE2 3.09Å
224I98.6Very high98.4Very high0 Ų037 Ų370%020%0.201CC..G310 helixtrans-87.2-7.5173.876.8175.5000112.3I149 L153 V163 C168 A170 H190 I220 P221 V222I149-I224 HydrophobicContact CG2-CD1 4.22Å; L153-I224 HydrophobicContact CD2-CD1 4.27Å; V163-I224 HydrophobicContact CG1-CG2 4.48Å; V163-I224 HydrophobicContact CG2-CG2 4.23Å; C168-I224 HydrophobicContact CB-CG2 4.34Å; C168-I224 WeakPolarHBondContact O-CG2 3.38Å; A170-I224 HydrophobicContact CB-CB 4.43Å; A170-I224 HydrophobicContact CB-CD1 3.94Å; A170-I224 HydrophobicContact CB-CG1 3.97Å; A170-I224 PolarHBondContact N-O 2.92Å; H190-I224 PolarHBondContact CE1-O 2.87Å; H190-I224 VanDerWaalsContact CE1-O 3.28Å; I220-I224 HydrophobicContact CG2-CD1 4.4Å; P221-I224 HydrophobicContact CG-CD1 4.05Å; P221-I224 HydrophobicContact CG-CG1 4.23Å; P221-I224 HydrophobicContact CG-CG2 4Å; V222-I224 PolarHBondContact O-N 2.83Å
225L98.9Very high98.4Very high18 Ų1837.1 Ų37.19%0.09420%0.201CC..SBendtrans-96.1144.9-172.6-60.7177.9000112I149 A170 L202 W210 L215 I220 V222I149-L225 HydrophobicContact CD1-CD2 4.34Å; A170-L225 HydrophobicContact CB-CD2 4.41Å; L202-L225 HydrophobicContact CD1-CD1 4.1Å; L202-L225 HydrophobicContact CD1-CD2 4.25Å; W210-L225 HydrophobicContact CD2-CB 4.27Å; W210-L225 HydrophobicContact CD2-CD1 3.83Å; W210-L225 HydrophobicContact CE3-CD1 4.12Å; W210-L225 HydrophobicContact CG-CB 4.49Å; W210-L225 HydrophobicContact CG-CD1 4.03Å; W210-L225 HydrophobicContact CZ2-CB 4.14Å; L215-L225 HydrophobicContact CD2-CD1 3.46Å; L215-L225 VanDerWaalsContact CD2-CD1 3.46Å; I220-L225 HydrophobicContact CG2-CD1 4.35Å; I220-L225 HydrophobicContact CG2-CD2 4.38Å; V222-L225 WeakPolarHBondContact O-CB 3.29Å; V222-L225 PolarHBondContact O-N 2.83Å; V222-L225 VanDerWaalsContact O-N 3.09Å
226P98.8Very high98.4Very high5 Ų537.4 Ų37.43%0.03221%0.206CC..PPolyproline II helixtrans-70.3159.7-175.922.7-27.6000112.9A170 S175 H190 T192 W210 I228A170-P226 WeakPolarHBondContact O-CD 3.33Å; S175-P226 WeakPolarHBondContact OG-CB 3.43Å; H190-P226 VanDerWaalsContact CE1-CA 3.43Å; H190-P226 WeakPolarHBondContact CE1-CA 3.38Å; H190-P226 VanDerWaalsContact CE1-N 3.27Å; H190-P226 WeakPolarHBondContact O-CA 3.43Å; T192-P226 HydrophobicContact CG2-CB 4.11Å; T192-P226 HydrophobicContact CG2-CG 3.6Å; W210-P226 HydrophobicContact CZ2-CG 4.08Å; W210-P226 PolarHBondContact NE1-O 2.96Å; P226-I228 PolarHBondContact O-N 2.83Å
227E98.7Very high98.4Very high116 Ų11636.5 Ų36.554%0.54219%0.194SC..EExtended strand (participates in β ladder)trans-61.4129.8165.2-174.6-178.2-155.100110.1H190 A191 T192 K229H190-E227 PolarHBondContact O-N 3.43Å; A191-E227 CarbonylContact C-O 3.44Å; A191-E227 VanDerWaalsContact CA-O 3.23Å; A191-E227 WeakPolarHBondContact CA-O 3.26Å; A191-E227 HydrophobicContact CB-CB 4.37Å; T192-E227 PolarHBondContact N-O 2.99Å; E227-K229 HydrophobicContact CG-CG 4.38Å; E227-K229 WeakPolarHBondContact OE2-CE 3.26Å; E227-K229 IonicContact OE2-NZ 2.81Å
228I98.8Very high98.4Very high33 Ų3335 Ų3517%0.16919%0.186CC..EExtended strand (participates in β ladder)trans-86.7125175.2-58.8174.6000109.2T192 V194 A197 M203 W210 P226T192-I228 HydrophobicContact CG2-CG1 4.08Å; V194-I228 HydrophobicContact CB-CG2 4.41Å; V194-I228 HydrophobicContact CG1-CG2 3.58Å; A197-I228 HydrophobicContact CB-CD1 3.8Å; A197-I228 HydrophobicContact CB-CG1 3.87Å; A197-I228 HydrophobicContact CB-CG2 4.03Å; M203-I228 HydrophobicContact CB-CD1 4.42Å; M203-I228 HydrophobicContact CG-CD1 3.8Å; M203-I228 HydrophobicContact SD-CD1 3.88Å; M203-I228 HydrophobicContact SD-CG2 4.27Å; W210-I228 HydrophobicContact CD2-CD1 3.67Å; W210-I228 HydrophobicContact CD2-CG1 4.26Å; W210-I228 HydrophobicContact CE3-CD1 3.96Å; W210-I228 HydrophobicContact CG-CD1 4.17Å; W210-I228 HydrophobicContact CH2-CD1 4.02Å; W210-I228 HydrophobicContact CH2-CG1 4.14Å; W210-I228 HydrophobicContact CZ2-CD1 3.74Å; W210-I228 HydrophobicContact CZ2-CG1 3.54Å; W210-I228 HydrophobicContact CZ3-CD1 4.12Å; P226-I228 PolarHBondContact O-N 2.83Å
229K98.7Very high98.4Very high30 Ų3039.6 Ų39.613%0.1321%0.206CC..EExtended strand (participates in β ladder)trans-121.6164.2-179.4-74.8-171.2171.1-162.20112.3A191 T192 D193 V194 E227 E233 L234 Y235A191-K229 HydrophobicContact CB-CD 4.09Å; T192-K229 PolarHBondContact O-N 2.8Å; D193-K229 CarbonylContact C-O 3.59Å; D193-K229 VanDerWaalsContact CA-O 3.25Å; D193-K229 WeakPolarHBondContact CA-O 3.33Å; V194-K229 WeakPolarHBondContact CG1-O 3.1Å; V194-K229 PolarHBondContact N-O 2.73Å; E227-K229 HydrophobicContact CG-CG 4.38Å; E227-K229 WeakPolarHBondContact OE2-CE 3.26Å; E227-K229 IonicContact OE2-NZ 2.81Å; K229-E233 HydrophobicContact CB-CG 4.12Å; K229-E233 HydrophobicContact CD-CG 4.18Å; K229-E233 WeakPolarHBondContact CD-OE2 3.43Å; K229-E233 IonicContact NZ-OE2 2.69Å; K229-L234 PolarHBondContact NZ-O 3.36Å; K229-L234 VanDerWaalsContact NZ-O 3.17Å; K229-Y235 HydrophobicContact CB-CE1 3.78Å; K229-Y235 WeakPolarHBondContact CB-OH 3.36Å; K229-Y235 HydrophobicContact CD-CD1 4.01Å; K229-Y235 HydrophobicContact CD-CE1 3.88Å; K229-Y235 HydrophobicContact CG-CE1 4.34Å
230S98.6Very high98.3Very high2 Ų237.3 Ų37.31%0.01419%0.193CC..  trans-70.9162.6170.171.40000111.6S232 E233 Y235 G305 P306S230-S232 PolarHBondContact O-N 3.48Å; S230-S232 VanDerWaalsContact O-N 3.16Å; S230-E233 VanDerWaalsContact CB-OE1 3.3Å; S230-E233 WeakPolarHBondContact CB-OE1 3.28Å; S230-E233 PolarHBondContact N-OE1 3.38Å; S230-E233 PolarHBondContact OG-OE1 2.98Å; S230-Y235 PolarHBondContact O-OH 2.8Å; S230-G305 VanDerWaalsContact CB-C 3.43Å; S230-G305 WeakPolarHBondContact OG-CA 3.29Å; S230-G305 PolarHBondContact OG-N 3.22Å; S230-P306 WeakPolarHBondContact OG-CD 3.31Å
231C98.7Very high98.2Very high0 Ų043.6 Ų43.60%023%0.227CC..SBendtrans-70.3-11.1-175.7-54.90000114.9D193 G251 C252 L253 Q303 M476D193-C231 PolarHBondContact OD2-SG 3.39Å; C231-G251 WeakPolarHBondContact O-CA 3.5Å; C231-C252 VanDerWaalsContact CA-O 3.27Å; C231-C252 WeakPolarHBondContact CA-O 3.26Å; C231-C252 WeakPolarHBondContact CB-O 3.44Å; C231-C252 PolarHBondContact O-N 3.04Å; C231-L253 HydrophobicContact CB-CD1 4.14Å; C231-L253 HydrophobicContact CB-CD2 4.14Å; C231-L253 HydrophobicContact CB-CG 3.83Å; C231-Q303 WeakPolarHBondContact CA-O 3.46Å; C231-Q303 VanDerWaalsContact CB-O 3.31Å; C231-Q303 WeakPolarHBondContact CB-O 3.21Å; C231-Q303 PolarHBondContact N-O 2.73Å; C231-Q303 PolarHBondContact SG-N 2.89Å; C231-M476 HydrophobicContact CB-SD 4.18Å
232S98.3Very high98.1Very high10 Ų1043.2 Ų43.27%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-142.678.1-172.8168.60000110.4S230 Y250 G305 M476 S479 G480S230-S232 PolarHBondContact O-N 3.48Å; S230-S232 VanDerWaalsContact O-N 3.16Å; S232-Y250 CarbonylContact C-O 3.53Å; S232-Y250 VanDerWaalsContact CA-O 3.3Å; S232-Y250 WeakPolarHBondContact CA-O 3.33Å; S232-G305 WeakPolarHBondContact O-CA 3.44Å; S232-G305 PolarHBondContact O-N 3.01Å; S232-M476 PolarHBondContact OG-O 3.25Å; S232-S479 PolarHBondContact OG-OG 3.32Å; S232-G480 PolarHBondContact OG-N 3.43Å
233E97.1Very high98Very high35 Ų3542.8 Ų42.816%0.16422%0.22CC..EExtended strand (participates in β ladder)trans-157.8169.4176.867.8176.687.300111.2K229 S230 Y235 Y250K229-E233 HydrophobicContact CB-CG 4.12Å; K229-E233 HydrophobicContact CD-CG 4.18Å; K229-E233 WeakPolarHBondContact CD-OE2 3.43Å; K229-E233 IonicContact NZ-OE2 2.69Å; S230-E233 VanDerWaalsContact CB-OE1 3.3Å; S230-E233 WeakPolarHBondContact CB-OE1 3.28Å; S230-E233 PolarHBondContact N-OE1 3.38Å; S230-E233 PolarHBondContact OG-OE1 2.98Å; E233-Y235 HydrophobicContact CG-CE2 4.14Å; E233-Y235 WeakPolarHBondContact O-CD2 3.37Å; E233-Y235 PolarHBondContact O-N 3.05Å; E233-Y235 VanDerWaalsContact O-N 3.15Å; E233-Y250 PolarHBondContact N-O 3.07Å; E233-Y250 CarbonylContact O-C 3.48Å; E233-Y250 VanDerWaalsContact O-CA 3.28Å; E233-Y250 WeakPolarHBondContact O-CA 3.46Å
234L98.5Very high98Very high78 Ų7839 Ų3941%0.40820%0.203SC..EExtended strand (participates in β ladder)trans-72.9111-178.2-17462.6000111.6K229 P248 Y250K229-L234 PolarHBondContact NZ-O 3.36Å; K229-L234 VanDerWaalsContact NZ-O 3.17Å; L234-P248 HydrophobicContact CD1-CB 3.74Å; L234-Y250 HydrophobicContact CB-CD1 4.26Å; L234-Y250 HydrophobicContact CB-CE1 3.76Å; L234-Y250 HydrophobicContact CD1-CE1 4.16Å; L234-Y250 HydrophobicContact CD1-CE2 4.36Å
235Y98.6Very high97.9Very high4 Ų444.7 Ų44.72%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-81.4-31.3169.9-73.7-93.4000111.7I178 T189 A191 D193 K229 S230 E233 I249 C252I178-Y235 HydrophobicContact CD1-CD1 3.64Å; I178-Y235 HydrophobicContact CD1-CE1 3.95Å; I178-Y235 HydrophobicContact CD1-CG 4.28Å; I178-Y235 HydrophobicContact CG1-CD1 4.43Å; I178-Y235 HydrophobicContact CG2-CD1 4.29Å; T189-Y235 WeakPolarHBondContact CB-O 3.27Å; T189-Y235 VanDerWaalsContact CG2-O 3.3Å; T189-Y235 WeakPolarHBondContact CG2-O 3.33Å; T189-Y235 PolarHBondContact OG1-O 3.16Å; A191-Y235 HydrophobicContact CB-CD1 3.89Å; A191-Y235 HydrophobicContact CB-CE1 4.1Å; D193-Y235 WeakPolarHBondContact CA-OH 3.25Å; D193-Y235 VanDerWaalsContact CB-OH 3.24Å; D193-Y235 WeakPolarHBondContact CB-OH 3.47Å; K229-Y235 HydrophobicContact CB-CE1 3.78Å; K229-Y235 WeakPolarHBondContact CB-OH 3.36Å; K229-Y235 HydrophobicContact CD-CD1 4.01Å; K229-Y235 HydrophobicContact CD-CE1 3.88Å; K229-Y235 HydrophobicContact CG-CE1 4.34Å; S230-Y235 PolarHBondContact O-OH 2.8Å; E233-Y235 HydrophobicContact CG-CE2 4.14Å; E233-Y235 WeakPolarHBondContact O-CD2 3.37Å; E233-Y235 PolarHBondContact O-N 3.05Å; E233-Y235 VanDerWaalsContact O-N 3.15Å; Y235-I249 HydrophobicContact CG-CG2 4.49Å; Y235-I249 PolarHBondContact N-O 3.23Å; Y235-C252 HydrophobicContact CD2-CB 4.38Å; Y235-C252 HydrophobicContact CE1-CB 4.14Å; Y235-C252 HydrophobicContact CE2-CB 3.7Å
236G98.4Very high97.9Very high14 Ų1446 Ų4614%0.14425%0.245CC..EExtended strand (participates in β ladder)trans149-178.917900000110.9I249G236-I249 PolarHBondContact O-N 3.46Å
237N98.6Very high97.9Very high79 Ų7946.4 Ų46.442%0.42225%0.248SC..EExtended strand (participates in β ladder)trans-102.8146174.7-59.4-25.3000109.8K239 V247 P248N237-K239 PolarHBondContact O-N 2.98Å; N237-V247 WeakPolarHBondContact CA-O 3.18Å; N237-P248 WeakPolarHBondContact OD1-CA 3.44Å; N237-P248 WeakPolarHBondContact OD1-CB 3.36Å
238V98.6Very high97.9Very high2 Ų242 Ų421%0.01223%0.229CC..  trans-60.3120.1171.7176.50000109I82 L181 L240 I242 A244 G246 V247 I249I82-V238 HydrophobicContact CD1-CG2 4.2Å; L181-V238 CarbonylContact O-C 3.59Å; L181-V238 WeakPolarHBondContact O-CA 3.3Å; V238-L240 HydrophobicContact CG1-CB 4.45Å; V238-I242 HydrophobicContact CG1-CD1 4Å; V238-I242 HydrophobicContact CG1-CG1 3.98Å; V238-A244 WeakPolarHBondContact CB-O 3.44Å; V238-G246 PolarHBondContact O-N 3.36Å; V238-V247 PolarHBondContact N-O 2.85Å; V238-I249 HydrophobicContact CG2-CD1 4.25Å; V238-I249 HydrophobicContact CG2-CG1 4.2Å
239K98.2Very high97.9Very high105 Ų10540.4 Ų40.446%0.45722%0.221SC..  trans-100.1-18.9177.1-63.4-167.4-163.2135.60113.4L181 T182 N186 N187 N237L181-K239 PolarHBondContact O-N 3.13Å; T182-K239 WeakPolarHBondContact O-CD 3.43Å; T182-K239 WeakPolarHBondContact O-CE 3.48Å; T182-K239 WeakPolarHBondContact O-CG 3.33Å; T182-K239 PolarHBondContact O-NZ 3.22Å; N186-K239 PolarHBondContact O-NZ 2.77Å; N187-K239 PolarHBondContact O-NZ 2.81Å; N237-K239 PolarHBondContact O-N 2.98Å
240L95.9Very high97.8Very high51 Ų5141.6 Ų41.627%0.26723%0.225SC..SBendtrans-61.8147.7177.4-63.6179.6000111L64 L181 V238 I242 K245L64-L240 HydrophobicContact CD1-CD1 4.19Å; L64-L240 HydrophobicContact CD2-CD1 3.71Å; L181-L240 HydrophobicContact CD2-CD1 4.34Å; V238-L240 HydrophobicContact CG1-CB 4.45Å; L240-I242 HydrophobicContact CB-CG1 4.39Å; L240-I242 PolarHBondContact O-N 2.86Å; L240-K245 WeakPolarHBondContact O-CB 3.39Å
241D96.2Very high97.8Very high138 Ų13841.5 Ų41.574%0.73822%0.224SC*.SBendtrans-82.570.3-175.4-152.741.8000111.1K245D241-K245 WeakPolarHBondContact OD1-CD 3.4Å; D241-K245 WeakPolarHBondContact OD1-CE 3.47Å; D241-K245 IonicContact OD1-NZ 3.54Å; D241-K245 PolarHBondContact OD1-NZ 2.71Å
242I95.8Very high97.8Very high27 Ų2741.5 Ų41.514%0.13822%0.224CC..SBendtrans-128169.117956.6162000110L64 I67 E68 V238 L240 A244 K245L64-I242 HydrophobicContact CD2-CD1 3.9Å; L64-I242 HydrophobicContact CD2-CG2 4.31Å; I67-I242 HydrophobicContact CD1-CD1 4.14Å; I67-I242 HydrophobicContact CG2-CD1 4.2Å; E68-I242 WeakPolarHBondContact OE1-CA 3.2Å; E68-I242 WeakPolarHBondContact OE1-CB 3.49Å; V238-I242 HydrophobicContact CG1-CD1 4Å; V238-I242 HydrophobicContact CG1-CG1 3.98Å; L240-I242 HydrophobicContact CB-CG1 4.39Å; L240-I242 PolarHBondContact O-N 2.86Å; I242-A244 HydrophobicContact CD1-CB 3.97Å; I242-A244 HydrophobicContact CG1-CB 4.31Å; I242-A244 PolarHBondContact O-N 3.32Å; I242-K245 WeakPolarHBondContact O-CB 3.39Å; I242-K245 PolarHBondContact O-N 3.05Å
243V95.9Very high97.8Very high72 Ų7241 Ų4144%0.43622%0.221SC..THydrogen-bonded Turntrans-52.1-26.2176.466.60000114.1I67 E68 C71I67-V243 HydrophobicContact CG2-CG1 4.04Å; E68-V243 PolarHBondContact OE1-N 3.28Å; E68-V243 WeakPolarHBondContact OE2-CG1 3.43Å; C71-V243 HydrophobicContact CB-CB 4.45Å; C71-V243 HydrophobicContact CB-CG1 3.63Å; C71-V243 HydrophobicContact CB-CG2 4.02Å
244A96.9Very high97.9Very high0 Ų039.4 Ų39.40%021%0.213CC..THydrogen-bonded Turntrans-88.69.2176.200000114.7I67 L79 I82 V238 I242 G246 V247I67-A244 HydrophobicContact CG2-CB 3.94Å; L79-A244 HydrophobicContact CD2-CB 4Å; I82-A244 HydrophobicContact CD1-CB 3.9Å; V238-A244 WeakPolarHBondContact CB-O 3.44Å; I242-A244 HydrophobicContact CD1-CB 3.97Å; I242-A244 HydrophobicContact CG1-CB 4.31Å; I242-A244 PolarHBondContact O-N 3.32Å; A244-G246 PolarHBondContact O-N 3.24Å; A244-V247 HydrophobicContact CB-CB 4.46Å; A244-V247 HydrophobicContact CB-CG2 4.27Å; A244-V247 WeakPolarHBondContact O-CB 3.3Å; A244-V247 WeakPolarHBondContact O-CG2 3.4Å; A244-V247 PolarHBondContact O-N 2.92Å
245K97.8Very high97.8Very high119 Ų11937 Ų3752%0.51720%0.201SC..THydrogen-bonded Turntrans-56.3131-179.8-170.9-178.3-164.8174.70111.6L240 D241 I242 V247L240-K245 WeakPolarHBondContact O-CB 3.39Å; D241-K245 WeakPolarHBondContact OD1-CD 3.4Å; D241-K245 WeakPolarHBondContact OD1-CE 3.47Å; D241-K245 IonicContact OD1-NZ 3.54Å; D241-K245 PolarHBondContact OD1-NZ 2.71Å; I242-K245 WeakPolarHBondContact O-CB 3.39Å; I242-K245 PolarHBondContact O-N 3.05Å; K245-V247 VanDerWaalsContact C-N 3.26Å; K245-V247 PolarHBondContact O-N 3.47Å
246G98.1Very high97.6Very high46 Ų4637.1 Ų37.147%0.47420%0.202SC..THydrogen-bonded Turntrans82.1-11.2-176.200000115.1V238 A244V238-G246 PolarHBondContact O-N 3.36Å; A244-G246 PolarHBondContact O-N 3.24Å
247V98.5Very high97.6Very high14 Ų1436.5 Ų36.59%0.08520%0.195CC..  trans-68133.8177.1177.70000110.1L79 I82 N237 V238 A244 K245L79-V247 HydrophobicContact CB-CG2 4.33Å; L79-V247 HydrophobicContact CD2-CG1 4.32Å; L79-V247 HydrophobicContact CD2-CG2 4.17Å; L79-V247 HydrophobicContact CG-CG1 3.96Å; L79-V247 HydrophobicContact CG-CG2 4.09Å; L79-V247 WeakPolarHBondContact O-CG2 3.37Å; I82-V247 HydrophobicContact CD1-CG1 4.33Å; I82-V247 HydrophobicContact CG1-CG1 4.04Å; N237-V247 WeakPolarHBondContact CA-O 3.18Å; V238-V247 PolarHBondContact N-O 2.85Å; A244-V247 HydrophobicContact CB-CB 4.46Å; A244-V247 HydrophobicContact CB-CG2 4.27Å; A244-V247 WeakPolarHBondContact O-CB 3.3Å; A244-V247 WeakPolarHBondContact O-CG2 3.4Å; A244-V247 PolarHBondContact O-N 2.92Å; K245-V247 VanDerWaalsContact C-N 3.26Å; K245-V247 PolarHBondContact O-N 3.47Å
248P98.6Very high97.5Very high23 Ų2332.7 Ų32.715%0.14918%0.175CC..EExtended strand (participates in β ladder)trans-75.6141177.630.7-35.5000112.5R80 A81 I82 L234 N237 Y250R80-P248 VanDerWaalsContact O-CD 3.31Å; R80-P248 WeakPolarHBondContact O-CD 3.48Å; R80-P248 WeakPolarHBondContact O-CG 3.48Å; A81-P248 CarbonylContact C-O 3.55Å; A81-P248 VanDerWaalsContact CA-O 3.27Å; A81-P248 WeakPolarHBondContact CA-O 3.31Å; A81-P248 HydrophobicContact CB-CG 4.33Å; I82-P248 PolarHBondContact N-O 3.25Å; L234-P248 HydrophobicContact CD1-CB 3.74Å; N237-P248 WeakPolarHBondContact OD1-CA 3.44Å; N237-P248 WeakPolarHBondContact OD1-CB 3.36Å; P248-Y250 HydrophobicContact CB-CD2 3.7Å; P248-Y250 HydrophobicContact CB-CE2 3.53Å; P248-Y250 HydrophobicContact CG-CD2 3.78Å; P248-Y250 HydrophobicContact CG-CE2 3.59Å
249I98.9Very high97.3Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-93.7112168.2-56.5172.5000107I82 I84 L181 T182 Y235 G236 V238I82-I249 WeakPolarHBondContact O-CA 3.5Å; I84-I249 HydrophobicContact CD1-CD1 4.32Å; I84-I249 HydrophobicContact CD1-CG2 3.86Å; I84-I249 HydrophobicContact CG1-CG2 4.19Å; L181-I249 HydrophobicContact CB-CD1 3.9Å; L181-I249 HydrophobicContact CD1-CD1 4.04Å; T182-I249 HydrophobicContact CG2-CD1 3.97Å; Y235-I249 HydrophobicContact CG-CG2 4.49Å; Y235-I249 PolarHBondContact N-O 3.23Å; G236-I249 PolarHBondContact O-N 3.46Å; V238-I249 HydrophobicContact CG2-CD1 4.25Å; V238-I249 HydrophobicContact CG2-CG1 4.2Å
250Y98.1Very high97.2Very high55 Ų5527.6 Ų27.622%0.21615%0.153CC..EExtended strand (participates in β ladder)trans-114.6-30.1-176.4-89.9-66.7000113.8A81 I82 S232 E233 L234 P248 A477 G480 T481A81-Y250 HydrophobicContact CB-CD2 4.02Å; I82-Y250 PolarHBondContact O-N 2.99Å; S232-Y250 CarbonylContact C-O 3.53Å; S232-Y250 VanDerWaalsContact CA-O 3.3Å; S232-Y250 WeakPolarHBondContact CA-O 3.33Å; E233-Y250 PolarHBondContact N-O 3.07Å; E233-Y250 CarbonylContact O-C 3.48Å; E233-Y250 VanDerWaalsContact O-CA 3.28Å; E233-Y250 WeakPolarHBondContact O-CA 3.46Å; L234-Y250 HydrophobicContact CB-CD1 4.26Å; L234-Y250 HydrophobicContact CB-CE1 3.76Å; L234-Y250 HydrophobicContact CD1-CE1 4.16Å; L234-Y250 HydrophobicContact CD1-CE2 4.36Å; P248-Y250 HydrophobicContact CB-CD2 3.7Å; P248-Y250 HydrophobicContact CB-CE2 3.53Å; P248-Y250 HydrophobicContact CG-CD2 3.78Å; P248-Y250 HydrophobicContact CG-CE2 3.59Å; Y250-A477 WeakPolarHBondContact CB-O 3.48Å; Y250-G480 WeakPolarHBondContact CE1-O 3.24Å; Y250-T481 HydrophobicContact CD2-CG2 3.6Å; Y250-T481 HydrophobicContact CE2-CG2 3.72Å
251G97.7Very high97.1Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-104.5135.9-177.800000111.7I82 G83 I84 C231I82-G251 PolarHBondContact O-N 3.43Å; G83-G251 CarbonylContact C-O 3.57Å; G83-G251 WeakPolarHBondContact CA-O 3.37Å; I84-G251 PolarHBondContact N-O 3.42Å; C231-G251 WeakPolarHBondContact O-CA 3.5Å
252C98.8Very high96.9Very high0 Ų018.9 Ų18.90%011%0.108CC..EExtended strand (participates in β ladder)trans-149125.4169.5-177.10000110.5I84 D174 I178 D193 C231 Y235I84-C252 WeakPolarHBondContact O-CA 3.41Å; D174-C252 WeakPolarHBondContact CB-SG 3.39Å; I178-C252 HydrophobicContact CD1-CB 4.46Å; D193-C252 HydrophobicContact CB-CB 3.9Å; D193-C252 WeakPolarHBondContact CB-O 3.37Å; C231-C252 VanDerWaalsContact CA-O 3.27Å; C231-C252 WeakPolarHBondContact CA-O 3.26Å; C231-C252 WeakPolarHBondContact CB-O 3.44Å; C231-C252 PolarHBondContact O-N 3.04Å; Y235-C252 HydrophobicContact CD2-CB 4.38Å; Y235-C252 HydrophobicContact CE1-CB 4.14Å; Y235-C252 HydrophobicContact CE2-CB 3.7Å
253L98.6Very high96.6Very high0 Ų018.1 Ų18.10%010%0.103CC..EExtended strand (participates in β ladder)trans-151.6152.2177.5-60.490.1000111.5I84 T85 N86 D193 T195 C231 Q257 A258 V261 M476I84-L253 PolarHBondContact O-N 2.89Å; T85-L253 WeakPolarHBondContact CA-O 3.31Å; T85-L253 PolarHBondContact OG1-O 3.2Å; N86-L253 PolarHBondContact OD1-O 2.84Å; D193-L253 WeakPolarHBondContact OD1-CA 3.2Å; T195-L253 WeakPolarHBondContact OG1-CA 3.48Å; C231-L253 HydrophobicContact CB-CD1 4.14Å; C231-L253 HydrophobicContact CB-CD2 4.14Å; C231-L253 HydrophobicContact CB-CG 3.83Å; L253-Q257 HydrophobicContact CD2-CB 4.48Å; L253-A258 HydrophobicContact CB-CB 4.03Å; L253-V261 HydrophobicContact CD2-CG2 3.79Å; L253-M476 HydrophobicContact CD1-CB 3.74Å; L253-M476 HydrophobicContact CD1-CG 3.53Å; L253-M476 HydrophobicContact CD2-CE 4.26Å; L253-M476 HydrophobicContact CD2-CG 4.22Å; L253-M476 HydrophobicContact CG-CG 4.45Å
254G98.5Very high96.3Very high0 Ų016 Ų160%09%0.089CC..EExtended strand (participates in β ladder)trans-65.5145.7163.800000112.3R88 T195 N196 Q256 Q257 A258R88-G254 VanDerWaalsContact CG-CA 3.45Å; T195-G254 PolarHBondContact OG1-N 2.68Å; N196-G254 PolarHBondContact ND2-N 3.19Å; N196-G254 VanDerWaalsContact ND2-N 3.19Å; G254-Q256 VanDerWaalsContact C-N 3.34Å; G254-Q256 PolarHBondContact O-N 2.79Å; G254-Q256 VanDerWaalsContact O-N 3.15Å; G254-Q257 CarbonylContact O-C 3.56Å; G254-Q257 WeakPolarHBondContact O-CA 3.41Å; G254-Q257 WeakPolarHBondContact O-CB 3.43Å; G254-Q257 PolarHBondContact O-N 3.12Å; G254-A258 PolarHBondContact O-N 3.02Å
255D96.2Very high96.1Very high27 Ų2716 Ų1614%0.1449%0.089CC..Hα-helixtrans-47.8-44.6-17366.2-24.8000116.1T85 N86 R88 A258 A259 T469T85-D255 VanDerWaalsContact OG1-CA 3.28Å; T85-D255 WeakPolarHBondContact OG1-CA 3.45Å; N86-D255 VanDerWaalsContact O-CB 3.26Å; N86-D255 WeakPolarHBondContact O-CB 3.43Å; N86-D255 PolarHBondContact O-N 3.17Å; R88-D255 WeakPolarHBondContact CD-OD1 3.28Å; R88-D255 WeakPolarHBondContact CG-OD1 3.12Å; R88-D255 IonicContact NE-OD1 3.63Å; R88-D255 PolarHBondContact NE-OD1 3.31Å; D255-A258 PolarHBondContact O-N 2.86Å; D255-A259 WeakPolarHBondContact O-CB 3.25Å; D255-A259 PolarHBondContact O-N 2.96Å; D255-T469 HydrophobicContact CB-CG2 3.99Å
256Q95.8Very high95.7Very high8 Ų812.4 Ų12.44%0.0377%0.072CC..Hα-helixtrans-74.7-30.6-178.3-56.6-49.9-44.200112.7R88 G254 L260 K272 T274 F280 L282R88-Q256 VanDerWaalsContact CZ-CG 3.49Å; G254-Q256 VanDerWaalsContact C-N 3.34Å; G254-Q256 PolarHBondContact O-N 2.79Å; G254-Q256 VanDerWaalsContact O-N 3.15Å; Q256-L260 PolarHBondContact O-N 2.84Å; Q256-K272 WeakPolarHBondContact O-CE 3.4Å; Q256-K272 PolarHBondContact O-NZ 3.49Å; Q256-T274 PolarHBondContact OE1-OG1 2.82Å; Q256-F280 HydrophobicContact CG-CB 3.92Å; Q256-F280 HydrophobicContact CG-CD1 4.41Å; Q256-F280 HydrophobicContact CG-CD2 4.27Å; Q256-F280 HydrophobicContact CG-CG 3.96Å; Q256-F280 VanDerWaalsContact OE1-CB 3.3Å; Q256-L282 HydrophobicContact CB-CD1 3.69Å; Q256-L282 HydrophobicContact CB-CD2 4.18Å
257Q98Very high95.4Very high0 Ų017.5 Ų17.50%08%0.081CC..Hα-helixtrans-73.8-40.1172-80.287.6-21.600111.5T195 L253 G254 A259 L260 V261 L282 T299 V300 A301T195-Q257 HydrophobicContact CG2-CB 3.95Å; T195-Q257 HydrophobicContact CG2-CG 3.74Å; L253-Q257 HydrophobicContact CD2-CB 4.48Å; G254-Q257 CarbonylContact O-C 3.56Å; G254-Q257 WeakPolarHBondContact O-CA 3.41Å; G254-Q257 WeakPolarHBondContact O-CB 3.43Å; G254-Q257 PolarHBondContact O-N 3.12Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 2.7Å; Q257-L260 VanDerWaalsContact O-CB 3.31Å; Q257-L260 WeakPolarHBondContact O-CB 3.22Å; Q257-L260 PolarHBondContact O-N 3.46Å; Q257-L260 VanDerWaalsContact O-N 3.12Å; Q257-V261 WeakPolarHBondContact O-CG2 3.36Å; Q257-V261 PolarHBondContact O-N 3.47Å; Q257-L282 HydrophobicContact CG-CD2 4.23Å; Q257-T299 PolarHBondContact NE2-OG1 3.19Å; Q257-V300 VanDerWaalsContact CG-O 3.3Å; Q257-V300 WeakPolarHBondContact CG-O 3.47Å; Q257-V300 PolarHBondContact NE2-O 3.46Å; Q257-A301 VanDerWaalsContact CB-O 3.29Å; Q257-A301 WeakPolarHBondContact CB-O 3.46Å; Q257-A301 WeakPolarHBondContact CG-O 3.46Å
258A96.9Very high95.2Very high0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-59.2-45.2170.900000110.7T85 L253 G254 D255 L260 V261 G262 T469 G472T85-A258 HydrophobicContact CG2-CB 4.3Å; T85-A258 WeakPolarHBondContact OG1-CB 3.28Å; L253-A258 HydrophobicContact CB-CB 4.03Å; G254-A258 PolarHBondContact O-N 3.02Å; D255-A258 PolarHBondContact O-N 2.86Å; A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 2.85Å; A258-V261 PolarHBondContact O-N 2.75Å; A258-V261 VanDerWaalsContact O-N 3.14Å; A258-G262 PolarHBondContact O-N 2.85Å; A258-T469 HydrophobicContact CB-CG2 4.24Å; A258-T469 VanDerWaalsContact CB-O 3.31Å; A258-T469 WeakPolarHBondContact CB-O 3.49Å; A258-G472 WeakPolarHBondContact O-CA 3.45Å
259A94.5Very high95Very high0 Ų018.7 Ų18.70%09%0.089CC..Hα-helixtrans-60.5-37.6173.100000112.9D255 Q257 V261 G262 Q263 K272D255-A259 WeakPolarHBondContact O-CB 3.25Å; D255-A259 PolarHBondContact O-N 2.96Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 2.7Å; A259-V261 VanDerWaalsContact C-N 3.34Å; A259-V261 PolarHBondContact O-N 3.33Å; A259-G262 PolarHBondContact O-N 3Å; A259-Q263 VanDerWaalsContact O-CB 3.23Å; A259-Q263 WeakPolarHBondContact O-CB 3.4Å; A259-Q263 WeakPolarHBondContact O-CG 3.48Å; A259-Q263 PolarHBondContact O-N 2.9Å; A259-K272 HydrophobicContact CB-CD 4.45Å
260L94.8Very high94.7Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-60.9-41.9173.7-171.473.9000111.9Q256 Q257 A258 C265 K272 L282 A301Q256-L260 PolarHBondContact O-N 2.84Å; Q257-L260 VanDerWaalsContact O-CB 3.31Å; Q257-L260 WeakPolarHBondContact O-CB 3.22Å; Q257-L260 PolarHBondContact O-N 3.46Å; Q257-L260 VanDerWaalsContact O-N 3.12Å; A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 2.85Å; L260-C265 HydrophobicContact CD1-CB 3.28Å; L260-C265 HydrophobicContact CG-CB 3.71Å; L260-C265 WeakPolarHBondContact O-CB 3.44Å; L260-C265 PolarHBondContact O-N 3.04Å; L260-K272 HydrophobicContact CB-CG 4.34Å; L260-K272 HydrophobicContact CD1-CG 3.73Å; L260-L282 HydrophobicContact CD1-CB 3.94Å; L260-L282 HydrophobicContact CD2-CB 4.44Å; L260-L282 HydrophobicContact CD2-CD2 4.33Å; L260-A301 HydrophobicContact CD2-CB 3.76Å
261V94.6Very high94.6Very high0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-68.3-49.1176.2173.50000111.5L253 Q257 A258 A259 Q263 Q264 Y266 Y302 L475 M476 F486L253-V261 HydrophobicContact CD2-CG2 3.79Å; Q257-V261 WeakPolarHBondContact O-CG2 3.36Å; Q257-V261 PolarHBondContact O-N 3.47Å; A258-V261 PolarHBondContact O-N 2.75Å; A258-V261 VanDerWaalsContact O-N 3.14Å; A259-V261 VanDerWaalsContact C-N 3.34Å; A259-V261 PolarHBondContact O-N 3.33Å; V261-Q263 PolarHBondContact O-N 3.47Å; V261-Q264 WeakPolarHBondContact O-CA 3.21Å; V261-Q264 PolarHBondContact O-N 3.05Å; V261-Y266 HydrophobicContact CG1-CE1 4.14Å; V261-Y266 WeakPolarHBondContact O-CE1 3.29Å; V261-Y266 PolarHBondContact O-OH 3.26Å; V261-Y302 HydrophobicContact CG2-CD1 3.66Å; V261-Y302 HydrophobicContact CG2-CE1 4.38Å; V261-Y302 HydrophobicContact CG2-CG 4.12Å; V261-L475 HydrophobicContact CG1-CB 4.39Å; V261-L475 HydrophobicContact CG1-CD1 4.37Å; V261-M476 HydrophobicContact CB-CE 4.42Å; V261-M476 HydrophobicContact CG1-CE 3.86Å; V261-M476 HydrophobicContact CG1-CG 4.29Å; V261-M476 HydrophobicContact CG2-CE 3.62Å; V261-F486 HydrophobicContact CG1-CE1 3.88Å; V261-F486 HydrophobicContact CG1-CZ 4.01Å
262G92.1Very high94.4Very high6 Ų616.9 Ų16.96%0.0628%0.084CC..Hα-helixtrans-65.6-25.1179.200000113.9A258 A259 Q264 G468A258-G262 PolarHBondContact O-N 2.85Å; A259-G262 PolarHBondContact O-N 3Å; G262-Q264 PolarHBondContact O-N 2.95Å; G262-G468 WeakPolarHBondContact CA-O 3.28Å
263Q90.2Very high94.2Very high11 Ų1116.9 Ų16.95%0.0518%0.084CC..THydrogen-bonded Turntrans-80.74.3169.2-69.2-76.411.200113.4A259 V261 C265 K272 R437 V438 D439A259-Q263 VanDerWaalsContact O-CB 3.23Å; A259-Q263 WeakPolarHBondContact O-CB 3.4Å; A259-Q263 WeakPolarHBondContact O-CG 3.48Å; A259-Q263 PolarHBondContact O-N 2.9Å; V261-Q263 PolarHBondContact O-N 3.47Å; Q263-C265 VanDerWaalsContact C-N 3.25Å; Q263-C265 PolarHBondContact O-N 2.89Å; Q263-K272 HydrophobicContact CB-CB 4.27Å; Q263-K272 HydrophobicContact CG-CB 4.19Å; Q263-R437 HydrophobicContact CB-CB 4.31Å; Q263-R437 HydrophobicContact CG-CB 4.45Å; Q263-R437 WeakPolarHBondContact O-CD 3.28Å; Q263-R437 PolarHBondContact O-NE 2.96Å; Q263-V438 VanDerWaalsContact NE2-C 3.29Å; Q263-V438 PolarHBondContact NE2-O 2.94Å; Q263-D439 WeakPolarHBondContact CG-OD2 3.15Å; Q263-D439 PolarHBondContact NE2-OD2 3.25Å
264Q89.3Confident93.9Very high28 Ų2817.6 Ų17.613%0.1319%0.088CC..THydrogen-bonded Turntrans56.134.2-176.9-51.1169.97300114.4V261 G262 Y266 R437 W495V261-Q264 WeakPolarHBondContact O-CA 3.21Å; V261-Q264 PolarHBondContact O-N 3.05Å; G262-Q264 PolarHBondContact O-N 2.95Å; Q264-Y266 HydrophobicContact CB-CD2 4.2Å; Q264-Y266 HydrophobicContact CB-CE2 3.87Å; Q264-Y266 HydrophobicContact CG-CE2 4.11Å; Q264-Y266 PolarHBondContact O-N 3.16Å; Q264-R437 PolarHBondContact O-NH2 3.23Å; Q264-W495 HydrophobicContact CG-CD2 4.34Å; Q264-W495 HydrophobicContact CG-CE3 3.43Å; Q264-W495 VanDerWaalsContact CG-CE3 3.43Å; Q264-W495 HydrophobicContact CG-CH2 4.16Å; Q264-W495 HydrophobicContact CG-CZ3 3.29Å; Q264-W495 VanDerWaalsContact OE1-CE3 3.28Å
265C91.3Very high93.6Very high0 Ų017.6 Ų17.60%09%0.088CC..  trans-80.361.6176.2-66.20000110.2L260 Q263 D270 N284 R437L260-C265 HydrophobicContact CD1-CB 3.28Å; L260-C265 HydrophobicContact CG-CB 3.71Å; L260-C265 WeakPolarHBondContact O-CB 3.44Å; L260-C265 PolarHBondContact O-N 3.04Å; Q263-C265 VanDerWaalsContact C-N 3.25Å; Q263-C265 PolarHBondContact O-N 2.89Å; C265-D270 VanDerWaalsContact CA-CB 3.47Å; C265-D270 HydrophobicContact CB-CB 3.54Å; C265-N284 PolarHBondContact O-ND2 2.93Å; C265-R437 PolarHBondContact SG-NH1 3.03Å; C265-R437 VanDerWaalsContact SG-NH1 3.43Å
266Y90.9Very high93.1Very high43 Ų4317.5 Ų17.517%0.1699%0.094CC..  trans-89.1-20.6-172.5-54.2-35.3000113.4V261 Q264 D270 N284 Y302 F486V261-Y266 HydrophobicContact CG1-CE1 4.14Å; V261-Y266 WeakPolarHBondContact O-CE1 3.29Å; V261-Y266 PolarHBondContact O-OH 3.26Å; Q264-Y266 HydrophobicContact CB-CD2 4.2Å; Q264-Y266 HydrophobicContact CB-CE2 3.87Å; Q264-Y266 HydrophobicContact CG-CE2 4.11Å; Q264-Y266 PolarHBondContact O-N 3.16Å; Y266-D270 PolarHBondContact N-OD2 3.12Å; Y266-N284 PolarHBondContact O-ND2 2.87Å; Y266-Y302 WeakPolarHBondContact CA-OH 3.48Å; Y266-Y302 PolarHBondContact O-OH 3.14Å; Y266-F486 HydrophobicContact CD1-CD1 4.3Å; Y266-F486 HydrophobicContact CD1-CE1 4.45Å; Y266-F486 AromaticContact CE1-CD1 3.75Å; Y266-F486 HydrophobicContact CE1-CD1 3.75Å; Y266-F486 AromaticContact CE1-CE1 3.59Å; Y266-F486 HydrophobicContact CE1-CE1 3.59Å; Y266-F486 HydrophobicContact CE2-CD1 4.1Å; Y266-F486 AromaticContact CZ-CD1 3.63Å; Y266-F486 AromaticContact CZ-CE1 3.62Å; Y266-F486 WeakPolarHBondContact OH-CE1 3.47Å
267K91.3Very high92.5Very high152 Ų15220.6 Ų20.666%0.66111%0.113SC*.SBendtrans-96.4144.6-176.2-61.1180-179.81790110.1G269 D270K267-G269 PolarHBondContact O-N 2.76Å; K267-D270 WeakPolarHBondContact CB-OD2 3.37Å; K267-D270 PolarHBondContact N-OD2 3.39Å; K267-D270 VanDerWaalsContact O-CB 3.32Å; K267-D270 WeakPolarHBondContact O-CB 3.26Å; K267-D270 PolarHBondContact O-N 3.44Å
268P94.1Very high92Very high62 Ų6221.1 Ų21.140%0.40312%0.118SC..THydrogen-bonded Turntrans-54.4129.9170.7-22.132000110.4Y428 H432P268-Y428 WeakPolarHBondContact CB-OH 3.19Å; P268-H432 PolarHBondContact O-CE1 3.41Å; P268-H432 PolarHBondContact O-ND1 3.11Å
269G94.3Very high91.6Very high0 Ų021.1 Ų21.10%012%0.118CC..THydrogen-bonded Turntrans89.8-7.2-174.800000115.7K267 V271 N284 K430 H432K267-G269 PolarHBondContact O-N 2.76Å; G269-V271 WeakPolarHBondContact O-CG2 3.23Å; G269-N284 PolarHBondContact N-O 2.85Å; G269-K430 VanDerWaalsContact CA-O 3.27Å; G269-K430 WeakPolarHBondContact CA-O 3.41Å; G269-H432 WeakPolarHBondContact O-CB 3.29Å; G269-H432 PolarHBondContact O-N 3.17Å
270D93.8Very high91.5Very high17 Ų1722.4 Ų22.49%0.09112%0.124CC..  trans-63.1135.3168.4-83.3-48000110.6C265 Y266 K267 C283 N284 R437C265-D270 VanDerWaalsContact CA-CB 3.47Å; C265-D270 HydrophobicContact CB-CB 3.54Å; Y266-D270 PolarHBondContact N-OD2 3.12Å; K267-D270 WeakPolarHBondContact CB-OD2 3.37Å; K267-D270 PolarHBondContact N-OD2 3.39Å; K267-D270 VanDerWaalsContact O-CB 3.32Å; K267-D270 WeakPolarHBondContact O-CB 3.26Å; K267-D270 PolarHBondContact O-N 3.44Å; D270-C283 WeakPolarHBondContact O-CA 3.28Å; D270-N284 PolarHBondContact O-N 3.16Å; D270-R437 IonicContact OD1-CZ 2.69Å; D270-R437 IonicContact OD1-NH1 3.52Å; D270-R437 PolarHBondContact OD1-NH1 3.32Å; D270-R437 IonicContact OD1-NH2 3.87Å; D270-R437 PolarHBondContact OD1-NH2 3.25Å; D270-R437 IonicContact OD2-NH2 2.72Å
271V94.7Very high91.5Very high1 Ų122.4 Ų22.41%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-125.6138.9-179.3-168.10000111G269 I281 L282 C283 L421 L433 L436 R437G269-V271 WeakPolarHBondContact O-CG2 3.23Å; V271-I281 HydrophobicContact CG1-CG2 3.76Å; V271-L282 WeakPolarHBondContact CA-O 3.46Å; V271-C283 HydrophobicContact CG1-CB 4.48Å; V271-C283 HydrophobicContact CG2-CB 3.96Å; V271-L421 HydrophobicContact CG1-CD2 3.91Å; V271-L433 HydrophobicContact CG2-CD2 4.32Å; V271-L436 HydrophobicContact CB-CD1 4.33Å; V271-L436 HydrophobicContact CG1-CD1 3.8Å; V271-R437 PolarHBondContact O-N 3.01Å
272K94.5Very high91.6Very high0 Ų022.4 Ų22.40%012%0.124CC..EExtended strand (participates in β ladder)trans-126.1157165.474.683.5170.7174.80112.5Q256 A259 L260 Q263 T274 I281 L282 R437Q256-K272 WeakPolarHBondContact O-CE 3.4Å; Q256-K272 PolarHBondContact O-NZ 3.49Å; A259-K272 HydrophobicContact CB-CD 4.45Å; L260-K272 HydrophobicContact CB-CG 4.34Å; L260-K272 HydrophobicContact CD1-CG 3.73Å; Q263-K272 HydrophobicContact CB-CB 4.27Å; Q263-K272 HydrophobicContact CG-CB 4.19Å; K272-T274 PolarHBondContact NZ-OG1 2.9Å; K272-I281 VanDerWaalsContact O-CA 3.32Å; K272-I281 WeakPolarHBondContact O-CA 3.39Å; K272-L282 PolarHBondContact N-O 2.82Å; K272-L282 PolarHBondContact O-N 3.17Å; K272-R437 CarbonylContact C-O 3.56Å; K272-R437 WeakPolarHBondContact CA-O 3.45Å; K272-R437 HydrophobicContact CB-CB 4.21Å
273C94.5Very high91.8Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-131.4127.9165.9-175.20000112.1Y275 F280 I281 L436 R437 V438 D439C273-Y275 HydrophobicContact CB-CE2 3.82Å; C273-Y275 WeakPolarHBondContact SG-CE1 3.49Å; C273-F280 WeakPolarHBondContact CA-O 3.19Å; C273-I281 HydrophobicContact CB-CG1 3.9Å; C273-I281 VanDerWaalsContact SG-CG1 3.54Å; C273-L436 HydrophobicContact CB-CD1 4.07Å; C273-L436 HydrophobicContact CB-CD2 4.42Å; C273-L436 HydrophobicContact CB-CG 4.48Å; C273-R437 PolarHBondContact N-O 3.22Å; C273-V438 WeakPolarHBondContact O-CA 3.25Å; C273-D439 PolarHBondContact O-N 2.73Å
274T92.2Very high92.1Very high14 Ų1421.6 Ų21.69%0.08612%0.119CC..EExtended strand (participates in β ladder)trans-97.5119.2172.1-63.80000109.8Q256 K272 G279 F280 D439Q256-T274 PolarHBondContact OE1-OG1 2.82Å; K272-T274 PolarHBondContact NZ-OG1 2.9Å; T274-G279 CarbonylContact O-C 3.52Å; T274-G279 VanDerWaalsContact O-CA 3.26Å; T274-G279 WeakPolarHBondContact O-CA 3.39Å; T274-F280 PolarHBondContact N-O 2.82Å; T274-F280 PolarHBondContact O-N 2.81Å; T274-D439 WeakPolarHBondContact CA-O 3.34Å; T274-D439 WeakPolarHBondContact CA-OD1 3.39Å; T274-D439 WeakPolarHBondContact CB-OD1 3.47Å; T274-D439 VanDerWaalsContact CG2-OD1 3.22Å; T274-D439 WeakPolarHBondContact CG2-OD1 3.35Å; T274-D439 PolarHBondContact OG1-OD1 2.95Å
275Y91.4Very high92.5Very high0 Ų020.6 Ų20.60%011%0.114CC..EExtended strand (participates in β ladder)trans-101.991.1179.1-60.9-81000111.9C273 V413 T417 V438 D439 G440 K441 M442 V443 F448 Q452C273-Y275 HydrophobicContact CB-CE2 3.82Å; C273-Y275 WeakPolarHBondContact SG-CE1 3.49Å; Y275-V413 HydrophobicContact CD1-CG1 4.01Å; Y275-V413 HydrophobicContact CE1-CG1 4.04Å; Y275-T417 WeakPolarHBondContact CE1-OG1 2.87Å; Y275-T417 VanDerWaalsContact OH-CG2 3.3Å; Y275-T417 WeakPolarHBondContact OH-CG2 3.17Å; Y275-T417 PolarHBondContact OH-OG1 2.97Å; Y275-V438 HydrophobicContact CD2-CB 4.36Å; Y275-V438 HydrophobicContact CE2-CB 4.03Å; Y275-V438 HydrophobicContact CE2-CG1 3.71Å; Y275-D439 PolarHBondContact N-O 3.26Å; Y275-G440 CarbonylContact O-C 3.58Å; Y275-G440 WeakPolarHBondContact O-CA 3.36Å; Y275-K441 PolarHBondContact O-N 2.9Å; Y275-M442 PolarHBondContact O-N 2.95Å; Y275-V443 HydrophobicContact CD2-CG1 3.69Å; Y275-V443 HydrophobicContact CE2-CG1 4.45Å; Y275-F448 HydrophobicContact CD1-CE1 4.12Å; Y275-F448 AromaticContact CD1-CZ 3.69Å; Y275-F448 HydrophobicContact CD1-CZ 3.69Å; Y275-F448 AromaticContact CD2-CE1 3.94Å; Y275-F448 HydrophobicContact CD2-CE1 3.94Å; Y275-F448 HydrophobicContact CD2-CZ 4.25Å; Y275-F448 HydrophobicContact CE1-CE1 4.32Å; Y275-F448 AromaticContact CE1-CZ 3.66Å; Y275-F448 HydrophobicContact CE1-CZ 3.66Å; Y275-F448 HydrophobicContact CE2-CE1 4.12Å; Y275-F448 HydrophobicContact CE2-CZ 4.19Å; Y275-F448 AromaticContact CG-CE1 3.92Å; Y275-F448 HydrophobicContact CG-CE1 3.92Å; Y275-F448 AromaticContact CG-CZ 3.99Å; Y275-F448 HydrophobicContact CG-CZ 3.99Å; Y275-F448 AromaticContact CZ-CZ 3.9Å; Y275-Q452 PolarHBondContact OH-OE1 3.34Å
276G86.7Confident92.7Very high26 Ų2620.9 Ų20.927%0.26812%0.118SC..SBendtrans-102.8-134.3173.900000111.8G278 G322G276-G278 CarbonylContact C-O 3.49Å; G276-G278 WeakPolarHBondContact CA-O 3.41Å; G276-G278 PolarHBondContact N-O 2.56Å; G276-G322 VanDerWaalsContact O-CA 3.25Å; G276-G322 WeakPolarHBondContact O-CA 3.3Å; G276-G322 PolarHBondContact O-N 3.26Å
277T83.3Confident93Very high73 Ų7325 Ų2545%0.44814%0.138SC..SBendtrans-66.3-45.9170.3-550000110.8A321 G322 G323 R326T277-A321 CarbonylContact O-C 3.54Å; T277-A321 WeakPolarHBondContact O-CA 3.12Å; T277-A321 PolarHBondContact O-N 3.15Å; T277-G322 PolarHBondContact O-N 3.06Å; T277-G322 VanDerWaalsContact O-N 3.15Å; T277-G323 PolarHBondContact O-N 3.32Å; T277-R326 PolarHBondContact OG1-NH2 2.84Å
278G86.3Confident93.1Very high11 Ų1122.4 Ų22.411%0.11314%0.135CC..SBendtrans-101.2-174.6159.300000111.1G276 V318G276-G278 CarbonylContact C-O 3.49Å; G276-G278 WeakPolarHBondContact CA-O 3.41Å; G276-G278 PolarHBondContact N-O 2.56Å; G278-V318 CarbonylContact C-O 3.5Å; G278-V318 VanDerWaalsContact CA-O 3.23Å; G278-V318 WeakPolarHBondContact CA-O 3.28Å
279G89.2Confident93.2Very high0 Ų020.8 Ų20.80%012%0.124CC..EExtended strand (participates in β ladder)trans-116.4139171.900000111.4T274 S317 V318T274-G279 CarbonylContact O-C 3.52Å; T274-G279 VanDerWaalsContact O-CA 3.26Å; T274-G279 WeakPolarHBondContact O-CA 3.39Å; G279-S317 CarbonylContact O-C 3.45Å; G279-S317 VanDerWaalsContact O-CA 3.32Å; G279-S317 WeakPolarHBondContact O-CA 3.46Å; G279-V318 PolarHBondContact N-O 3.21Å; G279-V318 PolarHBondContact O-N 3.48Å
280F92.5Very high93.2Very high27 Ų2721.9 Ų21.912%0.11813%0.131CC..EExtended strand (participates in β ladder)trans-125.3110.5177.8-66.2-77000111W108 Q256 C273 T274 L282 S317W108-F280 HydrophobicContact CH2-CZ 4.26Å; W108-F280 HydrophobicContact CZ3-CZ 4.47Å; Q256-F280 HydrophobicContact CG-CB 3.92Å; Q256-F280 HydrophobicContact CG-CD1 4.41Å; Q256-F280 HydrophobicContact CG-CD2 4.27Å; Q256-F280 HydrophobicContact CG-CG 3.96Å; Q256-F280 VanDerWaalsContact OE1-CB 3.3Å; C273-F280 WeakPolarHBondContact CA-O 3.19Å; T274-F280 PolarHBondContact N-O 2.82Å; T274-F280 PolarHBondContact O-N 2.81Å; F280-L282 HydrophobicContact CB-CD1 4.44Å; F280-S317 WeakPolarHBondContact CD1-OG 3.44Å; F280-S317 WeakPolarHBondContact CE1-OG 3.42Å
281I95.2Very high93.2Very high0 Ų024.8 Ų24.80%015%0.153CC..EExtended strand (participates in β ladder)trans-100.2127.5-179.4-52.8178.1000108.2V271 K272 C273 E315 G316 T417 I420 L421 M424V271-I281 HydrophobicContact CG1-CG2 3.76Å; K272-I281 VanDerWaalsContact O-CA 3.32Å; K272-I281 WeakPolarHBondContact O-CA 3.39Å; C273-I281 HydrophobicContact CB-CG1 3.9Å; C273-I281 VanDerWaalsContact SG-CG1 3.54Å; I281-E315 VanDerWaalsContact O-CA 3.32Å; I281-E315 WeakPolarHBondContact O-CA 3.5Å; I281-G316 PolarHBondContact N-O 3.22Å; I281-G316 PolarHBondContact O-N 3.12Å; I281-T417 HydrophobicContact CD1-CG2 3.56Å; I281-I420 HydrophobicContact CB-CG2 4.17Å; I281-I420 HydrophobicContact CD1-CB 3.84Å; I281-I420 HydrophobicContact CD1-CD1 4.32Å; I281-I420 HydrophobicContact CD1-CG2 3.7Å; I281-I420 HydrophobicContact CG1-CG2 4.37Å; I281-L421 HydrophobicContact CD1-CD2 4.35Å; I281-L421 HydrophobicContact CD1-CG 4.3Å; I281-L421 HydrophobicContact CG2-CD2 3.77Å; I281-M424 HydrophobicContact CB-CE 4Å; I281-M424 HydrophobicContact CB-SD 4.49Å; I281-M424 HydrophobicContact CG2-CE 3.75Å; I281-M424 HydrophobicContact CG2-SD 3.64Å; I281-M424 VanDerWaalsContact O-CE 3.23Å; I281-M424 WeakPolarHBondContact O-CE 3.35Å
282L96.4Very high93.1Very high0 Ų026.2 Ų26.20%016%0.163CC..EExtended strand (participates in β ladder)trans-126.7131.1174.3-8177.6000109.5Q256 Q257 L260 V271 K272 F280 L314 E315Q256-L282 HydrophobicContact CB-CD1 3.69Å; Q256-L282 HydrophobicContact CB-CD2 4.18Å; Q257-L282 HydrophobicContact CG-CD2 4.23Å; L260-L282 HydrophobicContact CD1-CB 3.94Å; L260-L282 HydrophobicContact CD2-CB 4.44Å; L260-L282 HydrophobicContact CD2-CD2 4.33Å; V271-L282 WeakPolarHBondContact CA-O 3.46Å; K272-L282 PolarHBondContact N-O 2.82Å; K272-L282 PolarHBondContact O-N 3.17Å; F280-L282 HydrophobicContact CB-CD1 4.44Å; L282-L314 WeakPolarHBondContact CA-O 3.07Å; L282-E315 HydrophobicContact CD1-CB 4.41Å; L282-E315 HydrophobicContact CD1-CG 3.86Å; L282-E315 HydrophobicContact CG-CB 4.13Å; L282-E315 HydrophobicContact CG-CG 4.14Å
283C96.6Very high92.7Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-114.2121.4172.3177.90000109.6D270 V271 T285 A313 L314 M424D270-C283 WeakPolarHBondContact O-CA 3.28Å; V271-C283 HydrophobicContact CG1-CB 4.48Å; V271-C283 HydrophobicContact CG2-CB 3.96Å; C283-T285 PolarHBondContact O-N 3Å; C283-A313 CarbonylContact O-C 3.53Å; C283-A313 WeakPolarHBondContact O-CA 3.1Å; C283-A313 VanDerWaalsContact O-CB 3.25Å; C283-A313 WeakPolarHBondContact O-CB 3.38Å; C283-L314 PolarHBondContact N-O 2.89Å; C283-L314 PolarHBondContact O-N 2.81Å; C283-M424 HydrophobicContact CB-SD 3.77Å
284N96.8Very high92.5Very high0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-66.4124.8174.9-178.5-33.1000109.8C265 Y266 G269 D270 G286 Y302C265-N284 PolarHBondContact O-ND2 2.93Å; Y266-N284 PolarHBondContact O-ND2 2.87Å; G269-N284 PolarHBondContact N-O 2.85Å; D270-N284 PolarHBondContact O-N 3.16Å; N284-G286 WeakPolarHBondContact OD1-CA 3.4Å; N284-G286 PolarHBondContact OD1-N 3.25Å; N284-Y302 PolarHBondContact ND2-OH 3.37Å; N284-Y302 VanDerWaalsContact ND2-OH 3.07Å
285T97.1Very high92.1Very high6 Ų641.4 Ų41.44%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-103.53.3179.963.10000114C283 V288 V290 Y312 L314 Y428C283-T285 PolarHBondContact O-N 3Å; T285-V288 PolarHBondContact OG1-O 3.02Å; T285-V290 HydrophobicContact CG2-CB 4.16Å; T285-V290 HydrophobicContact CG2-CG2 3.79Å; T285-Y312 PolarHBondContact N-O 3.19Å; T285-Y312 WeakPolarHBondContact OG1-CB 3.29Å; T285-Y312 PolarHBondContact OG1-O 2.87Å; T285-L314 HydrophobicContact CG2-CB 4.47Å; T285-L314 HydrophobicContact CG2-CD1 4.5Å; T285-L314 HydrophobicContact CG2-CG 4.09Å; T285-Y428 HydrophobicContact CG2-CD1 4.06Å; T285-Y428 HydrophobicContact CG2-CD2 4.27Å; T285-Y428 HydrophobicContact CG2-CE1 4.17Å; T285-Y428 HydrophobicContact CG2-CE2 4.34Å; T285-Y428 HydrophobicContact CG2-CG 4.1Å; T285-Y428 PolarHBondContact O-OH 2.79Å
286G96Very high92.2Very high7 Ų741.9 Ų41.97%0.07223%0.234CC..EExtended strand (participates in β ladder)trans74.6-153.5-172.800000112.6N284 V288 C311 Y312N284-G286 WeakPolarHBondContact OD1-CA 3.4Å; N284-G286 PolarHBondContact OD1-N 3.25Å; G286-V288 PolarHBondContact O-N 3.46Å; G286-V288 VanDerWaalsContact O-N 3.14Å; G286-C311 WeakPolarHBondContact O-CA 3.15Å; G286-Y312 PolarHBondContact O-N 2.88Å
287E96.2Very high92.5Very high128 Ų12841.1 Ų41.160%0.59822%0.223SC*.SBendtrans-76.86.6-173.8-59.3174.4-163.600114.4P309 P310 Y312E287-P309 VanDerWaalsContact CD-CG 3.45Å; E287-P309 HydrophobicContact CG-CB 4.02Å; E287-P309 HydrophobicContact CG-CG 4.13Å; E287-P309 WeakPolarHBondContact OE1-CG 3.25Å; E287-P310 WeakPolarHBondContact CA-O 3.26Å; E287-Y312 WeakPolarHBondContact O-CE2 3.4Å
288V93.4Very high93.2Very high99 Ų9938 Ų3860%0.620%0.204SC*.SBendtrans-118.3124.9180-177.20000110.1T285 G286 V290T285-V288 PolarHBondContact OG1-O 3.02Å; G286-V288 PolarHBondContact O-N 3.46Å; G286-V288 VanDerWaalsContact O-N 3.14Å; V288-V290 PolarHBondContact O-N 3.28Å
289P95.5Very high93.8Very high27 Ų2737.5 Ų37.518%0.17520%0.199CC..  trans-72.4126173.328.1-31.1000110.1T298 Y312P289-T298 HydrophobicContact CB-CG2 3.85Å; P289-Y312 HydrophobicContact CB-CD1 3.75Å; P289-Y312 HydrophobicContact CB-CD2 4.27Å; P289-Y312 HydrophobicContact CB-CE1 4Å; P289-Y312 HydrophobicContact CB-CG 3.88Å; P289-Y312 HydrophobicContact CG-CD1 4.49Å; P289-Y312 HydrophobicContact CG-CE1 4.3Å; P289-Y312 HydrophobicContact CG-CE2 4.36Å
290V95.8Very high94.2Very high23 Ų2337.5 Ų37.514%0.13920%0.199CC..  trans-99.4115.1178.5178.80000109.3T285 V288 T298 L314 D427 Y428T285-V290 HydrophobicContact CG2-CB 4.16Å; T285-V290 HydrophobicContact CG2-CG2 3.79Å; V288-V290 PolarHBondContact O-N 3.28Å; V290-T298 VanDerWaalsContact O-CG2 3.24Å; V290-T298 WeakPolarHBondContact O-CG2 3.25Å; V290-T298 PolarHBondContact O-OG1 3.49Å; V290-L314 HydrophobicContact CB-CD1 4.4Å; V290-L314 HydrophobicContact CB-CD2 4.42Å; V290-L314 HydrophobicContact CB-CG 4.27Å; V290-L314 HydrophobicContact CG1-CD1 4.04Å; V290-L314 HydrophobicContact CG1-CD2 4.43Å; V290-L314 HydrophobicContact CG1-CG 4.38Å; V290-L314 VanDerWaalsContact O-CD2 3.29Å; V290-L314 WeakPolarHBondContact O-CD2 3.39Å; V290-D427 WeakPolarHBondContact CG1-O 3.46Å; V290-Y428 HydrophobicContact CG2-CD2 3.64Å; V290-Y428 HydrophobicContact CG2-CE2 3.97Å; V290-Y428 HydrophobicContact CG2-CG 4.45Å
291S93.1Very high94.5Very high79 Ų7936.2 Ų36.255%0.55219%0.193SC*.  trans-75.3123.2174-57.30000111.1T298S291-T298 WeakPolarHBondContact CA-OG1 3.41Å
292S91.7Very high94.7Very high30 Ų3036.8 Ų36.821%0.2120%0.195CC..  trans-69.1145.9176.1-1770000112.9H294 G295 L296 D427S292-H294 PolarHBondContact OG-N 2.79Å; S292-G295 PolarHBondContact OG-N 3.37Å; S292-L296 WeakPolarHBondContact CB-O 3.5Å; S292-L296 WeakPolarHBondContact OG-CB 3.34Å; S292-L296 PolarHBondContact OG-N 3.06Å; S292-D427 VanDerWaalsContact CA-OD2 3.26Å; S292-D427 WeakPolarHBondContact CA-OD2 3.39Å; S292-D427 VanDerWaalsContact CB-OD2 3.25Å; S292-D427 WeakPolarHBondContact CB-OD2 3.43Å; S292-D427 PolarHBondContact OG-OD2 2.96Å
293R87.5Confident94.7Very high230 Ų23037.6 Ų37.687%0.86820%0.199SC*.SBendtrans-108.3-6.9163.8-60.3-174.4-177.9-163.41.6112.9D427R293-D427 PolarHBondContact N-OD1 3Å; R293-D427 PolarHBondContact N-OD2 3.17Å
294H88.9Confident94.7Very high73 Ų7339.4 Ų39.434%0.33821%0.208SC..SBendtrans-113.925.5-175.1-57.286.2000112.2S292 L296 P383 A423 V426 D427S292-H294 PolarHBondContact OG-N 2.79Å; H294-L296 VanDerWaalsContact C-N 3.34Å; H294-L296 PolarHBondContact O-N 3.15Å; H294-P383 WeakPolarHBondContact O-CA 3.43Å; H294-A423 HydrophobicContact CB-CB 3.85Å; H294-V426 WeakPolarHBondContact CE1-CG1 3.31Å; H294-D427 IonicContact CE1-OD1 2.94Å; H294-D427 IonicContact CG-OD1 3.89Å; H294-D427 PolarHBondContact N-OD2 3.46Å; H294-D427 IonicContact ND1-OD1 2.68Å; H294-D427 PolarHBondContact ND1-OD1 2.98Å; H294-D427 IonicContact ND1-OD2 3.32Å
295G84.3Confident94.7Very high30 Ų3039.9 Ų39.931%0.30921%0.214SC..SBendtrans73.817.2173.200000115.4S292 A382 W385S292-G295 PolarHBondContact OG-N 3.37Å; G295-A382 WeakPolarHBondContact O-CB 3.33Å; G295-W385 WeakPolarHBondContact O-CZ2 3.29Å; G295-W385 PolarHBondContact O-NE1 2.75Å
296L92.8Very high94.6Very high11 Ų1143.2 Ų43.26%0.05824%0.235CC..PPolyproline II helixtrans-77.7159.7169.4-55.4170.9000110.4S292 H294 L314 E315 A382 I420 A423 M424S292-L296 WeakPolarHBondContact CB-O 3.5Å; S292-L296 WeakPolarHBondContact OG-CB 3.34Å; S292-L296 PolarHBondContact OG-N 3.06Å; H294-L296 VanDerWaalsContact C-N 3.34Å; H294-L296 PolarHBondContact O-N 3.15Å; L296-L314 HydrophobicContact CB-CD2 4.29Å; L296-L314 HydrophobicContact CD1-CD1 4.39Å; L296-E315 WeakPolarHBondContact CB-O 3.33Å; L296-A382 HydrophobicContact CD2-CB 4.12Å; L296-I420 HydrophobicContact CD2-CG2 3.95Å; L296-A423 HydrophobicContact CD1-CB 4.09Å; L296-A423 HydrophobicContact CD2-CB 4.37Å; L296-A423 HydrophobicContact CG-CB 4.31Å; L296-M424 HydrophobicContact CD1-CB 4.15Å; L296-M424 HydrophobicContact CD1-CG 3.46Å; L296-M424 VanDerWaalsContact CD1-CG 3.46Å; L296-M424 HydrophobicContact CD2-CG 4.45Å
297L94.4Very high94.6Very high10 Ų1050.4 Ų50.45%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-87.9139.3175-51.4179.3000109.8L138 P139 F144 L314 E315L138-L297 HydrophobicContact CD2-CB 4.08Å; L138-L297 HydrophobicContact CD2-CD1 4.22Å; L138-L297 HydrophobicContact CD2-CD2 4.09Å; L138-L297 HydrophobicContact CD2-CG 4.36Å; P139-L297 VanDerWaalsContact CD-CD2 3.45Å; P139-L297 HydrophobicContact CG-CD2 4.2Å; F144-L297 HydrophobicContact CE1-CD1 4.22Å; F144-L297 HydrophobicContact CZ-CD1 4.06Å; F144-L297 HydrophobicContact CZ-CD2 3.97Å; L297-L314 WeakPolarHBondContact O-CA 3.43Å; L297-E315 HydrophobicContact CB-CB 4.25Å; L297-E315 PolarHBondContact N-O 2.86Å; L297-E315 PolarHBondContact O-N 3.39Å
298T97.2Very high94.5Very high7 Ų748 Ų484%0.04326%0.263CS..EExtended strand (participates in β ladder)trans-93.7130.2163.3-46.80000107.9G137 L205 P289 V290 S291G137-T298 WeakPolarHBondContact CA-O 3.45Å; G137-T298 PolarHBondContact O-N 2.94Å; L205-T298 HydrophobicContact CD1-CG2 3.81Å; P289-T298 HydrophobicContact CB-CG2 3.85Å; V290-T298 VanDerWaalsContact O-CG2 3.24Å; V290-T298 WeakPolarHBondContact O-CG2 3.25Å; V290-T298 PolarHBondContact O-OG1 3.49Å; S291-T298 WeakPolarHBondContact CA-OG1 3.41Å
299T98.4Very high94.7Very high0 Ų046.2 Ų46.20%025%0.254CS..EExtended strand (participates in β ladder)trans-145.4164.1-174.8-165.40000111.1S198 R199 Q257 Y312 A313 E315S198-T299 PolarHBondContact OG-OG1 3.42Å; R199-T299 WeakPolarHBondContact CD-OG1 3.34Å; R199-T299 VanDerWaalsContact NH1-CB 3.34Å; R199-T299 PolarHBondContact NH1-OG1 3.39Å; Q257-T299 PolarHBondContact NE2-OG1 3.19Å; T299-Y312 CarbonylContact O-C 3.43Å; T299-Y312 WeakPolarHBondContact O-CA 3.31Å; T299-Y312 WeakPolarHBondContact O-CB 3.3Å; T299-A313 HydrophobicContact CG2-CB 4Å; T299-A313 PolarHBondContact N-O 2.82Å; T299-A313 PolarHBondContact O-N 3.36Å; T299-E315 HydrophobicContact CG2-CB 4.26Å
300V98.7Very high94.8Very high0 Ų045.8 Ų45.80%025%0.251CS..EExtended strand (participates in β ladder)trans-75.6135.2167.4-1790000108.1V194 T195 S198 M203 L205 L208 Q257 P310 Y312V194-V300 HydrophobicContact CB-CG1 4.15Å; V194-V300 HydrophobicContact CG2-CG1 3.82Å; T195-V300 HydrophobicContact CG2-CB 4.39Å; T195-V300 HydrophobicContact CG2-CG1 4.06Å; S198-V300 PolarHBondContact OG-N 2.99Å; M203-V300 HydrophobicContact CE-CG2 3.79Å; L205-V300 HydrophobicContact CD2-CG2 3.89Å; L208-V300 HydrophobicContact CD2-CG2 3.88Å; Q257-V300 VanDerWaalsContact CG-O 3.3Å; Q257-V300 WeakPolarHBondContact CG-O 3.47Å; Q257-V300 PolarHBondContact NE2-O 3.46Å; V300-P310 HydrophobicContact CG1-CB 4.5Å; V300-Y312 HydrophobicContact CG2-CD1 4.22Å; V300-Y312 HydrophobicContact CG2-CE1 4.1Å
301A98.5Very high94.9Very high0 Ų045.6 Ų45.60%025%0.25CS..EExtended strand (participates in β ladder)trans-85.5-49.1174.400000111.4T195 Q257 L260 C311 A313T195-A301 WeakPolarHBondContact CG2-O 3.5Å; Q257-A301 VanDerWaalsContact CB-O 3.29Å; Q257-A301 WeakPolarHBondContact CB-O 3.46Å; Q257-A301 WeakPolarHBondContact CG-O 3.46Å; L260-A301 HydrophobicContact CD2-CB 3.76Å; A301-C311 HydrophobicContact CB-CB 4.16Å; A301-C311 WeakPolarHBondContact CB-O 3.39Å; A301-C311 PolarHBondContact N-O 3.26Å; A301-A313 HydrophobicContact CB-CB 4.01Å
302Y98.4Very high95.2Very high13 Ų1342.4 Ų42.45%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-174.5162.8173.949.5-97000110.1V261 Y266 N284 I304 C311 M476V261-Y302 HydrophobicContact CG2-CD1 3.66Å; V261-Y302 HydrophobicContact CG2-CE1 4.38Å; V261-Y302 HydrophobicContact CG2-CG 4.12Å; Y266-Y302 WeakPolarHBondContact CA-OH 3.48Å; Y266-Y302 PolarHBondContact O-OH 3.14Å; N284-Y302 PolarHBondContact ND2-OH 3.37Å; N284-Y302 VanDerWaalsContact ND2-OH 3.07Å; Y302-I304 HydrophobicContact CD2-CD1 4.06Å; Y302-I304 HydrophobicContact CD2-CG1 4.05Å; Y302-I304 HydrophobicContact CE2-CD1 4.02Å; Y302-C311 HydrophobicContact CD2-CB 4.01Å; Y302-C311 HydrophobicContact CE1-CB 4.15Å; Y302-C311 HydrophobicContact CE2-CB 3.61Å; Y302-C311 VanDerWaalsContact CE2-SG 3.51Å; Y302-C311 HydrophobicContact CG-CB 4.44Å; Y302-C311 PolarHBondContact N-O 3.39Å; Y302-C311 PolarHBondContact O-N 2.84Å; Y302-M476 HydrophobicContact CD2-CE 4.2Å; Y302-M476 HydrophobicContact CG-CE 3.99Å
303Q98.1Very high95.5Very high17 Ų1741 Ų418%0.07922%0.216CC..  trans-135.3120.9165.1-173.6-171.715.800108.7V194 C231 G305 P306 N308 P310V194-Q303 HydrophobicContact CG2-CB 3.73Å; C231-Q303 WeakPolarHBondContact CA-O 3.46Å; C231-Q303 VanDerWaalsContact CB-O 3.31Å; C231-Q303 WeakPolarHBondContact CB-O 3.21Å; C231-Q303 PolarHBondContact N-O 2.73Å; C231-Q303 PolarHBondContact SG-N 2.89Å; Q303-G305 PolarHBondContact O-N 3.44Å; Q303-P306 PolarHBondContact NE2-O 3.3Å; Q303-N308 WeakPolarHBondContact CG-O 3.32Å; Q303-N308 PolarHBondContact NE2-O 2.91Å; Q303-P310 HydrophobicContact CB-CB 4.31Å; Q303-P310 HydrophobicContact CG-CB 4.42Å
304I96.7Very high95.9Very high37 Ų3730 Ų3019%0.1918%0.175CC..SBendtrans-92.788.5-175.7-59.6156.9000108.8Y302 N308 M476 F486Y302-I304 HydrophobicContact CD2-CD1 4.06Å; Y302-I304 HydrophobicContact CD2-CG1 4.05Å; Y302-I304 HydrophobicContact CE2-CD1 4.02Å; I304-N308 WeakPolarHBondContact O-CB 3.39Å; I304-N308 PolarHBondContact O-ND2 2.84Å; I304-M476 HydrophobicContact CD1-CE 4.28Å; I304-M476 HydrophobicContact CG1-CE 3.66Å; I304-M476 HydrophobicContact CG1-SD 3.83Å; I304-F486 HydrophobicContact CD1-CB 3.98Å; I304-F486 HydrophobicContact CD1-CD1 4.11Å; I304-F486 HydrophobicContact CD1-CD2 3.63Å; I304-F486 HydrophobicContact CD1-CE2 4.09Å; I304-F486 HydrophobicContact CD1-CG 3.64Å; I304-F486 HydrophobicContact CG1-CD2 4.07Å; I304-F486 HydrophobicContact CG1-CE2 4.15Å; I304-F486 HydrophobicContact CG2-CD2 3.93Å; I304-F486 HydrophobicContact CG2-CE2 4.25Å
305G96.3Very high96.3Very high11 Ų1126.6 Ų26.611%0.11316%0.159CC..SBendtrans82.1150.9-177.200000113.6S230 S232 Q303 N307 N308S230-G305 VanDerWaalsContact CB-C 3.43Å; S230-G305 WeakPolarHBondContact OG-CA 3.29Å; S230-G305 PolarHBondContact OG-N 3.22Å; S232-G305 WeakPolarHBondContact O-CA 3.44Å; S232-G305 PolarHBondContact O-N 3.01Å; Q303-G305 PolarHBondContact O-N 3.44Å; G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 3.45Å; G305-N308 PolarHBondContact O-N 3.01Å
306P95.3Very high96.7Very high75 Ų7525.2 Ų25.249%0.48715%0.145SC..THydrogen-bonded Turntrans-69.1-25-164.425.3-35.6000114.4S230 Q303S230-P306 WeakPolarHBondContact OG-CD 3.31Å; Q303-P306 PolarHBondContact NE2-O 3.3Å
307N95Very high96.4Very high159 Ų15925.6 Ų25.685%0.8515%0.148SC*.THydrogen-bonded Turntrans-93.7-2.2-176.4-62.8-33.1000113.9G305G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 3.45Å
308N95.4Very high95.9Very high77 Ų7725.3 Ų25.341%0.41215%0.147SC..SBendtrans-96.6151.1177.3-71.8-50.3000110.6Q303 I304 G305Q303-N308 WeakPolarHBondContact CG-O 3.32Å; Q303-N308 PolarHBondContact NE2-O 2.91Å; I304-N308 WeakPolarHBondContact O-CB 3.39Å; I304-N308 PolarHBondContact O-ND2 2.84Å; G305-N308 PolarHBondContact O-N 3.01Å
309P96.7Very high94.9Very high62 Ų6226.5 Ų26.540%0.40316%0.158SC..PPolyproline II helixtrans-62.3144.217626.6-34.5000111.1E287E287-P309 VanDerWaalsContact CD-CG 3.45Å; E287-P309 HydrophobicContact CG-CB 4.02Å; E287-P309 HydrophobicContact CG-CG 4.13Å; E287-P309 WeakPolarHBondContact OE1-CG 3.25Å
310P97.9Very high94.3Very high18 Ų1827.4 Ų27.412%0.11716%0.163CC..PPolyproline II helixtrans-70.4146.6171.432.8-38.4000110.8L208 E287 V300 Q303 Y312L208-P310 HydrophobicContact CD1-CB 3.98Å; L208-P310 HydrophobicContact CD1-CG 3.88Å; E287-P310 WeakPolarHBondContact CA-O 3.26Å; V300-P310 HydrophobicContact CG1-CB 4.5Å; Q303-P310 HydrophobicContact CB-CB 4.31Å; Q303-P310 HydrophobicContact CG-CB 4.42Å; P310-Y312 HydrophobicContact CB-CE2 4.32Å; P310-Y312 HydrophobicContact CG-CE2 3.74Å; P310-Y312 WeakPolarHBondContact CG-OH 3.25Å
311C98Very high93.9Very high18 Ų1827.4 Ų27.412%0.12216%0.163CC..EExtended strand (participates in β ladder)trans-93.3145.1159.8-73.10000109.7G286 A301 Y302G286-C311 WeakPolarHBondContact O-CA 3.15Å; A301-C311 HydrophobicContact CB-CB 4.16Å; A301-C311 WeakPolarHBondContact CB-O 3.39Å; A301-C311 PolarHBondContact N-O 3.26Å; Y302-C311 HydrophobicContact CD2-CB 4.01Å; Y302-C311 HydrophobicContact CE1-CB 4.15Å; Y302-C311 HydrophobicContact CE2-CB 3.61Å; Y302-C311 VanDerWaalsContact CE2-SG 3.51Å; Y302-C311 HydrophobicContact CG-CB 4.44Å; Y302-C311 PolarHBondContact N-O 3.39Å; Y302-C311 PolarHBondContact O-N 2.84Å
312Y98.5Very high93.4Very high13 Ų1327.9 Ų27.95%0.05117%0.168CC..EExtended strand (participates in β ladder)trans-110.9166.2177.4-60-88.5000111.5L205 T285 G286 E287 P289 T299 V300 P310L205-Y312 HydrophobicContact CB-CE1 4.26Å; L205-Y312 PolarHBondContact O-OH 3.29Å; T285-Y312 PolarHBondContact N-O 3.19Å; T285-Y312 WeakPolarHBondContact OG1-CB 3.29Å; T285-Y312 PolarHBondContact OG1-O 2.87Å; G286-Y312 PolarHBondContact O-N 2.88Å; E287-Y312 WeakPolarHBondContact O-CE2 3.4Å; P289-Y312 HydrophobicContact CB-CD1 3.75Å; P289-Y312 HydrophobicContact CB-CD2 4.27Å; P289-Y312 HydrophobicContact CB-CE1 4Å; P289-Y312 HydrophobicContact CB-CG 3.88Å; P289-Y312 HydrophobicContact CG-CD1 4.49Å; P289-Y312 HydrophobicContact CG-CE1 4.3Å; P289-Y312 HydrophobicContact CG-CE2 4.36Å; T299-Y312 CarbonylContact O-C 3.43Å; T299-Y312 WeakPolarHBondContact O-CA 3.31Å; T299-Y312 WeakPolarHBondContact O-CB 3.3Å; V300-Y312 HydrophobicContact CG2-CD1 4.22Å; V300-Y312 HydrophobicContact CG2-CE1 4.1Å; P310-Y312 HydrophobicContact CB-CE2 4.32Å; P310-Y312 HydrophobicContact CG-CE2 3.74Å; P310-Y312 WeakPolarHBondContact CG-OH 3.25Å
313A98.2Very high92.9Very high0 Ų028 Ų280%017%0.173CC..EExtended strand (participates in β ladder)trans-137.2154.2171.100000112.3C283 T299 A301C283-A313 CarbonylContact O-C 3.53Å; C283-A313 WeakPolarHBondContact O-CA 3.1Å; C283-A313 VanDerWaalsContact O-CB 3.25Å; C283-A313 WeakPolarHBondContact O-CB 3.38Å; T299-A313 HydrophobicContact CG2-CB 4Å; T299-A313 PolarHBondContact N-O 2.82Å; T299-A313 PolarHBondContact O-N 3.36Å; A301-A313 HydrophobicContact CB-CB 4.01Å
314L97.1Very high92.6Very high0 Ų027.1 Ų27.10%017%0.169CC..EExtended strand (participates in β ladder)trans-87.5137.5152.3-77.3173.8000108.7L282 C283 T285 V290 L296 L297 M424 D427L282-L314 WeakPolarHBondContact CA-O 3.07Å; C283-L314 PolarHBondContact N-O 2.89Å; C283-L314 PolarHBondContact O-N 2.81Å; T285-L314 HydrophobicContact CG2-CB 4.47Å; T285-L314 HydrophobicContact CG2-CD1 4.5Å; T285-L314 HydrophobicContact CG2-CG 4.09Å; V290-L314 HydrophobicContact CB-CD1 4.4Å; V290-L314 HydrophobicContact CB-CD2 4.42Å; V290-L314 HydrophobicContact CB-CG 4.27Å; V290-L314 HydrophobicContact CG1-CD1 4.04Å; V290-L314 HydrophobicContact CG1-CD2 4.43Å; V290-L314 HydrophobicContact CG1-CG 4.38Å; V290-L314 VanDerWaalsContact O-CD2 3.29Å; V290-L314 WeakPolarHBondContact O-CD2 3.39Å; L296-L314 HydrophobicContact CB-CD2 4.29Å; L296-L314 HydrophobicContact CD1-CD1 4.39Å; L297-L314 WeakPolarHBondContact O-CA 3.43Å; L314-M424 HydrophobicContact CB-CE 4.42Å; L314-M424 HydrophobicContact CB-CG 4.45Å; L314-M424 WeakPolarHBondContact O-CE 3.37Å; L314-D427 HydrophobicContact CD1-CB 3.82Å
315E96Very high92.5Very high0 Ų025.7 Ų25.70%016%0.162CC..EExtended strand (participates in β ladder)trans-126.5136.6177.3176.5178.9140.900111.3R88 R199 I281 L282 L296 L297 T299R88-E315 IonicContact CZ-OE1 3.23Å; R88-E315 IonicContact CZ-OE2 3.36Å; R88-E315 IonicContact NH1-OE1 3.83Å; R88-E315 PolarHBondContact NH1-OE1 3.46Å; R88-E315 IonicContact NH1-OE2 2.84Å; R88-E315 PolarHBondContact NH1-OE2 3.01Å; R88-E315 IonicContact NH2-OE1 2.86Å; R88-E315 PolarHBondContact NH2-OE1 2.89Å; R88-E315 IonicContact NH2-OE2 2.88Å; R199-E315 IonicContact CZ-OE1 2.61Å; R199-E315 IonicContact CZ-OE2 2.84Å; R199-E315 VanDerWaalsContact NH1-CD 3.32Å; R199-E315 IonicContact NH1-OE1 2.74Å; R199-E315 PolarHBondContact NH1-OE1 2.98Å; R199-E315 IonicContact NH1-OE2 3.19Å; R199-E315 PolarHBondContact NH1-OE2 3.26Å; R199-E315 IonicContact NH2-OE1 3.7Å; R199-E315 PolarHBondContact NH2-OE1 3.15Å; R199-E315 IonicContact NH2-OE2 3.8Å; I281-E315 VanDerWaalsContact O-CA 3.32Å; I281-E315 WeakPolarHBondContact O-CA 3.5Å; L282-E315 HydrophobicContact CD1-CB 4.41Å; L282-E315 HydrophobicContact CD1-CG 3.86Å; L282-E315 HydrophobicContact CG-CB 4.13Å; L282-E315 HydrophobicContact CG-CG 4.14Å; L296-E315 WeakPolarHBondContact CB-O 3.33Å; L297-E315 HydrophobicContact CB-CB 4.25Å; L297-E315 PolarHBondContact N-O 2.86Å; L297-E315 PolarHBondContact O-N 3.39Å; T299-E315 HydrophobicContact CG2-CB 4.26Å
316G92.7Very high92.2Very high2 Ų230.1 Ų30.12%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-133.6149.417200000110.7I281I281-G316 PolarHBondContact N-O 3.22Å; I281-G316 PolarHBondContact O-N 3.12Å
317S86.2Confident92.1Very high18 Ų1829.6 Ų29.613%0.12616%0.163CC..EExtended strand (participates in β ladder)trans-124.3122.5-173.1-58.50000111.6G279 F280 A319G279-S317 CarbonylContact O-C 3.45Å; G279-S317 VanDerWaalsContact O-CA 3.32Å; G279-S317 WeakPolarHBondContact O-CA 3.46Å; F280-S317 WeakPolarHBondContact CD1-OG 3.44Å; F280-S317 WeakPolarHBondContact CE1-OG 3.42Å; S317-A319 PolarHBondContact O-N 3.43Å
318V84Confident92.1Very high4 Ų422.1 Ų22.12%0.02412%0.123CC..EExtended strand (participates in β ladder)trans-79111.9165.2177.80000107.2G278 G279 V320 A321 Q416 I420G278-V318 CarbonylContact C-O 3.5Å; G278-V318 VanDerWaalsContact CA-O 3.23Å; G278-V318 WeakPolarHBondContact CA-O 3.28Å; G279-V318 PolarHBondContact N-O 3.21Å; G279-V318 PolarHBondContact O-N 3.48Å; V318-V320 VanDerWaalsContact C-N 3.3Å; V318-V320 PolarHBondContact O-N 3.04Å; V318-A321 HydrophobicContact CG1-CB 4.34Å; V318-Q416 HydrophobicContact CB-CB 4.47Å; V318-Q416 HydrophobicContact CG1-CB 3.75Å; V318-Q416 HydrophobicContact CG1-CG 4.35Å; V318-Q416 HydrophobicContact CG2-CB 4.01Å; V318-I420 HydrophobicContact CB-CD1 4.46Å; V318-I420 HydrophobicContact CG2-CD1 3.57Å
319A77.2Confident92.1Very high32 Ų3221.1 Ų21.126%0.26412%0.116SC..SBendtrans-55.1-46.1-175.900000112.4S317 Y381S317-A319 PolarHBondContact O-N 3.43Å; A319-Y381 HydrophobicContact CB-CD2 3.44Å; A319-Y381 VanDerWaalsContact CB-CD2 3.44Å; A319-Y381 HydrophobicContact CB-CE2 3.49Å; A319-Y381 VanDerWaalsContact CB-CE2 3.49Å; A319-Y381 HydrophobicContact CB-CG 4.05Å
320V84.5Confident91.8Very high19 Ų1923.4 Ų23.412%0.11513%0.125CC..  trans-132.1108.9-173.8-171.50000109.9V318 L324 P375 F377 Q416V318-V320 VanDerWaalsContact C-N 3.3Å; V318-V320 PolarHBondContact O-N 3.04Å; V320-L324 HydrophobicContact CG1-CB 3.78Å; V320-L324 VanDerWaalsContact CG1-N 3.29Å; V320-P375 HydrophobicContact CB-CB 3.97Å; V320-P375 HydrophobicContact CB-CG 4.1Å; V320-P375 HydrophobicContact CG1-CB 4.05Å; V320-P375 VanDerWaalsContact CG2-O 3.29Å; V320-P375 WeakPolarHBondContact CG2-O 3.33Å; V320-F377 HydrophobicContact CG1-CD2 4Å; V320-F377 HydrophobicContact CG1-CE2 3.91Å; V320-F377 HydrophobicContact CG2-CD2 3.98Å; V320-Q416 PolarHBondContact O-NE2 3.27Å
321A90.4Very high91.5Very high0 Ų028 Ų280%015%0.149CC..SBendtrans-114.8-96.8173.500000109.9T277 V318 G323 L324 V413 M442T277-A321 CarbonylContact O-C 3.54Å; T277-A321 WeakPolarHBondContact O-CA 3.12Å; T277-A321 PolarHBondContact O-N 3.15Å; V318-A321 HydrophobicContact CG1-CB 4.34Å; A321-G323 PolarHBondContact O-N 2.9Å; A321-G323 VanDerWaalsContact O-N 3.11Å; A321-L324 WeakPolarHBondContact O-CB 3.29Å; A321-L324 PolarHBondContact O-N 2.92Å; A321-V413 HydrophobicContact CB-CG1 3.79Å; A321-V413 HydrophobicContact CB-CG2 4.29Å; A321-M442 HydrophobicContact CB-SD 3.95Å
322G88.4Confident91.3Very high10 Ų1031 Ų3110%0.10316%0.163CC..Hα-helixtrans-64.5-14.5174.900000113.9G276 T277 L324 M325 R326 M442G276-G322 VanDerWaalsContact O-CA 3.25Å; G276-G322 WeakPolarHBondContact O-CA 3.3Å; G276-G322 PolarHBondContact O-N 3.26Å; T277-G322 PolarHBondContact O-N 3.06Å; T277-G322 VanDerWaalsContact O-N 3.15Å; G322-L324 VanDerWaalsContact C-N 3.34Å; G322-M325 WeakPolarHBondContact O-CB 3.32Å; G322-M325 PolarHBondContact O-N 2.86Å; G322-R326 PolarHBondContact O-N 3.07Å; G322-M442 PolarHBondContact N-SD 2.52Å
323G87.4Confident91.1Very high15 Ų1533.1 Ų33.116%0.15519%0.188CC..Hα-helixtrans-63-36.3168.600000113T277 A321 M325 R326 W327T277-G323 PolarHBondContact O-N 3.32Å; A321-G323 PolarHBondContact O-N 2.9Å; A321-G323 VanDerWaalsContact O-N 3.11Å; G323-M325 VanDerWaalsContact C-N 3.31Å; G323-M325 PolarHBondContact O-N 3.15Å; G323-R326 PolarHBondContact O-N 2.98Å; G323-W327 WeakPolarHBondContact O-CB 3.21Å; G323-W327 PolarHBondContact O-N 2.94Å
324L93.4Very high90.9Very high0 Ų034.2 Ų34.20%019%0.194CC..Hα-helixtrans-66.3-37.9176.2177.159.2000110.8V320 A321 G322 W327 L328 I373 P375 F377V320-L324 HydrophobicContact CG1-CB 3.78Å; V320-L324 VanDerWaalsContact CG1-N 3.29Å; A321-L324 WeakPolarHBondContact O-CB 3.29Å; A321-L324 PolarHBondContact O-N 2.92Å; G322-L324 VanDerWaalsContact C-N 3.34Å; L324-W327 HydrophobicContact CD1-CE3 3.87Å; L324-W327 HydrophobicContact CD1-CZ3 4.33Å; L324-W327 PolarHBondContact O-N 3Å; L324-L328 WeakPolarHBondContact O-CG 3.47Å; L324-L328 PolarHBondContact O-N 3.34Å; L324-I373 HydrophobicContact CD1-CG2 4.26Å; L324-I373 HydrophobicContact CD2-CG2 4.18Å; L324-P375 HydrophobicContact CB-CB 4.49Å; L324-P375 HydrophobicContact CD1-CB 4.16Å; L324-P375 HydrophobicContact CD2-CB 4.06Å; L324-P375 HydrophobicContact CD2-CG 4.24Å; L324-P375 HydrophobicContact CG-CB 4.48Å; L324-F377 HydrophobicContact CD1-CE2 4.19Å; L324-F377 HydrophobicContact CD1-CZ 3.77Å
325M94.4Very high90.8Very high6 Ų634.4 Ų34.43%0.0320%0.195CC..Hα-helixtrans-62.7-43.7176-56.7-48.313300111.9G322 G323 L328 Q329 V338 I341 S409 L410 V413 M442G322-M325 WeakPolarHBondContact O-CB 3.32Å; G322-M325 PolarHBondContact O-N 2.86Å; G323-M325 VanDerWaalsContact C-N 3.31Å; G323-M325 PolarHBondContact O-N 3.15Å; M325-L328 PolarHBondContact O-N 3.31Å; M325-Q329 PolarHBondContact O-N 2.76Å; M325-V338 HydrophobicContact CB-CG1 4.19Å; M325-I341 HydrophobicContact CB-CD1 3.58Å; M325-I341 HydrophobicContact CG-CD1 3.8Å; M325-I341 HydrophobicContact SD-CD1 3.79Å; M325-I341 HydrophobicContact SD-CG2 4.42Å; M325-S409 WeakPolarHBondContact CE-O 3.49Å; M325-L410 HydrophobicContact CE-CD2 4.03Å; M325-L410 HydrophobicContact SD-CD2 4.02Å; M325-V413 HydrophobicContact CE-CG2 4.13Å; M325-M442 HydrophobicContact CE-CE 4.08Å; M325-M442 HydrophobicContact CG-CE 4.22Å
326R90.2Very high90.6Very high104 Ų10443.3 Ų43.339%0.39223%0.234SC..Hα-helixtrans-68.1-38.4174.1-64-165.6-138.2-177.111.8112.4T277 G322 G323 L328 Q329 D330 V338T277-R326 PolarHBondContact OG1-NH2 2.84Å; G322-R326 PolarHBondContact O-N 3.07Å; G323-R326 PolarHBondContact O-N 2.98Å; R326-L328 VanDerWaalsContact C-N 3.3Å; R326-L328 PolarHBondContact O-N 3.02Å; R326-Q329 CarbonylContact O-C 3.58Å; R326-Q329 WeakPolarHBondContact O-CA 3.37Å; R326-Q329 VanDerWaalsContact O-CB 3.31Å; R326-Q329 WeakPolarHBondContact O-CB 3.27Å; R326-Q329 PolarHBondContact O-N 3.14Å; R326-D330 WeakPolarHBondContact O-CB 3.19Å; R326-D330 PolarHBondContact O-N 2.93Å; R326-V338 HydrophobicContact CG-CG1 4.41Å
327W92.7Very high90.6Very high65 Ų6545 Ų4525%0.24625%0.245CC..Hα-helixtrans-60.7-38.5175.9179.484.5000112.6G323 L324 Q329 N331 L332 F377 I393G323-W327 WeakPolarHBondContact O-CB 3.21Å; G323-W327 PolarHBondContact O-N 2.94Å; L324-W327 HydrophobicContact CD1-CE3 3.87Å; L324-W327 HydrophobicContact CD1-CZ3 4.33Å; L324-W327 PolarHBondContact O-N 3Å; W327-Q329 PolarHBondContact O-N 3.04Å; W327-N331 VanDerWaalsContact CD1-CG 3.46Å; W327-N331 VanDerWaalsContact CD1-OD1 3.25Å; W327-N331 HydrophobicContact CG-CB 4.19Å; W327-N331 WeakPolarHBondContact O-CB 3.45Å; W327-N331 PolarHBondContact O-N 3.17Å; W327-L332 HydrophobicContact CE3-CD1 4.18Å; W327-L332 HydrophobicContact CE3-CG 4.35Å; W327-L332 HydrophobicContact CH2-CD1 3.41Å; W327-L332 VanDerWaalsContact CH2-CD1 3.41Å; W327-L332 HydrophobicContact CH2-CD2 4.34Å; W327-L332 HydrophobicContact CH2-CG 3.88Å; W327-L332 HydrophobicContact CZ2-CD1 4.12Å; W327-L332 HydrophobicContact CZ2-CD2 4.29Å; W327-L332 HydrophobicContact CZ2-CG 4.09Å; W327-L332 HydrophobicContact CZ3-CD1 3.43Å; W327-L332 VanDerWaalsContact CZ3-CD1 3.43Å; W327-L332 HydrophobicContact CZ3-CG 4Å; W327-L332 PolarHBondContact O-N 3.03Å; W327-F377 HydrophobicContact CB-CE2 4.13Å; W327-F377 HydrophobicContact CB-CZ 4.37Å; W327-F377 HydrophobicContact CD2-CE1 4.28Å; W327-F377 HydrophobicContact CD2-CE2 4.2Å; W327-F377 AromaticContact CD2-CZ 3.57Å; W327-F377 HydrophobicContact CD2-CZ 3.57Å; W327-F377 AromaticContact CE2-CZ 3.87Å; W327-F377 AromaticContact CE3-CZ 3.84Å; W327-F377 HydrophobicContact CE3-CZ 3.84Å; W327-F377 AromaticContact CG-CE2 3.95Å; W327-F377 HydrophobicContact CG-CE2 3.95Å; W327-F377 AromaticContact CG-CZ 3.82Å; W327-F377 HydrophobicContact CG-CZ 3.82Å; W327-F377 HydrophobicContact CZ2-CE1 4.28Å; W327-F377 HydrophobicContact CZ2-CZ 4.36Å; W327-F377 HydrophobicContact CZ3-CZ 4.3Å; W327-I393 HydrophobicContact CH2-CD1 4.49Å
328L94.9Very high90.6Very high1 Ų147 Ų471%0.00526%0.256CS..Hα-helixtrans-61.6-31.2171.5-70.9178000113.4L324 M325 R326 L332 G333 I334 I335 V406 S409L324-L328 WeakPolarHBondContact O-CG 3.47Å; L324-L328 PolarHBondContact O-N 3.34Å; M325-L328 PolarHBondContact O-N 3.31Å; R326-L328 VanDerWaalsContact C-N 3.3Å; R326-L328 PolarHBondContact O-N 3.02Å; L328-L332 HydrophobicContact CD2-CD1 4.33Å; L328-G333 PolarHBondContact O-N 3.17Å; L328-I334 HydrophobicContact CD2-CD1 3.85Å; L328-I334 PolarHBondContact O-N 3.26Å; L328-I335 HydrophobicContact CB-CD1 4.31Å; L328-I335 HydrophobicContact CB-CG1 4.27Å; L328-V406 HydrophobicContact CD1-CG2 4.17Å; L328-S409 WeakPolarHBondContact CD1-OG 3.44Å
329Q94.4Very high90.9Very high56 Ų5653.4 Ų53.426%0.26229%0.291SS..Hα-helixtrans-79.3-63.7177.5-174.7-177.7-2.800110.9M325 R326 W327 G333 I335 K336M325-Q329 PolarHBondContact O-N 2.76Å; R326-Q329 CarbonylContact O-C 3.58Å; R326-Q329 WeakPolarHBondContact O-CA 3.37Å; R326-Q329 VanDerWaalsContact O-CB 3.31Å; R326-Q329 WeakPolarHBondContact O-CB 3.27Å; R326-Q329 PolarHBondContact O-N 3.14Å; W327-Q329 PolarHBondContact O-N 3.04Å; Q329-G333 WeakPolarHBondContact O-CA 3.09Å; Q329-G333 PolarHBondContact O-N 2.82Å; Q329-I335 HydrophobicContact CB-CD1 4.12Å; Q329-I335 HydrophobicContact CB-CG1 3.73Å; Q329-I335 HydrophobicContact CG-CG1 4.36Å; Q329-K336 PolarHBondContact NE2-O 2.86Å
330D90.5Very high91.6Very high111 Ų11154.3 Ų54.359%0.59429%0.29SS*.Hα-helixtrans-79-31.2-165.1-57.8-26.1000112.6R326R326-D330 WeakPolarHBondContact O-CB 3.19Å; R326-D330 PolarHBondContact O-N 2.93Å
331N91.4Very high92Very high114 Ų11453.8 Ų53.861%0.6129%0.286SS*.THydrogen-bonded Turntrans-105-36.5-175.9-60.490000113.7W327W327-N331 VanDerWaalsContact CD1-CG 3.46Å; W327-N331 VanDerWaalsContact CD1-OD1 3.25Å; W327-N331 HydrophobicContact CG-CB 4.19Å; W327-N331 WeakPolarHBondContact O-CB 3.45Å; W327-N331 PolarHBondContact O-N 3.17Å
332L94.5Very high92.1Very high81 Ų8156.5 Ų56.542%0.42430%0.299SS..THydrogen-bonded Turntrans-105.3-13.6-179-66-166000115.1W327 L328 I334W327-L332 HydrophobicContact CE3-CD1 4.18Å; W327-L332 HydrophobicContact CE3-CG 4.35Å; W327-L332 HydrophobicContact CH2-CD1 3.41Å; W327-L332 VanDerWaalsContact CH2-CD1 3.41Å; W327-L332 HydrophobicContact CH2-CD2 4.34Å; W327-L332 HydrophobicContact CH2-CG 3.88Å; W327-L332 HydrophobicContact CZ2-CD1 4.12Å; W327-L332 HydrophobicContact CZ2-CD2 4.29Å; W327-L332 HydrophobicContact CZ2-CG 4.09Å; W327-L332 HydrophobicContact CZ3-CD1 3.43Å; W327-L332 VanDerWaalsContact CZ3-CD1 3.43Å; W327-L332 HydrophobicContact CZ3-CG 4Å; W327-L332 PolarHBondContact O-N 3.03Å; L328-L332 HydrophobicContact CD2-CD1 4.33Å; L332-I334 HydrophobicContact CB-CD1 3.87Å; L332-I334 HydrophobicContact CB-CG1 3.99Å; L332-I334 HydrophobicContact CD1-CD1 3.63Å; L332-I334 HydrophobicContact CG-CD1 4.44Å; L332-I334 PolarHBondContact O-N 2.95Å; L332-I334 VanDerWaalsContact O-N 3.1Å
333G95Very high92.3Very high57 Ų5764.3 Ų64.359%0.58833%0.33SS*.  trans59.520.3-177.500000114.6L328 Q329 I335L328-G333 PolarHBondContact O-N 3.17Å; Q329-G333 WeakPolarHBondContact O-CA 3.09Å; Q329-G333 PolarHBondContact O-N 2.82Å; G333-I335 VanDerWaalsContact C-N 3.3Å
334I94.2Very high92.7Very high24 Ų2464.7 Ų64.712%0.12333%0.328CS..SBendtrans-68.5-34.8-178.4-80.9170.1000110.9L328 L332 K402 L405 V406L328-I334 HydrophobicContact CD2-CD1 3.85Å; L328-I334 PolarHBondContact O-N 3.26Å; L332-I334 HydrophobicContact CB-CD1 3.87Å; L332-I334 HydrophobicContact CB-CG1 3.99Å; L332-I334 HydrophobicContact CD1-CD1 3.63Å; L332-I334 HydrophobicContact CG-CD1 4.44Å; L332-I334 PolarHBondContact O-N 2.95Å; L332-I334 VanDerWaalsContact O-N 3.1Å; I334-K402 HydrophobicContact CG2-CB 4.17Å; I334-K402 PolarHBondContact O-NZ 2.87Å; I334-L405 HydrophobicContact CD1-CD1 3.92Å; I334-V406 HydrophobicContact CG2-CG2 3.7Å
335I94Very high92.7Very high4 Ų464.7 Ų64.72%0.02133%0.328CS..  trans-123153.6173.360177.4000110.5L328 Q329 G333 E340 I341 L344 V406L328-I335 HydrophobicContact CB-CD1 4.31Å; L328-I335 HydrophobicContact CB-CG1 4.27Å; Q329-I335 HydrophobicContact CB-CD1 4.12Å; Q329-I335 HydrophobicContact CB-CG1 3.73Å; Q329-I335 HydrophobicContact CG-CG1 4.36Å; G333-I335 VanDerWaalsContact C-N 3.3Å; I335-E340 WeakPolarHBondContact CA-OE1 3.39Å; I335-E340 HydrophobicContact CB-CG 3.75Å; I335-E340 HydrophobicContact CG2-CG 3.64Å; I335-I341 HydrophobicContact CD1-CD1 3.65Å; I335-I341 HydrophobicContact CD1-CG1 3.57Å; I335-L344 HydrophobicContact CG2-CD2 3.86Å; I335-V406 HydrophobicContact CG2-CG2 3.82Å
336K92.6Very high92.5Very high187 Ų18768.5 Ų68.581%0.81335%0.349SS*.SBendtrans-92.3-33.9175-61.5-175.8178.3-174.60112.9Q329 E340Q329-K336 PolarHBondContact NE2-O 2.86Å; K336-E340 WeakPolarHBondContact CA-OE2 3.23Å; K336-E340 WeakPolarHBondContact CB-OE2 3.26Å; K336-E340 PolarHBondContact N-OE2 3.15Å
337S91.7Very high92.6Very high37 Ų3767 Ų6726%0.25935%0.354SS..  trans-139.1150.2171.5-176.90000110.2D339 E340S337-D339 PolarHBondContact O-N 2.84Å; S337-D339 VanDerWaalsContact O-N 3.14Å; S337-D339 PolarHBondContact OG-N 3.33Å; S337-D339 PolarHBondContact OG-OD2 3.21Å; S337-E340 PolarHBondContact N-OE2 2.86Å; S337-E340 WeakPolarHBondContact O-CG 3.22Å; S337-E340 PolarHBondContact O-N 3Å; S337-E340 VanDerWaalsContact O-N 3.08Å
338V87.6Confident92.4Very high59 Ų5964.2 Ų64.236%0.35834%0.344SS..G310 helixtrans-55.9-23.5167.1-66.60000113.2M325 R326 E340 I341M325-V338 HydrophobicContact CB-CG1 4.19Å; R326-V338 HydrophobicContact CG-CG1 4.41Å; V338-E340 PolarHBondContact O-N 3.32Å; V338-I341 HydrophobicContact CB-CD1 3.94Å; V338-I341 HydrophobicContact CG1-CD1 4.15Å; V338-I341 WeakPolarHBondContact O-CB 3.35Å; V338-I341 WeakPolarHBondContact O-CD1 3.45Å; V338-I341 VanDerWaalsContact O-CG1 3.26Å; V338-I341 WeakPolarHBondContact O-CG1 3.38Å; V338-I341 PolarHBondContact O-N 3.49Å
339D88.4Confident91.3Very high140 Ų14067.3 Ų67.375%0.74936%0.364SS*.G310 helixtrans-70.3-15177.6-50.2-59.7000113.5S337S337-D339 PolarHBondContact O-N 2.84Å; S337-D339 VanDerWaalsContact O-N 3.14Å; S337-D339 PolarHBondContact OG-N 3.33Å; S337-D339 PolarHBondContact OG-OD2 3.21Å
340E92.4Very high89.9Confident51 Ų5165.7 Ų65.724%0.23836%0.36CS..G310 helixtrans-84.8-10.4176.892-172.6-125.800113.5I335 K336 S337 V338 K343 L344 K402I335-E340 WeakPolarHBondContact CA-OE1 3.39Å; I335-E340 HydrophobicContact CB-CG 3.75Å; I335-E340 HydrophobicContact CG2-CG 3.64Å; K336-E340 WeakPolarHBondContact CA-OE2 3.23Å; K336-E340 WeakPolarHBondContact CB-OE2 3.26Å; K336-E340 PolarHBondContact N-OE2 3.15Å; S337-E340 PolarHBondContact N-OE2 2.86Å; S337-E340 WeakPolarHBondContact O-CG 3.22Å; S337-E340 PolarHBondContact O-N 3Å; S337-E340 VanDerWaalsContact O-N 3.08Å; V338-E340 PolarHBondContact O-N 3.32Å; E340-K343 PolarHBondContact O-N 2.85Å; E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 PolarHBondContact O-N 3.16Å; E340-K402 IonicContact OE1-NZ 2.82Å
341I92.6Very high88.4Confident7 Ų763.8 Ų63.84%0.03634%0.344CS..Hα-helixtrans-58.9-53.3-170.5-72171.1000111.9M325 I335 V338 K343 L344 A345 V406 L410M325-I341 HydrophobicContact CB-CD1 3.58Å; M325-I341 HydrophobicContact CG-CD1 3.8Å; M325-I341 HydrophobicContact SD-CD1 3.79Å; M325-I341 HydrophobicContact SD-CG2 4.42Å; I335-I341 HydrophobicContact CD1-CD1 3.65Å; I335-I341 HydrophobicContact CD1-CG1 3.57Å; V338-I341 HydrophobicContact CB-CD1 3.94Å; V338-I341 HydrophobicContact CG1-CD1 4.15Å; V338-I341 WeakPolarHBondContact O-CB 3.35Å; V338-I341 WeakPolarHBondContact O-CD1 3.45Å; V338-I341 VanDerWaalsContact O-CG1 3.26Å; V338-I341 WeakPolarHBondContact O-CG1 3.38Å; V338-I341 PolarHBondContact O-N 3.49Å; I341-K343 VanDerWaalsContact C-N 3.28Å; I341-K343 PolarHBondContact O-N 2.85Å; I341-L344 PolarHBondContact O-N 2.85Å; I341-A345 VanDerWaalsContact O-CB 3.28Å; I341-A345 WeakPolarHBondContact O-CB 3.31Å; I341-A345 PolarHBondContact O-N 2.96Å; I341-V406 HydrophobicContact CB-CG1 4.17Å; I341-V406 HydrophobicContact CG1-CG1 4.15Å; I341-V406 HydrophobicContact CG2-CG1 3.75Å; I341-L410 HydrophobicContact CG2-CD1 3.95Å; I341-L410 HydrophobicContact CG2-CD2 3.85Å; I341-L410 HydrophobicContact CG2-CG 4.03Å
342E92.9Very high86.3Confident57 Ų5759.6 Ų59.627%0.26632%0.324SS..Hα-helixtrans-58.1-42.9-179.7-174.8169.2177.600110.9N346 D445 N446 L447E342-N346 VanDerWaalsContact O-CB 3.25Å; E342-N346 WeakPolarHBondContact O-CB 3.14Å; E342-N346 PolarHBondContact O-N 2.76Å; E342-N346 VanDerWaalsContact O-N 3.08Å; E342-N346 PolarHBondContact O-ND2 3.33Å; E342-D445 WeakPolarHBondContact CB-OD2 3.09Å; E342-D445 WeakPolarHBondContact OE2-CA 3.31Å; E342-N446 WeakPolarHBondContact OE1-CB 3.26Å; E342-N446 PolarHBondContact OE1-N 2.96Å; E342-N446 PolarHBondContact OE2-N 3.13Å; E342-L447 HydrophobicContact CG-CB 4.15Å
343K93.9Very high84.1Confident175 Ų17559.1 Ų59.176%0.76133%0.331SS*.Hα-helixtrans-66.5-43.7179.7-176177.3179.71780112E340 I341 S347E340-K343 PolarHBondContact O-N 2.85Å; I341-K343 VanDerWaalsContact C-N 3.28Å; I341-K343 PolarHBondContact O-N 2.85Å; K343-S347 PolarHBondContact O-N 3.05Å; K343-S347 VanDerWaalsContact O-N 3.17Å
344L94.3Very high81.9Confident23 Ų2360.4 Ų60.412%0.1233%0.328CS..Hα-helixtrans-76-37.7-176.9-177.355.5000112.1I335 E340 I341 N346 S347 K402 A403 V406I335-L344 HydrophobicContact CG2-CD2 3.86Å; E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 PolarHBondContact O-N 3.16Å; I341-L344 PolarHBondContact O-N 2.85Å; L344-N346 VanDerWaalsContact C-N 3.3Å; L344-N346 PolarHBondContact O-N 2.89Å; L344-S347 PolarHBondContact O-N 2.79Å; L344-S347 PolarHBondContact O-OG 2.91Å; L344-S347 VanDerWaalsContact O-OG 3.11Å; L344-K402 HydrophobicContact CD2-CD 4.46Å; L344-K402 HydrophobicContact CD2-CG 4.42Å; L344-A403 HydrophobicContact CD1-CB 3.82Å; L344-A403 HydrophobicContact CG-CB 4.31Å; L344-A403 WeakPolarHBondContact O-CB 3.45Å; L344-V406 HydrophobicContact CD2-CG2 3.86Å; L344-V406 HydrophobicContact CG-CG2 4.34Å
345A93.8Very high79.6Confident0 Ų060.7 Ų60.70%033%0.329CS..Hα-helixtrans-70.9-24.5174.100000113.2I341 V406 R407 L410 L447I341-A345 VanDerWaalsContact O-CB 3.28Å; I341-A345 WeakPolarHBondContact O-CB 3.31Å; I341-A345 PolarHBondContact O-N 2.96Å; A345-V406 HydrophobicContact CB-CG1 4.15Å; A345-R407 HydrophobicContact CB-CB 3.99Å; A345-R407 HydrophobicContact CB-CG 4.38Å; A345-R407 PolarHBondContact O-NH1 2.97Å; A345-L410 HydrophobicContact CB-CD1 3.91Å; A345-L447 HydrophobicContact CB-CD2 3.46Å; A345-L447 VanDerWaalsContact CB-CD2 3.46Å
346N91.5Very high77.3Confident85 Ų8569 Ų6946%0.45537%0.365SS..Hα-helixtrans-82.1-14.1169.1-79.5-50.5000113.9E342 L344 V348E342-N346 VanDerWaalsContact O-CB 3.25Å; E342-N346 WeakPolarHBondContact O-CB 3.14Å; E342-N346 PolarHBondContact O-N 2.76Å; E342-N346 VanDerWaalsContact O-N 3.08Å; E342-N346 PolarHBondContact O-ND2 3.33Å; L344-N346 VanDerWaalsContact C-N 3.3Å; L344-N346 PolarHBondContact O-N 2.89Å; N346-V348 PolarHBondContact O-N 2.56Å
347S91.4Very high75.1Confident74 Ų7464.6 Ų64.652%0.51736%0.358SS..  trans-81.86177.890.40000113.8K343 L344K343-S347 PolarHBondContact O-N 3.05Å; K343-S347 VanDerWaalsContact O-N 3.17Å; L344-S347 PolarHBondContact O-N 2.79Å; L344-S347 PolarHBondContact O-OG 2.91Å; L344-S347 VanDerWaalsContact O-OG 3.11Å
348V87.7Confident72.8Confident6 Ų668.7 Ų68.74%0.03638%0.376CS..SBendtrans-73.2130.1173.91750000109.1N346 V366 D367 A403 H404 R407N346-V348 PolarHBondContact O-N 2.56Å; V348-V366 HydrophobicContact CB-CG1 3.66Å; V348-V366 HydrophobicContact CG1-CG1 3.75Å; V348-V366 VanDerWaalsContact O-CG1 3.25Å; V348-V366 WeakPolarHBondContact O-CG1 3.14Å; V348-D367 WeakPolarHBondContact CG1-O 3.5Å; V348-A403 HydrophobicContact CG2-CB 3.66Å; V348-H404 VanDerWaalsContact CG1-CD2 3.44Å; V348-H404 WeakPolarHBondContact CG1-CD2 3.38Å; V348-H404 WeakPolarHBondContact CG1-NE2 3.5Å; V348-R407 HydrophobicContact CG2-CB 4.38Å
349P71.6Confident70.4Confident65 Ų6574 Ų7442%0.42240%0.403SS..PPolyproline II helixtrans-66.4144.7178.526.1-34.1000112.2V354P349-V354 HydrophobicContact CB-CG2 4.25Å; P349-V354 HydrophobicContact CG-CG2 4.12Å
350S66.2Low68Low23 Ų2371.2 Ų71.216%0.16139%0.391CS..PPolyproline II helixtrans-57141.8165.9160.30000110S352 A353 V354 D364S350-S352 PolarHBondContact O-N 2.95Å; S350-S352 VanDerWaalsContact O-N 3.12Å; S350-S352 WeakPolarHBondContact OG-CB 3.32Å; S350-S352 PolarHBondContact OG-N 3.46Å; S350-A353 WeakPolarHBondContact O-CB 3.44Å; S350-A353 PolarHBondContact O-N 3.32Å; S350-V354 PolarHBondContact O-N 2.97Å; S350-D364 PolarHBondContact OG-OD1 3Å
351R59.4Low65.6Low70 Ų7079.5 Ų79.526%0.26443%0.426SS..Hα-helixtrans-54.5-33.2176.3-136.2-166.2-167.3107.521.4112.3V354 I355 F365 D367R351-V354 PolarHBondContact O-N 2.94Å; R351-I355 HydrophobicContact CG-CD1 3.71Å; R351-I355 HydrophobicContact CG-CG1 4.49Å; R351-I355 VanDerWaalsContact O-CB 3.28Å; R351-I355 WeakPolarHBondContact O-CB 3.4Å; R351-I355 WeakPolarHBondContact O-CG1 3.17Å; R351-I355 PolarHBondContact O-N 3.49Å; R351-F365 PolarHBondContact N-O 3.43Å; R351-D367 IonicContact CZ-OD2 2.63Å; R351-D367 IonicContact NH1-OD2 3.94Å; R351-D367 PolarHBondContact NH1-OD2 2.79Å; R351-D367 IonicContact NH2-OD2 3.51Å; R351-D367 PolarHBondContact NH2-OD2 2.99Å; R351-D367 VanDerWaalsContact NH2-OD2 3.17Å
352S46.4Very low63.3Low27 Ų2784.2 Ų84.219%0.18945%0.447CS..Hα-helixtrans-63.2-38.3175.8-177.70000112.7S350 V354 I355 K356 D364S350-S352 PolarHBondContact O-N 2.95Å; S350-S352 VanDerWaalsContact O-N 3.12Å; S350-S352 WeakPolarHBondContact OG-CB 3.32Å; S350-S352 PolarHBondContact OG-N 3.46Å; S352-V354 VanDerWaalsContact C-N 3.26Å; S352-V354 PolarHBondContact O-N 3.3Å; S352-I355 PolarHBondContact O-N 3.48Å; S352-K356 WeakPolarHBondContact O-CB 3.46Å; S352-K356 PolarHBondContact O-N 3.34Å; S352-D364 VanDerWaalsContact CB-CG 3.45Å; S352-D364 WeakPolarHBondContact CB-OD1 3.2Å; S352-D364 PolarHBondContact OG-OD1 2.94Å; S352-D364 PolarHBondContact OG-OD2 2.87Å
353A48.5Very low60.9Low70 Ų7087 Ų8758%0.57946%0.463SS*.Hα-helixtrans-65.7-30.4177.400000112.3S350S350-A353 WeakPolarHBondContact O-CB 3.44Å; S350-A353 PolarHBondContact O-N 3.32Å
354V49.4Very low58.9Low85 Ų8584.3 Ų84.352%0.51546%0.457SS..Hα-helixtrans-83.9-44.5175.6-173.50000111.3P349 S350 R351 S352 S357P349-V354 HydrophobicContact CB-CG2 4.25Å; P349-V354 HydrophobicContact CG-CG2 4.12Å; S350-V354 PolarHBondContact O-N 2.97Å; R351-V354 PolarHBondContact O-N 2.94Å; S352-V354 VanDerWaalsContact C-N 3.26Å; S352-V354 PolarHBondContact O-N 3.3Å; V354-S357 PolarHBondContact O-OG 3.35Å
355I46.4Very low57.3Low29 Ų2985.6 Ų85.615%0.14946%0.462CS..Hα-helixtrans-85.2-6-172.1-64.6176.9000113.5R351 S352 S357 L358 F362R351-I355 HydrophobicContact CG-CD1 3.71Å; R351-I355 HydrophobicContact CG-CG1 4.49Å; R351-I355 VanDerWaalsContact O-CB 3.28Å; R351-I355 WeakPolarHBondContact O-CB 3.4Å; R351-I355 WeakPolarHBondContact O-CG1 3.17Å; R351-I355 PolarHBondContact O-N 3.49Å; S352-I355 PolarHBondContact O-N 3.48Å; I355-S357 PolarHBondContact O-N 2.79Å; I355-L358 HydrophobicContact CG2-CB 4.33Å; I355-L358 PolarHBondContact O-N 2.99Å; I355-F362 HydrophobicContact CD1-CD2 3.91Å; I355-F362 HydrophobicContact CD1-CG 4.34Å; I355-F362 HydrophobicContact CG2-CD2 4.3Å
356K45.6Very low56.1Low178 Ų17887.4 Ų87.477%0.77447%0.473SS*.THydrogen-bonded Turntrans-54.5-17.3166.5-101.7-177.9177.2178.60114S352S352-K356 WeakPolarHBondContact O-CB 3.46Å; S352-K356 PolarHBondContact O-N 3.34Å
357S45.8Very low55.4Low96 Ų9684.2 Ų84.267%0.67146%0.456SS*.THydrogen-bonded Turntrans-80.8-13.5171.459.60000115.4V354 I355V354-S357 PolarHBondContact O-OG 3.35Å; I355-S357 PolarHBondContact O-N 2.79Å
358L43.2Very low55.2Low123 Ų12380.9 Ų80.964%0.64443%0.433SS*.THydrogen-bonded Turntrans-129.115.2-165.4-74.8172.2000115I355 T360I355-L358 HydrophobicContact CG2-CB 4.33Å; I355-L358 PolarHBondContact O-N 2.99Å; L358-T360 VanDerWaalsContact C-N 3.25Å; L358-T360 PolarHBondContact O-N 3.36Å; L358-T360 PolarHBondContact O-OG1 3.38Å
359N37.9Very low55.2Low170 Ų17081.5 Ų81.591%0.90944%0.438SS*.THydrogen-bonded Turntrans51.134.7163.4-121.99.9000116
360T38Very low55.9Low82 Ų8279.7 Ų79.750%0.50343%0.432SS..  trans-120.5136.2-179.73.90000112.4L358 F362L358-T360 VanDerWaalsContact C-N 3.25Å; L358-T360 PolarHBondContact O-N 3.36Å; L358-T360 PolarHBondContact O-OG1 3.38Å; T360-F362 HydrophobicContact CG2-CE2 4.4Å; T360-F362 PolarHBondContact O-N 2.99Å
361F41.6Very low57.3Low224 Ų22478.7 Ų78.798%0.98242%0.424SS*.  trans-70.381.3179.8-117-95000111.6
362F43Very low59.1Low107 Ų10776 Ų7647%0.46942%0.415SS..  trans-108.5132.5166.4-77.3-77.8000110.2I355 T360I355-F362 HydrophobicContact CD1-CD2 3.91Å; I355-F362 HydrophobicContact CD1-CG 4.34Å; I355-F362 HydrophobicContact CG2-CD2 4.3Å; T360-F362 HydrophobicContact CG2-CE2 4.4Å; T360-F362 PolarHBondContact O-N 2.99Å
363N44.4Very low61.5Low114 Ų11475 Ų7561%0.6141%0.407SS*.  trans-59.1145.9176.2-64.6-73.6000110.8F365N363-F365 PolarHBondContact O-N 3.43Å
364D50.8Low63.8Low119 Ų11971.7 Ų71.764%0.63638%0.379SS*.  trans-59.496.5169.4-94.4-70.1000111.2S350 S352S350-D364 PolarHBondContact OG-OD1 3Å; S352-D364 VanDerWaalsContact CB-CG 3.45Å; S352-D364 WeakPolarHBondContact CB-OD1 3.2Å; S352-D364 PolarHBondContact OG-OD1 2.94Å; S352-D364 PolarHBondContact OG-OD2 2.87Å
365F61.9Low65.9Low51 Ų5167.7 Ų67.722%0.22436%0.355CS..  trans-139.5144170.1-163.2-88000111.5R351 N363 D367 I506 R514R351-F365 PolarHBondContact N-O 3.43Å; N363-F365 PolarHBondContact O-N 3.43Å; F365-D367 HydrophobicContact CD1-CB 4.21Å; F365-I506 HydrophobicContact CD2-CG2 4.15Å; F365-I506 HydrophobicContact CE2-CG2 3.41Å; F365-I506 VanDerWaalsContact CE2-CG2 3.41Å; F365-I506 HydrophobicContact CZ-CG2 3.98Å; F365-R514 VanDerWaalsContact CE1-NH1 3.27Å
366V66.7Low68.1Low38 Ų3866.3 Ų66.323%0.2335%0.348CS..  trans-95.294.9177.8-178.50000108.9V348 R407V348-V366 HydrophobicContact CB-CG1 3.66Å; V348-V366 HydrophobicContact CG1-CG1 3.75Å; V348-V366 VanDerWaalsContact O-CG1 3.25Å; V348-V366 WeakPolarHBondContact O-CG1 3.14Å; V366-R407 VanDerWaalsContact O-CZ 3.24Å; V366-R407 PolarHBondContact O-NE 3.33Å; V366-R407 PolarHBondContact O-NH2 3.48Å
367D77.3Confident69.9Low18 Ų1861.5 Ų61.510%0.09633%0.327CS..  trans-98.3-175.4-17585.1-13.3000113.4V348 R351 F365 A369V348-D367 WeakPolarHBondContact CG1-O 3.5Å; R351-D367 IonicContact CZ-OD2 2.63Å; R351-D367 IonicContact NH1-OD2 3.94Å; R351-D367 PolarHBondContact NH1-OD2 2.79Å; R351-D367 IonicContact NH2-OD2 3.51Å; R351-D367 PolarHBondContact NH2-OD2 2.99Å; R351-D367 VanDerWaalsContact NH2-OD2 3.17Å; F365-D367 HydrophobicContact CD1-CB 4.21Å; D367-A369 VanDerWaalsContact C-N 3.27Å; D367-A369 PolarHBondContact O-N 2.87Å; D367-A369 WeakPolarHBondContact OD1-CA 3.32Å; D367-A369 PolarHBondContact OD1-N 3.47Å
368T88.6Confident71.3Confident4 Ų460 Ų603%0.02532%0.321CS..  trans-87.715.6178.860.30000113.4G370 V371 R407 A408 E411T368-G370 PolarHBondContact O-N 3.26Å; T368-G370 VanDerWaalsContact O-N 3.14Å; T368-V371 WeakPolarHBondContact CB-O 3.39Å; T368-V371 VanDerWaalsContact O-CB 3.28Å; T368-V371 WeakPolarHBondContact O-CB 3.23Å; T368-V371 VanDerWaalsContact O-CG2 3.29Å; T368-V371 WeakPolarHBondContact O-CG2 3.4Å; T368-V371 PolarHBondContact O-N 2.95Å; T368-V371 PolarHBondContact OG1-N 2.87Å; T368-V371 PolarHBondContact OG1-O 2.81Å; T368-R407 HydrophobicContact CG2-CG 4.37Å; T368-A408 HydrophobicContact CG2-CB 3.91Å; T368-E411 HydrophobicContact CG2-CG 4.39Å
369A86.1Confident73.1Confident18 Ų1854.2 Ų54.215%0.14929%0.291CS..THydrogen-bonded Turntrans52.724.6-165.700000114.2D367 H404D367-A369 VanDerWaalsContact C-N 3.27Å; D367-A369 PolarHBondContact O-N 2.87Å; D367-A369 WeakPolarHBondContact OD1-CA 3.32Å; D367-A369 PolarHBondContact OD1-N 3.47Å; A369-H404 VanDerWaalsContact CB-CD2 3.46Å; A369-H404 WeakPolarHBondContact CB-CD2 3.41Å
370G87.8Confident75.3Confident28 Ų2846.6 Ų46.629%0.28925%0.25SS..THydrogen-bonded Turntrans87.91.4-175.800000115T368 Y372 G395T368-G370 PolarHBondContact O-N 3.26Å; T368-G370 VanDerWaalsContact O-N 3.14Å; G370-Y372 VanDerWaalsContact O-CD2 3.3Å; G370-Y372 WeakPolarHBondContact O-CD2 3.32Å; G370-G395 WeakPolarHBondContact O-CA 3.44Å
371V94.8Very high77.2Confident1 Ų146.6 Ų46.61%0.00624%0.242CC..  trans-75.7134.3179.5-1770000111.3T368 I373 I393 C394 L396 A400 L405 A408T368-V371 WeakPolarHBondContact CB-O 3.39Å; T368-V371 VanDerWaalsContact O-CB 3.28Å; T368-V371 WeakPolarHBondContact O-CB 3.23Å; T368-V371 VanDerWaalsContact O-CG2 3.29Å; T368-V371 WeakPolarHBondContact O-CG2 3.4Å; T368-V371 PolarHBondContact O-N 2.95Å; T368-V371 PolarHBondContact OG1-N 2.87Å; T368-V371 PolarHBondContact OG1-O 2.81Å; V371-I373 HydrophobicContact CG1-CG1 4.48Å; V371-I393 HydrophobicContact CG1-CG2 4.08Å; V371-C394 WeakPolarHBondContact CA-O 3.22Å; V371-L396 HydrophobicContact CG1-CD2 4.27Å; V371-L396 HydrophobicContact CG2-CD2 3.9Å; V371-A400 HydrophobicContact CG2-CB 3.83Å; V371-L405 HydrophobicContact CG1-CD2 4.02Å; V371-A408 HydrophobicContact CB-CB 4.26Å; V371-A408 HydrophobicContact CG1-CB 3.98Å
372Y96.7Very high78.8Confident15 Ų1536.4 Ų36.46%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-128145.1171.4-71.3-98000109.6G370 I393 C394 F415 R514 L517 W518 A521G370-Y372 VanDerWaalsContact O-CD2 3.3Å; G370-Y372 WeakPolarHBondContact O-CD2 3.32Å; Y372-I393 WeakPolarHBondContact O-CA 3.48Å; Y372-C394 PolarHBondContact N-O 2.96Å; Y372-C394 PolarHBondContact O-N 3.28Å; Y372-F415 HydrophobicContact CD1-CD2 4.48Å; Y372-F415 AromaticContact CD1-CE2 3.89Å; Y372-F415 HydrophobicContact CD1-CE2 3.89Å; Y372-F415 HydrophobicContact CE1-CD2 4.5Å; Y372-F415 AromaticContact CE1-CE2 3.61Å; Y372-F415 HydrophobicContact CE1-CE2 3.61Å; Y372-F415 AromaticContact CE1-CZ 3.82Å; Y372-F415 HydrophobicContact CE1-CZ 3.82Å; Y372-R514 WeakPolarHBondContact OH-CA 3.1Å; Y372-L517 HydrophobicContact CD2-CB 4.34Å; Y372-L517 HydrophobicContact CE1-CB 4.08Å; Y372-L517 HydrophobicContact CE2-CB 3.6Å; Y372-L517 HydrophobicContact CE2-CD1 3.96Å; Y372-L517 HydrophobicContact CE2-CG 4.4Å; Y372-L517 VanDerWaalsContact CZ-CB 3.46Å; Y372-W518 HydrophobicContact CD1-CB 4.24Å; Y372-W518 HydrophobicContact CD1-CE3 4.29Å; Y372-W518 HydrophobicContact CE1-CB 4.11Å; Y372-A521 HydrophobicContact CG-CB 4.45Å
373I97.4Very high80.6Confident4 Ų433.1 Ų33.12%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-127.7119.6179.6-61.4178.9000107.7L324 V371 I392 I393 L405 A408 S409 S412 W518L324-I373 HydrophobicContact CD1-CG2 4.26Å; L324-I373 HydrophobicContact CD2-CG2 4.18Å; V371-I373 HydrophobicContact CG1-CG1 4.48Å; I373-I392 WeakPolarHBondContact CA-O 3.43Å; I373-I393 HydrophobicContact CG1-CB 4.5Å; I373-I393 HydrophobicContact CG1-CG1 4.12Å; I373-I393 HydrophobicContact CG1-CG2 4.14Å; I373-I393 HydrophobicContact CG2-CG1 4.43Å; I373-L405 HydrophobicContact CD1-CD2 4.11Å; I373-L405 WeakPolarHBondContact CD1-O 3.12Å; I373-A408 HydrophobicContact CD1-CB 4Å; I373-A408 HydrophobicContact CG1-CB 4.04Å; I373-S409 VanDerWaalsContact CD1-OG 3.29Å; I373-S409 WeakPolarHBondContact CD1-OG 3.23Å; I373-S412 WeakPolarHBondContact O-CB 3.34Å; I373-S412 PolarHBondContact O-OG 3.48Å; I373-W518 WeakPolarHBondContact O-CZ3 3.47Å
374V96.8Very high82.5Confident1 Ų131 Ų311%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-105.3109.2172.8-171.90000107.4A376 L380 G391 I392 W518 A521 V522V374-A376 HydrophobicContact CG1-CB 4.37Å; V374-A376 PolarHBondContact O-N 2.77Å; V374-L380 HydrophobicContact CG1-CD2 4Å; V374-G391 CarbonylContact O-C 3.58Å; V374-G391 VanDerWaalsContact O-CA 3.22Å; V374-G391 WeakPolarHBondContact O-CA 3.43Å; V374-I392 HydrophobicContact CB-CG1 3.89Å; V374-I392 HydrophobicContact CG2-CD1 4.24Å; V374-I392 HydrophobicContact CG2-CG1 3.91Å; V374-I392 PolarHBondContact N-O 3.11Å; V374-I392 PolarHBondContact O-N 3.04Å; V374-W518 HydrophobicContact CB-CH2 4.43Å; V374-W518 HydrophobicContact CB-CZ3 4.44Å; V374-W518 HydrophobicContact CG1-CH2 4.18Å; V374-W518 HydrophobicContact CG2-CE3 4.45Å; V374-W518 HydrophobicContact CG2-CH2 4.15Å; V374-W518 HydrophobicContact CG2-CZ3 3.83Å; V374-A521 HydrophobicContact CG2-CB 3.72Å; V374-V522 HydrophobicContact CG1-CG2 4.29Å; V374-V522 HydrophobicContact CG2-CG2 4.26Å
375P94.2Very high83.7Confident1 Ų130.4 Ų30.41%0.00616%0.161CC..  trans-88.648.4-170.236.7-38.5000111.9V320 L324 F377 S412 Q416V320-P375 HydrophobicContact CB-CB 3.97Å; V320-P375 HydrophobicContact CB-CG 4.1Å; V320-P375 HydrophobicContact CG1-CB 4.05Å; V320-P375 VanDerWaalsContact CG2-O 3.29Å; V320-P375 WeakPolarHBondContact CG2-O 3.33Å; L324-P375 HydrophobicContact CB-CB 4.49Å; L324-P375 HydrophobicContact CD1-CB 4.16Å; L324-P375 HydrophobicContact CD2-CB 4.06Å; L324-P375 HydrophobicContact CD2-CG 4.24Å; L324-P375 HydrophobicContact CG-CB 4.48Å; P375-F377 HydrophobicContact CB-CE2 4.3Å; P375-F377 HydrophobicContact CB-CZ 4.25Å; P375-F377 PolarHBondContact O-N 3.35Å; P375-S412 WeakPolarHBondContact CD-OG 3.44Å; P375-Q416 VanDerWaalsContact CG-NE2 3.32Å
376A90.7Very high84.7Confident1 Ų129.4 Ų29.41%0.00816%0.158CC..  trans-74.250.9178.500000112.2V374 A378 G379 L380 A389 R390 G391V374-A376 HydrophobicContact CG1-CB 4.37Å; V374-A376 PolarHBondContact O-N 2.77Å; A376-A378 PolarHBondContact O-N 3.37Å; A376-A378 VanDerWaalsContact O-N 3.17Å; A376-G379 VanDerWaalsContact CA-O 3.32Å; A376-G379 WeakPolarHBondContact CA-O 3.2Å; A376-G379 PolarHBondContact O-N 2.96Å; A376-L380 HydrophobicContact CB-CD2 3.78Å; A376-L380 HydrophobicContact CB-CG 3.83Å; A376-A389 HydrophobicContact CB-CB 4.13Å; A376-R390 CarbonylContact O-C 3.57Å; A376-R390 VanDerWaalsContact O-CA 3.28Å; A376-R390 WeakPolarHBondContact O-CA 3.31Å; A376-G391 PolarHBondContact O-N 3.25Å
377F85.1Confident85.3Confident76 Ų7630.9 Ų30.933%0.33318%0.175SC..THydrogen-bonded Turntrans-61.6-26.1-174.1-59.9-35.5000113.3V320 L324 W327 P375V320-F377 HydrophobicContact CG1-CD2 4Å; V320-F377 HydrophobicContact CG1-CE2 3.91Å; V320-F377 HydrophobicContact CG2-CD2 3.98Å; L324-F377 HydrophobicContact CD1-CE2 4.19Å; L324-F377 HydrophobicContact CD1-CZ 3.77Å; W327-F377 HydrophobicContact CB-CE2 4.13Å; W327-F377 HydrophobicContact CB-CZ 4.37Å; W327-F377 HydrophobicContact CD2-CE1 4.28Å; W327-F377 HydrophobicContact CD2-CE2 4.2Å; W327-F377 AromaticContact CD2-CZ 3.57Å; W327-F377 HydrophobicContact CD2-CZ 3.57Å; W327-F377 AromaticContact CE2-CZ 3.87Å; W327-F377 AromaticContact CE3-CZ 3.84Å; W327-F377 HydrophobicContact CE3-CZ 3.84Å; W327-F377 AromaticContact CG-CE2 3.95Å; W327-F377 HydrophobicContact CG-CE2 3.95Å; W327-F377 AromaticContact CG-CZ 3.82Å; W327-F377 HydrophobicContact CG-CZ 3.82Å; W327-F377 HydrophobicContact CZ2-CE1 4.28Å; W327-F377 HydrophobicContact CZ2-CZ 4.36Å; W327-F377 HydrophobicContact CZ3-CZ 4.3Å; P375-F377 HydrophobicContact CB-CE2 4.3Å; P375-F377 HydrophobicContact CB-CZ 4.25Å; P375-F377 PolarHBondContact O-N 3.35Å
378A74.3Confident85.6Confident65 Ų6530.7 Ų30.754%0.53717%0.174SC..THydrogen-bonded Turntrans-131.240.5174.900000111A376A376-A378 PolarHBondContact O-N 3.37Å; A376-A378 VanDerWaalsContact O-N 3.17Å
379G82.2Confident85.7Confident2 Ų230.5 Ų30.52%0.02117%0.173CC..  trans83.5-174.3-170.900000113.7A376 D386 A389A376-G379 VanDerWaalsContact CA-O 3.32Å; A376-G379 WeakPolarHBondContact CA-O 3.2Å; A376-G379 PolarHBondContact O-N 2.96Å; G379-D386 CarbonylContact C-O 3.52Å; G379-D386 VanDerWaalsContact CA-O 3.23Å; G379-D386 WeakPolarHBondContact CA-O 3.49Å; G379-A389 VanDerWaalsContact CA-O 3.3Å; G379-A389 WeakPolarHBondContact CA-O 3.47Å; G379-A389 PolarHBondContact N-O 3.24Å
380L82.4Confident85.9Confident9 Ų933.1 Ų33.15%0.04718%0.179CC..BIsolated β-bridgetrans-111.3130.4175.4-69.1169.7000110.2V374 A376 Y384 W385 D386 A389 V522 M526V374-L380 HydrophobicContact CG1-CD2 4Å; A376-L380 HydrophobicContact CB-CD2 3.78Å; A376-L380 HydrophobicContact CB-CG 3.83Å; L380-Y384 HydrophobicContact CB-CD2 4.31Å; L380-Y384 HydrophobicContact CD1-CD2 4.1Å; L380-Y384 HydrophobicContact CD1-CG 4.24Å; L380-Y384 HydrophobicContact CD2-CD2 4.49Å; L380-W385 CarbonylContact O-C 3.26Å; L380-W385 WeakPolarHBondContact O-CA 3.34Å; L380-W385 PolarHBondContact O-N 3.21Å; L380-D386 PolarHBondContact N-O 3.01Å; L380-D386 PolarHBondContact O-N 2.96Å; L380-A389 HydrophobicContact CB-CB 4.43Å; L380-A389 HydrophobicContact CD1-CB 3.89Å; L380-A389 HydrophobicContact CG-CB 3.84Å; L380-V522 HydrophobicContact CD1-CG1 3.8Å; L380-M526 HydrophobicContact CD1-CE 3.91Å; L380-M526 HydrophobicContact CD1-CG 4.1Å
381Y78.8Confident86.2Confident82 Ų8233.6 Ų33.632%0.32218%0.184SC..  trans-84.6-156.6171.4-59.1-21.6000111A319 Y384 W385A319-Y381 HydrophobicContact CB-CD2 3.44Å; A319-Y381 VanDerWaalsContact CB-CD2 3.44Å; A319-Y381 HydrophobicContact CB-CE2 3.49Å; A319-Y381 VanDerWaalsContact CB-CE2 3.49Å; A319-Y381 HydrophobicContact CB-CG 4.05Å; Y381-Y384 PolarHBondContact O-N 2.99Å; Y381-W385 HydrophobicContact CD1-CZ3 4.33Å; Y381-W385 PolarHBondContact O-N 3.34Å
382A74.7Confident86.3Confident10 Ų1034.6 Ų34.68%0.08319%0.189CC..THydrogen-bonded Turntrans-52.5139.3177.600000112.5G295 L296 W385 I420G295-A382 WeakPolarHBondContact O-CB 3.33Å; L296-A382 HydrophobicContact CD2-CB 4.12Å; A382-W385 HydrophobicContact CB-CZ2 4.24Å; A382-I420 WeakPolarHBondContact O-CG1 3.48Å
383P80.7Confident86.3Confident39 Ų3936.9 Ų36.925%0.25320%0.202SC..THydrogen-bonded Turncis-86.422.935.1-36.4000115H294 D419 A423H294-P383 WeakPolarHBondContact O-CA 3.43Å; P383-D419 HydrophobicContact CG-CB 4.02Å; P383-A423 HydrophobicContact CB-CB 4.03Å
384Y84Confident86.2Confident69 Ų6938.5 Ų38.527%0.27121%0.213SC..THydrogen-bonded Turntrans-89-44.2-166.4-57.9-62.9000114.6L380 Y381 D386 D419 V522 M526L380-Y384 HydrophobicContact CB-CD2 4.31Å; L380-Y384 HydrophobicContact CD1-CD2 4.1Å; L380-Y384 HydrophobicContact CD1-CG 4.24Å; L380-Y384 HydrophobicContact CD2-CD2 4.49Å; Y381-Y384 PolarHBondContact O-N 2.99Å; Y384-D386 PolarHBondContact O-N 3.36Å; Y384-D419 HydrophobicContact CE2-CB 4.49Å; Y384-D419 PolarHBondContact OH-OD1 3.04Å; Y384-D419 PolarHBondContact OH-OD2 3.02Å; Y384-D419 VanDerWaalsContact OH-OD2 3.06Å; Y384-V522 HydrophobicContact CD1-CG1 4.2Å; Y384-V522 HydrophobicContact CD2-CG1 4.21Å; Y384-V522 HydrophobicContact CE1-CG1 3.87Å; Y384-V522 HydrophobicContact CE2-CG1 3.89Å; Y384-V522 HydrophobicContact CE2-CG2 4.43Å; Y384-V522 HydrophobicContact CG-CG1 4.34Å; Y384-M526 HydrophobicContact CD1-CE 3.42Å; Y384-M526 VanDerWaalsContact CD1-CE 3.42Å; Y384-M526 HydrophobicContact CE1-CE 4.21Å; Y384-M526 HydrophobicContact CG-CE 3.65Å
385W76.1Confident86Confident107 Ų10740.4 Ų40.441%0.40523%0.233SC..  trans51.650.7-179-67102.5000114.5G295 L380 Y381 A382G295-W385 WeakPolarHBondContact O-CZ2 3.29Å; G295-W385 PolarHBondContact O-NE1 2.75Å; L380-W385 CarbonylContact O-C 3.26Å; L380-W385 WeakPolarHBondContact O-CA 3.34Å; L380-W385 PolarHBondContact O-N 3.21Å; Y381-W385 HydrophobicContact CD1-CZ3 4.33Å; Y381-W385 PolarHBondContact O-N 3.34Å; A382-W385 HydrophobicContact CB-CZ2 4.24Å
386D82.7Confident85.9Confident30 Ų3045.3 Ų45.316%0.1626%0.258CS..BIsolated β-bridgetrans-110.3105.4175.7-177-6.2000110.2G379 L380 Y384 S388 A389 M526 G527G379-D386 CarbonylContact C-O 3.52Å; G379-D386 VanDerWaalsContact CA-O 3.23Å; G379-D386 WeakPolarHBondContact CA-O 3.49Å; L380-D386 PolarHBondContact N-O 3.01Å; L380-D386 PolarHBondContact O-N 2.96Å; Y384-D386 PolarHBondContact O-N 3.36Å; D386-S388 VanDerWaalsContact C-N 3.33Å; D386-S388 WeakPolarHBondContact OD1-CA 3.45Å; D386-S388 VanDerWaalsContact OD1-CB 3.26Å; D386-S388 WeakPolarHBondContact OD1-CB 3.38Å; D386-S388 PolarHBondContact OD1-N 2.9Å; D386-S388 PolarHBondContact OD1-OG 3.34Å; D386-S388 PolarHBondContact OD2-OG 3.2Å; D386-A389 HydrophobicContact CB-CB 4.08Å; D386-A389 PolarHBondContact OD1-N 3.31Å; D386-M526 HydrophobicContact CB-CG 4.41Å; D386-M526 WeakPolarHBondContact OD2-CA 3.41Å; D386-M526 WeakPolarHBondContact OD2-CB 3.36Å; D386-M526 VanDerWaalsContact OD2-CG 3.26Å; D386-M526 WeakPolarHBondContact OD2-CG 3.46Å; D386-G527 PolarHBondContact OD2-N 2.63Å
387A79.5Confident85.8Confident69 Ų6949.1 Ų49.157%0.5728%0.282SS*.SBendtrans-74.9-21.617700000113.2A389 R390A387-A389 VanDerWaalsContact C-N 3.32Å; A387-R390 PolarHBondContact O-NH1 3.28Å
388S84.8Confident85.8Confident13 Ų1355.4 Ų55.49%0.09131%0.312CS..SBendtrans-75.2-22.8175.880.50000112.5D386 R390 G527 I529D386-S388 VanDerWaalsContact C-N 3.33Å; D386-S388 WeakPolarHBondContact OD1-CA 3.45Å; D386-S388 VanDerWaalsContact OD1-CB 3.26Å; D386-S388 WeakPolarHBondContact OD1-CB 3.38Å; D386-S388 PolarHBondContact OD1-N 2.9Å; D386-S388 PolarHBondContact OD1-OG 3.34Å; D386-S388 PolarHBondContact OD2-OG 3.2Å; S388-R390 PolarHBondContact O-NH1 3.02Å; S388-G527 WeakPolarHBondContact OG-CA 3.32Å; S388-G527 PolarHBondContact OG-N 3.47Å; S388-I529 WeakPolarHBondContact CB-O 3.41Å; S388-I529 PolarHBondContact O-N 3.24Å; S388-I529 VanDerWaalsContact O-N 3.17Å
389A90.4Very high86.3Confident0 Ų055.2 Ų55.20%031%0.31CS..  trans-61.3142.3-174.800000112.6A376 G379 L380 D386 A387 S525A376-A389 HydrophobicContact CB-CB 4.13Å; G379-A389 VanDerWaalsContact CA-O 3.3Å; G379-A389 WeakPolarHBondContact CA-O 3.47Å; G379-A389 PolarHBondContact N-O 3.24Å; L380-A389 HydrophobicContact CB-CB 4.43Å; L380-A389 HydrophobicContact CD1-CB 3.89Å; L380-A389 HydrophobicContact CG-CB 3.84Å; D386-A389 HydrophobicContact CB-CB 4.08Å; D386-A389 PolarHBondContact OD1-N 3.31Å; A387-A389 VanDerWaalsContact C-N 3.32Å; A389-S525 CarbonylContact C-O 3.59Å; A389-S525 WeakPolarHBondContact CA-O 3.4Å; A389-S525 WeakPolarHBondContact CB-O 3.41Å
390R91Very high86.7Confident74 Ų7456.3 Ų56.328%0.27932%0.319SS..  trans-130.2159.1179.2-71.6-63.2178-82.68.8114.1A376 A387 S388 I392 S525 W528 I529A376-R390 CarbonylContact O-C 3.57Å; A376-R390 VanDerWaalsContact O-CA 3.28Å; A376-R390 WeakPolarHBondContact O-CA 3.31Å; A387-R390 PolarHBondContact O-NH1 3.28Å; S388-R390 PolarHBondContact O-NH1 3.02Å; R390-I392 PolarHBondContact O-N 3.01Å; R390-S525 PolarHBondContact N-O 3.39Å; R390-S525 WeakPolarHBondContact O-CB 3.41Å; R390-W528 HydrophobicContact CB-CB 4Å; R390-W528 HydrophobicContact CB-CG 3.73Å; R390-W528 HydrophobicContact CG-CB 4.23Å; R390-W528 HydrophobicContact CG-CG 4.09Å; R390-I529 HydrophobicContact CG-CD1 4.29Å; R390-I529 HydrophobicContact CG-CG1 4.05Å; R390-I529 VanDerWaalsContact CZ-CD1 3.46Å
391G93.4Very high87.2Confident37 Ų3759.2 Ų59.238%0.38134%0.337SS..  trans-61.3121.1-177.200000112.1V374 A376V374-G391 CarbonylContact O-C 3.58Å; V374-G391 VanDerWaalsContact O-CA 3.22Å; V374-G391 WeakPolarHBondContact O-CA 3.43Å; A376-G391 PolarHBondContact O-N 3.25Å
392I96.2Very high88Confident22 Ų2260.3 Ų60.311%0.11334%0.343CS..EExtended strand (participates in β ladder)trans-122.4152177.468.3162.3000112.5I373 V374 R390 C394 A521 K524I373-I392 WeakPolarHBondContact CA-O 3.43Å; V374-I392 HydrophobicContact CB-CG1 3.89Å; V374-I392 HydrophobicContact CG2-CD1 4.24Å; V374-I392 HydrophobicContact CG2-CG1 3.91Å; V374-I392 PolarHBondContact N-O 3.11Å; V374-I392 PolarHBondContact O-N 3.04Å; R390-I392 PolarHBondContact O-N 3.01Å; I392-C394 HydrophobicContact CD1-CB 4.34Å; I392-A521 VanDerWaalsContact CD1-O 3.25Å; I392-A521 WeakPolarHBondContact CD1-O 3.4Å; I392-K524 HydrophobicContact CD1-CB 4.01Å
393I96.9Very high89Confident64 Ų6460 Ų6033%0.32834%0.341SS..EExtended strand (participates in β ladder)trans-122.3119.8164.7-54.1-179.9000106.4W327 V371 Y372 I373 L396 L405W327-I393 HydrophobicContact CH2-CD1 4.49Å; V371-I393 HydrophobicContact CG1-CG2 4.08Å; Y372-I393 WeakPolarHBondContact O-CA 3.48Å; I373-I393 HydrophobicContact CG1-CB 4.5Å; I373-I393 HydrophobicContact CG1-CG1 4.12Å; I373-I393 HydrophobicContact CG1-CG2 4.14Å; I373-I393 HydrophobicContact CG2-CG1 4.43Å; I393-L396 HydrophobicContact CG2-CD1 4.24Å; I393-L396 HydrophobicContact CG2-CD2 4.28Å; I393-L396 HydrophobicContact CG2-CG 4.26Å; I393-L405 HydrophobicContact CD1-CD2 4.32Å; I393-L405 HydrophobicContact CG2-CD2 3.73Å
394C95.4Very high89.6Confident38 Ų3858.8 Ų58.826%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-133.5164.5-176.364.30000112.1V371 Y372 I392V371-C394 WeakPolarHBondContact CA-O 3.22Å; Y372-C394 PolarHBondContact N-O 2.96Å; Y372-C394 PolarHBondContact O-N 3.28Å; I392-C394 HydrophobicContact CD1-CB 4.34Å
395G91.9Very high90.2Very high41 Ų4156.9 Ų56.942%0.42333%0.327SS..  trans78.917.6-178.900000114.7G370G370-G395 WeakPolarHBondContact O-CA 3.44Å
396L92Very high91.2Very high103 Ų10351.8 Ų51.854%0.53931%0.307SS..  trans-64.3137174.1-66.8170.2000111.2V371 I393 A400 L405V371-L396 HydrophobicContact CG1-CD2 4.27Å; V371-L396 HydrophobicContact CG2-CD2 3.9Å; I393-L396 HydrophobicContact CG2-CD1 4.24Å; I393-L396 HydrophobicContact CG2-CD2 4.28Å; I393-L396 HydrophobicContact CG2-CG 4.26Å; L396-A400 HydrophobicContact CD2-CB 3.85Å; L396-L405 HydrophobicContact CD2-CD2 4.32Å
397T88.4Confident91.8Very high82 Ų8250.9 Ų50.950%0.50330%0.302SS..  trans-136.3172171.765.70000108.7A399 A400T397-A399 PolarHBondContact O-N 3.36Å; T397-A399 PolarHBondContact OG1-N 3.27Å; T397-A400 VanDerWaalsContact O-CB 3.27Å; T397-A400 WeakPolarHBondContact O-CB 3.44Å; T397-A400 PolarHBondContact O-N 2.84Å
398H87.1Confident92.5Very high208 Ų20847.8 Ų47.896%0.96328%0.276SS*.THydrogen-bonded Turntrans-60.1-15.8174.2-72.6-72.7000114.4
399A84.8Confident93.1Very high61 Ų6147.1 Ų47.150%0.50427%0.271SS..THydrogen-bonded Turntrans-83-14.3173.400000113.4T397 H404T397-A399 PolarHBondContact O-N 3.36Å; T397-A399 PolarHBondContact OG1-N 3.27Å; A399-H404 PolarHBondContact O-CE1 3.16Å; A399-H404 PolarHBondContact O-ND1 2.91Å
400A90.5Very high93.4Very high25 Ų2547.2 Ų47.221%0.20727%0.272CS..  trans-67.7139.5178.700000110.8V371 L396 T397V371-A400 HydrophobicContact CG2-CB 3.83Å; L396-A400 HydrophobicContact CD2-CB 3.85Å; T397-A400 VanDerWaalsContact O-CB 3.27Å; T397-A400 WeakPolarHBondContact O-CB 3.44Å; T397-A400 PolarHBondContact O-N 2.84Å
401T93Very high93.6Very high69 Ų6943.8 Ų43.842%0.42326%0.259SS..  trans-137.8171.2179.772.40000109.4A403 H404 L405T401-A403 PolarHBondContact O-N 3.05Å; T401-A403 VanDerWaalsContact O-N 3.16Å; T401-A403 PolarHBondContact OG1-N 2.66Å; T401-H404 PolarHBondContact N-ND1 3.22Å; T401-H404 WeakPolarHBondContact O-CB 3.25Å; T401-H404 PolarHBondContact O-N 3.12Å; T401-H404 PolarHBondContact OG1-ND1 3.31Å; T401-L405 PolarHBondContact O-N 2.83Å; T401-L405 VanDerWaalsContact O-N 3.11Å
402K94.3Very high93.7Very high105 Ų10542 Ų4246%0.45724%0.241SC..Hα-helixtrans-57.2-30.5175.278.2170.4-159.7147.80113.6I334 E340 L344 L405 V406I334-K402 HydrophobicContact CG2-CB 4.17Å; I334-K402 PolarHBondContact O-NZ 2.87Å; E340-K402 IonicContact OE1-NZ 2.82Å; L344-K402 HydrophobicContact CD2-CD 4.46Å; L344-K402 HydrophobicContact CD2-CG 4.42Å; K402-L405 PolarHBondContact O-N 3.04Å; K402-V406 WeakPolarHBondContact O-CG2 3.25Å; K402-V406 PolarHBondContact O-N 3.13Å
403A95Very high93.7Very high5 Ų541 Ų414%0.04124%0.236CC..Hα-helixtrans-64.7-41.6174.600000112.2L344 V348 T401 V406 R407L344-A403 HydrophobicContact CD1-CB 3.82Å; L344-A403 HydrophobicContact CG-CB 4.31Å; L344-A403 WeakPolarHBondContact O-CB 3.45Å; V348-A403 HydrophobicContact CG2-CB 3.66Å; T401-A403 PolarHBondContact O-N 3.05Å; T401-A403 VanDerWaalsContact O-N 3.16Å; T401-A403 PolarHBondContact OG1-N 2.66Å; A403-V406 PolarHBondContact O-N 2.9Å; A403-R407 WeakPolarHBondContact O-CB 3.15Å; A403-R407 PolarHBondContact O-N 3.09Å
404H95.1Very high93.7Very high12 Ų1238 Ų386%0.05622%0.22CC..Hα-helixtrans-65.4-37.4174.6-59.9101.6000112.1V348 A369 A399 T401 R407 A408V348-H404 VanDerWaalsContact CG1-CD2 3.44Å; V348-H404 WeakPolarHBondContact CG1-CD2 3.38Å; V348-H404 WeakPolarHBondContact CG1-NE2 3.5Å; A369-H404 VanDerWaalsContact CB-CD2 3.46Å; A369-H404 WeakPolarHBondContact CB-CD2 3.41Å; A399-H404 PolarHBondContact O-CE1 3.16Å; A399-H404 PolarHBondContact O-ND1 2.91Å; T401-H404 PolarHBondContact N-ND1 3.22Å; T401-H404 WeakPolarHBondContact O-CB 3.25Å; T401-H404 PolarHBondContact O-N 3.12Å; T401-H404 PolarHBondContact OG1-ND1 3.31Å; H404-R407 PolarHBondContact O-N 3.06Å; H404-A408 VanDerWaalsContact O-CB 3.24Å; H404-A408 WeakPolarHBondContact O-CB 3.49Å; H404-A408 PolarHBondContact O-N 2.88Å
405L95.7Very high93.7Very high30 Ų3036.2 Ų36.216%0.15721%0.208CC..Hα-helixtrans-62.9-46.1174.5-71.6169.4000111.9I334 V371 I373 I393 L396 T401 K402 R407 A408 S409I334-L405 HydrophobicContact CD1-CD1 3.92Å; V371-L405 HydrophobicContact CG1-CD2 4.02Å; I373-L405 HydrophobicContact CD1-CD2 4.11Å; I373-L405 WeakPolarHBondContact CD1-O 3.12Å; I393-L405 HydrophobicContact CD1-CD2 4.32Å; I393-L405 HydrophobicContact CG2-CD2 3.73Å; L396-L405 HydrophobicContact CD2-CD2 4.32Å; T401-L405 PolarHBondContact O-N 2.83Å; T401-L405 VanDerWaalsContact O-N 3.11Å; K402-L405 PolarHBondContact O-N 3.04Å; L405-R407 PolarHBondContact O-N 3.34Å; L405-A408 PolarHBondContact O-N 2.97Å; L405-S409 PolarHBondContact O-N 3.42Å; L405-S409 PolarHBondContact O-OG 3.15Å
406V96.2Very high93.9Very high0 Ų035.1 Ų35.10%019%0.192CC..Hα-helixtrans-63.4-42.3176.5179.40000111.2L328 I334 I335 I341 L344 A345 K402 A403 S409 L410L328-V406 HydrophobicContact CD1-CG2 4.17Å; I334-V406 HydrophobicContact CG2-CG2 3.7Å; I335-V406 HydrophobicContact CG2-CG2 3.82Å; I341-V406 HydrophobicContact CB-CG1 4.17Å; I341-V406 HydrophobicContact CG1-CG1 4.15Å; I341-V406 HydrophobicContact CG2-CG1 3.75Å; L344-V406 HydrophobicContact CD2-CG2 3.86Å; L344-V406 HydrophobicContact CG-CG2 4.34Å; A345-V406 HydrophobicContact CB-CG1 4.15Å; K402-V406 WeakPolarHBondContact O-CG2 3.25Å; K402-V406 PolarHBondContact O-N 3.13Å; A403-V406 PolarHBondContact O-N 2.9Å; V406-S409 WeakPolarHBondContact O-CB 3.3Å; V406-S409 PolarHBondContact O-N 2.8Å; V406-L410 PolarHBondContact O-N 2.69Å; V406-L410 VanDerWaalsContact O-N 3.11Å
407R95.6Very high94Very high11 Ų1130.2 Ų30.24%0.04217%0.166CC..Hα-helixtrans-64.4-42.5175.9-166.9175.9-17586.82.8112.5A345 V348 V366 T368 A403 H404 L405 S409 L410 E411A345-R407 HydrophobicContact CB-CB 3.99Å; A345-R407 HydrophobicContact CB-CG 4.38Å; A345-R407 PolarHBondContact O-NH1 2.97Å; V348-R407 HydrophobicContact CG2-CB 4.38Å; V366-R407 VanDerWaalsContact O-CZ 3.24Å; V366-R407 PolarHBondContact O-NE 3.33Å; V366-R407 PolarHBondContact O-NH2 3.48Å; T368-R407 HydrophobicContact CG2-CG 4.37Å; A403-R407 WeakPolarHBondContact O-CB 3.15Å; A403-R407 PolarHBondContact O-N 3.09Å; H404-R407 PolarHBondContact O-N 3.06Å; L405-R407 PolarHBondContact O-N 3.34Å; R407-S409 VanDerWaalsContact C-N 3.28Å; R407-S409 PolarHBondContact O-N 3.17Å; R407-L410 PolarHBondContact O-N 3Å; R407-E411 PolarHBondContact O-N 3.49Å
408A95.9Very high94.3Very high3 Ų327.8 Ų27.83%0.02515%0.148CC..Hα-helixtrans-64.3-32.5175.200000112.3T368 V371 I373 H404 L405 S412T368-A408 HydrophobicContact CG2-CB 3.91Å; V371-A408 HydrophobicContact CB-CB 4.26Å; V371-A408 HydrophobicContact CG1-CB 3.98Å; I373-A408 HydrophobicContact CD1-CB 4Å; I373-A408 HydrophobicContact CG1-CB 4.04Å; H404-A408 VanDerWaalsContact O-CB 3.24Å; H404-A408 WeakPolarHBondContact O-CB 3.49Å; H404-A408 PolarHBondContact O-N 2.88Å; L405-A408 PolarHBondContact O-N 2.97Å; A408-S412 VanDerWaalsContact O-CB 3.25Å; A408-S412 WeakPolarHBondContact O-CB 3.44Å; A408-S412 PolarHBondContact O-N 3.39Å
409S96.4Very high94.7Very high0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-66.4-39.9172-69.80000112.3M325 L328 I373 L405 V406 R407 S412 V413M325-S409 WeakPolarHBondContact CE-O 3.49Å; L328-S409 WeakPolarHBondContact CD1-OG 3.44Å; I373-S409 VanDerWaalsContact CD1-OG 3.29Å; I373-S409 WeakPolarHBondContact CD1-OG 3.23Å; L405-S409 PolarHBondContact O-N 3.42Å; L405-S409 PolarHBondContact O-OG 3.15Å; V406-S409 WeakPolarHBondContact O-CB 3.3Å; V406-S409 PolarHBondContact O-N 2.8Å; R407-S409 VanDerWaalsContact C-N 3.28Å; R407-S409 PolarHBondContact O-N 3.17Å; S409-S412 WeakPolarHBondContact O-CB 3.48Å; S409-V413 PolarHBondContact O-N 3.05Å
410L96.2Very high95.1Very high2 Ų215.6 Ų15.61%0.018%0.081CC..Hα-helixtrans-64.5-50172.9-69.3-178.5000111.2M325 I341 A345 V406 R407 S412 V413 C414 M442 L447 F448 L451M325-L410 HydrophobicContact CE-CD2 4.03Å; M325-L410 HydrophobicContact SD-CD2 4.02Å; I341-L410 HydrophobicContact CG2-CD1 3.95Å; I341-L410 HydrophobicContact CG2-CD2 3.85Å; I341-L410 HydrophobicContact CG2-CG 4.03Å; A345-L410 HydrophobicContact CB-CD1 3.91Å; V406-L410 PolarHBondContact O-N 2.69Å; V406-L410 VanDerWaalsContact O-N 3.11Å; R407-L410 PolarHBondContact O-N 3Å; L410-S412 PolarHBondContact O-N 3.31Å; L410-V413 PolarHBondContact O-N 3.46Å; L410-C414 PolarHBondContact O-N 3.47Å; L410-C414 PolarHBondContact O-SG 2.7Å; L410-C414 VanDerWaalsContact O-SG 3.32Å; L410-M442 HydrophobicContact CD2-CE 4Å; L410-L447 HydrophobicContact CD1-CD2 3.96Å; L410-L447 HydrophobicContact CD1-CG 4.31Å; L410-F448 HydrophobicContact CD2-CB 4.15Å; L410-F448 HydrophobicContact CD2-CD2 4.18Å; L410-F448 HydrophobicContact CD2-CG 4.43Å; L410-L451 HydrophobicContact CB-CD1 3.99Å; L410-L451 HydrophobicContact CD1-CD1 4.43Å
411E95.9Very high95.3Very high1 Ų114.6 Ų14.61%0.0057%0.073CC..Hα-helixtrans-60.1-34.5178.1-70.5-161.5-17700112.2T368 R407 V413 C414 F415 L451 R514T368-E411 HydrophobicContact CG2-CG 4.39Å; R407-E411 PolarHBondContact O-N 3.49Å; E411-V413 VanDerWaalsContact C-N 3.35Å; E411-V413 PolarHBondContact O-N 2.91Å; E411-C414 CarbonylContact O-C 3.6Å; E411-C414 WeakPolarHBondContact O-CA 3.3Å; E411-C414 VanDerWaalsContact O-CB 3.31Å; E411-C414 WeakPolarHBondContact O-CB 3.42Å; E411-C414 PolarHBondContact O-N 3.45Å; E411-F415 HydrophobicContact CB-CD2 4.32Å; E411-F415 HydrophobicContact CB-CE2 3.69Å; E411-F415 HydrophobicContact CB-CZ 4.15Å; E411-F415 WeakPolarHBondContact O-CD2 3.37Å; E411-F415 WeakPolarHBondContact O-CG 3.48Å; E411-F415 PolarHBondContact O-N 2.86Å; E411-L451 HydrophobicContact CG-CD1 4Å; E411-L451 HydrophobicContact CG-CD2 4.07Å; E411-R514 IonicContact OE1-CZ 3.17Å; E411-R514 IonicContact OE1-NH1 3.09Å; E411-R514 PolarHBondContact OE1-NH1 3.44Å; E411-R514 WeakPolarHBondContact OE2-CD 3.33Å; E411-R514 IonicContact OE2-NH1 3.29Å
412S96Very high95.3Very high1 Ų114.3 Ų14.31%0.0077%0.068CC..Hα-helixtrans-57-42.7174.6-177.40000113.7I373 P375 A408 S409 L410 C414 F415 Q416I373-S412 WeakPolarHBondContact O-CB 3.34Å; I373-S412 PolarHBondContact O-OG 3.48Å; P375-S412 WeakPolarHBondContact CD-OG 3.44Å; A408-S412 VanDerWaalsContact O-CB 3.25Å; A408-S412 WeakPolarHBondContact O-CB 3.44Å; A408-S412 PolarHBondContact O-N 3.39Å; S409-S412 WeakPolarHBondContact O-CB 3.48Å; L410-S412 PolarHBondContact O-N 3.31Å; S412-C414 VanDerWaalsContact C-N 3.32Å; S412-F415 PolarHBondContact O-N 2.96Å; S412-Q416 WeakPolarHBondContact O-CG 3.42Å; S412-Q416 PolarHBondContact O-N 3.46Å; S412-Q416 VanDerWaalsContact O-N 3.09Å; S412-Q416 PolarHBondContact O-NE2 2.92Å; S412-Q416 VanDerWaalsContact O-NE2 3.16Å
413V96Very high95.2Very high0 Ų09.6 Ų9.60%05%0.049CC..Hα-helixtrans-65.1-42.2173.8-176.60000109.6Y275 A321 M325 S409 L410 E411 F415 Q416 T417 M442 F448Y275-V413 HydrophobicContact CD1-CG1 4.01Å; Y275-V413 HydrophobicContact CE1-CG1 4.04Å; A321-V413 HydrophobicContact CB-CG1 3.79Å; A321-V413 HydrophobicContact CB-CG2 4.29Å; M325-V413 HydrophobicContact CE-CG2 4.13Å; S409-V413 PolarHBondContact O-N 3.05Å; L410-V413 PolarHBondContact O-N 3.46Å; E411-V413 VanDerWaalsContact C-N 3.35Å; E411-V413 PolarHBondContact O-N 2.91Å; V413-F415 VanDerWaalsContact C-N 3.32Å; V413-F415 PolarHBondContact O-N 2.93Å; V413-Q416 PolarHBondContact O-N 2.88Å; V413-T417 PolarHBondContact O-N 3.15Å; V413-T417 PolarHBondContact O-OG1 3.14Å; V413-M442 HydrophobicContact CB-CE 4.47Å; V413-M442 HydrophobicContact CG1-CE 4.42Å; V413-M442 HydrophobicContact CG1-SD 4.39Å; V413-M442 HydrophobicContact CG2-CE 4.14Å; V413-F448 HydrophobicContact CB-CE2 3.97Å; V413-F448 HydrophobicContact CG1-CE2 3.83Å; V413-F448 HydrophobicContact CG1-CZ 3.96Å
414C96.5Very high95.2Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-60.9-38.1178.1-57.90000113.7L410 E411 S412 Y418 Q452 I455L410-C414 PolarHBondContact O-N 3.47Å; L410-C414 PolarHBondContact O-SG 2.7Å; L410-C414 VanDerWaalsContact O-SG 3.32Å; E411-C414 CarbonylContact O-C 3.6Å; E411-C414 WeakPolarHBondContact O-CA 3.3Å; E411-C414 VanDerWaalsContact O-CB 3.31Å; E411-C414 WeakPolarHBondContact O-CB 3.42Å; E411-C414 PolarHBondContact O-N 3.45Å; S412-C414 VanDerWaalsContact C-N 3.32Å; C414-Y418 WeakPolarHBondContact O-CB 3.45Å; C414-Y418 PolarHBondContact O-N 3.19Å; C414-Y418 VanDerWaalsContact O-N 3.11Å; C414-Q452 PolarHBondContact O-NE2 3.36Å; C414-Q452 PolarHBondContact SG-N 2.88Å; C414-Q452 VanDerWaalsContact SG-N 3.43Å; C414-I455 HydrophobicContact CB-CB 4.1Å; C414-I455 HydrophobicContact CB-CG1 4.16Å; C414-I455 HydrophobicContact CB-CG2 4.31Å
415F96.3Very high95.1Very high2 Ų211.5 Ų11.51%0.0096%0.057CC..Hα-helixtrans-70.6-47.9176.6-62.9-52.7000112.3Y372 E411 S412 V413 T417 Y418 D419 I455 R514 L515 W518Y372-F415 HydrophobicContact CD1-CD2 4.48Å; Y372-F415 AromaticContact CD1-CE2 3.89Å; Y372-F415 HydrophobicContact CD1-CE2 3.89Å; Y372-F415 HydrophobicContact CE1-CD2 4.5Å; Y372-F415 AromaticContact CE1-CE2 3.61Å; Y372-F415 HydrophobicContact CE1-CE2 3.61Å; Y372-F415 AromaticContact CE1-CZ 3.82Å; Y372-F415 HydrophobicContact CE1-CZ 3.82Å; E411-F415 HydrophobicContact CB-CD2 4.32Å; E411-F415 HydrophobicContact CB-CE2 3.69Å; E411-F415 HydrophobicContact CB-CZ 4.15Å; E411-F415 WeakPolarHBondContact O-CD2 3.37Å; E411-F415 WeakPolarHBondContact O-CG 3.48Å; E411-F415 PolarHBondContact O-N 2.86Å; S412-F415 PolarHBondContact O-N 2.96Å; V413-F415 VanDerWaalsContact C-N 3.32Å; V413-F415 PolarHBondContact O-N 2.93Å; F415-T417 VanDerWaalsContact C-N 3.29Å; F415-T417 PolarHBondContact O-N 3.26Å; F415-Y418 WeakPolarHBondContact O-CA 3.48Å; F415-Y418 WeakPolarHBondContact O-CB 3.44Å; F415-Y418 PolarHBondContact O-N 3.28Å; F415-D419 PolarHBondContact O-N 3.44Å; F415-I455 HydrophobicContact CD1-CD1 4.42Å; F415-I455 HydrophobicContact CD1-CG1 4.37Å; F415-I455 HydrophobicContact CD1-CG2 3.56Å; F415-I455 HydrophobicContact CE1-CD1 3.62Å; F415-I455 HydrophobicContact CE1-CG1 3.96Å; F415-I455 HydrophobicContact CE1-CG2 3.91Å; F415-I455 HydrophobicContact CZ-CD1 4.22Å; F415-R514 HydrophobicContact CE1-CB 3.91Å; F415-R514 HydrophobicContact CZ-CB 3.86Å; F415-L515 HydrophobicContact CD1-CD2 3.85Å; F415-L515 HydrophobicContact CE1-CD2 4.19Å; F415-W518 HydrophobicContact CB-CB 4.41Å; F415-W518 HydrophobicContact CB-CD2 3.36Å; F415-W518 HydrophobicContact CB-CE3 3.88Å; F415-W518 HydrophobicContact CB-CG 3.58Å; F415-W518 HydrophobicContact CB-CH2 4.34Å; F415-W518 HydrophobicContact CB-CZ2 3.9Å; F415-W518 HydrophobicContact CB-CZ3 4.33Å; F415-W518 HydrophobicContact CD1-CB 4.04Å; F415-W518 HydrophobicContact CD1-CG 4.07Å; F415-W518 HydrophobicContact CD2-CB 4.03Å; F415-W518 AromaticContact CD2-CD2 3.71Å; F415-W518 HydrophobicContact CD2-CD2 3.71Å; F415-W518 AromaticContact CD2-CE3 3.51Å; F415-W518 HydrophobicContact CD2-CE3 3.51Å; F415-W518 AromaticContact CD2-CG 3.93Å; F415-W518 HydrophobicContact CD2-CG 3.93Å; F415-W518 HydrophobicContact CD2-CZ3 4.19Å; F415-W518 HydrophobicContact CE1-CB 4.32Å; F415-W518 HydrophobicContact CE2-CB 4.34Å; F415-W518 HydrophobicContact CE2-CE3 4.39Å; F415-W518 HydrophobicContact CG-CB 3.92Å; F415-W518 AromaticContact CG-CD2 3.66Å; F415-W518 HydrophobicContact CG-CD2 3.66Å; F415-W518 AromaticContact CG-CE3 3.97Å; F415-W518 HydrophobicContact CG-CE3 3.97Å; F415-W518 AromaticContact CG-CG 3.61Å; F415-W518 HydrophobicContact CG-CG 3.61Å
416Q94.8Very high95.1Very high18 Ų1814.1 Ų14.18%0.0847%0.073CC..Hα-helixtrans-58.3-41.4176.3-70.2171.992.100111.8V318 V320 P375 S412 V413 Y418 D419 I420 W518V318-Q416 HydrophobicContact CB-CB 4.47Å; V318-Q416 HydrophobicContact CG1-CB 3.75Å; V318-Q416 HydrophobicContact CG1-CG 4.35Å; V318-Q416 HydrophobicContact CG2-CB 4.01Å; V320-Q416 PolarHBondContact O-NE2 3.27Å; P375-Q416 VanDerWaalsContact CG-NE2 3.32Å; S412-Q416 WeakPolarHBondContact O-CG 3.42Å; S412-Q416 PolarHBondContact O-N 3.46Å; S412-Q416 VanDerWaalsContact O-N 3.09Å; S412-Q416 PolarHBondContact O-NE2 2.92Å; S412-Q416 VanDerWaalsContact O-NE2 3.16Å; V413-Q416 PolarHBondContact O-N 2.88Å; Q416-Y418 VanDerWaalsContact C-N 3.34Å; Q416-Y418 PolarHBondContact O-N 2.85Å; Q416-D419 PolarHBondContact O-N 3.19Å; Q416-I420 WeakPolarHBondContact O-CG1 3.29Å; Q416-I420 PolarHBondContact O-N 2.97Å; Q416-W518 HydrophobicContact CG-CH2 3.87Å; Q416-W518 HydrophobicContact CG-CZ2 3.72Å
417T95Very high95Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-57.6-47.8171.3-56.10000111Y275 I281 V413 F415 D419 I420 L421 L436 Q452Y275-T417 WeakPolarHBondContact CE1-OG1 2.87Å; Y275-T417 VanDerWaalsContact OH-CG2 3.3Å; Y275-T417 WeakPolarHBondContact OH-CG2 3.17Å; Y275-T417 PolarHBondContact OH-OG1 2.97Å; I281-T417 HydrophobicContact CD1-CG2 3.56Å; V413-T417 PolarHBondContact O-N 3.15Å; V413-T417 PolarHBondContact O-OG1 3.14Å; F415-T417 VanDerWaalsContact C-N 3.29Å; F415-T417 PolarHBondContact O-N 3.26Å; T417-D419 PolarHBondContact O-N 2.94Å; T417-I420 PolarHBondContact O-N 3.36Å; T417-L421 HydrophobicContact CG2-CD1 3.84Å; T417-L421 HydrophobicContact CG2-CG 4.19Å; T417-L421 VanDerWaalsContact O-CG 3.29Å; T417-L421 WeakPolarHBondContact O-CG 3.32Å; T417-L421 PolarHBondContact O-N 2.86Å; T417-L436 HydrophobicContact CG2-CD2 4.22Å; T417-Q452 PolarHBondContact OG1-OE1 2.91Å
418Y95.1Very high95Very high30 Ų3015.7 Ų15.712%0.1188%0.081CC..Hα-helixtrans-59.9-44.1-178.7164-95.9000112.7C414 F415 Q416 I420 L421 I422 I455 L515C414-Y418 WeakPolarHBondContact O-CB 3.45Å; C414-Y418 PolarHBondContact O-N 3.19Å; C414-Y418 VanDerWaalsContact O-N 3.11Å; F415-Y418 WeakPolarHBondContact O-CA 3.48Å; F415-Y418 WeakPolarHBondContact O-CB 3.44Å; F415-Y418 PolarHBondContact O-N 3.28Å; Q416-Y418 VanDerWaalsContact C-N 3.34Å; Q416-Y418 PolarHBondContact O-N 2.85Å; Y418-I420 VanDerWaalsContact C-N 3.31Å; Y418-I420 PolarHBondContact O-N 3.11Å; Y418-L421 PolarHBondContact O-N 2.74Å; Y418-I422 HydrophobicContact CD1-CG1 4.5Å; Y418-I422 HydrophobicContact CD2-CD1 4.45Å; Y418-I422 HydrophobicContact CD2-CG1 3.95Å; Y418-I422 HydrophobicContact CE1-CG1 4.01Å; Y418-I422 HydrophobicContact CE2-CD1 3.66Å; Y418-I422 HydrophobicContact CE2-CG1 3.38Å; Y418-I422 HydrophobicContact CG-CG1 4.49Å; Y418-I422 VanDerWaalsContact CZ-CG1 3.43Å; Y418-I422 WeakPolarHBondContact O-CG1 3.46Å; Y418-I422 PolarHBondContact O-N 3.43Å; Y418-I455 HydrophobicContact CG-CG2 4.48Å; Y418-L515 HydrophobicContact CD1-CD1 4.4Å; Y418-L515 HydrophobicContact CD1-CD2 3.4Å; Y418-L515 HydrophobicContact CE1-CD1 3.75Å; Y418-L515 HydrophobicContact CE1-CD2 3.46Å; Y418-L515 VanDerWaalsContact CE1-CD2 3.46Å; Y418-L515 HydrophobicContact CE1-CG 4.16Å; Y418-L515 HydrophobicContact CE2-CD1 4.12Å; Y418-L515 HydrophobicContact CG-CD2 4.01Å
419D94Very high94.8Very high12 Ų1220.5 Ų20.56%0.06411%0.112CC..Hα-helixtrans-62.7-39179.7-64.5-53.3000112P383 Y384 F415 Q416 T417 I422 A423 W518P383-D419 HydrophobicContact CG-CB 4.02Å; Y384-D419 HydrophobicContact CE2-CB 4.49Å; Y384-D419 PolarHBondContact OH-OD1 3.04Å; Y384-D419 PolarHBondContact OH-OD2 3.02Å; Y384-D419 VanDerWaalsContact OH-OD2 3.06Å; F415-D419 PolarHBondContact O-N 3.44Å; Q416-D419 PolarHBondContact O-N 3.19Å; T417-D419 PolarHBondContact O-N 2.94Å; D419-I422 PolarHBondContact O-N 3.38Å; D419-A423 WeakPolarHBondContact O-CB 3.36Å; D419-A423 PolarHBondContact O-N 2.89Å; D419-W518 PolarHBondContact OD2-NE1 2.87Å
420I93.4Very high94.5Very high1 Ų127.4 Ų27.41%0.00514%0.142CC..Hα-helixtrans-67.4-42.1174.2-64.9168.1000111.3I281 L296 V318 A382 Q416 T417 Y418 I422 A423 M424I281-I420 HydrophobicContact CB-CG2 4.17Å; I281-I420 HydrophobicContact CD1-CB 3.84Å; I281-I420 HydrophobicContact CD1-CD1 4.32Å; I281-I420 HydrophobicContact CD1-CG2 3.7Å; I281-I420 HydrophobicContact CG1-CG2 4.37Å; L296-I420 HydrophobicContact CD2-CG2 3.95Å; V318-I420 HydrophobicContact CB-CD1 4.46Å; V318-I420 HydrophobicContact CG2-CD1 3.57Å; A382-I420 WeakPolarHBondContact O-CG1 3.48Å; Q416-I420 WeakPolarHBondContact O-CG1 3.29Å; Q416-I420 PolarHBondContact O-N 2.97Å; T417-I420 PolarHBondContact O-N 3.36Å; Y418-I420 VanDerWaalsContact C-N 3.31Å; Y418-I420 PolarHBondContact O-N 3.11Å; I420-I422 VanDerWaalsContact C-N 3.31Å; I420-I422 PolarHBondContact O-N 3.28Å; I420-A423 PolarHBondContact O-N 3.06Å; I420-M424 HydrophobicContact CG2-CE 4.18Å; I420-M424 WeakPolarHBondContact O-CG 3.46Å; I420-M424 PolarHBondContact O-N 3.23Å
421L94.3Very high93.9Very high4 Ų427.5 Ų27.52%0.02114%0.143CC..Hα-helixtrans-61.7-40.2176.6-68.8172.8000111.4V271 I281 T417 Y418 M424 Q425 L433 L436 A456V271-L421 HydrophobicContact CG1-CD2 3.91Å; I281-L421 HydrophobicContact CD1-CD2 4.35Å; I281-L421 HydrophobicContact CD1-CG 4.3Å; I281-L421 HydrophobicContact CG2-CD2 3.77Å; T417-L421 HydrophobicContact CG2-CD1 3.84Å; T417-L421 HydrophobicContact CG2-CG 4.19Å; T417-L421 VanDerWaalsContact O-CG 3.29Å; T417-L421 WeakPolarHBondContact O-CG 3.32Å; T417-L421 PolarHBondContact O-N 2.86Å; Y418-L421 PolarHBondContact O-N 2.74Å; L421-M424 WeakPolarHBondContact O-CB 3.48Å; L421-M424 PolarHBondContact O-N 3.21Å; L421-Q425 WeakPolarHBondContact O-CB 3.5Å; L421-Q425 PolarHBondContact O-N 3.23Å; L421-L433 HydrophobicContact CB-CD1 4.11Å; L421-L433 HydrophobicContact CB-CD2 3.98Å; L421-L433 HydrophobicContact CD2-CD2 3.71Å; L421-L433 HydrophobicContact CG-CD2 4.28Å; L421-L436 HydrophobicContact CD1-CD2 4.21Å; L421-L436 HydrophobicContact CD2-CD1 4.13Å; L421-A456 HydrophobicContact CD1-CB 4Å
422I93.2Very high93Very high64 Ų6432.7 Ų32.733%0.32817%0.168SC..Hα-helixtrans-66.3-44.2174.7-67.4-57.9000111.4Y418 D419 I420 M424 Q425 V426Y418-I422 HydrophobicContact CD1-CG1 4.5Å; Y418-I422 HydrophobicContact CD2-CD1 4.45Å; Y418-I422 HydrophobicContact CD2-CG1 3.95Å; Y418-I422 HydrophobicContact CE1-CG1 4.01Å; Y418-I422 HydrophobicContact CE2-CD1 3.66Å; Y418-I422 HydrophobicContact CE2-CG1 3.38Å; Y418-I422 HydrophobicContact CG-CG1 4.49Å; Y418-I422 VanDerWaalsContact CZ-CG1 3.43Å; Y418-I422 WeakPolarHBondContact O-CG1 3.46Å; Y418-I422 PolarHBondContact O-N 3.43Å; D419-I422 PolarHBondContact O-N 3.38Å; I420-I422 VanDerWaalsContact C-N 3.31Å; I420-I422 PolarHBondContact O-N 3.28Å; I422-M424 VanDerWaalsContact C-N 3.27Å; I422-M424 PolarHBondContact O-N 3.19Å; I422-Q425 PolarHBondContact O-N 3.18Å; I422-Q425 VanDerWaalsContact O-N 3.14Å; I422-V426 HydrophobicContact CG2-CG2 4.42Å; I422-V426 WeakPolarHBondContact O-CG2 3.36Å; I422-V426 PolarHBondContact O-N 3.1Å
423A93.1Very high92.3Very high6 Ų634.4 Ų34.45%0.0518%0.176CC..Hα-helixtrans-56.3-43.1173.400000111.7H294 L296 P383 D419 I420 V426 D427H294-A423 HydrophobicContact CB-CB 3.85Å; L296-A423 HydrophobicContact CD1-CB 4.09Å; L296-A423 HydrophobicContact CD2-CB 4.37Å; L296-A423 HydrophobicContact CG-CB 4.31Å; P383-A423 HydrophobicContact CB-CB 4.03Å; D419-A423 WeakPolarHBondContact O-CB 3.36Å; D419-A423 PolarHBondContact O-N 2.89Å; I420-A423 PolarHBondContact O-N 3.06Å; A423-V426 PolarHBondContact O-N 2.9Å; A423-D427 PolarHBondContact O-N 2.92Å
424M94.6Very high91.7Very high1 Ų142.7 Ų42.71%0.00521%0.212CC..Hα-helixtrans-63-42.1175.2-77.2-174.4173.900112.5I281 C283 L296 L314 I420 L421 I422 V426 Y428I281-M424 HydrophobicContact CB-CE 4Å; I281-M424 HydrophobicContact CB-SD 4.49Å; I281-M424 HydrophobicContact CG2-CE 3.75Å; I281-M424 HydrophobicContact CG2-SD 3.64Å; I281-M424 VanDerWaalsContact O-CE 3.23Å; I281-M424 WeakPolarHBondContact O-CE 3.35Å; C283-M424 HydrophobicContact CB-SD 3.77Å; L296-M424 HydrophobicContact CD1-CB 4.15Å; L296-M424 HydrophobicContact CD1-CG 3.46Å; L296-M424 VanDerWaalsContact CD1-CG 3.46Å; L296-M424 HydrophobicContact CD2-CG 4.45Å; L314-M424 HydrophobicContact CB-CE 4.42Å; L314-M424 HydrophobicContact CB-CG 4.45Å; L314-M424 WeakPolarHBondContact O-CE 3.37Å; I420-M424 HydrophobicContact CG2-CE 4.18Å; I420-M424 WeakPolarHBondContact O-CG 3.46Å; I420-M424 PolarHBondContact O-N 3.23Å; L421-M424 WeakPolarHBondContact O-CB 3.48Å; L421-M424 PolarHBondContact O-N 3.21Å; I422-M424 VanDerWaalsContact C-N 3.27Å; I422-M424 PolarHBondContact O-N 3.19Å; M424-V426 VanDerWaalsContact C-N 3.32Å; M424-V426 PolarHBondContact O-N 3.37Å; M424-Y428 WeakPolarHBondContact O-CA 3.34Å; M424-Y428 WeakPolarHBondContact O-CB 3.49Å; M424-Y428 PolarHBondContact O-N 3.45Å
425Q93.8Very high91.5Very high56 Ų5649 Ų4926%0.26224%0.236SC..Hα-helixtrans-66.7-34.3179.5-173.57293.400112.4L421 I422 Y428 P429 A431 L433L421-Q425 WeakPolarHBondContact O-CB 3.5Å; L421-Q425 PolarHBondContact O-N 3.23Å; I422-Q425 PolarHBondContact O-N 3.18Å; I422-Q425 VanDerWaalsContact O-N 3.14Å; Q425-Y428 PolarHBondContact NE2-O 3.38Å; Q425-Y428 CarbonylContact O-C 3.55Å; Q425-Y428 VanDerWaalsContact O-C 3.26Å; Q425-P429 PolarHBondContact NE2-O 2.79Å; Q425-P429 WeakPolarHBondContact O-CA 3.27Å; Q425-A431 PolarHBondContact NE2-O 3.36Å; Q425-A431 PolarHBondContact OE1-O 3.46Å; Q425-A431 VanDerWaalsContact OE1-O 3.11Å; Q425-L433 HydrophobicContact CB-CD1 3.74Å; Q425-L433 HydrophobicContact CB-CG 4.41Å; Q425-L433 HydrophobicContact CG-CD1 4.09Å; Q425-L433 VanDerWaalsContact OE1-CG 3.3Å
426V94.1Very high91.4Very high84 Ų8449 Ų4951%0.50924%0.236SC..Hα-helixtrans-74-44.8176.8177.10000111.1H294 I422 A423 M424 Y428H294-V426 WeakPolarHBondContact CE1-CG1 3.31Å; I422-V426 HydrophobicContact CG2-CG2 4.42Å; I422-V426 WeakPolarHBondContact O-CG2 3.36Å; I422-V426 PolarHBondContact O-N 3.1Å; A423-V426 PolarHBondContact O-N 2.9Å; M424-V426 VanDerWaalsContact C-N 3.32Å; M424-V426 PolarHBondContact O-N 3.37Å; V426-Y428 VanDerWaalsContact C-N 3.34Å
427D94.1Very high91.3Very high22 Ų2249.9 Ų49.912%0.11824%0.239CC..Hα-helixtrans-69.8-31.2176.3-77.3-28000112.6V290 S292 R293 H294 L314 A423V290-D427 WeakPolarHBondContact CG1-O 3.46Å; S292-D427 VanDerWaalsContact CA-OD2 3.26Å; S292-D427 WeakPolarHBondContact CA-OD2 3.39Å; S292-D427 VanDerWaalsContact CB-OD2 3.25Å; S292-D427 WeakPolarHBondContact CB-OD2 3.43Å; S292-D427 PolarHBondContact OG-OD2 2.96Å; R293-D427 PolarHBondContact N-OD1 3Å; R293-D427 PolarHBondContact N-OD2 3.17Å; H294-D427 IonicContact CE1-OD1 2.94Å; H294-D427 IonicContact CG-OD1 3.89Å; H294-D427 PolarHBondContact N-OD2 3.46Å; H294-D427 IonicContact ND1-OD1 2.68Å; H294-D427 PolarHBondContact ND1-OD1 2.98Å; H294-D427 IonicContact ND1-OD2 3.32Å; L314-D427 HydrophobicContact CD1-CB 3.82Å; A423-D427 PolarHBondContact O-N 2.92Å
428Y95.4Very high91.3Very high22 Ų2249.9 Ų49.99%0.08624%0.239CC..  trans-13589.7178.7-170.7-120.5000111.7P268 T285 V290 M424 Q425 V426 K430 A431P268-Y428 WeakPolarHBondContact CB-OH 3.19Å; T285-Y428 HydrophobicContact CG2-CD1 4.06Å; T285-Y428 HydrophobicContact CG2-CD2 4.27Å; T285-Y428 HydrophobicContact CG2-CE1 4.17Å; T285-Y428 HydrophobicContact CG2-CE2 4.34Å; T285-Y428 HydrophobicContact CG2-CG 4.1Å; T285-Y428 PolarHBondContact O-OH 2.79Å; V290-Y428 HydrophobicContact CG2-CD2 3.64Å; V290-Y428 HydrophobicContact CG2-CE2 3.97Å; V290-Y428 HydrophobicContact CG2-CG 4.45Å; M424-Y428 WeakPolarHBondContact O-CA 3.34Å; M424-Y428 WeakPolarHBondContact O-CB 3.49Å; M424-Y428 PolarHBondContact O-N 3.45Å; Q425-Y428 PolarHBondContact NE2-O 3.38Å; Q425-Y428 CarbonylContact O-C 3.55Å; Q425-Y428 VanDerWaalsContact O-C 3.26Å; V426-Y428 VanDerWaalsContact C-N 3.34Å; Y428-K430 HydrophobicContact CD1-CB 4.13Å; Y428-K430 HydrophobicContact CD2-CB 4.48Å; Y428-K430 HydrophobicContact CE1-CB 3.59Å; Y428-K430 HydrophobicContact CE2-CB 4.03Å; Y428-K430 HydrophobicContact CE2-CD 4.21Å; Y428-K430 HydrophobicContact CE2-CG 4.49Å; Y428-K430 PolarHBondContact O-N 3.48Å; Y428-A431 HydrophobicContact CD1-CB 4.13Å; Y428-A431 VanDerWaalsContact O-CB 3.29Å; Y428-A431 WeakPolarHBondContact O-CB 3.36Å; Y428-A431 PolarHBondContact O-N 2.62Å
429P92.7Very high91.1Very high105 Ų10549.4 Ų49.468%0.68224%0.238SC*.THydrogen-bonded Turntrans-60-12.2180-28.837.1000116Q425Q425-P429 PolarHBondContact NE2-O 2.79Å; Q425-P429 WeakPolarHBondContact O-CA 3.27Å
430K90.1Very high90.7Very high144 Ų14450.2 Ų50.263%0.62625%0.249SC*.THydrogen-bonded Turntrans-85.8-3.2172.8-65.4179.8-178.8-179.80113.4G269 Y428 H432G269-K430 VanDerWaalsContact CA-O 3.27Å; G269-K430 WeakPolarHBondContact CA-O 3.41Å; Y428-K430 HydrophobicContact CD1-CB 4.13Å; Y428-K430 HydrophobicContact CD2-CB 4.48Å; Y428-K430 HydrophobicContact CE1-CB 3.59Å; Y428-K430 HydrophobicContact CE2-CB 4.03Å; Y428-K430 HydrophobicContact CE2-CD 4.21Å; Y428-K430 HydrophobicContact CE2-CG 4.49Å; Y428-K430 PolarHBondContact O-N 3.48Å; K430-H432 PolarHBondContact O-N 3.09Å
431A83.5Confident90.3Very high4 Ų457.1 Ų57.13%0.03328%0.279CS..  trans-57.1123.4172.100000109.5Q425 Y428 L433Q425-A431 PolarHBondContact NE2-O 3.36Å; Q425-A431 PolarHBondContact OE1-O 3.46Å; Q425-A431 VanDerWaalsContact OE1-O 3.11Å; Y428-A431 HydrophobicContact CD1-CB 4.13Å; Y428-A431 VanDerWaalsContact O-CB 3.29Å; Y428-A431 WeakPolarHBondContact O-CB 3.36Å; Y428-A431 PolarHBondContact O-N 2.62Å; A431-L433 PolarHBondContact O-N 3.41Å
432H76.8Confident90.2Very high111 Ų11157.9 Ų57.951%0.51428%0.283SS..  trans-91.371-177.2-65.4129.8000110.3P268 G269 K430 K434 R435P268-H432 PolarHBondContact O-CE1 3.41Å; P268-H432 PolarHBondContact O-ND1 3.11Å; G269-H432 WeakPolarHBondContact O-CB 3.29Å; G269-H432 PolarHBondContact O-N 3.17Å; K430-H432 PolarHBondContact O-N 3.09Å; H432-K434 PolarHBondContact O-N 3.46Å; H432-R435 PolarHBondContact O-N 3.3Å
433L81.8Confident90.1Very high36 Ų3655.3 Ų55.319%0.18827%0.271CS..THydrogen-bonded Turntrans-63.917.2176.4-65.3-169.1000115.1V271 L421 Q425 A431 T458V271-L433 HydrophobicContact CG2-CD2 4.32Å; L421-L433 HydrophobicContact CB-CD1 4.11Å; L421-L433 HydrophobicContact CB-CD2 3.98Å; L421-L433 HydrophobicContact CD2-CD2 3.71Å; L421-L433 HydrophobicContact CG-CD2 4.28Å; Q425-L433 HydrophobicContact CB-CD1 3.74Å; Q425-L433 HydrophobicContact CB-CG 4.41Å; Q425-L433 HydrophobicContact CG-CD1 4.09Å; Q425-L433 VanDerWaalsContact OE1-CG 3.3Å; A431-L433 PolarHBondContact O-N 3.41Å; L433-T458 VanDerWaalsContact O-CB 3.24Å; L433-T458 WeakPolarHBondContact O-CB 3.42Å; L433-T458 PolarHBondContact O-OG1 3.14Å
434K83.8Confident89.9Confident175 Ų17563 Ų6376%0.76130%0.303SS*.THydrogen-bonded Turntrans-77.9-25.8169-66.4-170177.4-1740113.1H432 T458 T459H432-K434 PolarHBondContact O-N 3.46Å; K434-T458 PolarHBondContact O-OG1 3.4Å; K434-T459 PolarHBondContact O-N 3.32Å; K434-T459 VanDerWaalsContact O-N 3.08Å; K434-T459 PolarHBondContact O-OG1 2.87Å
435R91.5Very high89.8Confident132 Ų13263.9 Ų63.950%0.49831%0.308SS..EExtended strand (participates in β ladder)trans-137.3127176.5-67.9-172-70-167.9-1.7110.9H432 T458 T459 V461H432-R435 PolarHBondContact O-N 3.3Å; R435-T458 PolarHBondContact N-OG1 3.06Å; R435-T459 CarbonylContact C-O 3.51Å; R435-T459 VanDerWaalsContact CA-O 3.32Å; R435-T459 WeakPolarHBondContact CA-O 3.32Å; R435-V461 HydrophobicContact CB-CG2 4.44Å
436L94.5Very high89.8Confident2 Ų264.4 Ų64.41%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-109.3110.4170.5-17965.8000108.9V271 C273 T417 L421 V438 Q452 T458 T459 V460 V461V271-L436 HydrophobicContact CB-CD1 4.33Å; V271-L436 HydrophobicContact CG1-CD1 3.8Å; C273-L436 HydrophobicContact CB-CD1 4.07Å; C273-L436 HydrophobicContact CB-CD2 4.42Å; C273-L436 HydrophobicContact CB-CG 4.48Å; T417-L436 HydrophobicContact CG2-CD2 4.22Å; L421-L436 HydrophobicContact CD1-CD2 4.21Å; L421-L436 HydrophobicContact CD2-CD1 4.13Å; L436-V438 HydrophobicContact CD2-CG1 4.12Å; L436-V438 HydrophobicContact CG-CG1 3.9Å; L436-Q452 HydrophobicContact CD2-CG 4.26Å; L436-T458 HydrophobicContact CB-CG2 3.77Å; L436-T459 PolarHBondContact N-O 2.86Å; L436-V460 HydrophobicContact CB-CG2 4.44Å; L436-V460 HydrophobicContact CD2-CG2 4.48Å; L436-V460 WeakPolarHBondContact O-CA 3.37Å; L436-V461 PolarHBondContact O-N 3.24Å
437R93.6Very high89.9Confident36 Ų3661.1 Ų61.114%0.13629%0.292CS..EExtended strand (participates in β ladder)trans-77.6139.2172.8-61.8-174.6-172.880.5-17.3109.9Q263 Q264 C265 D270 V271 K272 C273 V461Q263-R437 HydrophobicContact CB-CB 4.31Å; Q263-R437 HydrophobicContact CG-CB 4.45Å; Q263-R437 WeakPolarHBondContact O-CD 3.28Å; Q263-R437 PolarHBondContact O-NE 2.96Å; Q264-R437 PolarHBondContact O-NH2 3.23Å; C265-R437 PolarHBondContact SG-NH1 3.03Å; C265-R437 VanDerWaalsContact SG-NH1 3.43Å; D270-R437 IonicContact OD1-CZ 2.69Å; D270-R437 IonicContact OD1-NH1 3.52Å; D270-R437 PolarHBondContact OD1-NH1 3.32Å; D270-R437 IonicContact OD1-NH2 3.87Å; D270-R437 PolarHBondContact OD1-NH2 3.25Å; D270-R437 IonicContact OD2-NH2 2.72Å; V271-R437 PolarHBondContact O-N 3.01Å; K272-R437 CarbonylContact C-O 3.56Å; K272-R437 WeakPolarHBondContact CA-O 3.45Å; K272-R437 HydrophobicContact CB-CB 4.21Å; C273-R437 PolarHBondContact N-O 3.22Å; R437-V461 WeakPolarHBondContact CA-O 3.44Å; R437-V461 HydrophobicContact CG-CB 4.44Å
438V93.3Very high90Very high1 Ų160.1 Ų60.11%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-134.6145.8-172.9-57.10000113.7Q263 C273 Y275 L436 V443 L449 V460 V461 R462Q263-V438 VanDerWaalsContact NE2-C 3.29Å; Q263-V438 PolarHBondContact NE2-O 2.94Å; C273-V438 WeakPolarHBondContact O-CA 3.25Å; Y275-V438 HydrophobicContact CD2-CB 4.36Å; Y275-V438 HydrophobicContact CE2-CB 4.03Å; Y275-V438 HydrophobicContact CE2-CG1 3.71Å; L436-V438 HydrophobicContact CD2-CG1 4.12Å; L436-V438 HydrophobicContact CG-CG1 3.9Å; V438-V443 HydrophobicContact CB-CG1 3.81Å; V438-V443 HydrophobicContact CG2-CB 4.24Å; V438-V443 HydrophobicContact CG2-CG1 3.77Å; V438-L449 HydrophobicContact CG2-CD2 3.83Å; V438-V460 HydrophobicContact CB-CG1 4.45Å; V438-V460 HydrophobicContact CG1-CG1 3.79Å; V438-V460 HydrophobicContact CG2-CG1 3.73Å; V438-V461 WeakPolarHBondContact CG2-O 3.42Å; V438-V461 PolarHBondContact N-O 3.32Å; V438-R462 HydrophobicContact CG2-CB 4.24Å
439D90.7Very high90Very high19 Ų1959 Ų5910%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-148.4-177.9173.155.471.3000110.8Q263 C273 T274 Y275 V443Q263-D439 WeakPolarHBondContact CG-OD2 3.15Å; Q263-D439 PolarHBondContact NE2-OD2 3.25Å; C273-D439 PolarHBondContact O-N 2.73Å; T274-D439 WeakPolarHBondContact CA-O 3.34Å; T274-D439 WeakPolarHBondContact CA-OD1 3.39Å; T274-D439 WeakPolarHBondContact CB-OD1 3.47Å; T274-D439 VanDerWaalsContact CG2-OD1 3.22Å; T274-D439 WeakPolarHBondContact CG2-OD1 3.35Å; T274-D439 PolarHBondContact OG1-OD1 2.95Å; Y275-D439 PolarHBondContact N-O 3.26Å; D439-V443 VanDerWaalsContact O-CG1 3.25Å; D439-V443 WeakPolarHBondContact O-CG1 3.42Å
440G87Confident90.2Very high29 Ų2955.1 Ų55.130%0.29926%0.255SS..EExtended strand (participates in β ladder)trans109.1-163.5-178.200000113.2Y275 V443Y275-G440 CarbonylContact O-C 3.58Å; Y275-G440 WeakPolarHBondContact O-CA 3.36Å; G440-V443 WeakPolarHBondContact O-CG2 3.25Å
441K85.3Confident90.5Very high146 Ų14648.4 Ų48.464%0.63523%0.225SC*.SBendtrans-86.6-37-176.8-69.9-171.3176.9-173.90112.8Y275 V443Y275-K441 PolarHBondContact O-N 2.9Å; K441-V443 VanDerWaalsContact C-N 3.28Å; K441-V443 PolarHBondContact O-N 3.42Å
442M90.6Very high91.1Very high21 Ų2148.2 Ų48.210%0.10322%0.224CC..G310 helixtrans-69.2-24.6-178.4-64.7-173.96600113.2Y275 A321 G322 M325 L410 V413 K444 D445 F448Y275-M442 PolarHBondContact O-N 2.95Å; A321-M442 HydrophobicContact CB-SD 3.95Å; G322-M442 PolarHBondContact N-SD 2.52Å; M325-M442 HydrophobicContact CE-CE 4.08Å; M325-M442 HydrophobicContact CG-CE 4.22Å; L410-M442 HydrophobicContact CD2-CE 4Å; V413-M442 HydrophobicContact CB-CE 4.47Å; V413-M442 HydrophobicContact CG1-CE 4.42Å; V413-M442 HydrophobicContact CG1-SD 4.39Å; V413-M442 HydrophobicContact CG2-CE 4.14Å; M442-K444 PolarHBondContact O-N 3.32Å; M442-D445 PolarHBondContact O-N 3.05Å; M442-F448 HydrophobicContact CB-CD1 3.97Å; M442-F448 HydrophobicContact CB-CE1 3.88Å; M442-F448 HydrophobicContact CE-CD1 4.41Å; M442-F448 HydrophobicContact CE-CD2 3.96Å; M442-F448 HydrophobicContact CE-CE1 4.37Å; M442-F448 HydrophobicContact CE-CE2 3.92Å; M442-F448 HydrophobicContact CE-CG 4.22Å; M442-F448 HydrophobicContact CE-CZ 4.14Å
443V91.1Very high92.1Very high10 Ų1042.9 Ų42.96%0.06120%0.199CC..G310 helixtrans-68.31-176.7-51.40000113.9Y275 V438 D439 G440 K441 L449 R462Y275-V443 HydrophobicContact CD2-CG1 3.69Å; Y275-V443 HydrophobicContact CE2-CG1 4.45Å; V438-V443 HydrophobicContact CB-CG1 3.81Å; V438-V443 HydrophobicContact CG2-CB 4.24Å; V438-V443 HydrophobicContact CG2-CG1 3.77Å; D439-V443 VanDerWaalsContact O-CG1 3.25Å; D439-V443 WeakPolarHBondContact O-CG1 3.42Å; G440-V443 WeakPolarHBondContact O-CG2 3.25Å; K441-V443 VanDerWaalsContact C-N 3.28Å; K441-V443 PolarHBondContact O-N 3.42Å; V443-L449 HydrophobicContact CB-CD1 4.4Å; V443-L449 HydrophobicContact CB-CD2 4.03Å; V443-L449 HydrophobicContact CG1-CD2 4.06Å; V443-L449 WeakPolarHBondContact O-CD1 3.03Å; V443-R462 WeakPolarHBondContact O-CD 3.33Å; V443-R462 PolarHBondContact O-NH1 2.94Å
444K90Very high92.8Very high166 Ų16641.5 Ų41.572%0.72219%0.192SC*.G310 helixtrans-71.2-33.2168.1-66-175.2176.9-172.60112.2M442 N446 R462M442-K444 PolarHBondContact O-N 3.32Å; K444-N446 PolarHBondContact O-N 3.3Å; K444-R462 PolarHBondContact O-NH1 3.37Å; K444-R462 VanDerWaalsContact O-NH1 3.11Å
445D92.6Very high93.3Very high20 Ų2033.1 Ų33.111%0.10716%0.156CC..  trans-74.3117.9-178.4-178.8-35.1000110.4E342 M442 L447 F448 L449E342-D445 WeakPolarHBondContact CB-OD2 3.09Å; E342-D445 WeakPolarHBondContact OE2-CA 3.31Å; M442-D445 PolarHBondContact O-N 3.05Å; D445-L447 WeakPolarHBondContact OD1-CA 3.41Å; D445-L447 WeakPolarHBondContact OD1-CB 3.44Å; D445-L447 PolarHBondContact OD1-N 3.39Å; D445-F448 HydrophobicContact CB-CB 3.87Å; D445-F448 PolarHBondContact OD1-N 2.97Å; D445-L449 WeakPolarHBondContact O-CG 3.43Å; D445-L449 PolarHBondContact O-N 2.92Å
446N94.6Very high93.5Very high67 Ų6727.5 Ų27.536%0.35814%0.137SC..Hα-helixtrans-76-30.7-176.9-56.4-47.2000112.5E342 K444 L449 Q450 R462 F502E342-N446 WeakPolarHBondContact OE1-CB 3.26Å; E342-N446 PolarHBondContact OE1-N 2.96Å; E342-N446 PolarHBondContact OE2-N 3.13Å; K444-N446 PolarHBondContact O-N 3.3Å; N446-L449 PolarHBondContact O-N 3.04Å; N446-Q450 PolarHBondContact O-N 2.98Å; N446-R462 VanDerWaalsContact OD1-CZ 3.3Å; N446-R462 PolarHBondContact OD1-NH1 2.91Å; N446-R462 PolarHBondContact OD1-NH2 3.37Å; N446-F502 HydrophobicContact CB-CE1 4.13Å
447L94.6Very high93.5Very high16 Ų1631.9 Ų31.98%0.08416%0.156CC..Hα-helixtrans-65.3-45174.9170.566.3000109.9E342 A345 L410 D445 L449 Q450 L451E342-L447 HydrophobicContact CG-CB 4.15Å; A345-L447 HydrophobicContact CB-CD2 3.46Å; A345-L447 VanDerWaalsContact CB-CD2 3.46Å; L410-L447 HydrophobicContact CD1-CD2 3.96Å; L410-L447 HydrophobicContact CD1-CG 4.31Å; D445-L447 WeakPolarHBondContact OD1-CA 3.41Å; D445-L447 WeakPolarHBondContact OD1-CB 3.44Å; D445-L447 PolarHBondContact OD1-N 3.39Å; L447-L449 VanDerWaalsContact C-N 3.32Å; L447-L449 PolarHBondContact O-N 2.89Å; L447-Q450 PolarHBondContact O-N 2.94Å; L447-L451 HydrophobicContact CD1-CD1 3.98Å; L447-L451 HydrophobicContact CD1-CD2 4.44Å; L447-L451 HydrophobicContact CD1-CG 3.94Å; L447-L451 HydrophobicContact CD2-CD1 4.44Å; L447-L451 HydrophobicContact CG-CD1 3.86Å; L447-L451 HydrophobicContact CG-CG 4.26Å; L447-L451 WeakPolarHBondContact O-CB 3.49Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.5Å; L447-L451 PolarHBondContact O-N 3.2Å
448F95.8Very high93.5Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-56-46.5175.6171.8-114.7000111.7Y275 L410 V413 M442 D445 Q450 L451 Q452Y275-F448 HydrophobicContact CD1-CE1 4.12Å; Y275-F448 AromaticContact CD1-CZ 3.69Å; Y275-F448 HydrophobicContact CD1-CZ 3.69Å; Y275-F448 AromaticContact CD2-CE1 3.94Å; Y275-F448 HydrophobicContact CD2-CE1 3.94Å; Y275-F448 HydrophobicContact CD2-CZ 4.25Å; Y275-F448 HydrophobicContact CE1-CE1 4.32Å; Y275-F448 AromaticContact CE1-CZ 3.66Å; Y275-F448 HydrophobicContact CE1-CZ 3.66Å; Y275-F448 HydrophobicContact CE2-CE1 4.12Å; Y275-F448 HydrophobicContact CE2-CZ 4.19Å; Y275-F448 AromaticContact CG-CE1 3.92Å; Y275-F448 HydrophobicContact CG-CE1 3.92Å; Y275-F448 AromaticContact CG-CZ 3.99Å; Y275-F448 HydrophobicContact CG-CZ 3.99Å; Y275-F448 AromaticContact CZ-CZ 3.9Å; L410-F448 HydrophobicContact CD2-CB 4.15Å; L410-F448 HydrophobicContact CD2-CD2 4.18Å; L410-F448 HydrophobicContact CD2-CG 4.43Å; V413-F448 HydrophobicContact CB-CE2 3.97Å; V413-F448 HydrophobicContact CG1-CE2 3.83Å; V413-F448 HydrophobicContact CG1-CZ 3.96Å; M442-F448 HydrophobicContact CB-CD1 3.97Å; M442-F448 HydrophobicContact CB-CE1 3.88Å; M442-F448 HydrophobicContact CE-CD1 4.41Å; M442-F448 HydrophobicContact CE-CD2 3.96Å; M442-F448 HydrophobicContact CE-CE1 4.37Å; M442-F448 HydrophobicContact CE-CE2 3.92Å; M442-F448 HydrophobicContact CE-CG 4.22Å; M442-F448 HydrophobicContact CE-CZ 4.14Å; D445-F448 HydrophobicContact CB-CB 3.87Å; D445-F448 PolarHBondContact OD1-N 2.97Å; F448-Q450 PolarHBondContact O-N 3.11Å; F448-L451 PolarHBondContact O-N 2.91Å; F448-Q452 WeakPolarHBondContact O-CB 3.44Å; F448-Q452 PolarHBondContact O-N 2.82Å
449L96.4Very high93.6Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-65.7-38.4178.6-64.7-174000113.1V438 V443 D445 N446 L447 Q452 S453 V460 R462 F502V438-L449 HydrophobicContact CG2-CD2 3.83Å; V443-L449 HydrophobicContact CB-CD1 4.4Å; V443-L449 HydrophobicContact CB-CD2 4.03Å; V443-L449 HydrophobicContact CG1-CD2 4.06Å; V443-L449 WeakPolarHBondContact O-CD1 3.03Å; D445-L449 WeakPolarHBondContact O-CG 3.43Å; D445-L449 PolarHBondContact O-N 2.92Å; N446-L449 PolarHBondContact O-N 3.04Å; L447-L449 VanDerWaalsContact C-N 3.32Å; L447-L449 PolarHBondContact O-N 2.89Å; L449-Q452 PolarHBondContact O-N 3.2Å; L449-S453 WeakPolarHBondContact O-CB 3.36Å; L449-S453 PolarHBondContact O-N 3.49Å; L449-V460 HydrophobicContact CB-CG1 4.39Å; L449-V460 HydrophobicContact CD2-CG1 3.92Å; L449-R462 HydrophobicContact CD1-CB 3.94Å; L449-R462 HydrophobicContact CD1-CG 4.43Å; L449-F502 HydrophobicContact CB-CD1 3.81Å; L449-F502 HydrophobicContact CB-CD2 3.92Å; L449-F502 HydrophobicContact CB-CE1 3.88Å; L449-F502 HydrophobicContact CB-CE2 4.01Å; L449-F502 HydrophobicContact CB-CG 3.85Å; L449-F502 HydrophobicContact CB-CZ 3.99Å; L449-F502 HydrophobicContact CD1-CD2 3.99Å; L449-F502 HydrophobicContact CD1-CE1 4.41Å; L449-F502 HydrophobicContact CD1-CE2 3.44Å; L449-F502 VanDerWaalsContact CD1-CE2 3.44Å; L449-F502 HydrophobicContact CD1-CZ 3.68Å; L449-F502 HydrophobicContact CG-CE2 4.39Å; L449-F502 HydrophobicContact CG-CZ 4.47Å
450Q96.7Very high93.9Very high23 Ų2330.5 Ų30.511%0.10715%0.153CC..Hα-helixtrans-64-47.8173.2-174.2626600111.5N446 L447 F448 Q452 S453 D454 F502 E503 K505N446-Q450 PolarHBondContact O-N 2.98Å; L447-Q450 PolarHBondContact O-N 2.94Å; F448-Q450 PolarHBondContact O-N 3.11Å; Q450-Q452 VanDerWaalsContact C-N 3.27Å; Q450-Q452 PolarHBondContact O-N 3.04Å; Q450-S453 WeakPolarHBondContact O-CB 3.49Å; Q450-S453 PolarHBondContact O-N 3.22Å; Q450-D454 PolarHBondContact NE2-OD1 2.86Å; Q450-D454 WeakPolarHBondContact O-CB 3.19Å; Q450-D454 PolarHBondContact O-N 3.16Å; Q450-F502 HydrophobicContact CB-CD1 4.47Å; Q450-E503 PolarHBondContact NE2-O 2.92Å; Q450-K505 HydrophobicContact CG-CD 4.45Å
451L95.9Very high94.2Very high2 Ų229.4 Ų29.41%0.0114%0.14CC..Hα-helixtrans-59.8-39176.2-70172.5000111.4L410 E411 L447 F448 D454 I455L410-L451 HydrophobicContact CB-CD1 3.99Å; L410-L451 HydrophobicContact CD1-CD1 4.43Å; E411-L451 HydrophobicContact CG-CD1 4Å; E411-L451 HydrophobicContact CG-CD2 4.07Å; L447-L451 HydrophobicContact CD1-CD1 3.98Å; L447-L451 HydrophobicContact CD1-CD2 4.44Å; L447-L451 HydrophobicContact CD1-CG 3.94Å; L447-L451 HydrophobicContact CD2-CD1 4.44Å; L447-L451 HydrophobicContact CG-CD1 3.86Å; L447-L451 HydrophobicContact CG-CG 4.26Å; L447-L451 WeakPolarHBondContact O-CB 3.49Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.5Å; L447-L451 PolarHBondContact O-N 3.2Å; F448-L451 PolarHBondContact O-N 2.91Å; L451-D454 PolarHBondContact O-N 3.46Å; L451-I455 WeakPolarHBondContact O-CB 3.39Å; L451-I455 WeakPolarHBondContact O-CG1 3.19Å; L451-I455 PolarHBondContact O-N 3.34Å
452Q97.2Very high94.6Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-66.6-41.4177.9-175.161.591.400111.6Y275 C414 T417 L436 F448 L449 Q450 A456 V460Y275-Q452 PolarHBondContact OH-OE1 3.34Å; C414-Q452 PolarHBondContact O-NE2 3.36Å; C414-Q452 PolarHBondContact SG-N 2.88Å; C414-Q452 VanDerWaalsContact SG-N 3.43Å; T417-Q452 PolarHBondContact OG1-OE1 2.91Å; L436-Q452 HydrophobicContact CD2-CG 4.26Å; F448-Q452 WeakPolarHBondContact O-CB 3.44Å; F448-Q452 PolarHBondContact O-N 2.82Å; L449-Q452 PolarHBondContact O-N 3.2Å; Q450-Q452 VanDerWaalsContact C-N 3.27Å; Q450-Q452 PolarHBondContact O-N 3.04Å; Q452-A456 WeakPolarHBondContact O-CB 3.46Å; Q452-A456 PolarHBondContact O-N 3.04Å; Q452-V460 HydrophobicContact CB-CG2 4.3Å; Q452-V460 HydrophobicContact CG-CG2 4.06Å
453S97.3Very high94.2Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-63.3-46.1174.4179.30000111.7L449 Q450 F457 T458 F502 P504L449-S453 WeakPolarHBondContact O-CB 3.36Å; L449-S453 PolarHBondContact O-N 3.49Å; Q450-S453 WeakPolarHBondContact O-CB 3.49Å; Q450-S453 PolarHBondContact O-N 3.22Å; S453-F457 WeakPolarHBondContact O-CA 3.37Å; S453-F457 PolarHBondContact O-N 2.75Å; S453-T458 WeakPolarHBondContact CA-O 3.49Å; S453-T458 WeakPolarHBondContact CB-O 3.29Å; S453-T458 PolarHBondContact O-N 3.3Å; S453-T458 PolarHBondContact OG-O 2.91Å; S453-F502 WeakPolarHBondContact CB-O 3.49Å; S453-F502 PolarHBondContact OG-O 2.61Å; S453-P504 WeakPolarHBondContact OG-CD 3.39Å; S453-P504 VanDerWaalsContact OG-N 3.07Å
454D96.1Very high93.5Very high6 Ų629 Ų293%0.03214%0.139CC..Hα-helixtrans-58.6-49.3177.8-73.6-15.2000112.2Q450 L451 K505 I506Q450-D454 PolarHBondContact NE2-OD1 2.86Å; Q450-D454 WeakPolarHBondContact O-CB 3.19Å; Q450-D454 PolarHBondContact O-N 3.16Å; L451-D454 PolarHBondContact O-N 3.46Å; D454-K505 PolarHBondContact OD1-N 3.25Å; D454-I506 HydrophobicContact CB-CD1 3.79Å; D454-I506 HydrophobicContact CB-CG1 3.73Å; D454-I506 HydrophobicContact CB-CG2 4.13Å
455I95.8Very high92.3Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-76-43.5-177.3-65.9-50.1000112.5C414 F415 Y418 L451 F457 I506 R511 L515C414-I455 HydrophobicContact CB-CB 4.1Å; C414-I455 HydrophobicContact CB-CG1 4.16Å; C414-I455 HydrophobicContact CB-CG2 4.31Å; F415-I455 HydrophobicContact CD1-CD1 4.42Å; F415-I455 HydrophobicContact CD1-CG1 4.37Å; F415-I455 HydrophobicContact CD1-CG2 3.56Å; F415-I455 HydrophobicContact CE1-CD1 3.62Å; F415-I455 HydrophobicContact CE1-CG1 3.96Å; F415-I455 HydrophobicContact CE1-CG2 3.91Å; F415-I455 HydrophobicContact CZ-CD1 4.22Å; Y418-I455 HydrophobicContact CG-CG2 4.48Å; L451-I455 WeakPolarHBondContact O-CB 3.39Å; L451-I455 WeakPolarHBondContact O-CG1 3.19Å; L451-I455 PolarHBondContact O-N 3.34Å; I455-F457 PolarHBondContact O-N 3.37Å; I455-I506 HydrophobicContact CD1-CD1 4.35Å; I455-R511 PolarHBondContact O-NE 3.17Å; I455-R511 PolarHBondContact O-NH2 2.76Å; I455-R511 VanDerWaalsContact O-NH2 3.16Å; I455-L515 HydrophobicContact CG2-CD2 4.09Å
456A94.5Very high90.8Very high13 Ų1326.6 Ų26.611%0.10714%0.137CC..Hα-helixtrans-72.7-21.8176.100000112.4L421 Q452 T458 R511L421-A456 HydrophobicContact CD1-CB 4Å; Q452-A456 WeakPolarHBondContact O-CB 3.46Å; Q452-A456 PolarHBondContact O-N 3.04Å; A456-T458 HydrophobicContact CB-CG2 3.64Å; A456-R511 PolarHBondContact O-NH2 3.25Å
457F93.9Very high89.8Confident94 Ų9425.7 Ų25.741%0.41213%0.131SC..THydrogen-bonded Turntrans57.450.5-172.6-151.3-104000111.9S453 I455 P504 R511S453-F457 WeakPolarHBondContact O-CA 3.37Å; S453-F457 PolarHBondContact O-N 2.75Å; I455-F457 PolarHBondContact O-N 3.37Å; F457-P504 HydrophobicContact CD2-CB 3.83Å; F457-P504 HydrophobicContact CD2-CG 4.27Å; F457-P504 HydrophobicContact CE2-CB 4.02Å; F457-P504 HydrophobicContact CG-CB 4.47Å; F457-P504 HydrophobicContact CG-CG 4.43Å; F457-R511 VanDerWaalsContact CB-CZ 3.41Å
458T94.2Very high89.4Confident6 Ų625.3 Ų25.34%0.03713%0.131CC..SBendtrans-140.4150.5-173.7-162.60000109.9L433 K434 R435 L436 S453 A456 V460L433-T458 VanDerWaalsContact O-CB 3.24Å; L433-T458 WeakPolarHBondContact O-CB 3.42Å; L433-T458 PolarHBondContact O-OG1 3.14Å; K434-T458 PolarHBondContact O-OG1 3.4Å; R435-T458 PolarHBondContact N-OG1 3.06Å; L436-T458 HydrophobicContact CB-CG2 3.77Å; S453-T458 WeakPolarHBondContact CA-O 3.49Å; S453-T458 WeakPolarHBondContact CB-O 3.29Å; S453-T458 PolarHBondContact O-N 3.3Å; S453-T458 PolarHBondContact OG-O 2.91Å; A456-T458 HydrophobicContact CB-CG2 3.64Å; T458-V460 HydrophobicContact CG2-CG2 3.96Å; T458-V460 PolarHBondContact O-N 3.08Å
459T95.9Very high89.3Confident21 Ų2126.3 Ų26.313%0.12914%0.137CC..EExtended strand (participates in β ladder)trans-68.8114.9168.7-49.50000108.6K434 R435 L436 V461 H501 F502 E503K434-T459 PolarHBondContact O-N 3.32Å; K434-T459 VanDerWaalsContact O-N 3.08Å; K434-T459 PolarHBondContact O-OG1 2.87Å; R435-T459 CarbonylContact C-O 3.51Å; R435-T459 VanDerWaalsContact CA-O 3.32Å; R435-T459 WeakPolarHBondContact CA-O 3.32Å; L436-T459 PolarHBondContact N-O 2.86Å; T459-V461 HydrophobicContact CG2-CG2 4.09Å; T459-H501 HydrophobicContact CG2-CB 4.21Å; T459-F502 CarbonylContact C-O 3.52Å; T459-F502 WeakPolarHBondContact CA-O 3.17Å; T459-E503 WeakPolarHBondContact CB-OE2 3.24Å; T459-E503 WeakPolarHBondContact CG2-OE1 3.49Å; T459-E503 VanDerWaalsContact OG1-CD 3.32Å; T459-E503 PolarHBondContact OG1-OE1 3.11Å; T459-E503 PolarHBondContact OG1-OE2 2.83Å
460V96.4Very high89.2Confident0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-87.4126.7174171.80000108.7L436 V438 L449 Q452 T458 F502L436-V460 HydrophobicContact CB-CG2 4.44Å; L436-V460 HydrophobicContact CD2-CG2 4.48Å; L436-V460 WeakPolarHBondContact O-CA 3.37Å; V438-V460 HydrophobicContact CB-CG1 4.45Å; V438-V460 HydrophobicContact CG1-CG1 3.79Å; V438-V460 HydrophobicContact CG2-CG1 3.73Å; L449-V460 HydrophobicContact CB-CG1 4.39Å; L449-V460 HydrophobicContact CD2-CG1 3.92Å; Q452-V460 HydrophobicContact CB-CG2 4.3Å; Q452-V460 HydrophobicContact CG-CG2 4.06Å; T458-V460 HydrophobicContact CG2-CG2 3.96Å; T458-V460 PolarHBondContact O-N 3.08Å; V460-F502 HydrophobicContact CB-CB 4.21Å; V460-F502 PolarHBondContact N-O 3.08Å; V460-F502 PolarHBondContact O-N 3.16Å
461V93.9Very high89.1Confident6 Ų625.6 Ų25.64%0.03613%0.134CC..EExtended strand (participates in β ladder)trans-115.6109.4-172.7-173.10000109.9R435 L436 R437 V438 T459 N499 E500R435-V461 HydrophobicContact CB-CG2 4.44Å; L436-V461 PolarHBondContact O-N 3.24Å; R437-V461 WeakPolarHBondContact CA-O 3.44Å; R437-V461 HydrophobicContact CG-CB 4.44Å; V438-V461 WeakPolarHBondContact CG2-O 3.42Å; V438-V461 PolarHBondContact N-O 3.32Å; T459-V461 HydrophobicContact CG2-CG2 4.09Å; V461-N499 HydrophobicContact CG1-CB 3.81Å; V461-E500 WeakPolarHBondContact CA-O 3.39Å
462R92.6Very high89.1Confident32 Ų3225.5 Ų25.512%0.12113%0.134CC..EExtended strand (participates in β ladder)trans-96.1121.8174.1169.816971.6-168.77.1109.9V438 V443 K444 N446 L449 N499 E500 F502V438-R462 HydrophobicContact CG2-CB 4.24Å; V443-R462 WeakPolarHBondContact O-CD 3.33Å; V443-R462 PolarHBondContact O-NH1 2.94Å; K444-R462 PolarHBondContact O-NH1 3.37Å; K444-R462 VanDerWaalsContact O-NH1 3.11Å; N446-R462 VanDerWaalsContact OD1-CZ 3.3Å; N446-R462 PolarHBondContact OD1-NH1 2.91Å; N446-R462 PolarHBondContact OD1-NH2 3.37Å; L449-R462 HydrophobicContact CD1-CB 3.94Å; L449-R462 HydrophobicContact CD1-CG 4.43Å; R462-N499 CarbonylContact O-C 3.52Å; R462-N499 WeakPolarHBondContact O-CA 3.42Å; R462-E500 IonicContact CZ-OE2 2.81Å; R462-E500 VanDerWaalsContact CZ-OE2 3.3Å; R462-E500 PolarHBondContact N-O 3.31Å; R462-E500 IonicContact NE-OE2 2.96Å; R462-E500 PolarHBondContact NE-OE2 3.06Å; R462-E500 IonicContact NH2-OE2 2.83Å; R462-E500 PolarHBondContact NH2-OE2 3.01Å; R462-E500 PolarHBondContact O-N 3.3Å; R462-F502 HydrophobicContact CB-CE2 4.34Å
463S83.8Confident89.1Confident22 Ų2225.5 Ų25.515%0.15413%0.134CC..EExtended strand (participates in β ladder)trans-76.9132.7167.6175.80000111L465 N499S463-L465 PolarHBondContact OG-N 3.27Å; S463-N499 WeakPolarHBondContact CA-OD1 3.41Å
464K75Confident89.1Confident116 Ų11625.5 Ų25.550%0.50413%0.134SC..SBendtrans-75.3-10.5167.3-72179.8171.7169.90113.6V466 H498 E500K464-V466 VanDerWaalsContact C-N 3.29Å; K464-V466 PolarHBondContact O-N 2.93Å; K464-V466 VanDerWaalsContact O-N 3.13Å; K464-H498 HydrophobicContact CB-CB 4.3Å; K464-H498 WeakPolarHBondContact CB-O 3.26Å; K464-H498 VanDerWaalsContact CG-O 3.27Å; K464-H498 WeakPolarHBondContact CG-O 3.28Å; K464-H498 PolarHBondContact N-O 2.92Å; K464-E500 WeakPolarHBondContact CE-OE1 3.33Å; K464-E500 IonicContact NZ-OE1 3.58Å; K464-E500 PolarHBondContact NZ-OE1 3.43Å
465L66.4Low89.1Confident28 Ų2825.2 Ų25.215%0.14713%0.132CC..SBendtrans-89.178.6175.1-60174.3000107.8L33 S463 E467 W495 H498L33-L465 HydrophobicContact CD2-CD1 3.94Å; L33-L465 HydrophobicContact CD2-CD2 3.39Å; L33-L465 HydrophobicContact CD2-CG 4.32Å; S463-L465 PolarHBondContact OG-N 3.27Å; L465-E467 PolarHBondContact O-N 3.37Å; L465-W495 HydrophobicContact CD1-CG 4.48Å; L465-H498 HydrophobicContact CD1-CB 4.24Å; L465-H498 HydrophobicContact CG-CB 4.08Å
466V60Low89.1Confident106 Ų10625.2 Ų25.264%0.64213%0.132SC*.  trans-80.386-167.2-171.60000110.9K464K464-V466 VanDerWaalsContact C-N 3.29Å; K464-V466 PolarHBondContact O-N 2.93Å; K464-V466 VanDerWaalsContact O-N 3.13Å
467E74.8Confident89.3Confident48 Ų4824.6 Ų24.622%0.22413%0.127CC..  trans-176.861.9147.4-104.2174.7164.100110.5R23 V25 L465 T469 A470 L471R23-E467 WeakPolarHBondContact CD-OE1 3.35Å; R23-E467 IonicContact CZ-OE1 2.69Å; R23-E467 IonicContact NE-OE1 3.96Å; R23-E467 IonicContact NH1-OE1 2.66Å; R23-E467 PolarHBondContact NH1-OE1 3.32Å; V25-E467 VanDerWaalsContact CG2-OE2 3.27Å; V25-E467 WeakPolarHBondContact CG2-OE2 3.24Å; L465-E467 PolarHBondContact O-N 3.37Å; E467-T469 PolarHBondContact O-N 2.83Å; E467-T469 VanDerWaalsContact O-N 3.13Å; E467-A470 HydrophobicContact CB-CB 4.34Å; E467-A470 PolarHBondContact O-N 3.11Å; E467-A470 VanDerWaalsContact O-N 3.16Å; E467-L471 WeakPolarHBondContact O-CB 3.48Å; E467-L471 PolarHBondContact O-N 2.96Å
468G85.7Confident89.5Confident9 Ų920.1 Ų20.19%0.09311%0.107CC..Hα-helixtrans-53.3-35.8-173.500000114.9G262 G472G262-G468 WeakPolarHBondContact CA-O 3.28Å; G468-G472 PolarHBondContact O-N 2.82Å
469T93Very high89.6Confident21 Ų2121 Ų2113%0.12911%0.114CC..Hα-helixtrans-60.2-59174.1-580000112D16 T85 D255 A258 E467 L471 G472 A473D16-T469 WeakPolarHBondContact OD1-CG2 3.33Å; T85-T469 HydrophobicContact CG2-CG2 3.79Å; T85-T469 WeakPolarHBondContact OG1-CG2 3.39Å; D255-T469 HydrophobicContact CB-CG2 3.99Å; A258-T469 HydrophobicContact CB-CG2 4.24Å; A258-T469 VanDerWaalsContact CB-O 3.31Å; A258-T469 WeakPolarHBondContact CB-O 3.49Å; E467-T469 PolarHBondContact O-N 2.83Å; E467-T469 VanDerWaalsContact O-N 3.13Å; T469-L471 VanDerWaalsContact C-N 3.29Å; T469-L471 PolarHBondContact O-N 3.19Å; T469-G472 PolarHBondContact O-N 3.5Å; T469-A473 PolarHBondContact O-N 3.43Å
470A94.8Very high89.5Confident0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-62.1-38.6-179.900000111.7A14 D16 V25 F27 E467 G472 A473 A474A14-A470 HydrophobicContact CB-CB 4.02Å; A14-A470 WeakPolarHBondContact CB-O 3.41Å; D16-A470 HydrophobicContact CB-CB 4.22Å; V25-A470 HydrophobicContact CB-CB 4.31Å; V25-A470 HydrophobicContact CG2-CB 3.86Å; F27-A470 HydrophobicContact CE2-CB 4.12Å; F27-A470 HydrophobicContact CZ-CB 4.09Å; E467-A470 HydrophobicContact CB-CB 4.34Å; E467-A470 PolarHBondContact O-N 3.11Å; E467-A470 VanDerWaalsContact O-N 3.16Å; A470-G472 PolarHBondContact O-N 3.06Å; A470-A473 PolarHBondContact O-N 3.46Å; A470-A474 PolarHBondContact O-N 3.46Å
471L94.1Very high89.5Confident7 Ų723.2 Ų23.24%0.03713%0.132CC..Hα-helixtrans-59.8-42.2175.8177.558.2000112.4F27 F32 E467 T469 A473 A474 L475 W495F27-L471 HydrophobicContact CD1-CD1 4.33Å; F27-L471 HydrophobicContact CE1-CB 4.31Å; F27-L471 HydrophobicContact CE1-CD1 4.18Å; F27-L471 HydrophobicContact CZ-CB 4.1Å; F32-L471 HydrophobicContact CB-CD1 3.71Å; F32-L471 HydrophobicContact CD1-CD1 4.35Å; F32-L471 HydrophobicContact CG-CD1 4.43Å; E467-L471 WeakPolarHBondContact O-CB 3.48Å; E467-L471 PolarHBondContact O-N 2.96Å; T469-L471 VanDerWaalsContact C-N 3.29Å; T469-L471 PolarHBondContact O-N 3.19Å; L471-A473 VanDerWaalsContact C-N 3.35Å; L471-A473 PolarHBondContact O-N 3.27Å; L471-A474 PolarHBondContact O-N 3.33Å; L471-L475 HydrophobicContact CD1-CD1 4.14Å; L471-L475 HydrophobicContact CD1-CG 4.12Å; L471-L475 HydrophobicContact CG-CD1 3.95Å; L471-L475 HydrophobicContact CG-CG 4.43Å; L471-L475 WeakPolarHBondContact O-CD1 3.3Å; L471-L475 VanDerWaalsContact O-CG 3.25Å; L471-L475 WeakPolarHBondContact O-CG 3.42Å; L471-L475 PolarHBondContact O-N 2.89Å; L471-W495 HydrophobicContact CD1-CZ2 4.15Å; L471-W495 HydrophobicContact CD2-CZ2 3.83Å; L471-W495 HydrophobicContact CG-CZ2 4.31Å
472G95.1Very high89.5Confident0 Ų026 Ų260%016%0.161CC..Hα-helixtrans-60.2-41.8176.600000113.7A258 G468 T469 A470 L475 M476A258-G472 WeakPolarHBondContact O-CA 3.45Å; G468-G472 PolarHBondContact O-N 2.82Å; T469-G472 PolarHBondContact O-N 3.5Å; A470-G472 PolarHBondContact O-N 3.06Å; G472-L475 PolarHBondContact O-N 3.11Å; G472-M476 WeakPolarHBondContact O-CG 3.28Å; G472-M476 PolarHBondContact O-N 2.85Å
473A97.8Very high89.5Confident0 Ų027.8 Ų27.80%017%0.173CC..Hα-helixtrans-66.1-40.8174.600000112.1A14 T85 T469 A470 L471 M476 A477A14-A473 HydrophobicContact CB-CB 4.3Å; T85-A473 HydrophobicContact CG2-CB 3.6Å; T469-A473 PolarHBondContact O-N 3.43Å; A470-A473 PolarHBondContact O-N 3.46Å; L471-A473 VanDerWaalsContact C-N 3.35Å; L471-A473 PolarHBondContact O-N 3.27Å; A473-M476 PolarHBondContact O-N 2.76Å; A473-A477 PolarHBondContact O-N 3.41Å
474A97.1Very high90Very high0 Ų027.4 Ų27.40%017%0.168CC..Hα-helixtrans-61.9-43.8175.100000112.3I12 A14 F27 A470 L471 M476 A477 A478I12-A474 HydrophobicContact CB-CB 4.48Å; I12-A474 HydrophobicContact CG2-CB 3.89Å; I12-A474 WeakPolarHBondContact CG2-O 3.2Å; A14-A474 HydrophobicContact CB-CB 4.23Å; F27-A474 HydrophobicContact CD2-CB 3.47Å; F27-A474 VanDerWaalsContact CD2-CB 3.47Å; F27-A474 HydrophobicContact CE2-CB 3.86Å; F27-A474 HydrophobicContact CG-CB 4.2Å; A470-A474 PolarHBondContact O-N 3.46Å; L471-A474 PolarHBondContact O-N 3.33Å; A474-M476 VanDerWaalsContact C-N 3.31Å; A474-M476 PolarHBondContact O-N 3.35Å; A474-A477 PolarHBondContact O-N 3.49Å; A474-A478 VanDerWaalsContact O-CB 3.31Å; A474-A478 WeakPolarHBondContact O-CB 3.5Å; A474-A478 PolarHBondContact O-N 2.84Å
475L95.8Very high90.8Very high0 Ų025.3 Ų25.30%016%0.162CC..Hα-helixtrans-62-38.3178.4-68.9161.7000112.2F32 V261 L471 G472 S479 Y484 F486 L491 W495F32-L475 HydrophobicContact CD1-CD2 3.72Å; F32-L475 HydrophobicContact CD1-CG 4.29Å; F32-L475 HydrophobicContact CD2-CD2 4.24Å; F32-L475 HydrophobicContact CE1-CD2 3.85Å; F32-L475 HydrophobicContact CE2-CD2 4.36Å; F32-L475 HydrophobicContact CG-CD2 3.93Å; F32-L475 HydrophobicContact CZ-CD2 4.18Å; V261-L475 HydrophobicContact CG1-CB 4.39Å; V261-L475 HydrophobicContact CG1-CD1 4.37Å; L471-L475 HydrophobicContact CD1-CD1 4.14Å; L471-L475 HydrophobicContact CD1-CG 4.12Å; L471-L475 HydrophobicContact CG-CD1 3.95Å; L471-L475 HydrophobicContact CG-CG 4.43Å; L471-L475 WeakPolarHBondContact O-CD1 3.3Å; L471-L475 VanDerWaalsContact O-CG 3.25Å; L471-L475 WeakPolarHBondContact O-CG 3.42Å; L471-L475 PolarHBondContact O-N 2.89Å; G472-L475 PolarHBondContact O-N 3.11Å; L475-S479 WeakPolarHBondContact O-CB 3.45Å; L475-S479 PolarHBondContact O-N 3.23Å; L475-Y484 HydrophobicContact CB-CD1 4.36Å; L475-Y484 HydrophobicContact CB-CE1 4.43Å; L475-Y484 HydrophobicContact CD2-CD1 4.02Å; L475-Y484 HydrophobicContact CD2-CD2 4.1Å; L475-Y484 HydrophobicContact CD2-CE1 3.83Å; L475-Y484 HydrophobicContact CD2-CE2 3.94Å; L475-Y484 HydrophobicContact CD2-CG 4.14Å; L475-F486 HydrophobicContact CB-CE1 4.5Å; L475-F486 HydrophobicContact CB-CZ 4.05Å; L475-L491 HydrophobicContact CD2-CD1 3.99Å; L475-W495 HydrophobicContact CD1-CH2 3.67Å; L475-W495 HydrophobicContact CD1-CZ2 4.21Å; L475-W495 HydrophobicContact CD2-CH2 3.81Å; L475-W495 HydrophobicContact CD2-CZ2 4.29Å; L475-W495 HydrophobicContact CG-CH2 4.37Å
476M97.3Very high91.9Very high1 Ų125.3 Ų25.31%0.00516%0.161CC..Hα-helixtrans-70.9-40.6175.9-70.4-75-178.100111.9C231 S232 L253 V261 Y302 I304 G472 A473 A474 A478 S479 G480 F486C231-M476 HydrophobicContact CB-SD 4.18Å; S232-M476 PolarHBondContact OG-O 3.25Å; L253-M476 HydrophobicContact CD1-CB 3.74Å; L253-M476 HydrophobicContact CD1-CG 3.53Å; L253-M476 HydrophobicContact CD2-CE 4.26Å; L253-M476 HydrophobicContact CD2-CG 4.22Å; L253-M476 HydrophobicContact CG-CG 4.45Å; V261-M476 HydrophobicContact CB-CE 4.42Å; V261-M476 HydrophobicContact CG1-CE 3.86Å; V261-M476 HydrophobicContact CG1-CG 4.29Å; V261-M476 HydrophobicContact CG2-CE 3.62Å; Y302-M476 HydrophobicContact CD2-CE 4.2Å; Y302-M476 HydrophobicContact CG-CE 3.99Å; I304-M476 HydrophobicContact CD1-CE 4.28Å; I304-M476 HydrophobicContact CG1-CE 3.66Å; I304-M476 HydrophobicContact CG1-SD 3.83Å; G472-M476 WeakPolarHBondContact O-CG 3.28Å; G472-M476 PolarHBondContact O-N 2.85Å; A473-M476 PolarHBondContact O-N 2.76Å; A474-M476 VanDerWaalsContact C-N 3.31Å; A474-M476 PolarHBondContact O-N 3.35Å; M476-A478 PolarHBondContact O-N 2.71Å; M476-S479 WeakPolarHBondContact O-CB 3.38Å; M476-S479 PolarHBondContact O-N 3.09Å; M476-G480 PolarHBondContact O-N 3.37Å; M476-F486 HydrophobicContact CE-CE1 4.2Å; M476-F486 HydrophobicContact CE-CE2 4.09Å; M476-F486 HydrophobicContact CE-CZ 3.63Å; M476-F486 HydrophobicContact CG-CZ 4.11Å; M476-F486 HydrophobicContact SD-CE2 3.69Å; M476-F486 HydrophobicContact SD-CZ 3.66Å
477A98.3Very high93Very high0 Ų028.9 Ų28.90%017%0.168CC..Hα-helixtrans-63.5-39.5173.100000113I12 A81 I82 Y250 A473 A474 S479 G480 T481I12-A477 HydrophobicContact CG2-CB 3.94Å; A81-A477 HydrophobicContact CB-CB 4.12Å; I82-A477 VanDerWaalsContact C-CB 3.49Å; I82-A477 WeakPolarHBondContact O-CB 3.45Å; Y250-A477 WeakPolarHBondContact CB-O 3.48Å; A473-A477 PolarHBondContact O-N 3.41Å; A474-A477 PolarHBondContact O-N 3.49Å; A477-S479 VanDerWaalsContact C-N 3.35Å; A477-G480 PolarHBondContact O-N 3.41Å; A477-T481 PolarHBondContact O-N 3.01Å
478A97Very high93.2Very high0 Ų033.3 Ų33.30%019%0.186CC..Hα-helixtrans-68.8-31.7174.600000112.8I12 F32 A474 M476 T481 G482 L483 Y484I12-A478 HydrophobicContact CD1-CB 4.01Å; I12-A478 HydrophobicContact CG1-CB 3.99Å; F32-A478 HydrophobicContact CE1-CB 3.6Å; F32-A478 HydrophobicContact CZ-CB 3.59Å; A474-A478 VanDerWaalsContact O-CB 3.31Å; A474-A478 WeakPolarHBondContact O-CB 3.5Å; A474-A478 PolarHBondContact O-N 2.84Å; M476-A478 PolarHBondContact O-N 2.71Å; A478-T481 PolarHBondContact O-N 2.93Å; A478-T481 PolarHBondContact O-OG1 3.21Å; A478-G482 PolarHBondContact O-N 2.63Å; A478-L483 HydrophobicContact CB-CB 4.38Å; A478-L483 PolarHBondContact O-N 3.17Å; A478-Y484 PolarHBondContact O-N 2.69Å
479S96.3Very high92.2Very high25 Ų2535 Ų3518%0.17520%0.197CC..Hα-helixtrans-66.6-39.2172-176.50000111.5S232 L475 M476 A477 T481 G482S232-S479 PolarHBondContact OG-OG 3.32Å; L475-S479 WeakPolarHBondContact O-CB 3.45Å; L475-S479 PolarHBondContact O-N 3.23Å; M476-S479 WeakPolarHBondContact O-CB 3.38Å; M476-S479 PolarHBondContact O-N 3.09Å; A477-S479 VanDerWaalsContact C-N 3.35Å; S479-T481 VanDerWaalsContact C-N 3.31Å; S479-T481 PolarHBondContact O-N 3.45Å; S479-G482 PolarHBondContact O-N 2.8Å; S479-G482 VanDerWaalsContact O-N 3.12Å
480G95.5Very high90.9Very high21 Ų2139.9 Ų39.922%0.21622%0.222CC..Hα-helixtrans-64.5-30.217500000114.4S232 Y250 M476 A477S232-G480 PolarHBondContact OG-N 3.43Å; Y250-G480 WeakPolarHBondContact CE1-O 3.24Å; M476-G480 PolarHBondContact O-N 3.37Å; A477-G480 PolarHBondContact O-N 3.41Å
481T95.8Very high89.9Confident46 Ų4640.3 Ų40.328%0.28223%0.225SC..THydrogen-bonded Turntrans-84.8-6.9172.457.80000114.3A81 Y250 A477 A478 S479 L483A81-T481 HydrophobicContact CB-CG2 3.56Å; Y250-T481 HydrophobicContact CD2-CG2 3.6Å; Y250-T481 HydrophobicContact CE2-CG2 3.72Å; A477-T481 PolarHBondContact O-N 3.01Å; A478-T481 PolarHBondContact O-N 2.93Å; A478-T481 PolarHBondContact O-OG1 3.21Å; S479-T481 VanDerWaalsContact C-N 3.31Å; S479-T481 PolarHBondContact O-N 3.45Å; T481-L483 VanDerWaalsContact C-N 3.25Å; T481-L483 PolarHBondContact O-N 2.99Å; T481-L483 WeakPolarHBondContact OG1-CD1 3.27Å; T481-L483 WeakPolarHBondContact OG1-CG 2.8Å
482G93.7Very high88.9Confident63 Ų6341.2 Ų41.265%0.64923%0.233SC*.THydrogen-bonded Turntrans76.24.7-172.400000115A478 S479 Y484A478-G482 PolarHBondContact O-N 2.63Å; S479-G482 PolarHBondContact O-N 2.8Å; S479-G482 VanDerWaalsContact O-N 3.12Å; G482-Y484 VanDerWaalsContact C-N 3.31Å
483L93.3Very high87.8Confident70 Ų7046.7 Ų46.737%0.36626%0.262SS..SBendtrans-75.4-18175.6-68.8172.9000113.1I12 R80 A478 T481I12-L483 HydrophobicContact CD1-CD1 3.99Å; R80-L483 HydrophobicContact CB-CD1 4.08Å; R80-L483 HydrophobicContact CG-CD1 4.07Å; A478-L483 HydrophobicContact CB-CB 4.38Å; A478-L483 PolarHBondContact O-N 3.17Å; T481-L483 VanDerWaalsContact C-N 3.25Å; T481-L483 PolarHBondContact O-N 2.99Å; T481-L483 WeakPolarHBondContact OG1-CD1 3.27Å; T481-L483 WeakPolarHBondContact OG1-CG 2.8Å
484Y93.6Very high86.6Confident14 Ų1449 Ų496%0.05527%0.274CS..  trans-126.3144.5173.3-170.1-112.9000112.3F32 L475 A478 G482 F486 L491F32-Y484 AromaticContact CE2-CD2 3.86Å; F32-Y484 HydrophobicContact CE2-CD2 3.86Å; F32-Y484 HydrophobicContact CZ-CD2 4.06Å; F32-Y484 HydrophobicContact CZ-CG 4.26Å; L475-Y484 HydrophobicContact CB-CD1 4.36Å; L475-Y484 HydrophobicContact CB-CE1 4.43Å; L475-Y484 HydrophobicContact CD2-CD1 4.02Å; L475-Y484 HydrophobicContact CD2-CD2 4.1Å; L475-Y484 HydrophobicContact CD2-CE1 3.83Å; L475-Y484 HydrophobicContact CD2-CE2 3.94Å; L475-Y484 HydrophobicContact CD2-CG 4.14Å; A478-Y484 PolarHBondContact O-N 2.69Å; G482-Y484 VanDerWaalsContact C-N 3.31Å; Y484-F486 HydrophobicContact CD1-CD1 4.33Å; Y484-F486 AromaticContact CD1-CD2 3.97Å; Y484-F486 HydrophobicContact CD1-CD2 3.97Å; Y484-F486 HydrophobicContact CD1-CE1 4.26Å; Y484-F486 AromaticContact CD1-CE2 3.93Å; Y484-F486 HydrophobicContact CD1-CE2 3.93Å; Y484-F486 HydrophobicContact CD1-CG 4.18Å; Y484-F486 HydrophobicContact CD1-CZ 4.06Å; Y484-F486 AromaticContact CE1-CD1 3.63Å; Y484-F486 HydrophobicContact CE1-CD1 3.63Å; Y484-F486 HydrophobicContact CE1-CD2 4.08Å; Y484-F486 AromaticContact CE1-CE1 3.69Å; Y484-F486 HydrophobicContact CE1-CE1 3.69Å; Y484-F486 HydrophobicContact CE1-CE2 4.16Å; Y484-F486 AromaticContact CE1-CG 3.82Å; Y484-F486 HydrophobicContact CE1-CG 3.82Å; Y484-F486 AromaticContact CE1-CZ 3.96Å; Y484-F486 HydrophobicContact CE1-CZ 3.96Å; Y484-L491 HydrophobicContact CD2-CD1 4.17Å; Y484-L491 HydrophobicContact CE2-CD1 3.45Å; Y484-L491 VanDerWaalsContact CE2-CD1 3.45Å; Y484-L491 HydrophobicContact CE2-CG 4.02Å
485N91.4Very high85.6Confident72 Ų7249.2 Ų49.239%0.38528%0.275SS..  trans-131.7102.7177-172.1-19.6000111.1K487 K488 S489N485-K487 PolarHBondContact O-N 2.87Å; N485-K487 WeakPolarHBondContact OD1-CB 3.32Å; N485-K487 PolarHBondContact OD1-N 3.32Å; N485-K488 HydrophobicContact CB-CG 4.48Å; N485-K488 PolarHBondContact O-N 2.98Å; N485-S489 PolarHBondContact O-N 3.43Å
486F89.6Confident84.6Confident29 Ų2953 Ų5313%0.12730%0.295CS..THydrogen-bonded Turntrans-54.3-23.2176.7-73.8-82.3000114.3V261 Y266 I304 L475 M476 Y484V261-F486 HydrophobicContact CG1-CE1 3.88Å; V261-F486 HydrophobicContact CG1-CZ 4.01Å; Y266-F486 HydrophobicContact CD1-CD1 4.3Å; Y266-F486 HydrophobicContact CD1-CE1 4.45Å; Y266-F486 AromaticContact CE1-CD1 3.75Å; Y266-F486 HydrophobicContact CE1-CD1 3.75Å; Y266-F486 AromaticContact CE1-CE1 3.59Å; Y266-F486 HydrophobicContact CE1-CE1 3.59Å; Y266-F486 HydrophobicContact CE2-CD1 4.1Å; Y266-F486 AromaticContact CZ-CD1 3.63Å; Y266-F486 AromaticContact CZ-CE1 3.62Å; Y266-F486 WeakPolarHBondContact OH-CE1 3.47Å; I304-F486 HydrophobicContact CD1-CB 3.98Å; I304-F486 HydrophobicContact CD1-CD1 4.11Å; I304-F486 HydrophobicContact CD1-CD2 3.63Å; I304-F486 HydrophobicContact CD1-CE2 4.09Å; I304-F486 HydrophobicContact CD1-CG 3.64Å; I304-F486 HydrophobicContact CG1-CD2 4.07Å; I304-F486 HydrophobicContact CG1-CE2 4.15Å; I304-F486 HydrophobicContact CG2-CD2 3.93Å; I304-F486 HydrophobicContact CG2-CE2 4.25Å; L475-F486 HydrophobicContact CB-CE1 4.5Å; L475-F486 HydrophobicContact CB-CZ 4.05Å; M476-F486 HydrophobicContact CE-CE1 4.2Å; M476-F486 HydrophobicContact CE-CE2 4.09Å; M476-F486 HydrophobicContact CE-CZ 3.63Å; M476-F486 HydrophobicContact CG-CZ 4.11Å; M476-F486 HydrophobicContact SD-CE2 3.69Å; M476-F486 HydrophobicContact SD-CZ 3.66Å; Y484-F486 HydrophobicContact CD1-CD1 4.33Å; Y484-F486 AromaticContact CD1-CD2 3.97Å; Y484-F486 HydrophobicContact CD1-CD2 3.97Å; Y484-F486 HydrophobicContact CD1-CE1 4.26Å; Y484-F486 AromaticContact CD1-CE2 3.93Å; Y484-F486 HydrophobicContact CD1-CE2 3.93Å; Y484-F486 HydrophobicContact CD1-CG 4.18Å; Y484-F486 HydrophobicContact CD1-CZ 4.06Å; Y484-F486 AromaticContact CE1-CD1 3.63Å; Y484-F486 HydrophobicContact CE1-CD1 3.63Å; Y484-F486 HydrophobicContact CE1-CD2 4.08Å; Y484-F486 AromaticContact CE1-CE1 3.69Å; Y484-F486 HydrophobicContact CE1-CE1 3.69Å; Y484-F486 HydrophobicContact CE1-CE2 4.16Å; Y484-F486 AromaticContact CE1-CG 3.82Å; Y484-F486 HydrophobicContact CE1-CG 3.82Å; Y484-F486 AromaticContact CE1-CZ 3.96Å; Y484-F486 HydrophobicContact CE1-CZ 3.96Å
487K83.9Confident83.6Confident181 Ų18161 Ų6179%0.78733%0.33SS*.THydrogen-bonded Turntrans-79.7-18.3178-59.8-176.2178.1-179.80113.8N485N485-K487 PolarHBondContact O-N 2.87Å; N485-K487 WeakPolarHBondContact OD1-CB 3.32Å; N485-K487 PolarHBondContact OD1-N 3.32Å
488K78.2Confident82.6Confident140 Ų14064.2 Ų64.261%0.60935%0.345SS*.THydrogen-bonded Turntrans-98.2-39.2177.5-66.6-172.2174.5-174.20112.4N485 D490N485-K488 HydrophobicContact CB-CG 4.48Å; N485-K488 PolarHBondContact O-N 2.98Å; K488-D490 VanDerWaalsContact C-N 3.32Å; K488-D490 PolarHBondContact O-N 2.79Å
489S65Low82.1Confident44 Ų4465.5 Ų65.531%0.30835%0.352SS..  trans51.843.2178.570.20000114.6N485 L491 A492N485-S489 PolarHBondContact O-N 3.43Å; S489-L491 PolarHBondContact O-N 3.16Å; S489-A492 WeakPolarHBondContact O-CB 3.49Å; S489-A492 PolarHBondContact O-N 3.28Å
490D64.7Low81.9Confident124 Ų12467 Ų6766%0.66336%0.356SS*.THydrogen-bonded Turntrans-59.1-10.7-175.4-51.8-53.8000114.4K488K488-D490 VanDerWaalsContact C-N 3.32Å; K488-D490 PolarHBondContact O-N 2.79Å
491L75.3Confident81.9Confident10 Ų1070.4 Ų70.45%0.05237%0.366CS..THydrogen-bonded Turntrans-87.6-9.4178.3-58.5173.2000114.3F32 L475 Y484 S489 D493 L494 W495F32-L491 HydrophobicContact CB-CD1 4.3Å; F32-L491 HydrophobicContact CD2-CD1 3.38Å; F32-L491 HydrophobicContact CD2-CD2 4.12Å; F32-L491 HydrophobicContact CD2-CG 4.34Å; F32-L491 HydrophobicContact CE2-CD1 3.98Å; F32-L491 HydrophobicContact CG-CD1 4.02Å; L475-L491 HydrophobicContact CD2-CD1 3.99Å; Y484-L491 HydrophobicContact CD2-CD1 4.17Å; Y484-L491 HydrophobicContact CE2-CD1 3.45Å; Y484-L491 VanDerWaalsContact CE2-CD1 3.45Å; Y484-L491 HydrophobicContact CE2-CG 4.02Å; S489-L491 PolarHBondContact O-N 3.16Å; L491-D493 VanDerWaalsContact C-N 3.3Å; L491-D493 PolarHBondContact O-N 3.43Å; L491-L494 HydrophobicContact CD2-CD2 4.34Å; L491-L494 PolarHBondContact O-N 2.8Å; L491-L494 VanDerWaalsContact O-N 3.15Å; L491-W495 HydrophobicContact CB-CD2 3.75Å; L491-W495 HydrophobicContact CB-CE3 3.34Å; L491-W495 HydrophobicContact CB-CH2 3.98Å; L491-W495 HydrophobicContact CB-CZ2 4.19Å; L491-W495 HydrophobicContact CB-CZ3 3.5Å; L491-W495 VanDerWaalsContact CB-CZ3 3.5Å; L491-W495 HydrophobicContact CD1-CE3 4.36Å; L491-W495 HydrophobicContact CD1-CH2 3.4Å; L491-W495 VanDerWaalsContact CD1-CH2 3.4Å; L491-W495 HydrophobicContact CD1-CZ2 3.55Å; L491-W495 HydrophobicContact CD1-CZ3 3.79Å; L491-W495 HydrophobicContact CG-CE3 4.5Å; L491-W495 HydrophobicContact CG-CH2 4.35Å; L491-W495 HydrophobicContact CG-CZ2 4.49Å; L491-W495 HydrophobicContact CG-CZ3 4.3Å; L491-W495 WeakPolarHBondContact O-CB 3.39Å; L491-W495 PolarHBondContact O-N 2.93Å
492A72.8Confident81.9Confident25 Ų2569.5 Ų69.521%0.20736%0.358CS..Hα-helixtrans-55.9-43.1-173.800000112.4S489 N496S489-A492 WeakPolarHBondContact O-CB 3.49Å; S489-A492 PolarHBondContact O-N 3.28Å; A492-N496 VanDerWaalsContact O-CB 3.32Å; A492-N496 WeakPolarHBondContact O-CB 3.47Å; A492-N496 PolarHBondContact O-N 3.3Å; A492-N496 PolarHBondContact O-ND2 3.03Å
493D72.2Confident82Confident116 Ų11670.9 Ų70.962%0.6235%0.348SS*.Hα-helixtrans-71.7-36.1179.1-71.8-18.3000113.2L491 K497L491-D493 VanDerWaalsContact C-N 3.3Å; L491-D493 PolarHBondContact O-N 3.43Å; D493-K497 WeakPolarHBondContact O-CD 3.36Å; D493-K497 VanDerWaalsContact O-CG 3.29Å; D493-K497 WeakPolarHBondContact O-CG 3.41Å; D493-K497 PolarHBondContact O-N 2.68Å
494L72.8Confident82.1Confident47 Ų4769.5 Ų69.525%0.24634%0.343CS..Hα-helixtrans-62.9-48.6174.2179.163.6000109.9T31 L491 K497 H498T31-L494 HydrophobicContact CG2-CD2 4.21Å; T31-L494 WeakPolarHBondContact O-CD2 3.3Å; L491-L494 HydrophobicContact CD2-CD2 4.34Å; L491-L494 PolarHBondContact O-N 2.8Å; L491-L494 VanDerWaalsContact O-N 3.15Å; L494-K497 PolarHBondContact O-N 3.2Å; L494-H498 PolarHBondContact O-CD2 3.43Å; L494-H498 PolarHBondContact O-N 2.93Å
495W74.1Confident82.1Confident5 Ų576.4 Ų76.42%0.01937%0.373CS..Hα-helixtrans-68.1-39.2-179.5-71.3-22.4000113.1Q264 L465 L471 L475 L491 K497 H498 N499Q264-W495 HydrophobicContact CG-CD2 4.34Å; Q264-W495 HydrophobicContact CG-CE3 3.43Å; Q264-W495 VanDerWaalsContact CG-CE3 3.43Å; Q264-W495 HydrophobicContact CG-CH2 4.16Å; Q264-W495 HydrophobicContact CG-CZ3 3.29Å; Q264-W495 VanDerWaalsContact OE1-CE3 3.28Å; L465-W495 HydrophobicContact CD1-CG 4.48Å; L471-W495 HydrophobicContact CD1-CZ2 4.15Å; L471-W495 HydrophobicContact CD2-CZ2 3.83Å; L471-W495 HydrophobicContact CG-CZ2 4.31Å; L475-W495 HydrophobicContact CD1-CH2 3.67Å; L475-W495 HydrophobicContact CD1-CZ2 4.21Å; L475-W495 HydrophobicContact CD2-CH2 3.81Å; L475-W495 HydrophobicContact CD2-CZ2 4.29Å; L475-W495 HydrophobicContact CG-CH2 4.37Å; L491-W495 HydrophobicContact CB-CD2 3.75Å; L491-W495 HydrophobicContact CB-CE3 3.34Å; L491-W495 HydrophobicContact CB-CH2 3.98Å; L491-W495 HydrophobicContact CB-CZ2 4.19Å; L491-W495 HydrophobicContact CB-CZ3 3.5Å; L491-W495 VanDerWaalsContact CB-CZ3 3.5Å; L491-W495 HydrophobicContact CD1-CE3 4.36Å; L491-W495 HydrophobicContact CD1-CH2 3.4Å; L491-W495 VanDerWaalsContact CD1-CH2 3.4Å; L491-W495 HydrophobicContact CD1-CZ2 3.55Å; L491-W495 HydrophobicContact CD1-CZ3 3.79Å; L491-W495 HydrophobicContact CG-CE3 4.5Å; L491-W495 HydrophobicContact CG-CH2 4.35Å; L491-W495 HydrophobicContact CG-CZ2 4.49Å; L491-W495 HydrophobicContact CG-CZ3 4.3Å; L491-W495 WeakPolarHBondContact O-CB 3.39Å; L491-W495 PolarHBondContact O-N 2.93Å; W495-K497 VanDerWaalsContact C-N 3.3Å; W495-K497 PolarHBondContact O-N 2.87Å; W495-H498 CarbonylContact O-C 3.6Å; W495-H498 PolarHBondContact O-N 2.89Å; W495-N499 VanDerWaalsContact O-CG 3.26Å; W495-N499 PolarHBondContact O-N 3.29Å; W495-N499 PolarHBondContact O-ND2 3.28Å; W495-N499 PolarHBondContact O-OD1 2.92Å
496N74.9Confident82Confident79 Ų7973.6 Ų73.642%0.42236%0.358SS..Hα-helixtrans-60.6-36.6174.3-74.3-31.2000112.6A492 H498 N499A492-N496 VanDerWaalsContact O-CB 3.32Å; A492-N496 WeakPolarHBondContact O-CB 3.47Å; A492-N496 PolarHBondContact O-N 3.3Å; A492-N496 PolarHBondContact O-ND2 3.03Å; N496-H498 PolarHBondContact O-N 3.08Å; N496-N499 PolarHBondContact O-N 2.62Å
497K77.1Confident82Confident170 Ų17078.1 Ų78.174%0.73938%0.378SS*.Hα-helixtrans-65.6-22.1174.6-71.5166.9-175.7174.60113.8D493 L494 W495D493-K497 WeakPolarHBondContact O-CD 3.36Å; D493-K497 VanDerWaalsContact O-CG 3.29Å; D493-K497 WeakPolarHBondContact O-CG 3.41Å; D493-K497 PolarHBondContact O-N 2.68Å; L494-K497 PolarHBondContact O-N 3.2Å; W495-K497 VanDerWaalsContact C-N 3.3Å; W495-K497 PolarHBondContact O-N 2.87Å
498H78.1Confident82.3Confident67 Ų6772.4 Ų72.431%0.3136%0.358SS..THydrogen-bonded Turntrans-101.94.2179.4-69.6-61.3000113.5K464 L465 L494 W495 N496K464-H498 HydrophobicContact CB-CB 4.3Å; K464-H498 WeakPolarHBondContact CB-O 3.26Å; K464-H498 VanDerWaalsContact CG-O 3.27Å; K464-H498 WeakPolarHBondContact CG-O 3.28Å; K464-H498 PolarHBondContact N-O 2.92Å; L465-H498 HydrophobicContact CD1-CB 4.24Å; L465-H498 HydrophobicContact CG-CB 4.08Å; L494-H498 PolarHBondContact O-CD2 3.43Å; L494-H498 PolarHBondContact O-N 2.93Å; W495-H498 CarbonylContact O-C 3.6Å; W495-H498 PolarHBondContact O-N 2.89Å; N496-H498 PolarHBondContact O-N 3.08Å
499N86.3Confident83Confident27 Ų2771.9 Ų71.914%0.14436%0.358CS..EExtended strand (participates in β ladder)trans-88.3141176.2-73.1-26.7000111.7V461 R462 S463 W495 N496V461-N499 HydrophobicContact CG1-CB 3.81Å; R462-N499 CarbonylContact O-C 3.52Å; R462-N499 WeakPolarHBondContact O-CA 3.42Å; S463-N499 WeakPolarHBondContact CA-OD1 3.41Å; W495-N499 VanDerWaalsContact O-CG 3.26Å; W495-N499 PolarHBondContact O-N 3.29Å; W495-N499 PolarHBondContact O-ND2 3.28Å; W495-N499 PolarHBondContact O-OD1 2.92Å; N496-N499 PolarHBondContact O-N 2.62Å
500E91.8Very high84.1Confident56 Ų5672 Ų7226%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-106.6139.9165.4-74.9-179.8169.800110.3V461 R462 K464 F502V461-E500 WeakPolarHBondContact CA-O 3.39Å; R462-E500 IonicContact CZ-OE2 2.81Å; R462-E500 VanDerWaalsContact CZ-OE2 3.3Å; R462-E500 PolarHBondContact N-O 3.31Å; R462-E500 IonicContact NE-OE2 2.96Å; R462-E500 PolarHBondContact NE-OE2 3.06Å; R462-E500 IonicContact NH2-OE2 2.83Å; R462-E500 PolarHBondContact NH2-OE2 3.01Å; R462-E500 PolarHBondContact O-N 3.3Å; K464-E500 WeakPolarHBondContact CE-OE1 3.33Å; K464-E500 IonicContact NZ-OE1 3.58Å; K464-E500 PolarHBondContact NZ-OE1 3.43Å; E500-F502 HydrophobicContact CB-CE2 4.12Å
501H94.4Very high85.4Confident93 Ų9367.8 Ų67.843%0.43133%0.328SS..EExtended strand (participates in β ladder)trans-117124-171.8-66.9-98.6000109.8T459T459-H501 HydrophobicContact CG2-CB 4.21Å
502F96.5Very high86.3Confident27 Ų2771.6 Ų71.612%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-109.7113.7174-61.9-101.9000106.8N446 L449 Q450 S453 T459 V460 R462 E500N446-F502 HydrophobicContact CB-CE1 4.13Å; L449-F502 HydrophobicContact CB-CD1 3.81Å; L449-F502 HydrophobicContact CB-CD2 3.92Å; L449-F502 HydrophobicContact CB-CE1 3.88Å; L449-F502 HydrophobicContact CB-CE2 4.01Å; L449-F502 HydrophobicContact CB-CG 3.85Å; L449-F502 HydrophobicContact CB-CZ 3.99Å; L449-F502 HydrophobicContact CD1-CD2 3.99Å; L449-F502 HydrophobicContact CD1-CE1 4.41Å; L449-F502 HydrophobicContact CD1-CE2 3.44Å; L449-F502 VanDerWaalsContact CD1-CE2 3.44Å; L449-F502 HydrophobicContact CD1-CZ 3.68Å; L449-F502 HydrophobicContact CG-CE2 4.39Å; L449-F502 HydrophobicContact CG-CZ 4.47Å; Q450-F502 HydrophobicContact CB-CD1 4.47Å; S453-F502 WeakPolarHBondContact CB-O 3.49Å; S453-F502 PolarHBondContact OG-O 2.61Å; T459-F502 CarbonylContact C-O 3.52Å; T459-F502 WeakPolarHBondContact CA-O 3.17Å; V460-F502 HydrophobicContact CB-CB 4.21Å; V460-F502 PolarHBondContact N-O 3.08Å; V460-F502 PolarHBondContact O-N 3.16Å; R462-F502 HydrophobicContact CB-CE2 4.34Å; E500-F502 HydrophobicContact CB-CE2 4.12Å
503E96.8Very high87.2Confident93 Ų9374 Ų7444%0.43535%0.352SS..  trans-98.1150.1178.8-59.5-61.5169.300110.8Q450 T459 K505Q450-E503 PolarHBondContact NE2-O 2.92Å; T459-E503 WeakPolarHBondContact CB-OE2 3.24Å; T459-E503 WeakPolarHBondContact CG2-OE1 3.49Å; T459-E503 VanDerWaalsContact OG1-CD 3.32Å; T459-E503 PolarHBondContact OG1-OE1 3.11Å; T459-E503 PolarHBondContact OG1-OE2 2.83Å; E503-K505 PolarHBondContact O-N 2.98Å
504P95.3Very high88.2Confident40 Ų4068.8 Ų68.826%0.2632%0.323SS..  trans-62.2128178.8-21.833000111.5S453 F457S453-P504 WeakPolarHBondContact OG-CD 3.39Å; S453-P504 VanDerWaalsContact OG-N 3.07Å; F457-P504 HydrophobicContact CD2-CB 3.83Å; F457-P504 HydrophobicContact CD2-CG 4.27Å; F457-P504 HydrophobicContact CE2-CB 4.02Å; F457-P504 HydrophobicContact CG-CB 4.47Å; F457-P504 HydrophobicContact CG-CG 4.43Å
505K93.4Very high89.3Confident159 Ų15967.1 Ų67.169%0.69132%0.315SS*.  trans-108.6-14.7179.2-70.8174.3-173.6154.80113.4Q450 D454 E503Q450-K505 HydrophobicContact CG-CD 4.45Å; D454-K505 PolarHBondContact OD1-N 3.25Å; E503-K505 PolarHBondContact O-N 2.98Å
506I89.7Confident90.3Very high14 Ų1473.3 Ų73.37%0.07234%0.338CS..SBendtrans-85.6151.6177.167171.9000113.1F365 D454 I455 R511F365-I506 HydrophobicContact CD2-CG2 4.15Å; F365-I506 HydrophobicContact CE2-CG2 3.41Å; F365-I506 VanDerWaalsContact CE2-CG2 3.41Å; F365-I506 HydrophobicContact CZ-CG2 3.98Å; D454-I506 HydrophobicContact CB-CD1 3.79Å; D454-I506 HydrophobicContact CB-CG1 3.73Å; D454-I506 HydrophobicContact CB-CG2 4.13Å; I455-I506 HydrophobicContact CD1-CD1 4.35Å; I506-R511 HydrophobicContact CD1-CB 3.56Å; I506-R511 HydrophobicContact CD1-CG 4.09Å; I506-R511 HydrophobicContact CG1-CB 4.23Å
507K89.6Confident91.3Very high124 Ų12473 Ų7354%0.53934%0.335SS..  trans-73.1149.7171.1-58.9-179.51781740111.1E509 E510 R511K507-E509 VanDerWaalsContact C-N 3.3Å; K507-E509 WeakPolarHBondContact CB-OE2 3.39Å; K507-E509 PolarHBondContact O-N 3.34Å; K507-E510 PolarHBondContact O-N 3.11Å; K507-R511 PolarHBondContact O-N 3.47Å; K507-R511 VanDerWaalsContact O-N 3.11Å
508T90.5Very high92.2Very high60 Ų6065 Ų6537%0.36830%0.301SS..Hα-helixtrans-56.5-40.4-178.6-51.10000112.7E510 R511 E512T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.18Å; T508-R511 WeakPolarHBondContact O-CB 3.42Å; T508-R511 PolarHBondContact O-N 2.89Å; T508-E512 WeakPolarHBondContact O-CG 3.32Å; T508-E512 PolarHBondContact O-N 2.98Å
509E90.9Very high93Very high130 Ų13066.5 Ų66.561%0.60731%0.306SS*.Hα-helixtrans-66.2-37.4-176.8-53.978.1-171.200112.1K507 K513K507-E509 VanDerWaalsContact C-N 3.3Å; K507-E509 WeakPolarHBondContact CB-OE2 3.39Å; K507-E509 PolarHBondContact O-N 3.34Å; E509-K513 WeakPolarHBondContact O-CB 3.49Å; E509-K513 PolarHBondContact O-N 2.89Å
510E88.1Confident93.5Very high46 Ų4671.4 Ų71.422%0.21533%0.326CS..Hα-helixtrans-72.5-41.1177.317455.6-157.500110.9K507 T508 K513 R514K507-E510 PolarHBondContact O-N 3.11Å; T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.18Å; E510-K513 WeakPolarHBondContact O-CB 3.36Å; E510-K513 PolarHBondContact O-N 3.46Å; E510-K513 IonicContact OE2-NZ 3.46Å; E510-R514 PolarHBondContact O-N 3.08Å; E510-R514 VanDerWaalsContact O-N 3.15Å; E510-R514 IonicContact OE1-CZ 2.68Å; E510-R514 VanDerWaalsContact OE1-CZ 3.29Å; E510-R514 IonicContact OE1-NE 3.38Å; E510-R514 PolarHBondContact OE1-NE 3.35Å; E510-R514 IonicContact OE1-NH2 3.43Å; E510-R514 PolarHBondContact OE1-NH2 2.82Å
511R92.8Very high93.7Very high36 Ų3668.9 Ų68.914%0.13632%0.316CS..Hα-helixtrans-55.2-53.9171.5-177.9-169.9169.5-141.914.1111I455 A456 F457 I506 K507 T508 K513 R514 L515I455-R511 PolarHBondContact O-NE 3.17Å; I455-R511 PolarHBondContact O-NH2 2.76Å; I455-R511 VanDerWaalsContact O-NH2 3.16Å; A456-R511 PolarHBondContact O-NH2 3.25Å; F457-R511 VanDerWaalsContact CB-CZ 3.41Å; I506-R511 HydrophobicContact CD1-CB 3.56Å; I506-R511 HydrophobicContact CD1-CG 4.09Å; I506-R511 HydrophobicContact CG1-CB 4.23Å; K507-R511 PolarHBondContact O-N 3.47Å; K507-R511 VanDerWaalsContact O-N 3.11Å; T508-R511 WeakPolarHBondContact O-CB 3.42Å; T508-R511 PolarHBondContact O-N 2.89Å; R511-K513 VanDerWaalsContact C-N 3.3Å; R511-K513 PolarHBondContact O-N 3.14Å; R511-R514 PolarHBondContact O-N 2.86Å; R511-R514 VanDerWaalsContact O-N 3.15Å; R511-L515 HydrophobicContact CG-CD1 4.05Å; R511-L515 HydrophobicContact CG-CG 4.48Å; R511-L515 WeakPolarHBondContact O-CG 3.32Å; R511-L515 PolarHBondContact O-N 2.92Å
512E94.2Very high93.8Very high90 Ų9064.6 Ų64.642%0.42130%0.296SS..Hα-helixtrans-61.8-37.3-179.4-72.1-176.1-176.600112.9T508 R514 L515 R516T508-E512 WeakPolarHBondContact O-CG 3.32Å; T508-E512 PolarHBondContact O-N 2.98Å; E512-R514 VanDerWaalsContact C-N 3.3Å; E512-R514 PolarHBondContact O-N 3.3Å; E512-L515 PolarHBondContact O-N 2.95Å; E512-R516 WeakPolarHBondContact O-CB 3.36Å; E512-R516 WeakPolarHBondContact O-CG 3.27Å; E512-R516 PolarHBondContact O-N 3.02Å; E512-R516 IonicContact OE2-NH1 3.21Å; E512-R516 PolarHBondContact OE2-NH1 2.81Å
513K91.7Very high93.8Very high76 Ų7669.1 Ų69.133%0.3332%0.317SS..Hα-helixtrans-58.4-43.5175.4180-172.5170.6-1650111.1E509 E510 R511 L517E509-K513 WeakPolarHBondContact O-CB 3.49Å; E509-K513 PolarHBondContact O-N 2.89Å; E510-K513 WeakPolarHBondContact O-CB 3.36Å; E510-K513 PolarHBondContact O-N 3.46Å; E510-K513 IonicContact OE2-NZ 3.46Å; R511-K513 VanDerWaalsContact C-N 3.3Å; R511-K513 PolarHBondContact O-N 3.14Å; K513-L517 PolarHBondContact O-N 2.83Å
514R93.6Very high93.8Very high6 Ų671.9 Ų71.92%0.02333%0.328CS..Hα-helixtrans-68.1-44175.9-64.4-165.4-154.7150.830.4112.5F365 Y372 E411 F415 E510 R511 E512 R516 L517 W518F365-R514 VanDerWaalsContact CE1-NH1 3.27Å; Y372-R514 WeakPolarHBondContact OH-CA 3.1Å; E411-R514 IonicContact OE1-CZ 3.17Å; E411-R514 IonicContact OE1-NH1 3.09Å; E411-R514 PolarHBondContact OE1-NH1 3.44Å; E411-R514 WeakPolarHBondContact OE2-CD 3.33Å; E411-R514 IonicContact OE2-NH1 3.29Å; F415-R514 HydrophobicContact CE1-CB 3.91Å; F415-R514 HydrophobicContact CZ-CB 3.86Å; E510-R514 PolarHBondContact O-N 3.08Å; E510-R514 VanDerWaalsContact O-N 3.15Å; E510-R514 IonicContact OE1-CZ 2.68Å; E510-R514 VanDerWaalsContact OE1-CZ 3.29Å; E510-R514 IonicContact OE1-NE 3.38Å; E510-R514 PolarHBondContact OE1-NE 3.35Å; E510-R514 IonicContact OE1-NH2 3.43Å; E510-R514 PolarHBondContact OE1-NH2 2.82Å; R511-R514 PolarHBondContact O-N 2.86Å; R511-R514 VanDerWaalsContact O-N 3.15Å; E512-R514 VanDerWaalsContact C-N 3.3Å; E512-R514 PolarHBondContact O-N 3.3Å; R514-R516 VanDerWaalsContact C-N 3.29Å; R514-R516 PolarHBondContact O-N 2.84Å; R514-L517 PolarHBondContact O-N 2.85Å; R514-L517 VanDerWaalsContact O-N 3.09Å; R514-W518 WeakPolarHBondContact O-CB 3.42Å; R514-W518 PolarHBondContact O-N 2.93Å
515L95.6Very high93.8Very high12 Ų1270 Ų706%0.06332%0.316CS..Hα-helixtrans-58.9-38.2176-67.5176.6000112.6F415 Y418 I455 R511 E512 K519F415-L515 HydrophobicContact CD1-CD2 3.85Å; F415-L515 HydrophobicContact CE1-CD2 4.19Å; Y418-L515 HydrophobicContact CD1-CD1 4.4Å; Y418-L515 HydrophobicContact CD1-CD2 3.4Å; Y418-L515 HydrophobicContact CE1-CD1 3.75Å; Y418-L515 HydrophobicContact CE1-CD2 3.46Å; Y418-L515 VanDerWaalsContact CE1-CD2 3.46Å; Y418-L515 HydrophobicContact CE1-CG 4.16Å; Y418-L515 HydrophobicContact CE2-CD1 4.12Å; Y418-L515 HydrophobicContact CG-CD2 4.01Å; I455-L515 HydrophobicContact CG2-CD2 4.09Å; R511-L515 HydrophobicContact CG-CD1 4.05Å; R511-L515 HydrophobicContact CG-CG 4.48Å; R511-L515 WeakPolarHBondContact O-CG 3.32Å; R511-L515 PolarHBondContact O-N 2.92Å; E512-L515 PolarHBondContact O-N 2.95Å; L515-K519 WeakPolarHBondContact O-CG 3.37Å; L515-K519 PolarHBondContact O-N 2.86Å
516R95.8Very high93.7Very high135 Ų13565.3 Ų65.351%0.50930%0.297SS..Hα-helixtrans-65.4-38174.2-75.3-174.3-66.7-98-0.1112.9E512 R514 K520E512-R516 WeakPolarHBondContact O-CB 3.36Å; E512-R516 WeakPolarHBondContact O-CG 3.27Å; E512-R516 PolarHBondContact O-N 3.02Å; E512-R516 IonicContact OE2-NH1 3.21Å; E512-R516 PolarHBondContact OE2-NH1 2.81Å; R514-R516 VanDerWaalsContact C-N 3.29Å; R514-R516 PolarHBondContact O-N 2.84Å; R516-K520 WeakPolarHBondContact O-CG 3.29Å; R516-K520 PolarHBondContact O-N 3.15Å
517L94.8Very high93.7Very high71 Ų7167.3 Ų67.337%0.37232%0.32SS..Hα-helixtrans-76.6-36.9177.7-70.4174.1000112.1Y372 K513 R514 K520 A521Y372-L517 HydrophobicContact CD2-CB 4.34Å; Y372-L517 HydrophobicContact CE1-CB 4.08Å; Y372-L517 HydrophobicContact CE2-CB 3.6Å; Y372-L517 HydrophobicContact CE2-CD1 3.96Å; Y372-L517 HydrophobicContact CE2-CG 4.4Å; Y372-L517 VanDerWaalsContact CZ-CB 3.46Å; K513-L517 PolarHBondContact O-N 2.83Å; R514-L517 PolarHBondContact O-N 2.85Å; R514-L517 VanDerWaalsContact O-N 3.09Å; L517-K520 WeakPolarHBondContact O-CB 3.38Å; L517-K520 PolarHBondContact O-N 3.15Å; L517-A521 PolarHBondContact O-N 3.32Å
518W96.3Very high93.7Very high2 Ų269.2 Ų69.21%0.00832%0.324CS..Hα-helixtrans-56.8-50.6171167.6-109.2000111.7Y372 I373 V374 F415 Q416 D419 R514 K520 A521 V522Y372-W518 HydrophobicContact CD1-CB 4.24Å; Y372-W518 HydrophobicContact CD1-CE3 4.29Å; Y372-W518 HydrophobicContact CE1-CB 4.11Å; I373-W518 WeakPolarHBondContact O-CZ3 3.47Å; V374-W518 HydrophobicContact CB-CH2 4.43Å; V374-W518 HydrophobicContact CB-CZ3 4.44Å; V374-W518 HydrophobicContact CG1-CH2 4.18Å; V374-W518 HydrophobicContact CG2-CE3 4.45Å; V374-W518 HydrophobicContact CG2-CH2 4.15Å; V374-W518 HydrophobicContact CG2-CZ3 3.83Å; F415-W518 HydrophobicContact CB-CB 4.41Å; F415-W518 HydrophobicContact CB-CD2 3.36Å; F415-W518 HydrophobicContact CB-CE3 3.88Å; F415-W518 HydrophobicContact CB-CG 3.58Å; F415-W518 HydrophobicContact CB-CH2 4.34Å; F415-W518 HydrophobicContact CB-CZ2 3.9Å; F415-W518 HydrophobicContact CB-CZ3 4.33Å; F415-W518 HydrophobicContact CD1-CB 4.04Å; F415-W518 HydrophobicContact CD1-CG 4.07Å; F415-W518 HydrophobicContact CD2-CB 4.03Å; F415-W518 AromaticContact CD2-CD2 3.71Å; F415-W518 HydrophobicContact CD2-CD2 3.71Å; F415-W518 AromaticContact CD2-CE3 3.51Å; F415-W518 HydrophobicContact CD2-CE3 3.51Å; F415-W518 AromaticContact CD2-CG 3.93Å; F415-W518 HydrophobicContact CD2-CG 3.93Å; F415-W518 HydrophobicContact CD2-CZ3 4.19Å; F415-W518 HydrophobicContact CE1-CB 4.32Å; F415-W518 HydrophobicContact CE2-CB 4.34Å; F415-W518 HydrophobicContact CE2-CE3 4.39Å; F415-W518 HydrophobicContact CG-CB 3.92Å; F415-W518 AromaticContact CG-CD2 3.66Å; F415-W518 HydrophobicContact CG-CD2 3.66Å; F415-W518 AromaticContact CG-CE3 3.97Å; F415-W518 HydrophobicContact CG-CE3 3.97Å; F415-W518 AromaticContact CG-CG 3.61Å; F415-W518 HydrophobicContact CG-CG 3.61Å; Q416-W518 HydrophobicContact CG-CH2 3.87Å; Q416-W518 HydrophobicContact CG-CZ2 3.72Å; D419-W518 PolarHBondContact OD2-NE1 2.87Å; R514-W518 WeakPolarHBondContact O-CB 3.42Å; R514-W518 PolarHBondContact O-N 2.93Å; W518-K520 VanDerWaalsContact C-N 3.29Å; W518-K520 PolarHBondContact O-N 3.36Å; W518-A521 WeakPolarHBondContact O-CA 3.25Å; W518-A521 WeakPolarHBondContact O-CB 3.35Å; W518-A521 PolarHBondContact O-N 3.05Å; W518-V522 HydrophobicContact CD2-CG2 3.94Å; W518-V522 HydrophobicContact CE3-CG2 4.41Å; W518-V522 HydrophobicContact CH2-CG2 4.02Å; W518-V522 HydrophobicContact CZ2-CG2 3.45Å; W518-V522 VanDerWaalsContact CZ2-CG2 3.45Å; W518-V522 HydrophobicContact CZ3-CG2 4.45Å; W518-V522 PolarHBondContact O-N 3.32Å
519K95.8Very high93.3Very high99 Ų9970 Ų7043%0.4333%0.325SS..Hα-helixtrans-57.2-42.5177.5-73.9-178.3179.6-169.40112.2L515 A521 V522 E523L515-K519 WeakPolarHBondContact O-CG 3.37Å; L515-K519 PolarHBondContact O-N 2.86Å; K519-A521 VanDerWaalsContact C-N 3.32Å; K519-A521 PolarHBondContact O-N 2.94Å; K519-V522 PolarHBondContact O-N 2.76Å; K519-E523 VanDerWaalsContact O-CG 3.3Å; K519-E523 WeakPolarHBondContact O-CG 3.34Å; K519-E523 PolarHBondContact O-N 3.35Å
520K96.1Very high92.5Very high130 Ų13069.9 Ų69.957%0.56533%0.329SS*.Hα-helixtrans-61.9-36.6172.7-72.6-177.9177.6-170.30113.1R516 L517 W518 K524R516-K520 WeakPolarHBondContact O-CG 3.29Å; R516-K520 PolarHBondContact O-N 3.15Å; L517-K520 WeakPolarHBondContact O-CB 3.38Å; L517-K520 PolarHBondContact O-N 3.15Å; W518-K520 VanDerWaalsContact C-N 3.29Å; W518-K520 PolarHBondContact O-N 3.36Å; K520-K524 VanDerWaalsContact O-CG 3.28Å; K520-K524 WeakPolarHBondContact O-CG 3.49Å; K520-K524 PolarHBondContact O-N 2.96Å
521A96.9Very high90.9Very high4 Ų475.1 Ų75.13%0.03335%0.354CS..Hα-helixtrans-66-45.6174.700000110.7Y372 V374 I392 L517 W518 K519 E523 K524 S525Y372-A521 HydrophobicContact CG-CB 4.45Å; V374-A521 HydrophobicContact CG2-CB 3.72Å; I392-A521 VanDerWaalsContact CD1-O 3.25Å; I392-A521 WeakPolarHBondContact CD1-O 3.4Å; L517-A521 PolarHBondContact O-N 3.32Å; W518-A521 WeakPolarHBondContact O-CA 3.25Å; W518-A521 WeakPolarHBondContact O-CB 3.35Å; W518-A521 PolarHBondContact O-N 3.05Å; K519-A521 VanDerWaalsContact C-N 3.32Å; K519-A521 PolarHBondContact O-N 2.94Å; A521-E523 PolarHBondContact O-N 3.11Å; A521-K524 CarbonylContact O-C 3.56Å; A521-K524 PolarHBondContact O-N 3.38Å; A521-S525 PolarHBondContact O-N 3.46Å; A521-S525 VanDerWaalsContact O-N 3.09Å
522V96.1Very high88.8Confident2 Ų275.6 Ų75.61%0.01236%0.362CS..Hα-helixtrans-58.5-48.5175.7174.10000111.3V374 L380 Y384 W518 K519 K524 S525 M526V374-V522 HydrophobicContact CG1-CG2 4.29Å; V374-V522 HydrophobicContact CG2-CG2 4.26Å; L380-V522 HydrophobicContact CD1-CG1 3.8Å; Y384-V522 HydrophobicContact CD1-CG1 4.2Å; Y384-V522 HydrophobicContact CD2-CG1 4.21Å; Y384-V522 HydrophobicContact CE1-CG1 3.87Å; Y384-V522 HydrophobicContact CE2-CG1 3.89Å; Y384-V522 HydrophobicContact CE2-CG2 4.43Å; Y384-V522 HydrophobicContact CG-CG1 4.34Å; W518-V522 HydrophobicContact CD2-CG2 3.94Å; W518-V522 HydrophobicContact CE3-CG2 4.41Å; W518-V522 HydrophobicContact CH2-CG2 4.02Å; W518-V522 HydrophobicContact CZ2-CG2 3.45Å; W518-V522 VanDerWaalsContact CZ2-CG2 3.45Å; W518-V522 HydrophobicContact CZ3-CG2 4.45Å; W518-V522 PolarHBondContact O-N 3.32Å; K519-V522 PolarHBondContact O-N 2.76Å; V522-K524 PolarHBondContact O-N 3.16Å; V522-K524 VanDerWaalsContact O-N 3.12Å; V522-S525 WeakPolarHBondContact O-CB 3.49Å; V522-S525 PolarHBondContact O-N 2.91Å; V522-S525 PolarHBondContact O-OG 3.32Å; V522-M526 HydrophobicContact CG1-CE 3.7Å; V522-M526 HydrophobicContact CG1-SD 4.19Å; V522-M526 WeakPolarHBondContact O-CG 3.44Å; V522-M526 PolarHBondContact O-N 3.17Å
523E96Very high86.5Confident122 Ų12280.4 Ų80.457%0.5738%0.382SS*.Hα-helixtrans-56.1-27.3174.6-72.5163.7-16500113.5K519 A521K519-E523 VanDerWaalsContact O-CG 3.3Å; K519-E523 WeakPolarHBondContact O-CG 3.34Å; K519-E523 PolarHBondContact O-N 3.35Å; A521-E523 PolarHBondContact O-N 3.11Å
524K96Very high84.3Confident152 Ų15283.5 Ų83.566%0.66140%0.402SS*.Hα-helixtrans-89.6-9.1175.7-65.4-60.2174.3-162.40114.5I392 K520 A521 V522I392-K524 HydrophobicContact CD1-CB 4.01Å; K520-K524 VanDerWaalsContact O-CG 3.28Å; K520-K524 WeakPolarHBondContact O-CG 3.49Å; K520-K524 PolarHBondContact O-N 2.96Å; A521-K524 CarbonylContact O-C 3.56Å; A521-K524 PolarHBondContact O-N 3.38Å; V522-K524 PolarHBondContact O-N 3.16Å; V522-K524 VanDerWaalsContact O-N 3.12Å
525S95Very high81.8Confident0 Ų088.7 Ų88.70%043%0.427CS..Hα-helixtrans-88.1-25.1172.273.30000112.8A389 R390 A521 V522A389-S525 CarbonylContact C-O 3.59Å; A389-S525 WeakPolarHBondContact CA-O 3.4Å; A389-S525 WeakPolarHBondContact CB-O 3.41Å; R390-S525 PolarHBondContact N-O 3.39Å; R390-S525 WeakPolarHBondContact O-CB 3.41Å; A521-S525 PolarHBondContact O-N 3.46Å; A521-S525 VanDerWaalsContact O-N 3.09Å; V522-S525 WeakPolarHBondContact O-CB 3.49Å; V522-S525 PolarHBondContact O-N 2.91Å; V522-S525 PolarHBondContact O-OG 3.32Å
526M93.1Very high79.3Confident61 Ų6193.8 Ų93.830%0.345%0.454SS..SBendtrans-75.2153.6-177.3-70.6168159.400113L380 Y384 D386 V522 W528L380-M526 HydrophobicContact CD1-CE 3.91Å; L380-M526 HydrophobicContact CD1-CG 4.1Å; Y384-M526 HydrophobicContact CD1-CE 3.42Å; Y384-M526 VanDerWaalsContact CD1-CE 3.42Å; Y384-M526 HydrophobicContact CE1-CE 4.21Å; Y384-M526 HydrophobicContact CG-CE 3.65Å; D386-M526 HydrophobicContact CB-CG 4.41Å; D386-M526 WeakPolarHBondContact OD2-CA 3.41Å; D386-M526 WeakPolarHBondContact OD2-CB 3.36Å; D386-M526 VanDerWaalsContact OD2-CG 3.26Å; D386-M526 WeakPolarHBondContact OD2-CG 3.46Å; V522-M526 HydrophobicContact CG1-CE 3.7Å; V522-M526 HydrophobicContact CG1-SD 4.19Å; V522-M526 WeakPolarHBondContact O-CG 3.44Å; V522-M526 PolarHBondContact O-N 3.17Å; M526-W528 PolarHBondContact O-N 3.41Å
527G89.2Confident76.7Confident55 Ų5591 Ų9157%0.56745%0.454SS*.SBendtrans62.628.5178.800000114D386 S388D386-G527 PolarHBondContact OD2-N 2.63Å; S388-G527 WeakPolarHBondContact OG-CA 3.32Å; S388-G527 PolarHBondContact OG-N 3.47Å
528W89.7Confident74.1Confident164 Ų16489.9 Ų89.962%0.62145%0.453SS*.  trans-83.4-31.5-172.7-174.5-82.8000113.5R390 M526R390-W528 HydrophobicContact CB-CB 4Å; R390-W528 HydrophobicContact CB-CG 3.73Å; R390-W528 HydrophobicContact CG-CB 4.23Å; R390-W528 HydrophobicContact CG-CG 4.09Å; M526-W528 PolarHBondContact O-N 3.41Å
529I82.5Confident71.5Confident76 Ų7693.8 Ų93.839%0.3947%0.473SS..SBendtrans-103.8123171.4-63.1-158.6000109.2S388 R390 E531S388-I529 WeakPolarHBondContact CB-O 3.41Å; S388-I529 PolarHBondContact O-N 3.24Å; S388-I529 VanDerWaalsContact O-N 3.17Å; R390-I529 HydrophobicContact CG-CD1 4.29Å; R390-I529 HydrophobicContact CG-CG1 4.05Å; R390-I529 VanDerWaalsContact CZ-CD1 3.46Å; I529-E531 PolarHBondContact O-N 2.94Å
530D72.4Confident69.1Low128 Ų12893.6 Ų93.668%0.68448%0.476SS*.  trans-65.1113.9166.9-68.5-45.7000109.6S532D530-S532 PolarHBondContact O-N 3.3Å
531E56.1Low66.7Low156 Ų15691.4 Ų91.473%0.72947%0.473SS*.SBendtrans-67.6-14.5173.7-65-175.7169.200111.8I529 K533I529-E531 PolarHBondContact O-N 2.94Å; E531-K533 VanDerWaalsContact C-N 3.29Å; E531-K533 PolarHBondContact O-N 3.12Å
532S48.8Very low64.2Low46 Ų4697.1 Ų97.132%0.32250%0.503SS..  trans-80.162.6176.961.30000113.8D530 D534 E535D530-S532 PolarHBondContact O-N 3.3Å; S532-D534 PolarHBondContact O-N 3.5Å; S532-E535 WeakPolarHBondContact CB-OE2 3.33Å; S532-E535 PolarHBondContact O-N 2.94Å; S532-E535 PolarHBondContact OG-OE2 3.2Å
533K45.1Very low61.6Low191 Ų191104.7 Ų104.783%0.8354%0.536SS*.THydrogen-bonded Turntrans-56.9-16.1167.6-91.1-176.2176.9173.40114.2E531E531-K533 VanDerWaalsContact C-N 3.29Å; E531-K533 PolarHBondContact O-N 3.12Å
534D45.7Very low58.8Low141 Ų141105.5 Ų105.575%0.75454%0.544SS*.THydrogen-bonded Turntrans-78.3-26.9173.4-68.5-34.1000113.8S532 S537S532-D534 PolarHBondContact O-N 3.5Å; D534-S537 PolarHBondContact O-OG 2.83Å
535E40.9Very low55.9Low116 Ų116106.7 Ų106.754%0.54255%0.549SS..Hα-helixtrans-82.8-26.3-173.6-75.3-173.3136.200114.4S532 S537 S538 L539S532-E535 WeakPolarHBondContact CB-OE2 3.33Å; S532-E535 PolarHBondContact O-N 2.94Å; S532-E535 PolarHBondContact OG-OE2 3.2Å; E535-S537 PolarHBondContact O-N 2.72Å; E535-S538 PolarHBondContact O-N 2.85Å; E535-S538 VanDerWaalsContact O-N 3.15Å; E535-S538 PolarHBondContact O-OG 3.29Å; E535-L539 PolarHBondContact O-N 3.36Å
536L43.4Very low52.7Low119 Ų119111.5 Ų111.562%0.62358%0.583SS**Hα-helixtrans-65.9-29.3177.3-146.579.1000111.8I540L536-I540 HydrophobicContact CD2-CD1 4.46Å; L536-I540 HydrophobicContact CG-CD1 4.33Å; L536-I540 WeakPolarHBondContact O-CB 3.35Å; L536-I540 VanDerWaalsContact O-CG1 3.29Å; L536-I540 WeakPolarHBondContact O-CG1 3.28Å; L536-I540 PolarHBondContact O-N 2.91Å
537S41.5Very low49.9Very low75 Ų75114.2 Ų114.252%0.52461%0.605SS.*Hα-helixtrans-66.4-41.1173.180.10000112.1D534 E535 T541D534-S537 PolarHBondContact O-OG 2.83Å; E535-S537 PolarHBondContact O-N 2.72Å; S537-T541 WeakPolarHBondContact O-CB 3.39Å; S537-T541 PolarHBondContact O-N 2.93Å; S537-T541 PolarHBondContact O-OG1 2.81Å
538S39.6Very low47Very low48 Ų48116.9 Ų116.934%0.33661%0.614SS.*Hα-helixtrans-75.3-35-179.874.30000112.1E535 T541 N542E535-S538 PolarHBondContact O-N 2.85Å; E535-S538 VanDerWaalsContact O-N 3.15Å; E535-S538 PolarHBondContact O-OG 3.29Å; S538-T541 PolarHBondContact O-N 2.92Å; S538-N542 WeakPolarHBondContact O-CB 3.25Å; S538-N542 PolarHBondContact O-N 3.38Å; S538-N542 PolarHBondContact O-ND2 3.45Å
539L40.9Very low44.1Very low84 Ų84117.6 Ų117.644%0.4463%0.629SS.*Hα-helixtrans-67.8-40.8176.1-116.293.9000112.9E535 K543E535-L539 PolarHBondContact O-N 3.36Å; L539-K543 WeakPolarHBondContact O-CB 3.36Å; L539-K543 WeakPolarHBondContact O-CG 3.37Å; L539-K543 PolarHBondContact O-N 3.36Å
540I45.8Very low41.6Very low95 Ų95121 Ų12149%0.48765%0.646SS.*Hα-helixtrans-67.6-40.4177.2-68.9170.8000110.1L536 L544L536-I540 HydrophobicContact CD2-CD1 4.46Å; L536-I540 HydrophobicContact CG-CD1 4.33Å; L536-I540 WeakPolarHBondContact O-CB 3.35Å; L536-I540 VanDerWaalsContact O-CG1 3.29Å; L536-I540 WeakPolarHBondContact O-CG1 3.28Å; L536-I540 PolarHBondContact O-N 2.91Å; I540-L544 HydrophobicContact CG2-CD1 3.72Å; I540-L544 WeakPolarHBondContact O-CB 2.94Å; I540-L544 PolarHBondContact O-N 2.91Å
541T47Very low39.5Very low84 Ų84118 Ų11852%0.51565%0.645SS.*Hα-helixtrans-65.8-41.2177.9-51.20000111.9S537 S538S537-T541 WeakPolarHBondContact O-CB 3.39Å; S537-T541 PolarHBondContact O-N 2.93Å; S537-T541 PolarHBondContact O-OG1 2.81Å; S538-T541 PolarHBondContact O-N 2.92Å
542N43.7Very low38.3Very low124 Ų124118.5 Ų118.566%0.66365%0.651SS**Hα-helixtrans-79.9-23179.9-74.9-35.7000114.7S538S538-N542 WeakPolarHBondContact O-CB 3.25Å; S538-N542 PolarHBondContact O-N 3.38Å; S538-N542 PolarHBondContact O-ND2 3.45Å
543K40.2Very low37.4Very low162 Ų162120.9 Ų120.970%0.70467%0.674SS**Hα-helixtrans-89.4-19.5177.1-74.7-174.4176.7178.50114.5L539L539-K543 WeakPolarHBondContact O-CB 3.36Å; L539-K543 WeakPolarHBondContact O-CG 3.37Å; L539-K543 PolarHBondContact O-N 3.36Å
544L37.4Very low36.6Very low138 Ų138116.8 Ų116.872%0.72368%0.675SS**Hα-helixtrans-87.9-14.2175.3-73169000113.9I540I540-L544 HydrophobicContact CG2-CD1 3.72Å; I540-L544 WeakPolarHBondContact O-CB 2.94Å; I540-L544 PolarHBondContact O-N 2.91Å
545F36.4Very low35.7Very low178 Ų178113.4 Ų113.478%0.78167%0.673SS**  trans-112.148.3175.6-76.2-79.3000113.2P547F545-P547 WeakPolarHBondContact O-CD 3.41Å
546S28.2Very low35.4Very low101 Ų101115.8 Ų115.871%0.70669%0.688SS**  trans-108.797.4164.7-1680000109.5
547P33.9Very low34.8Very low118 Ų118115.7 Ų115.777%0.76670%0.697SS**  trans-71.5139.5-179.529-33000111F545 L549F545-P547 WeakPolarHBondContact O-CD 3.41Å; P547-L549 PolarHBondContact O-N 2.96Å
548C28.6Very low34.3Very low110 Ų110115.8 Ų115.874%0.74370%0.703SS**  trans-31.8124.7-179.2-63.20000115.9I550C548-I550 HydrophobicContact CB-CD1 4.28Å; C548-I550 HydrophobicContact CB-CG1 4.03Å; C548-I550 PolarHBondContact O-N 2.99Å
549L28.8Very low34Very low179 Ų179120.7 Ų120.794%0.93772%0.724SS**  trans-6972.2154.4-101.2153.3000109.7P547P547-L549 PolarHBondContact O-N 2.96Å
550I29.9Very low33.6Very low149 Ų149121.7 Ų121.776%0.76474%0.737SS**  trans-76.6119.4156.1-70.1169.3000105.7C548C548-I550 HydrophobicContact CB-CD1 4.28Å; C548-I550 HydrophobicContact CB-CG1 4.03Å; C548-I550 PolarHBondContact O-N 2.99Å
551G28.1Very low33Very low63 Ų63126.1 Ų126.165%0.64975%0.752SS**  trans-73.7163.1-165.600000114.4
552I30.9Very low32.3Very low168 Ų168128.3 Ų128.386%0.86276%0.76SS**  trans-125.6108.7161.4-61.4-179.9000108
553A28.2Very low31.8Very low96 Ų96131 Ų13179%0.79377%0.768SS**  trans-112.6124.6155.900000107.6
554A30.2Very low31.6Very low105 Ų105132.2 Ų132.287%0.86877%0.774SS**  trans58.1118.6166.100000119.9
555G26.8Very low31.6Very low69 Ų69129.5 Ų129.571%0.71178%0.779SS**  129.5124.7127.800000119.1
556I33.8Very low31.6Very low167 Ų167126.1 Ų126.186%0.85678%0.778SS**  trans81.4115.4145.9-56.1171.3000118.2
557S31.4Very low32Very low116 Ų116132.7 Ų132.781%0.81179%0.787SS**  trans40.9151.6147.5-680000122.7
558A31Very low32.4Very low77 Ų77136.3 Ų136.364%0.63679%0.791SS**  cis-176.5173.3-1600000108.8
559I33.1Very low32.8Very low152 Ų152136.7 Ų136.778%0.77979%0.793SS**  trans75.5100.6156.5-65.8156.2000118.2
560C31.1Very low33.6Very low105 Ų105143.5 Ų143.571%0.70981%0.806SS**  trans66.5158130.4-58.60000121
561F33.4Very low33.7Very low187 Ų187143.2 Ų143.282%0.8281%0.809SS**  cis-143162.610.2-129.5-74000111.2
562L32.3Very low34Very low131 Ų131147.4 Ų147.469%0.68682%0.817SS**  trans-75.8149.9176.8-55.5105.5000113.6
563H33.9Very low34.2Very low179 Ų179146.3 Ų146.383%0.82981%0.814SS**  -165.3152116.5-110.765.5000117.3
564F36.9Very low34.6Very low189 Ų189149.2 Ų149.283%0.82982%0.816SS**  trans-58.9160.2-179.1-78.8-108.8000117
565G35.8Very low34.8Very low80 Ų80152 Ų15283%0.82581%0.812SS**  trans169.394.1153.700000115.7
566S37.2Very low35.4Very low107 Ų107157.5 Ų157.575%0.74882%0.819SS**  trans-97.6142.5176.163.10000112.9
567R37.6Very low35.5Very low239 Ų239156.9 Ų156.990%0.90282%0.816SS**  172.3125.9121.8-94.6171-178.5-162.40.8115.7
568K40.5Very low35.8Very low194 Ų194160 Ų16084%0.84382%0.817SS**  trans6.8140145.5-77.1-173.8174.4-175.40122.8
569C37.8Very low36.2Very low118 Ų118166.9 Ų166.980%0.79783%0.832SS**  trans73.1103.6137.3-65.90000120.2
570R44.8Very low36.5Very low322 Ų322168.3 Ų168.3100%1.21584%0.837SS**  -1430104.3-132.1178.8-168.3-176.33.4111

Retrieved 570 of 570 residues in 3855.1 ms (Link to these results)

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