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Isoform 4 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit AlphaSync

Has N-acetylglucosaminyltransferase activity: glycosylates proteins, such as HNRNPU, NEUROD1, NUP62 and PDCD6IP1. Displays specific substrate selectivity compared to other isoforms2.

AlphaFold DB , UniProt , Accession O15294-4 (canonical: O15294), Species HUMAN (Homo sapiens, Human), Gene OGT, Length 665 aa.

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Download Structure   AlphaSync Parameters   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.2Confident89Confident204 Ų204105.2 Ų105.2100%1.00551%0.508SS*.  0-46.20-71.8-162.1-157.900112.6Y3 K4 E5M1-Y3 PolarHBondContact O-N 3.39Å; M1-K4 WeakPolarHBondContact O-CB 3.5Å; M1-K4 PolarHBondContact O-N 3.01Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-E5 PolarHBondContact O-N 3.24Å
2H88.7Confident89.3Confident171 Ų171104.7 Ų104.779%0.79252%0.516SS*.Hα-helixtrans-53.9-43.4-177-59.9-62000115K4 E5 A6H2-K4 PolarHBondContact O-N 2.8Å; H2-E5 PolarHBondContact O-N 3.01Å; H2-A6 PolarHBondContact O-N 2.96Å
3Y88.7Confident89.6Confident93 Ų93103.6 Ų103.637%0.36551%0.507SS..Hα-helixtrans-64.6-37.1177-62.7-55.5000113.6M1 E5 A6 I7 N19 M20 T23M1-Y3 PolarHBondContact O-N 3.39Å; Y3-E5 VanDerWaalsContact C-N 3.28Å; Y3-E5 PolarHBondContact O-N 3.26Å; Y3-A6 PolarHBondContact O-N 3.21Å; Y3-I7 WeakPolarHBondContact O-CB 3.49Å; Y3-I7 WeakPolarHBondContact O-CD1 3.4Å; Y3-I7 VanDerWaalsContact O-CG1 3.25Å; Y3-I7 WeakPolarHBondContact O-CG1 3.48Å; Y3-I7 PolarHBondContact O-N 2.9Å; Y3-N19 HydrophobicContact CD1-CB 4.23Å; Y3-N19 HydrophobicContact CE1-CB 3.55Å; Y3-N19 HydrophobicContact CE2-CB 4.17Å; Y3-M20 HydrophobicContact CD2-CB 4.19Å; Y3-M20 HydrophobicContact CG-CB 4.14Å; Y3-T23 WeakPolarHBondContact CE2-OG1 3.42Å
4K87.3Confident89.8Confident153 Ų15396.7 Ų96.767%0.66548%0.475SS*.Hα-helixtrans-62.6-39.5175.8-68.7-173.1176.4-176.80111M1 H2 I7 R8 M20M1-K4 WeakPolarHBondContact O-CB 3.5Å; M1-K4 PolarHBondContact O-N 3.01Å; M1-K4 VanDerWaalsContact O-N 3.08Å; H2-K4 PolarHBondContact O-N 2.8Å; K4-I7 PolarHBondContact O-N 3.03Å; K4-R8 WeakPolarHBondContact O-CB 3.37Å; K4-R8 PolarHBondContact O-N 3.22Å; K4-M20 HydrophobicContact CG-SD 3.95Å
5E90.4Very high90Very high83 Ų8395.2 Ų95.239%0.38847%0.47SS..Hα-helixtrans-69.8-41.6176.4-173.159.1-166.800112.1M1 H2 Y3 I7 R8 I9M1-E5 PolarHBondContact O-N 3.24Å; H2-E5 PolarHBondContact O-N 3.01Å; Y3-E5 VanDerWaalsContact C-N 3.28Å; Y3-E5 PolarHBondContact O-N 3.26Å; E5-I7 VanDerWaalsContact C-N 3.29Å; E5-I7 PolarHBondContact O-N 3.18Å; E5-R8 VanDerWaalsContact CD-NE 3.34Å; E5-R8 WeakPolarHBondContact O-CB 3.35Å; E5-R8 PolarHBondContact O-N 3.37Å; E5-R8 VanDerWaalsContact O-N 3.15Å; E5-R8 IonicContact OE1-CZ 3.31Å; E5-R8 VanDerWaalsContact OE1-CZ 3.31Å; E5-R8 IonicContact OE1-NE 3.12Å; E5-R8 PolarHBondContact OE1-NE 3.06Å; E5-R8 VanDerWaalsContact OE1-NE 3.12Å; E5-R8 IonicContact OE1-NH2 2.68Å; E5-R8 PolarHBondContact OE1-NH2 3.48Å; E5-R8 IonicContact OE2-CZ 3.83Å; E5-R8 IonicContact OE2-NE 2.88Å; E5-R8 PolarHBondContact OE2-NE 2.74Å; E5-R8 IonicContact OE2-NH2 3.92Å; E5-I9 HydrophobicContact CG-CD1 4.11Å; E5-I9 WeakPolarHBondContact O-CG1 3.45Å; E5-I9 PolarHBondContact O-N 2.9Å
6A91.3Very high90.3Very high29 Ų2989.4 Ų89.424%0.2444%0.441CS..Hα-helixtrans-58.5-41.7173.600000112H2 Y3 I9 S10 F13 A16H2-A6 PolarHBondContact O-N 2.96Å; Y3-A6 PolarHBondContact O-N 3.21Å; A6-I9 PolarHBondContact O-N 3.12Å; A6-S10 PolarHBondContact O-N 3.45Å; A6-F13 HydrophobicContact CB-CD1 4.39Å; A6-A16 HydrophobicContact CB-CB 4.18Å
7I91.2Very high90.5Very high21 Ų2186.1 Ų86.111%0.10842%0.423CS..Hα-helixtrans-68.4-37.9175.7-69.7164000111.5Y3 K4 E5 I9 S10 P11 A16 Y17 M20Y3-I7 WeakPolarHBondContact O-CB 3.49Å; Y3-I7 WeakPolarHBondContact O-CD1 3.4Å; Y3-I7 VanDerWaalsContact O-CG1 3.25Å; Y3-I7 WeakPolarHBondContact O-CG1 3.48Å; Y3-I7 PolarHBondContact O-N 2.9Å; K4-I7 PolarHBondContact O-N 3.03Å; E5-I7 VanDerWaalsContact C-N 3.29Å; E5-I7 PolarHBondContact O-N 3.18Å; I7-I9 VanDerWaalsContact C-N 3.31Å; I7-I9 PolarHBondContact O-N 2.78Å; I7-S10 CarbonylContact O-C 3.15Å; I7-S10 PolarHBondContact O-N 3.46Å; I7-P11 VanDerWaalsContact O-CA 3.27Å; I7-P11 WeakPolarHBondContact O-CA 3.2Å; I7-P11 VanDerWaalsContact O-N 3.1Å; I7-A16 HydrophobicContact CD1-CB 4.49Å; I7-A16 HydrophobicContact CG1-CB 3.89Å; I7-Y17 HydrophobicContact CD1-CD1 3.8Å; I7-Y17 HydrophobicContact CD1-CD2 4.32Å; I7-Y17 HydrophobicContact CD1-CE1 3.88Å; I7-Y17 HydrophobicContact CD1-CE2 4.37Å; I7-Y17 HydrophobicContact CD1-CG 4.05Å; I7-Y17 HydrophobicContact CG1-CD1 4.48Å; I7-Y17 HydrophobicContact CG1-CD2 4.19Å; I7-Y17 HydrophobicContact CG1-CE1 4.34Å; I7-Y17 HydrophobicContact CG1-CE2 4.02Å; I7-Y17 HydrophobicContact CG1-CG 4.42Å; I7-Y17 HydrophobicContact CG2-CE1 4.03Å; I7-Y17 HydrophobicContact CG2-CE2 3.98Å; I7-Y17 VanDerWaalsContact CG2-CZ 3.49Å; I7-Y17 VanDerWaalsContact CG2-OH 3.26Å; I7-Y17 WeakPolarHBondContact CG2-OH 3.43Å; I7-M20 HydrophobicContact CD1-CE 3.53Å; I7-M20 HydrophobicContact CD1-SD 3.81Å
8R92.4Very high90.6Very high167 Ų16781.4 Ų81.463%0.6340%0.4SS*.Hα-helixtrans-62.3-40.8175.8-168.8-169.571.978.90.8111.4K4 E5K4-R8 WeakPolarHBondContact O-CB 3.37Å; K4-R8 PolarHBondContact O-N 3.22Å; E5-R8 VanDerWaalsContact CD-NE 3.34Å; E5-R8 WeakPolarHBondContact O-CB 3.35Å; E5-R8 PolarHBondContact O-N 3.37Å; E5-R8 VanDerWaalsContact O-N 3.15Å; E5-R8 IonicContact OE1-CZ 3.31Å; E5-R8 VanDerWaalsContact OE1-CZ 3.31Å; E5-R8 IonicContact OE1-NE 3.12Å; E5-R8 PolarHBondContact OE1-NE 3.06Å; E5-R8 VanDerWaalsContact OE1-NE 3.12Å; E5-R8 IonicContact OE1-NH2 2.68Å; E5-R8 PolarHBondContact OE1-NH2 3.48Å; E5-R8 IonicContact OE2-CZ 3.83Å; E5-R8 IonicContact OE2-NE 2.88Å; E5-R8 PolarHBondContact OE2-NE 2.74Å; E5-R8 IonicContact OE2-NH2 3.92Å
9I93.4Very high90.8Very high119 Ų11980.6 Ų80.661%0.6140%0.398SS*.Hα-helixtrans-72.8-42.5178.4-65.3166.5000110.9E5 A6 I7E5-I9 HydrophobicContact CG-CD1 4.11Å; E5-I9 WeakPolarHBondContact O-CG1 3.45Å; E5-I9 PolarHBondContact O-N 2.9Å; A6-I9 PolarHBondContact O-N 3.12Å; I7-I9 VanDerWaalsContact C-N 3.31Å; I7-I9 PolarHBondContact O-N 2.78Å
10S91.8Very high90.9Very high46 Ų4678.1 Ų78.132%0.32239%0.385SS..  trans-133.192.1179.6-174.30000111.1A6 I7 T12 F13A6-S10 PolarHBondContact O-N 3.45Å; I7-S10 CarbonylContact O-C 3.15Å; I7-S10 PolarHBondContact O-N 3.46Å; S10-T12 PolarHBondContact O-N 2.94Å; S10-F13 VanDerWaalsContact O-CB 3.3Å; S10-F13 WeakPolarHBondContact O-CB 3.46Å; S10-F13 PolarHBondContact O-N 2.88Å
11P92.2Very high91.1Very high71 Ų7174.4 Ų74.446%0.46137%0.367SS..THydrogen-bonded Turntrans-65-12.5-177.5-25.435.6000114.8I7 Y17I7-P11 VanDerWaalsContact O-CA 3.27Å; I7-P11 WeakPolarHBondContact O-CA 3.2Å; I7-P11 VanDerWaalsContact O-N 3.1Å; P11-Y17 WeakPolarHBondContact O-CE2 3.45Å; P11-Y17 PolarHBondContact O-OH 3.01Å
12T93Very high92.1Very high99 Ų9967 Ų6761%0.60733%0.332SS*.THydrogen-bonded Turntrans-103.318.8177.156.70000112.4S10 A14 I43S10-T12 PolarHBondContact O-N 2.94Å; T12-A14 PolarHBondContact O-N 2.78Å; T12-I43 WeakPolarHBondContact O-CG2 3.49Å
13F93Very high92.1Very high91 Ų9161 Ų6140%0.39931%0.307SS..  trans-86.589179-168.2-170.6000111.9A6 S10 D15 A16 Y17A6-F13 HydrophobicContact CB-CD1 4.39Å; S10-F13 VanDerWaalsContact O-CB 3.3Å; S10-F13 WeakPolarHBondContact O-CB 3.46Å; S10-F13 PolarHBondContact O-N 2.88Å; F13-D15 HydrophobicContact CD2-CB 4.17Å; F13-D15 HydrophobicContact CE2-CB 3.68Å; F13-D15 HydrophobicContact CZ-CB 4.29Å; F13-D15 PolarHBondContact O-N 3.45Å; F13-A16 HydrophobicContact CB-CB 4.16Å; F13-A16 HydrophobicContact CD1-CB 3.59Å; F13-A16 HydrophobicContact CE1-CB 4.1Å; F13-A16 HydrophobicContact CG-CB 3.86Å; F13-A16 PolarHBondContact O-N 3.42Å; F13-Y17 WeakPolarHBondContact O-CD2 3.45Å; F13-Y17 PolarHBondContact O-N 3.12Å
14A92.8Very high92.2Very high7 Ų758.2 Ų58.26%0.05830%0.299CS..Hα-helixtrans-57.3-42.5-173.900000113.9T12 A16 Y17 S18 A40 I43 N44 F47T12-A14 PolarHBondContact O-N 2.78Å; A14-A16 VanDerWaalsContact C-N 3.3Å; A14-A16 PolarHBondContact O-N 3.19Å; A14-Y17 PolarHBondContact O-N 3.37Å; A14-Y17 VanDerWaalsContact O-N 3.17Å; A14-S18 PolarHBondContact O-N 3.47Å; A14-A40 HydrophobicContact CB-CB 4.5Å; A14-I43 HydrophobicContact CB-CB 4.28Å; A14-I43 HydrophobicContact CB-CG2 3.94Å; A14-N44 HydrophobicContact CB-CB 3.96Å; A14-F47 HydrophobicContact CB-CD1 3.95Å; A14-F47 HydrophobicContact CB-CE1 4.15Å
15D93.2Very high92.3Very high74 Ų7454.3 Ų54.340%0.39628%0.282SS..Hα-helixtrans-60.8-37.9178.6-58.8-95.9000112.6F13 Y17 S18 N19 F47F13-D15 HydrophobicContact CD2-CB 4.17Å; F13-D15 HydrophobicContact CE2-CB 3.68Å; F13-D15 HydrophobicContact CZ-CB 4.29Å; F13-D15 PolarHBondContact O-N 3.45Å; D15-Y17 VanDerWaalsContact C-N 3.33Å; D15-Y17 PolarHBondContact O-N 3.21Å; D15-S18 PolarHBondContact O-N 3.16Å; D15-N19 WeakPolarHBondContact O-CB 3.46Å; D15-N19 VanDerWaalsContact O-CG 3.31Å; D15-N19 PolarHBondContact O-N 3.49Å; D15-N19 PolarHBondContact O-ND2 2.65Å; D15-N19 VanDerWaalsContact O-ND2 3.14Å; D15-F47 WeakPolarHBondContact OD1-CZ 3.36Å
16A93.8Very high91.9Very high2 Ų258 Ų582%0.01730%0.299CS..Hα-helixtrans-64.3-39.5177.200000111.5A6 I7 F13 A14 M20A6-A16 HydrophobicContact CB-CB 4.18Å; I7-A16 HydrophobicContact CD1-CB 4.49Å; I7-A16 HydrophobicContact CG1-CB 3.89Å; F13-A16 HydrophobicContact CB-CB 4.16Å; F13-A16 HydrophobicContact CD1-CB 3.59Å; F13-A16 HydrophobicContact CE1-CB 4.1Å; F13-A16 HydrophobicContact CG-CB 3.86Å; F13-A16 PolarHBondContact O-N 3.42Å; A14-A16 VanDerWaalsContact C-N 3.3Å; A14-A16 PolarHBondContact O-N 3.19Å; A16-M20 WeakPolarHBondContact O-CB 3.4Å; A16-M20 PolarHBondContact O-N 3.15Å
17Y94.1Very high91.5Very high34 Ų3463.1 Ų63.113%0.13332%0.319CS..Hα-helixtrans-65-47.2172.6-76.1-81.8000111.8I7 P11 F13 A14 D15 N19 M20 G21 C36 R39 I43I7-Y17 HydrophobicContact CD1-CD1 3.8Å; I7-Y17 HydrophobicContact CD1-CD2 4.32Å; I7-Y17 HydrophobicContact CD1-CE1 3.88Å; I7-Y17 HydrophobicContact CD1-CE2 4.37Å; I7-Y17 HydrophobicContact CD1-CG 4.05Å; I7-Y17 HydrophobicContact CG1-CD1 4.48Å; I7-Y17 HydrophobicContact CG1-CD2 4.19Å; I7-Y17 HydrophobicContact CG1-CE1 4.34Å; I7-Y17 HydrophobicContact CG1-CE2 4.02Å; I7-Y17 HydrophobicContact CG1-CG 4.42Å; I7-Y17 HydrophobicContact CG2-CE1 4.03Å; I7-Y17 HydrophobicContact CG2-CE2 3.98Å; I7-Y17 VanDerWaalsContact CG2-CZ 3.49Å; I7-Y17 VanDerWaalsContact CG2-OH 3.26Å; I7-Y17 WeakPolarHBondContact CG2-OH 3.43Å; P11-Y17 WeakPolarHBondContact O-CE2 3.45Å; P11-Y17 PolarHBondContact O-OH 3.01Å; F13-Y17 WeakPolarHBondContact O-CD2 3.45Å; F13-Y17 PolarHBondContact O-N 3.12Å; A14-Y17 PolarHBondContact O-N 3.37Å; A14-Y17 VanDerWaalsContact O-N 3.17Å; D15-Y17 VanDerWaalsContact C-N 3.33Å; D15-Y17 PolarHBondContact O-N 3.21Å; Y17-N19 PolarHBondContact O-N 3.43Å; Y17-M20 HydrophobicContact CD1-CE 4.41Å; Y17-M20 PolarHBondContact O-N 2.96Å; Y17-G21 PolarHBondContact O-N 3.04Å; Y17-C36 WeakPolarHBondContact O-CB 3.34Å; Y17-R39 HydrophobicContact CD1-CB 3.99Å; Y17-R39 HydrophobicContact CD1-CG 3.83Å; Y17-R39 HydrophobicContact CD2-CG 4.25Å; Y17-R39 HydrophobicContact CE1-CB 4.17Å; Y17-R39 HydrophobicContact CE1-CG 3.58Å; Y17-R39 HydrophobicContact CE2-CG 4.05Å; Y17-R39 HydrophobicContact CG-CB 4.36Å; Y17-R39 HydrophobicContact CG-CG 4.14Å; Y17-I43 HydrophobicContact CD2-CD1 3.65Å; Y17-I43 HydrophobicContact CE2-CD1 3.5Å; Y17-I43 VanDerWaalsContact CE2-CD1 3.5Å
18S92.9Very high91.1Very high2 Ų270.4 Ų70.41%0.01435%0.353CS..Hα-helixtrans-60.3-46.6179.9-170.90000112A14 D15 M20 G21 N22 Y37 N53A14-S18 PolarHBondContact O-N 3.47Å; D15-S18 PolarHBondContact O-N 3.16Å; S18-M20 PolarHBondContact O-N 3.41Å; S18-G21 WeakPolarHBondContact O-CA 3.22Å; S18-G21 PolarHBondContact O-N 3.03Å; S18-G21 VanDerWaalsContact O-N 3.12Å; S18-N22 PolarHBondContact O-N 3.09Å; S18-Y37 WeakPolarHBondContact O-CE1 3.41Å; S18-N53 PolarHBondContact OG-ND2 2.84Å
19N93.7Very high91Very high66 Ų6665.8 Ų65.835%0.35334%0.341SS..Hα-helixtrans-68.2-36.4178.8-69.3-35000112.7Y3 D15 Y17 G21 N22 T23Y3-N19 HydrophobicContact CD1-CB 4.23Å; Y3-N19 HydrophobicContact CE1-CB 3.55Å; Y3-N19 HydrophobicContact CE2-CB 4.17Å; D15-N19 WeakPolarHBondContact O-CB 3.46Å; D15-N19 VanDerWaalsContact O-CG 3.31Å; D15-N19 PolarHBondContact O-N 3.49Å; D15-N19 PolarHBondContact O-ND2 2.65Å; D15-N19 VanDerWaalsContact O-ND2 3.14Å; Y17-N19 PolarHBondContact O-N 3.43Å; N19-G21 VanDerWaalsContact C-N 3.3Å; N19-N22 PolarHBondContact O-N 3.14Å; N19-T23 PolarHBondContact O-N 2.94Å; N19-T23 VanDerWaalsContact O-N 3.09Å; N19-T23 PolarHBondContact O-OG1 3.3Å
20M93.7Very high90.8Very high30 Ų3063.4 Ų63.415%0.14833%0.331CS..Hα-helixtrans-61.9-41.8170.3-170.8167.275.500110.9Y3 K4 I7 A16 Y17 S18 N22 T23 L24 C36Y3-M20 HydrophobicContact CD2-CB 4.19Å; Y3-M20 HydrophobicContact CG-CB 4.14Å; K4-M20 HydrophobicContact CG-SD 3.95Å; I7-M20 HydrophobicContact CD1-CE 3.53Å; I7-M20 HydrophobicContact CD1-SD 3.81Å; A16-M20 WeakPolarHBondContact O-CB 3.4Å; A16-M20 PolarHBondContact O-N 3.15Å; Y17-M20 HydrophobicContact CD1-CE 4.41Å; Y17-M20 PolarHBondContact O-N 2.96Å; S18-M20 PolarHBondContact O-N 3.41Å; M20-N22 VanDerWaalsContact C-N 3.34Å; M20-N22 PolarHBondContact O-N 3.42Å; M20-T23 WeakPolarHBondContact O-CB 3.4Å; M20-T23 PolarHBondContact O-N 2.7Å; M20-L24 HydrophobicContact CG-CD1 4.05Å; M20-L24 HydrophobicContact CG-CG 4.38Å; M20-L24 VanDerWaalsContact O-CG 3.29Å; M20-L24 WeakPolarHBondContact O-CG 3.24Å; M20-L24 PolarHBondContact O-N 3.36Å; M20-C36 WeakPolarHBondContact CE-SG 3.4Å
21G93.4Very high90.8Very high0 Ų068.4 Ų68.40%035%0.35CS..Hα-helixtrans-58.2-43.7175.200000112.6Y17 S18 N19 T23 L24 K25 A33 Y37Y17-G21 PolarHBondContact O-N 3.04Å; S18-G21 WeakPolarHBondContact O-CA 3.22Å; S18-G21 PolarHBondContact O-N 3.03Å; S18-G21 VanDerWaalsContact O-N 3.12Å; N19-G21 VanDerWaalsContact C-N 3.3Å; G21-T23 PolarHBondContact O-N 3.28Å; G21-L24 PolarHBondContact O-N 3.06Å; G21-K25 WeakPolarHBondContact O-CB 3.49Å; G21-K25 PolarHBondContact O-N 2.83Å; G21-A33 WeakPolarHBondContact O-CB 3.36Å; G21-Y37 VanDerWaalsContact C-CZ 3.49Å; G21-Y37 PolarHBondContact O-OH 3.17Å
22N92.3Very high90.8Very high49 Ų4965.4 Ų65.426%0.26233%0.332SS..Hα-helixtrans-60.7-44.8175.1-67.6-14.3000111.8S18 N19 M20 L24 K25 E26 Y37 N53S18-N22 PolarHBondContact O-N 3.09Å; N19-N22 PolarHBondContact O-N 3.14Å; M20-N22 VanDerWaalsContact C-N 3.34Å; M20-N22 PolarHBondContact O-N 3.42Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-L24 PolarHBondContact O-N 3.27Å; N22-K25 WeakPolarHBondContact O-CB 3.47Å; N22-K25 PolarHBondContact O-N 2.88Å; N22-E26 WeakPolarHBondContact O-CG 3.34Å; N22-E26 PolarHBondContact O-N 2.95Å; N22-Y37 VanDerWaalsContact CA-OH 3.31Å; N22-Y37 WeakPolarHBondContact CA-OH 3.46Å; N22-Y37 PolarHBondContact N-OH 2.92Å; N22-Y37 VanDerWaalsContact N-OH 3.17Å; N22-Y37 WeakPolarHBondContact OD1-CE1 3.29Å; N22-Y37 PolarHBondContact OD1-OH 3.24Å; N22-N53 PolarHBondContact OD1-ND2 3.31Å
23T90.6Very high90.9Very high45 Ų4560.7 Ų60.728%0.27630%0.303SS..Hα-helixtrans-62.5-42.3177.2-50.50000111.3Y3 N19 M20 G21 E26 M27Y3-T23 WeakPolarHBondContact CE2-OG1 3.42Å; N19-T23 PolarHBondContact O-N 2.94Å; N19-T23 VanDerWaalsContact O-N 3.09Å; N19-T23 PolarHBondContact O-OG1 3.3Å; M20-T23 WeakPolarHBondContact O-CB 3.4Å; M20-T23 PolarHBondContact O-N 2.7Å; G21-T23 PolarHBondContact O-N 3.28Å; T23-E26 PolarHBondContact O-N 2.75Å; T23-M27 HydrophobicContact CG2-CE 3.82Å; T23-M27 HydrophobicContact CG2-SD 4.38Å; T23-M27 WeakPolarHBondContact O-CG 3.28Å; T23-M27 PolarHBondContact O-N 3.47Å
24L90.4Very high90.9Very high35 Ų3559.3 Ų59.318%0.18330%0.299CS..Hα-helixtrans-65.7-39.2177.2-70.9170.3000111.7M20 G21 N22 E26 M27 Q28 D29 A33 C36M20-L24 HydrophobicContact CG-CD1 4.05Å; M20-L24 HydrophobicContact CG-CG 4.38Å; M20-L24 VanDerWaalsContact O-CG 3.29Å; M20-L24 WeakPolarHBondContact O-CG 3.24Å; M20-L24 PolarHBondContact O-N 3.36Å; G21-L24 PolarHBondContact O-N 3.06Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-L24 PolarHBondContact O-N 3.27Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-E26 PolarHBondContact O-N 3.02Å; L24-M27 CarbonylContact O-C 3.26Å; L24-M27 WeakPolarHBondContact O-CA 2.93Å; L24-M27 PolarHBondContact O-N 3.31Å; L24-M27 VanDerWaalsContact O-N 3.14Å; L24-Q28 PolarHBondContact O-N 3.03Å; L24-Q28 VanDerWaalsContact O-N 3.15Å; L24-D29 HydrophobicContact CB-CB 4.3Å; L24-D29 HydrophobicContact CD2-CB 4.22Å; L24-D29 PolarHBondContact O-N 3.45Å; L24-A33 HydrophobicContact CB-CB 4.15Å; L24-C36 VanDerWaalsContact CD1-SG 3.54Å
25K88.1Confident91Very high71 Ų7165.3 Ų65.331%0.30933%0.327SS..Hα-helixtrans-59.5-45.6173.7-174-172-179.2-171.20111G21 N22 M27 Q28 A33 I57 D60G21-K25 WeakPolarHBondContact O-CB 3.49Å; G21-K25 PolarHBondContact O-N 2.83Å; N22-K25 WeakPolarHBondContact O-CB 3.47Å; N22-K25 PolarHBondContact O-N 2.88Å; K25-M27 VanDerWaalsContact C-N 3.26Å; K25-M27 PolarHBondContact O-N 2.85Å; K25-Q28 WeakPolarHBondContact O-CA 3.41Å; K25-Q28 PolarHBondContact O-N 3.33Å; K25-A33 HydrophobicContact CB-CB 4.1Å; K25-I57 HydrophobicContact CB-CD1 4.38Å; K25-I57 HydrophobicContact CD-CD1 3.75Å; K25-I57 HydrophobicContact CG-CD1 3.78Å; K25-D60 WeakPolarHBondContact CE-OD2 3.31Å; K25-D60 IonicContact NZ-OD2 2.76Å; K25-D60 PolarHBondContact NZ-OD2 3.16Å
26E83.5Confident91.1Very high161 Ų16162.2 Ų62.275%0.75231%0.31SS*.Hα-helixtrans-62.4-34.5175.7-72.1177.1-179.600112.3N22 T23 L24 Q28N22-E26 WeakPolarHBondContact O-CG 3.34Å; N22-E26 PolarHBondContact O-N 2.95Å; T23-E26 PolarHBondContact O-N 2.75Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-E26 PolarHBondContact O-N 3.02Å; E26-Q28 PolarHBondContact O-N 2.97Å
27M81.9Confident91.2Very high136 Ų13662.1 Ų62.167%0.6731%0.31SS*.THydrogen-bonded Turntrans-77.35.1172.5-66.6178.2179.300113.9T23 L24 K25 D29T23-M27 HydrophobicContact CG2-CE 3.82Å; T23-M27 HydrophobicContact CG2-SD 4.38Å; T23-M27 WeakPolarHBondContact O-CG 3.28Å; T23-M27 PolarHBondContact O-N 3.47Å; L24-M27 CarbonylContact O-C 3.26Å; L24-M27 WeakPolarHBondContact O-CA 2.93Å; L24-M27 PolarHBondContact O-N 3.31Å; L24-M27 VanDerWaalsContact O-N 3.14Å; K25-M27 VanDerWaalsContact C-N 3.26Å; K25-M27 PolarHBondContact O-N 2.85Å; M27-D29 PolarHBondContact O-N 3.31Å
28Q83.5Confident91.2Very high173 Ų17363.1 Ų63.181%0.80832%0.319SS*.THydrogen-bonded Turntrans61.914.6-175.7-54.1-173.4-7.300115.3L24 K25 E26 V30L24-Q28 PolarHBondContact O-N 3.03Å; L24-Q28 VanDerWaalsContact O-N 3.15Å; K25-Q28 WeakPolarHBondContact O-CA 3.41Å; K25-Q28 PolarHBondContact O-N 3.33Å; E26-Q28 PolarHBondContact O-N 2.97Å; Q28-V30 VanDerWaalsContact C-N 3.31Å; Q28-V30 PolarHBondContact O-N 3.46Å
29D89.3Confident91.4Very high70 Ų7067.7 Ų67.737%0.37434%0.336SS..  trans-81.878.7169.4-178.16.4000110.1L24 M27 Q31 G32 A33L24-D29 HydrophobicContact CB-CB 4.3Å; L24-D29 HydrophobicContact CD2-CB 4.22Å; L24-D29 PolarHBondContact O-N 3.45Å; M27-D29 PolarHBondContact O-N 3.31Å; D29-Q31 PolarHBondContact O-N 2.83Å; D29-G32 PolarHBondContact O-N 2.91Å; D29-G32 PolarHBondContact OD1-N 3.02Å; D29-A33 WeakPolarHBondContact O-CB 3.29Å; D29-A33 PolarHBondContact O-N 3.32Å
30V90Very high91.5Very high69 Ų6964.6 Ų64.642%0.41832%0.32SS..Hα-helixtrans-63.9-40-176.7-179.80000111.8Q28 A33 L34 I57Q28-V30 VanDerWaalsContact C-N 3.31Å; Q28-V30 PolarHBondContact O-N 3.46Å; V30-A33 PolarHBondContact O-N 3.48Å; V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 PolarHBondContact O-N 2.74Å; V30-I57 HydrophobicContact CG1-CG2 3.85Å
31Q91.7Very high91.6Very high151 Ų15164.5 Ų64.571%0.70632%0.319SS*.Hα-helixtrans-68.1-44.4179.8-72.7-168.6-8.500111.3D29 A33 L34 Q35D29-Q31 PolarHBondContact O-N 2.83Å; Q31-A33 VanDerWaalsContact C-N 3.33Å; Q31-A33 PolarHBondContact O-N 2.78Å; Q31-L34 PolarHBondContact O-N 2.98Å; Q31-Q35 WeakPolarHBondContact O-CG 3.31Å; Q31-Q35 PolarHBondContact O-N 3.19Å
32G92.7Very high91.7Very high9 Ų970.2 Ų70.29%0.09335%0.346CS..Hα-helixtrans-61-42.4174.700000112D29 Q35 C36D29-G32 PolarHBondContact O-N 2.91Å; D29-G32 PolarHBondContact OD1-N 3.02Å; G32-Q35 PolarHBondContact O-N 3.43Å; G32-C36 PolarHBondContact O-N 2.85Å; G32-C36 PolarHBondContact O-SG 2.98Å
33A94.2Very high91.9Very high0 Ų070 Ų700%035%0.345CS..Hα-helixtrans-60.5-47175.600000111.9G21 L24 K25 D29 V30 Q31 Q35 C36 Y37 I57G21-A33 WeakPolarHBondContact O-CB 3.36Å; L24-A33 HydrophobicContact CB-CB 4.15Å; K25-A33 HydrophobicContact CB-CB 4.1Å; D29-A33 WeakPolarHBondContact O-CB 3.29Å; D29-A33 PolarHBondContact O-N 3.32Å; V30-A33 PolarHBondContact O-N 3.48Å; Q31-A33 VanDerWaalsContact C-N 3.33Å; Q31-A33 PolarHBondContact O-N 2.78Å; A33-Q35 PolarHBondContact O-N 3.46Å; A33-C36 WeakPolarHBondContact O-CB 3.47Å; A33-C36 PolarHBondContact O-N 3.13Å; A33-Y37 HydrophobicContact CB-CE2 3.93Å; A33-Y37 WeakPolarHBondContact O-CD2 3.46Å; A33-Y37 PolarHBondContact O-N 3.23Å; A33-I57 HydrophobicContact CB-CD1 4.29Å
34L93.9Very high92.1Very high61 Ų6171 Ų7132%0.31935%0.348SS..Hα-helixtrans-56.5-49.9177.6-165.888.3000111.4V30 Q31 C36 Y37 T38 L54 I57V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 PolarHBondContact O-N 2.74Å; Q31-L34 PolarHBondContact O-N 2.98Å; L34-C36 VanDerWaalsContact C-N 3.29Å; L34-C36 PolarHBondContact O-N 3.42Å; L34-Y37 PolarHBondContact O-N 2.92Å; L34-T38 WeakPolarHBondContact O-CB 3.45Å; L34-T38 PolarHBondContact O-N 3.38Å; L34-T38 PolarHBondContact O-OG1 3.2Å; L34-L54 HydrophobicContact CD1-CD1 3.45Å; L34-L54 VanDerWaalsContact CD1-CD1 3.45Å; L34-L54 HydrophobicContact CG-CD1 4.23Å; L34-I57 HydrophobicContact CD1-CB 4.44Å; L34-I57 HydrophobicContact CD1-CG2 3.75Å
35Q94.4Very high92.4Very high134 Ų13473.5 Ų73.563%0.62637%0.366SS*.Hα-helixtrans-59.3-41.4178.8-70.8176.26.300111.9Q31 G32 A33 R39Q31-Q35 WeakPolarHBondContact O-CG 3.31Å; Q31-Q35 PolarHBondContact O-N 3.19Å; G32-Q35 PolarHBondContact O-N 3.43Å; A33-Q35 PolarHBondContact O-N 3.46Å; Q35-R39 VanDerWaalsContact O-CB 3.3Å; Q35-R39 WeakPolarHBondContact O-CB 3.33Å; Q35-R39 PolarHBondContact O-N 2.98Å
36C95.2Very high92.8Very high8 Ų873 Ų735%0.05438%0.376CS..Hα-helixtrans-62.8-48.3177.5-70.10000111.9Y17 M20 L24 G32 A33 L34 R39 A40Y17-C36 WeakPolarHBondContact O-CB 3.34Å; M20-C36 WeakPolarHBondContact CE-SG 3.4Å; L24-C36 VanDerWaalsContact CD1-SG 3.54Å; G32-C36 PolarHBondContact O-N 2.85Å; G32-C36 PolarHBondContact O-SG 2.98Å; A33-C36 WeakPolarHBondContact O-CB 3.47Å; A33-C36 PolarHBondContact O-N 3.13Å; L34-C36 VanDerWaalsContact C-N 3.29Å; L34-C36 PolarHBondContact O-N 3.42Å; C36-R39 PolarHBondContact O-N 3.4Å; C36-A40 PolarHBondContact O-N 3.49Å
37Y95.9Very high93.4Very high1 Ų166.3 Ų66.30%0.00434%0.344CS..Hα-helixtrans-65.3-43.7178.8-57.6-44.5000112.1S18 G21 N22 A33 L34 R39 A40 I41 N53 I57S18-Y37 WeakPolarHBondContact O-CE1 3.41Å; G21-Y37 VanDerWaalsContact C-CZ 3.49Å; G21-Y37 PolarHBondContact O-OH 3.17Å; N22-Y37 VanDerWaalsContact CA-OH 3.31Å; N22-Y37 WeakPolarHBondContact CA-OH 3.46Å; N22-Y37 PolarHBondContact N-OH 2.92Å; N22-Y37 VanDerWaalsContact N-OH 3.17Å; N22-Y37 WeakPolarHBondContact OD1-CE1 3.29Å; N22-Y37 PolarHBondContact OD1-OH 3.24Å; A33-Y37 HydrophobicContact CB-CE2 3.93Å; A33-Y37 WeakPolarHBondContact O-CD2 3.46Å; A33-Y37 PolarHBondContact O-N 3.23Å; L34-Y37 PolarHBondContact O-N 2.92Å; Y37-R39 VanDerWaalsContact C-N 3.27Å; Y37-R39 PolarHBondContact O-N 2.96Å; Y37-A40 WeakPolarHBondContact O-CB 3.39Å; Y37-A40 PolarHBondContact O-N 2.88Å; Y37-I41 WeakPolarHBondContact O-CG1 3.33Å; Y37-I41 PolarHBondContact O-N 2.95Å; Y37-N53 HydrophobicContact CD1-CB 3.85Å; Y37-N53 HydrophobicContact CD2-CB 4.39Å; Y37-N53 HydrophobicContact CE1-CB 3.5Å; Y37-N53 HydrophobicContact CE2-CB 4.09Å; Y37-N53 HydrophobicContact CG-CB 4.28Å; Y37-I57 HydrophobicContact CD2-CG1 4.02Å; Y37-I57 HydrophobicContact CE2-CD1 4.19Å; Y37-I57 HydrophobicContact CE2-CG1 3.64Å
38T94.8Very high94.1Very high55 Ų5560.2 Ų60.234%0.33732%0.316SS..Hα-helixtrans-58.6-42175-58.10000110.9L34 I41 Q42L34-T38 WeakPolarHBondContact O-CB 3.45Å; L34-T38 PolarHBondContact O-N 3.38Å; L34-T38 PolarHBondContact O-OG1 3.2Å; T38-I41 PolarHBondContact O-N 3.09Å; T38-Q42 WeakPolarHBondContact O-CG 3.44Å; T38-Q42 PolarHBondContact O-N 3.36Å
39R95.4Very high94.7Very high98 Ų9854.9 Ų54.937%0.3729%0.292SS..Hα-helixtrans-67.4-40.7177.8-173.255.8178.8168.83.9112.3Y17 Q35 C36 Y37 I41 Q42 I43Y17-R39 HydrophobicContact CD1-CB 3.99Å; Y17-R39 HydrophobicContact CD1-CG 3.83Å; Y17-R39 HydrophobicContact CD2-CG 4.25Å; Y17-R39 HydrophobicContact CE1-CB 4.17Å; Y17-R39 HydrophobicContact CE1-CG 3.58Å; Y17-R39 HydrophobicContact CE2-CG 4.05Å; Y17-R39 HydrophobicContact CG-CB 4.36Å; Y17-R39 HydrophobicContact CG-CG 4.14Å; Q35-R39 VanDerWaalsContact O-CB 3.3Å; Q35-R39 WeakPolarHBondContact O-CB 3.33Å; Q35-R39 PolarHBondContact O-N 2.98Å; C36-R39 PolarHBondContact O-N 3.4Å; Y37-R39 VanDerWaalsContact C-N 3.27Å; Y37-R39 PolarHBondContact O-N 2.96Å; R39-I41 VanDerWaalsContact C-N 3.3Å; R39-I41 PolarHBondContact O-N 3.2Å; R39-Q42 VanDerWaalsContact NH1-OE1 3.08Å; R39-Q42 PolarHBondContact O-N 3.37Å; R39-I43 HydrophobicContact CG-CD1 3.92Å; R39-I43 WeakPolarHBondContact O-CD1 3.24Å; R39-I43 VanDerWaalsContact O-CG1 3.3Å; R39-I43 WeakPolarHBondContact O-CG1 3.27Å; R39-I43 PolarHBondContact O-N 3.36Å
40A96.3Very high95Very high0 Ų051.5 Ų51.50%027%0.274CS..Hα-helixtrans-58.3-43174.300000111.5A14 C36 Y37 I43 N44 F47 A50A14-A40 HydrophobicContact CB-CB 4.5Å; C36-A40 PolarHBondContact O-N 3.49Å; Y37-A40 WeakPolarHBondContact O-CB 3.39Å; Y37-A40 PolarHBondContact O-N 2.88Å; A40-I43 PolarHBondContact O-N 3.43Å; A40-N44 PolarHBondContact O-N 2.85Å; A40-F47 HydrophobicContact CB-CD1 4.23Å; A40-F47 HydrophobicContact CB-CE1 4.49Å; A40-A50 HydrophobicContact CB-CB 3.98Å
41I96.3Very high95.3Very high28 Ų2849.3 Ų49.314%0.14426%0.259CS..Hα-helixtrans-68.3-38.7177-66.6163.3000111.8Y37 T38 R39 I43 N44 P45 A50 L54Y37-I41 WeakPolarHBondContact O-CG1 3.33Å; Y37-I41 PolarHBondContact O-N 2.95Å; T38-I41 PolarHBondContact O-N 3.09Å; R39-I41 VanDerWaalsContact C-N 3.3Å; R39-I41 PolarHBondContact O-N 3.2Å; I41-I43 VanDerWaalsContact C-N 3.31Å; I41-I43 PolarHBondContact O-N 3.03Å; I41-N44 CarbonylContact O-C 3.13Å; I41-P45 WeakPolarHBondContact O-CA 3.48Å; I41-P45 WeakPolarHBondContact O-CD 3.49Å; I41-A50 HydrophobicContact CD1-CB 4.46Å; I41-A50 HydrophobicContact CG1-CB 3.82Å; I41-L54 HydrophobicContact CD1-CB 4.29Å; I41-L54 HydrophobicContact CD1-CD2 3.62Å
42Q96.1Very high95.6Very high120 Ų12042.2 Ų42.256%0.56123%0.227SC*.Hα-helixtrans-62.8-39.2175.4-75.9174.9-4.700112.4T38 R39T38-Q42 WeakPolarHBondContact O-CG 3.44Å; T38-Q42 PolarHBondContact O-N 3.36Å; R39-Q42 VanDerWaalsContact NH1-OE1 3.08Å; R39-Q42 PolarHBondContact O-N 3.37Å
43I95.8Very high95.7Very high46 Ų4643.4 Ų43.424%0.23623%0.231CC..Hα-helixtrans-72.8-45.4179.1-68.7164.5000110.5T12 A14 Y17 R39 A40 I41T12-I43 WeakPolarHBondContact O-CG2 3.49Å; A14-I43 HydrophobicContact CB-CB 4.28Å; A14-I43 HydrophobicContact CB-CG2 3.94Å; Y17-I43 HydrophobicContact CD2-CD1 3.65Å; Y17-I43 HydrophobicContact CE2-CD1 3.5Å; Y17-I43 VanDerWaalsContact CE2-CD1 3.5Å; R39-I43 HydrophobicContact CG-CD1 3.92Å; R39-I43 WeakPolarHBondContact O-CD1 3.24Å; R39-I43 VanDerWaalsContact O-CG1 3.3Å; R39-I43 WeakPolarHBondContact O-CG1 3.27Å; R39-I43 PolarHBondContact O-N 3.36Å; A40-I43 PolarHBondContact O-N 3.43Å; I41-I43 VanDerWaalsContact C-N 3.31Å; I41-I43 PolarHBondContact O-N 3.03Å
44N95.9Very high95.8Very high64 Ų6444.3 Ų44.334%0.34224%0.236SC..  trans-130.692.5177.7-178.85.4000110.3A14 A40 I41 A46 F47A14-N44 HydrophobicContact CB-CB 3.96Å; A40-N44 PolarHBondContact O-N 2.85Å; I41-N44 CarbonylContact O-C 3.13Å; N44-A46 PolarHBondContact O-N 2.87Å; N44-A46 VanDerWaalsContact O-N 3.12Å; N44-A46 PolarHBondContact OD1-N 3.23Å; N44-F47 HydrophobicContact CB-CB 4.06Å; N44-F47 WeakPolarHBondContact O-CB 3.3Å; N44-F47 PolarHBondContact O-N 3.16Å
45P96.1Very high95.9Very high88 Ų8841.4 Ų41.457%0.57122%0.22SC*.THydrogen-bonded Turntrans-60.7-23.6-179.6-27.436.2000114.4I41 F47 H51I41-P45 WeakPolarHBondContact O-CA 3.48Å; I41-P45 WeakPolarHBondContact O-CD 3.49Å; P45-F47 VanDerWaalsContact C-N 3.3Å; P45-H51 PolarHBondContact O-NE2 2.78Å
46A96Very high96Very high61 Ų6135.9 Ų35.950%0.50420%0.197SC..THydrogen-bonded Turntrans-877.2178.600000113.5N44 A48 L77N44-A46 PolarHBondContact O-N 2.87Å; N44-A46 VanDerWaalsContact O-N 3.12Å; N44-A46 PolarHBondContact OD1-N 3.23Å; A46-A48 PolarHBondContact O-N 3.5Å; A46-L77 HydrophobicContact CB-CD2 4.15Å
47F95.8Very high95.9Very high21 Ų2135.7 Ų35.79%0.09220%0.195CC..  trans-78.188.1-177.2-165.5-173.4000112.5A14 D15 A40 N44 P45 D49 A50 H51A14-F47 HydrophobicContact CB-CD1 3.95Å; A14-F47 HydrophobicContact CB-CE1 4.15Å; D15-F47 WeakPolarHBondContact OD1-CZ 3.36Å; A40-F47 HydrophobicContact CB-CD1 4.23Å; A40-F47 HydrophobicContact CB-CE1 4.49Å; N44-F47 HydrophobicContact CB-CB 4.06Å; N44-F47 WeakPolarHBondContact O-CB 3.3Å; N44-F47 PolarHBondContact O-N 3.16Å; P45-F47 VanDerWaalsContact C-N 3.3Å; F47-D49 VanDerWaalsContact C-N 3.33Å; F47-D49 HydrophobicContact CD2-CB 4.27Å; F47-D49 HydrophobicContact CE2-CB 3.84Å; F47-D49 PolarHBondContact O-N 3.03Å; F47-A50 HydrophobicContact CB-CB 4.19Å; F47-A50 HydrophobicContact CD1-CB 3.62Å; F47-A50 HydrophobicContact CE1-CB 4.17Å; F47-A50 HydrophobicContact CG-CB 3.89Å; F47-A50 PolarHBondContact O-N 3.1Å; F47-H51 PolarHBondContact O-CD2 3.33Å; F47-H51 VanDerWaalsContact O-CD2 3.3Å; F47-H51 PolarHBondContact O-N 3.35Å
48A97.1Very high95.8Very high8 Ų837.5 Ų37.57%0.06620%0.203CC..Hα-helixtrans-54.8-42-175.500000114A46 A50 H51 S52 A74 L77 K78 F81A46-A48 PolarHBondContact O-N 3.5Å; A48-A50 VanDerWaalsContact C-N 3.34Å; A48-A50 PolarHBondContact O-N 3.32Å; A48-H51 PolarHBondContact O-N 3.05Å; A48-S52 PolarHBondContact O-N 3.3Å; A48-A74 WeakPolarHBondContact O-CB 3.41Å; A48-L77 HydrophobicContact CB-CB 3.94Å; A48-K78 HydrophobicContact CB-CB 3.66Å; A48-K78 HydrophobicContact CB-CD 4.35Å; A48-F81 HydrophobicContact CB-CD1 4.41Å; A48-F81 HydrophobicContact CB-CE1 4.27Å
49D95.3Very high95.9Very high60 Ų6036.7 Ų36.732%0.32120%0.195SC..Hα-helixtrans-64.9-38.2-178.3-56.7-56000111.7F47 H51 S52 N53 K78 F81F47-D49 VanDerWaalsContact C-N 3.33Å; F47-D49 HydrophobicContact CD2-CB 4.27Å; F47-D49 HydrophobicContact CE2-CB 3.84Å; F47-D49 PolarHBondContact O-N 3.03Å; D49-H51 PolarHBondContact O-N 3.44Å; D49-S52 PolarHBondContact O-N 2.97Å; D49-N53 WeakPolarHBondContact O-CB 3.41Å; D49-N53 PolarHBondContact O-N 2.98Å; D49-N53 PolarHBondContact O-ND2 3.12Å; D49-K78 IonicContact OD1-NZ 2.75Å; D49-F81 HydrophobicContact CB-CZ 4.47Å; D49-F81 WeakPolarHBondContact OD1-CZ 3.49Å
50A95.5Very high95.6Very high0 Ų036.4 Ų36.40%020%0.201CC..Hα-helixtrans-65.1-37.7175.600000112.3A40 I41 F47 A48 N53 L54A40-A50 HydrophobicContact CB-CB 3.98Å; I41-A50 HydrophobicContact CD1-CB 4.46Å; I41-A50 HydrophobicContact CG1-CB 3.82Å; F47-A50 HydrophobicContact CB-CB 4.19Å; F47-A50 HydrophobicContact CD1-CB 3.62Å; F47-A50 HydrophobicContact CE1-CB 4.17Å; F47-A50 HydrophobicContact CG-CB 3.89Å; F47-A50 PolarHBondContact O-N 3.1Å; A48-A50 VanDerWaalsContact C-N 3.34Å; A48-A50 PolarHBondContact O-N 3.32Å; A50-N53 PolarHBondContact O-N 3.07Å; A50-L54 WeakPolarHBondContact O-CB 3.42Å; A50-L54 PolarHBondContact O-N 3.4Å
51H97.8Very high95.4Very high22 Ų2239.5 Ų39.510%0.10222%0.223CC..Hα-helixtrans-64.1-41.6172.8-75.7-78.9000112.2P45 F47 A48 D49 L54 A55 A74P45-H51 PolarHBondContact O-NE2 2.78Å; F47-H51 PolarHBondContact O-CD2 3.33Å; F47-H51 VanDerWaalsContact O-CD2 3.3Å; F47-H51 PolarHBondContact O-N 3.35Å; A48-H51 PolarHBondContact O-N 3.05Å; D49-H51 PolarHBondContact O-N 3.44Å; H51-L54 PolarHBondContact O-N 3.48Å; H51-A55 WeakPolarHBondContact O-CB 3.34Å; H51-A55 PolarHBondContact O-N 3.03Å; H51-A74 HydrophobicContact CB-CB 3.91Å
52S97.5Very high95.2Very high3 Ų340.6 Ų40.62%0.02124%0.241CC..Hα-helixtrans-65-41.9176.6-171.60000112.3A48 D49 A55 S56A48-S52 PolarHBondContact O-N 3.3Å; D49-S52 PolarHBondContact O-N 2.97Å; S52-A55 WeakPolarHBondContact O-CB 3.37Å; S52-A55 PolarHBondContact O-N 2.8Å; S52-S56 PolarHBondContact O-N 3.2Å; S52-S56 PolarHBondContact O-OG 2.61Å
53N94.6Very high95.1Very high34 Ų3438.7 Ų38.718%0.18223%0.234CC..Hα-helixtrans-66.8-41.1177.3-65.8-21.2000111.5S18 N22 Y37 D49 A50 S56 I57S18-N53 PolarHBondContact OG-ND2 2.84Å; N22-N53 PolarHBondContact OD1-ND2 3.31Å; Y37-N53 HydrophobicContact CD1-CB 3.85Å; Y37-N53 HydrophobicContact CD2-CB 4.39Å; Y37-N53 HydrophobicContact CE1-CB 3.5Å; Y37-N53 HydrophobicContact CE2-CB 4.09Å; Y37-N53 HydrophobicContact CG-CB 4.28Å; D49-N53 WeakPolarHBondContact O-CB 3.41Å; D49-N53 PolarHBondContact O-N 2.98Å; D49-N53 PolarHBondContact O-ND2 3.12Å; A50-N53 PolarHBondContact O-N 3.07Å; N53-S56 WeakPolarHBondContact O-CB 3.41Å; N53-S56 PolarHBondContact O-N 2.98Å; N53-I57 PolarHBondContact O-N 3.23Å
54L95.7Very high95.2Very high18 Ų1837 Ų379%0.09423%0.226CC..Hα-helixtrans-61.6-43.7172.8-179.261.8000111.7L34 I41 A50 H51 S56 I57 H58L34-L54 HydrophobicContact CD1-CD1 3.45Å; L34-L54 VanDerWaalsContact CD1-CD1 3.45Å; L34-L54 HydrophobicContact CG-CD1 4.23Å; I41-L54 HydrophobicContact CD1-CB 4.29Å; I41-L54 HydrophobicContact CD1-CD2 3.62Å; A50-L54 WeakPolarHBondContact O-CB 3.42Å; A50-L54 PolarHBondContact O-N 3.4Å; H51-L54 PolarHBondContact O-N 3.48Å; L54-S56 PolarHBondContact O-N 2.96Å; L54-I57 WeakPolarHBondContact O-CB 3.07Å; L54-I57 PolarHBondContact O-N 2.81Å; L54-I57 VanDerWaalsContact O-N 3.1Å; L54-H58 PolarHBondContact O-CD2 3.37Å; L54-H58 PolarHBondContact O-N 3.04Å
55A97.3Very high95.3Very high0 Ų037.1 Ų37.10%023%0.23CC..Hα-helixtrans-59.4-37.117600000112.2H51 S52 H58 K59 A67 S70 Y71H51-A55 WeakPolarHBondContact O-CB 3.34Å; H51-A55 PolarHBondContact O-N 3.03Å; S52-A55 WeakPolarHBondContact O-CB 3.37Å; S52-A55 PolarHBondContact O-N 2.8Å; A55-H58 PolarHBondContact O-N 3.04Å; A55-K59 WeakPolarHBondContact O-CB 3.31Å; A55-K59 PolarHBondContact O-N 2.64Å; A55-A67 WeakPolarHBondContact O-CB 3.49Å; A55-S70 VanDerWaalsContact CB-CB 3.49Å; A55-Y71 HydrophobicContact CB-CD1 3.53Å; A55-Y71 HydrophobicContact CB-CD2 3.62Å; A55-Y71 HydrophobicContact CB-CE1 3.48Å; A55-Y71 VanDerWaalsContact CB-CE1 3.48Å; A55-Y71 HydrophobicContact CB-CE2 3.55Å; A55-Y71 HydrophobicContact CB-CG 3.58Å; A55-Y71 VanDerWaalsContact CB-CZ 3.46Å
56S94.9Very high95.4Very high18 Ų1837.5 Ų37.513%0.12622%0.224CC..Hα-helixtrans-62.7-41.4174.7-63.90000112S52 N53 L54 K59 D60 Y71S52-S56 PolarHBondContact O-N 3.2Å; S52-S56 PolarHBondContact O-OG 2.61Å; N53-S56 WeakPolarHBondContact O-CB 3.41Å; N53-S56 PolarHBondContact O-N 2.98Å; L54-S56 PolarHBondContact O-N 2.96Å; S56-K59 PolarHBondContact O-N 3.02Å; S56-D60 WeakPolarHBondContact O-CB 3.42Å; S56-D60 PolarHBondContact O-N 3.27Å; S56-Y71 VanDerWaalsContact CA-OH 3.29Å; S56-Y71 WeakPolarHBondContact CA-OH 3.46Å; S56-Y71 PolarHBondContact N-OH 3.11Å; S56-Y71 PolarHBondContact OG-OH 2.71Å
57I93.4Very high95.5Very high5 Ų534.6 Ų34.63%0.02620%0.2CC..Hα-helixtrans-62.6-47.3174.9-63.4-63.1000110.9K25 V30 A33 L34 Y37 N53 L54 K59 D60 S61K25-I57 HydrophobicContact CB-CD1 4.38Å; K25-I57 HydrophobicContact CD-CD1 3.75Å; K25-I57 HydrophobicContact CG-CD1 3.78Å; V30-I57 HydrophobicContact CG1-CG2 3.85Å; A33-I57 HydrophobicContact CB-CD1 4.29Å; L34-I57 HydrophobicContact CD1-CB 4.44Å; L34-I57 HydrophobicContact CD1-CG2 3.75Å; Y37-I57 HydrophobicContact CD2-CG1 4.02Å; Y37-I57 HydrophobicContact CE2-CD1 4.19Å; Y37-I57 HydrophobicContact CE2-CG1 3.64Å; N53-I57 PolarHBondContact O-N 3.23Å; L54-I57 WeakPolarHBondContact O-CB 3.07Å; L54-I57 PolarHBondContact O-N 2.81Å; L54-I57 VanDerWaalsContact O-N 3.1Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.23Å; I57-D60 PolarHBondContact O-N 3.18Å; I57-S61 WeakPolarHBondContact O-CB 3.45Å; I57-S61 PolarHBondContact O-N 3.12Å; I57-S61 PolarHBondContact O-OG 3.37Å
58H95.2Very high95.6Very high38 Ų3834.3 Ų34.318%0.17620%0.2CC..Hα-helixtrans-58.3-44.9176.1-71.6-49000112.4L54 A55 S61 G62 N63 E66 A67L54-H58 PolarHBondContact O-CD2 3.37Å; L54-H58 PolarHBondContact O-N 3.04Å; A55-H58 PolarHBondContact O-N 3.04Å; H58-S61 PolarHBondContact O-N 2.94Å; H58-G62 PolarHBondContact O-N 3.37Å; H58-N63 HydrophobicContact CB-CB 4.33Å; H58-N63 PolarHBondContact O-N 2.96Å; H58-E66 HydrophobicContact CB-CB 4.23Å; H58-A67 HydrophobicContact CB-CB 3.87Å
59K95.3Very high95.6Very high39 Ų3936.5 Ų36.517%0.1722%0.217CC..Hα-helixtrans-59.1-50.3176175.5-174.4155.6-74.10111.3A55 S56 I57 S61 G62 I64 A67A55-K59 WeakPolarHBondContact O-CB 3.31Å; A55-K59 PolarHBondContact O-N 2.64Å; S56-K59 PolarHBondContact O-N 3.02Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.23Å; K59-S61 PolarHBondContact O-N 3.35Å; K59-G62 PolarHBondContact O-N 2.82Å; K59-I64 HydrophobicContact CG-CD1 4.48Å; K59-A67 HydrophobicContact CB-CB 3.91Å
60D90Very high95.8Very high91 Ų9134.4 Ų34.449%0.48721%0.208SC..Hα-helixtrans-68.6-19.4-177-63.3-18000111.9K25 S56 I57K25-D60 WeakPolarHBondContact CE-OD2 3.31Å; K25-D60 IonicContact NZ-OD2 2.76Å; K25-D60 PolarHBondContact NZ-OD2 3.16Å; S56-D60 WeakPolarHBondContact O-CB 3.42Å; S56-D60 PolarHBondContact O-N 3.27Å; I57-D60 PolarHBondContact O-N 3.18Å
61S91.3Very high95.9Very high66 Ų6634.4 Ų34.446%0.46221%0.208SC..THydrogen-bonded Turntrans-89.9-3.3174.2-50.80000113.4I57 H58 K59 N63I57-S61 WeakPolarHBondContact O-CB 3.45Å; I57-S61 PolarHBondContact O-N 3.12Å; I57-S61 PolarHBondContact O-OG 3.37Å; H58-S61 PolarHBondContact O-N 2.94Å; K59-S61 PolarHBondContact O-N 3.35Å; S61-N63 VanDerWaalsContact C-N 3.34Å
62G91.9Very high95.9Very high50 Ų5039.7 Ų39.752%0.51523%0.226SC..THydrogen-bonded Turntrans83.71.3-178.300000115.3H58 K59 I64H58-G62 PolarHBondContact O-N 3.37Å; K59-G62 PolarHBondContact O-N 2.82Å; G62-I64 PolarHBondContact O-N 2.91Å
63N95.5Very high96Very high80 Ų8042.3 Ų42.343%0.42824%0.243SC..  trans-8368.4177.4-67.5-10.4000110H58 S61 E66 A67H58-N63 HydrophobicContact CB-CB 4.33Å; H58-N63 PolarHBondContact O-N 2.96Å; S61-N63 VanDerWaalsContact C-N 3.34Å; N63-E66 HydrophobicContact CB-CB 4.42Å; N63-E66 WeakPolarHBondContact CB-OE2 3.25Å; N63-E66 PolarHBondContact O-N 3.39Å; N63-A67 PolarHBondContact O-N 3.02Å
64I97.9Very high96.2Very high11 Ų1140.7 Ų40.76%0.05623%0.234CC..Hα-helixtrans-63.9-41-172.1-49.2-56.3000113.4K59 G62 E66 A67 I68 C91 I94 V95K59-I64 HydrophobicContact CG-CD1 4.48Å; G62-I64 PolarHBondContact O-N 2.91Å; I64-E66 PolarHBondContact O-N 3.44Å; I64-A67 WeakPolarHBondContact O-CB 3.48Å; I64-A67 PolarHBondContact O-N 2.82Å; I64-I68 HydrophobicContact CG2-CD1 3.91Å; I64-I68 HydrophobicContact CG2-CG1 4.27Å; I64-I68 WeakPolarHBondContact O-CG1 3.3Å; I64-I68 PolarHBondContact O-N 3.4Å; I64-C91 HydrophobicContact CG2-CB 3.93Å; I64-I94 HydrophobicContact CD1-CD1 4.16Å; I64-I94 HydrophobicContact CD1-CG2 4.41Å; I64-I94 HydrophobicContact CG1-CG2 4.08Å; I64-V95 HydrophobicContact CB-CG1 4.09Å; I64-V95 HydrophobicContact CG2-CG1 3.62Å
65P97.9Very high96.3Very high66 Ų6641 Ų4143%0.42924%0.236SC..Hα-helixtrans-58.3-44.5177.1-25.936.4000113.2I68 A69 V500P65-I68 PolarHBondContact O-N 2.85Å; P65-A69 PolarHBondContact O-N 3.39Å; P65-V500 HydrophobicContact CG-CG1 4.26Å
66E97Very high96.3Very high96 Ų9649.8 Ų49.845%0.44927%0.274SS..Hα-helixtrans-65.1-42.1176.9-68.172.2-163.900111H58 N63 I64 I68 A69 S70H58-E66 HydrophobicContact CB-CB 4.23Å; N63-E66 HydrophobicContact CB-CB 4.42Å; N63-E66 WeakPolarHBondContact CB-OE2 3.25Å; N63-E66 PolarHBondContact O-N 3.39Å; I64-E66 PolarHBondContact O-N 3.44Å; E66-I68 VanDerWaalsContact C-N 3.35Å; E66-I68 PolarHBondContact O-N 2.96Å; E66-A69 PolarHBondContact O-N 3.01Å; E66-S70 PolarHBondContact O-N 2.84Å; E66-S70 PolarHBondContact O-OG 2.81Å
67A98.2Very high96.5Very high0 Ų052.5 Ų52.50%029%0.286CS..Hα-helixtrans-58.9-45.5174.700000111.8A55 H58 K59 N63 I64 A69 S70 Y71A55-A67 WeakPolarHBondContact O-CB 3.49Å; H58-A67 HydrophobicContact CB-CB 3.87Å; K59-A67 HydrophobicContact CB-CB 3.91Å; N63-A67 PolarHBondContact O-N 3.02Å; I64-A67 WeakPolarHBondContact O-CB 3.48Å; I64-A67 PolarHBondContact O-N 2.82Å; A67-A69 PolarHBondContact O-N 2.77Å; A67-S70 PolarHBondContact O-N 3.21Å; A67-Y71 HydrophobicContact CB-CE2 4.34Å; A67-Y71 WeakPolarHBondContact O-CD2 3.38Å; A67-Y71 PolarHBondContact O-N 3.32Å
68I98.5Very high96.7Very high16 Ų1656.3 Ų56.38%0.08230%0.303CS..Hα-helixtrans-59.4-46.4176.9-71.1166.6000110.6I64 P65 E66 S70 Y71 R72 L88 C91 L92 V95I64-I68 HydrophobicContact CG2-CD1 3.91Å; I64-I68 HydrophobicContact CG2-CG1 4.27Å; I64-I68 WeakPolarHBondContact O-CG1 3.3Å; I64-I68 PolarHBondContact O-N 3.4Å; P65-I68 PolarHBondContact O-N 2.85Å; E66-I68 VanDerWaalsContact C-N 3.35Å; E66-I68 PolarHBondContact O-N 2.96Å; I68-S70 PolarHBondContact O-N 3.47Å; I68-Y71 PolarHBondContact O-N 3.34Å; I68-R72 HydrophobicContact CG2-CG 4.44Å; I68-R72 WeakPolarHBondContact O-CB 3.28Å; I68-R72 VanDerWaalsContact O-CG 3.31Å; I68-R72 WeakPolarHBondContact O-CG 3.41Å; I68-R72 PolarHBondContact O-N 2.93Å; I68-L88 HydrophobicContact CB-CD1 4.2Å; I68-L88 HydrophobicContact CG1-CD1 4.08Å; I68-L88 HydrophobicContact CG2-CD1 3.93Å; I68-C91 HydrophobicContact CD1-CB 4.27Å; I68-C91 HydrophobicContact CG1-CB 3.66Å; I68-L92 HydrophobicContact CD1-CD2 3.95Å; I68-L92 HydrophobicContact CG1-CD2 4.26Å; I68-L92 HydrophobicContact CG2-CD2 4.27Å; I68-V95 HydrophobicContact CD1-CG2 4.1Å
69A98.1Very high96.8Very high53 Ų5359.2 Ų59.244%0.43833%0.325SS..Hα-helixtrans-61.7-44.2179.300000112.4P65 E66 A67 R72 T73P65-A69 PolarHBondContact O-N 3.39Å; E66-A69 PolarHBondContact O-N 3.01Å; A67-A69 PolarHBondContact O-N 2.77Å; A69-R72 PolarHBondContact O-N 3.18Å; A69-T73 PolarHBondContact O-N 3.13Å; A69-T73 PolarHBondContact O-OG1 2.72Å
70S98Very high96.8Very high17 Ų1763.7 Ų63.712%0.11935%0.351CS..Hα-helixtrans-67.3-42.2178-66.70000112.3A55 E66 A67 I68 T73 A74A55-S70 VanDerWaalsContact CB-CB 3.49Å; E66-S70 PolarHBondContact O-N 2.84Å; E66-S70 PolarHBondContact O-OG 2.81Å; A67-S70 PolarHBondContact O-N 3.21Å; I68-S70 PolarHBondContact O-N 3.47Å; S70-T73 WeakPolarHBondContact O-CB 2.98Å; S70-T73 PolarHBondContact O-N 3.25Å; S70-A74 PolarHBondContact O-N 3.48Å
71Y98.6Very high97.2Very high0 Ų060 Ų600%033%0.331CS..Hα-helixtrans-65.1-39.5174.5-74.7-56.1000112.8A55 S56 A67 I68 T73 A74 L75 A84 N87 L88A55-Y71 HydrophobicContact CB-CD1 3.53Å; A55-Y71 HydrophobicContact CB-CD2 3.62Å; A55-Y71 HydrophobicContact CB-CE1 3.48Å; A55-Y71 VanDerWaalsContact CB-CE1 3.48Å; A55-Y71 HydrophobicContact CB-CE2 3.55Å; A55-Y71 HydrophobicContact CB-CG 3.58Å; A55-Y71 VanDerWaalsContact CB-CZ 3.46Å; S56-Y71 VanDerWaalsContact CA-OH 3.29Å; S56-Y71 WeakPolarHBondContact CA-OH 3.46Å; S56-Y71 PolarHBondContact N-OH 3.11Å; S56-Y71 PolarHBondContact OG-OH 2.71Å; A67-Y71 HydrophobicContact CB-CE2 4.34Å; A67-Y71 WeakPolarHBondContact O-CD2 3.38Å; A67-Y71 PolarHBondContact O-N 3.32Å; I68-Y71 PolarHBondContact O-N 3.34Å; Y71-T73 VanDerWaalsContact C-N 3.27Å; Y71-T73 PolarHBondContact O-N 2.87Å; Y71-A74 WeakPolarHBondContact O-CB 3.49Å; Y71-A74 PolarHBondContact O-N 3Å; Y71-L75 WeakPolarHBondContact O-CG 3.5Å; Y71-L75 PolarHBondContact O-N 3.08Å; Y71-A84 HydrophobicContact CD1-CB 4.06Å; Y71-N87 HydrophobicContact CD1-CB 4.49Å; Y71-N87 HydrophobicContact CE1-CB 3.72Å; Y71-N87 HydrophobicContact CE2-CB 3.86Å; Y71-N87 WeakPolarHBondContact OH-CB 3.44Å; Y71-L88 HydrophobicContact CD2-CB 4.32Å; Y71-L88 HydrophobicContact CG-CB 4.18Å
72R98.4Very high97.5Very high132 Ų13258.4 Ų58.450%0.49832%0.318SS..Hα-helixtrans-60.4-39.6173.7-76.7177.9177170.82.2111.2I68 A69 L75 K76 L88 D97I68-R72 HydrophobicContact CG2-CG 4.44Å; I68-R72 WeakPolarHBondContact O-CB 3.28Å; I68-R72 VanDerWaalsContact O-CG 3.31Å; I68-R72 WeakPolarHBondContact O-CG 3.41Å; I68-R72 PolarHBondContact O-N 2.93Å; A69-R72 PolarHBondContact O-N 3.18Å; R72-L75 PolarHBondContact O-N 3.19Å; R72-K76 WeakPolarHBondContact O-CB 3.41Å; R72-K76 PolarHBondContact O-N 3.34Å; R72-L88 HydrophobicContact CG-CD1 4.5Å; R72-L88 HydrophobicContact CG-CD2 4.12Å; R72-D97 IonicContact NH2-OD2 2.96Å
73T98.2Very high97.7Very high59 Ų5959.8 Ų59.836%0.36231%0.314SS..Hα-helixtrans-63.4-46.6173.9-56.80000111.4A69 S70 Y71 L75 K76 L77A69-T73 PolarHBondContact O-N 3.13Å; A69-T73 PolarHBondContact O-OG1 2.72Å; S70-T73 WeakPolarHBondContact O-CB 2.98Å; S70-T73 PolarHBondContact O-N 3.25Å; Y71-T73 VanDerWaalsContact C-N 3.27Å; Y71-T73 PolarHBondContact O-N 2.87Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.22Å; T73-K76 PolarHBondContact O-N 3.38Å; T73-L77 HydrophobicContact CG2-CD1 4.15Å; T73-L77 WeakPolarHBondContact O-CG 3.39Å; T73-L77 PolarHBondContact O-N 3.43Å; T73-L77 VanDerWaalsContact O-N 3.1Å
74A98.3Very high97.8Very high0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-57.4-45.1176.400000112A48 H51 S70 Y71 L77 K78 F81 A84A48-A74 WeakPolarHBondContact O-CB 3.41Å; H51-A74 HydrophobicContact CB-CB 3.91Å; S70-A74 PolarHBondContact O-N 3.48Å; Y71-A74 WeakPolarHBondContact O-CB 3.49Å; Y71-A74 PolarHBondContact O-N 3Å; A74-L77 PolarHBondContact O-N 2.9Å; A74-K78 PolarHBondContact O-N 2.67Å; A74-F81 HydrophobicContact CB-CD1 4.4Å; A74-F81 HydrophobicContact CB-CE1 4.39Å; A74-A84 HydrophobicContact CB-CB 4.26Å
75L98.2Very high97.8Very high25 Ų2557.2 Ų57.213%0.13130%0.298CS..Hα-helixtrans-71.1-29179.1-72.3165.6000113.4Y71 R72 T73 L77 K78 P79 F81 A84 Y85 L88Y71-L75 WeakPolarHBondContact O-CG 3.5Å; Y71-L75 PolarHBondContact O-N 3.08Å; R72-L75 PolarHBondContact O-N 3.19Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.22Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-K78 CarbonylContact O-C 3.54Å; L75-K78 VanDerWaalsContact O-C 3.26Å; L75-P79 VanDerWaalsContact O-CA 3.23Å; L75-P79 WeakPolarHBondContact O-CA 3.49Å; L75-F81 HydrophobicContact CD2-CB 4.06Å; L75-A84 HydrophobicContact CD2-CB 4.12Å; L75-A84 HydrophobicContact CG-CB 4.08Å; L75-Y85 HydrophobicContact CD1-CD2 4.16Å; L75-Y85 HydrophobicContact CD2-CD2 4.42Å; L75-L88 HydrophobicContact CD1-CB 4.5Å; L75-L88 HydrophobicContact CD1-CD2 3.56Å
76K98.1Very high97.9Very high183 Ų18354.3 Ų54.380%0.79628%0.279SS*.Hα-helixtrans-67-38.6172.3-174.9179179.3-179.30111.4R72 T73R72-K76 WeakPolarHBondContact O-CB 3.41Å; R72-K76 PolarHBondContact O-N 3.34Å; T73-K76 PolarHBondContact O-N 3.38Å
77L97.8Very high97.9Very high75 Ų7551.4 Ų51.439%0.39327%0.266SS..Hα-helixtrans-75.9-37.6178.3-66.9168.8000112.1A46 A48 T73 A74 L75A46-L77 HydrophobicContact CB-CD2 4.15Å; A48-L77 HydrophobicContact CB-CB 3.94Å; T73-L77 HydrophobicContact CG2-CD1 4.15Å; T73-L77 WeakPolarHBondContact O-CG 3.39Å; T73-L77 PolarHBondContact O-N 3.43Å; T73-L77 VanDerWaalsContact O-N 3.1Å; A74-L77 PolarHBondContact O-N 2.9Å; L75-L77 VanDerWaalsContact C-N 3.34Å
78K97.8Very high97.9Very high86 Ų8652.1 Ų52.137%0.37427%0.27SS..  trans-135.892.6179.7-173.6-178.8175.4-176.50109.7A48 D49 A74 L75 D80 F81A48-K78 HydrophobicContact CB-CB 3.66Å; A48-K78 HydrophobicContact CB-CD 4.35Å; D49-K78 IonicContact OD1-NZ 2.75Å; A74-K78 PolarHBondContact O-N 2.67Å; L75-K78 CarbonylContact O-C 3.54Å; L75-K78 VanDerWaalsContact O-C 3.26Å; K78-D80 VanDerWaalsContact C-N 3.35Å; K78-D80 WeakPolarHBondContact CE-O 3.5Å; K78-D80 PolarHBondContact O-N 3.04Å; K78-F81 HydrophobicContact CB-CB 4.41Å; K78-F81 HydrophobicContact CB-CD1 4.3Å; K78-F81 HydrophobicContact CD-CB 4.17Å; K78-F81 HydrophobicContact CD-CD1 3.97Å; K78-F81 HydrophobicContact CD-CG 4.04Å; K78-F81 HydrophobicContact CG-CB 4.12Å; K78-F81 HydrophobicContact CG-CD1 4.47Å; K78-F81 HydrophobicContact CG-CG 4.49Å; K78-F81 VanDerWaalsContact O-CB 3.31Å; K78-F81 WeakPolarHBondContact O-CB 3.4Å
79P97.1Very high97.9Very high98 Ų9851.4 Ų51.464%0.63627%0.267SS*.SBendtrans-63.8-34.6-176.2-27.136.4000114.8L75 F81L75-P79 VanDerWaalsContact O-CA 3.23Å; L75-P79 WeakPolarHBondContact O-CA 3.49Å; P79-F81 PolarHBondContact O-N 3.13Å
80D96.5Very high98Very high133 Ų13349.7 Ų49.771%0.71125%0.25SC*.SBendtrans-89.981172.1-174.723000110.1K78K78-D80 VanDerWaalsContact C-N 3.35Å; K78-D80 WeakPolarHBondContact CE-O 3.5Å; K78-D80 PolarHBondContact O-N 3.04Å
81F97.7Very high98Very high15 Ų1548.9 Ų48.97%0.06624%0.244CC..  trans-139.685.9-179.6-162.8176.7000111.4A48 D49 A74 L75 K78 P79 D83 A84 Y85A48-F81 HydrophobicContact CB-CD1 4.41Å; A48-F81 HydrophobicContact CB-CE1 4.27Å; D49-F81 HydrophobicContact CB-CZ 4.47Å; D49-F81 WeakPolarHBondContact OD1-CZ 3.49Å; A74-F81 HydrophobicContact CB-CD1 4.4Å; A74-F81 HydrophobicContact CB-CE1 4.39Å; L75-F81 HydrophobicContact CD2-CB 4.06Å; K78-F81 HydrophobicContact CB-CB 4.41Å; K78-F81 HydrophobicContact CB-CD1 4.3Å; K78-F81 HydrophobicContact CD-CB 4.17Å; K78-F81 HydrophobicContact CD-CD1 3.97Å; K78-F81 HydrophobicContact CD-CG 4.04Å; K78-F81 HydrophobicContact CG-CB 4.12Å; K78-F81 HydrophobicContact CG-CD1 4.47Å; K78-F81 HydrophobicContact CG-CG 4.49Å; K78-F81 VanDerWaalsContact O-CB 3.31Å; K78-F81 WeakPolarHBondContact O-CB 3.4Å; P79-F81 PolarHBondContact O-N 3.13Å; F81-D83 HydrophobicContact CD2-CB 4.4Å; F81-D83 HydrophobicContact CE2-CB 4.05Å; F81-D83 PolarHBondContact O-N 2.8Å; F81-A84 HydrophobicContact CB-CB 4.2Å; F81-A84 HydrophobicContact CD1-CB 3.61Å; F81-A84 HydrophobicContact CD2-CB 4.26Å; F81-A84 HydrophobicContact CE1-CB 4.02Å; F81-A84 HydrophobicContact CG-CB 3.75Å; F81-A84 HydrophobicContact CZ-CB 4.49Å; F81-A84 PolarHBondContact O-N 3.06Å; F81-Y85 PolarHBondContact O-N 2.71Å
82P97.8Very high98Very high31 Ų3149.4 Ų49.420%0.20125%0.247CC..Hα-helixtrans-51.7-48.6-176.9-33.439.1000115A84 Y85 C86 I111 S123P82-A84 PolarHBondContact O-N 3.49Å; P82-Y85 PolarHBondContact O-N 2.97Å; P82-C86 WeakPolarHBondContact O-CB 3.44Å; P82-C86 PolarHBondContact O-N 3.32Å; P82-C86 PolarHBondContact O-SG 2.75Å; P82-I111 HydrophobicContact CB-CG2 3.79Å; P82-I111 HydrophobicContact CG-CG2 4.39Å; P82-S123 WeakPolarHBondContact CB-OG 3.47Å
83D96.2Very high98Very high79 Ų7943.1 Ų43.142%0.42222%0.223SC..Hα-helixtrans-62-46.8-177.4-63.9-39000112.3F81 Y85 N87 S123F81-D83 HydrophobicContact CD2-CB 4.4Å; F81-D83 HydrophobicContact CE2-CB 4.05Å; F81-D83 PolarHBondContact O-N 2.8Å; D83-Y85 VanDerWaalsContact C-N 3.32Å; D83-Y85 PolarHBondContact O-N 3.04Å; D83-N87 WeakPolarHBondContact O-CB 3.35Å; D83-N87 PolarHBondContact O-N 3.38Å; D83-N87 PolarHBondContact O-ND2 3.49Å; D83-S123 PolarHBondContact N-OG 2.86Å; D83-S123 VanDerWaalsContact OD1-CB 3.29Å; D83-S123 WeakPolarHBondContact OD1-CB 3.43Å; D83-S123 PolarHBondContact OD1-OG 2.84Å
84A97.8Very high98Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-63-40.4176.500000111.4Y71 A74 L75 F81 P82 L88Y71-A84 HydrophobicContact CD1-CB 4.06Å; A74-A84 HydrophobicContact CB-CB 4.26Å; L75-A84 HydrophobicContact CD2-CB 4.12Å; L75-A84 HydrophobicContact CG-CB 4.08Å; F81-A84 HydrophobicContact CB-CB 4.2Å; F81-A84 HydrophobicContact CD1-CB 3.61Å; F81-A84 HydrophobicContact CD2-CB 4.26Å; F81-A84 HydrophobicContact CE1-CB 4.02Å; F81-A84 HydrophobicContact CG-CB 3.75Å; F81-A84 HydrophobicContact CZ-CB 4.49Å; F81-A84 PolarHBondContact O-N 3.06Å; P82-A84 PolarHBondContact O-N 3.49Å; A84-L88 WeakPolarHBondContact O-CB 3.23Å; A84-L88 PolarHBondContact O-N 3.14Å
85Y98.7Very high98Very high38 Ų3842.1 Ų42.115%0.14922%0.215CC..Hα-helixtrans-66.6-49179.8-170.1-90.8000112.5L75 F81 P82 D83 L88 A89 R104 K107 L108 I111L75-Y85 HydrophobicContact CD1-CD2 4.16Å; L75-Y85 HydrophobicContact CD2-CD2 4.42Å; F81-Y85 PolarHBondContact O-N 2.71Å; P82-Y85 PolarHBondContact O-N 2.97Å; D83-Y85 VanDerWaalsContact C-N 3.32Å; D83-Y85 PolarHBondContact O-N 3.04Å; Y85-L88 PolarHBondContact O-N 2.92Å; Y85-A89 WeakPolarHBondContact O-CB 3.41Å; Y85-A89 PolarHBondContact O-N 3.35Å; Y85-R104 HydrophobicContact CE1-CG 4.42Å; Y85-R104 WeakPolarHBondContact OH-CA 3.18Å; Y85-R104 WeakPolarHBondContact OH-CG 3.38Å; Y85-K107 HydrophobicContact CD1-CG 4.34Å; Y85-K107 HydrophobicContact CD2-CD 4.37Å; Y85-K107 HydrophobicContact CE1-CB 3.99Å; Y85-K107 HydrophobicContact CE1-CD 3.92Å; Y85-K107 HydrophobicContact CE1-CG 3.69Å; Y85-K107 HydrophobicContact CE2-CD 3.74Å; Y85-K107 HydrophobicContact CE2-CG 4.44Å; Y85-K107 VanDerWaalsContact CZ-CD 3.49Å; Y85-L108 HydrophobicContact CD1-CD2 4.13Å; Y85-L108 HydrophobicContact CE1-CD2 4.15Å; Y85-L108 HydrophobicContact CE1-CG 4.27Å; Y85-I111 HydrophobicContact CD1-CD1 3.44Å; Y85-I111 VanDerWaalsContact CD1-CD1 3.44Å; Y85-I111 HydrophobicContact CE1-CD1 4.11Å; Y85-I111 HydrophobicContact CG-CD1 4.01Å
86C98.5Very high98.1Very high4 Ų440.9 Ų40.93%0.02721%0.209CC..Hα-helixtrans-65-40.7-179.8-69.50000112.1P82 A89 H90 L108 V124P82-C86 WeakPolarHBondContact O-CB 3.44Å; P82-C86 PolarHBondContact O-N 3.32Å; P82-C86 PolarHBondContact O-SG 2.75Å; C86-A89 PolarHBondContact O-N 2.89Å; C86-H90 PolarHBondContact O-N 3.29Å; C86-H90 VanDerWaalsContact O-N 3.09Å; C86-L108 HydrophobicContact CB-CD2 4.23Å; C86-L108 VanDerWaalsContact SG-CD2 3.59Å; C86-V124 HydrophobicContact CB-CG2 4.35Å
87N98.2Very high98.1Very high35 Ų3533.3 Ų33.319%0.18718%0.177CC..Hα-helixtrans-69.5-38.2176.5-74.7-45.5000112.5Y71 D83 H90 C91Y71-N87 HydrophobicContact CD1-CB 4.49Å; Y71-N87 HydrophobicContact CE1-CB 3.72Å; Y71-N87 HydrophobicContact CE2-CB 3.86Å; Y71-N87 WeakPolarHBondContact OH-CB 3.44Å; D83-N87 WeakPolarHBondContact O-CB 3.35Å; D83-N87 PolarHBondContact O-N 3.38Å; D83-N87 PolarHBondContact O-ND2 3.49Å; N87-H90 PolarHBondContact O-N 2.78Å; N87-C91 PolarHBondContact O-N 3.29Å; N87-C91 PolarHBondContact O-SG 3.43Å
88L98.5Very high98.1Very high15 Ų1530.3 Ų30.38%0.07916%0.161CC..Hα-helixtrans-59.9-47.1170.7175.359.1000111I68 Y71 R72 L75 A84 Y85 H90 C91 L92I68-L88 HydrophobicContact CB-CD1 4.2Å; I68-L88 HydrophobicContact CG1-CD1 4.08Å; I68-L88 HydrophobicContact CG2-CD1 3.93Å; Y71-L88 HydrophobicContact CD2-CB 4.32Å; Y71-L88 HydrophobicContact CG-CB 4.18Å; R72-L88 HydrophobicContact CG-CD1 4.5Å; R72-L88 HydrophobicContact CG-CD2 4.12Å; L75-L88 HydrophobicContact CD1-CB 4.5Å; L75-L88 HydrophobicContact CD1-CD2 3.56Å; A84-L88 WeakPolarHBondContact O-CB 3.23Å; A84-L88 PolarHBondContact O-N 3.14Å; Y85-L88 PolarHBondContact O-N 2.92Å; L88-H90 PolarHBondContact O-N 2.77Å; L88-C91 WeakPolarHBondContact O-CB 3.23Å; L88-C91 PolarHBondContact O-N 3.06Å; L88-L92 HydrophobicContact CD1-CD1 4.04Å; L88-L92 HydrophobicContact CD1-CD2 4.26Å; L88-L92 HydrophobicContact CD1-CG 3.93Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 3.26Å
89A98.6Very high98.1Very high2 Ų229.7 Ų29.72%0.01716%0.164CC..Hα-helixtrans-57.1-39.7179.400000111.7Y85 C86 L92 Q93 R104 L108Y85-A89 WeakPolarHBondContact O-CB 3.41Å; Y85-A89 PolarHBondContact O-N 3.35Å; C86-A89 PolarHBondContact O-N 2.89Å; A89-L92 PolarHBondContact O-N 3Å; A89-Q93 PolarHBondContact O-N 3.16Å; A89-R104 HydrophobicContact CB-CG 4.15Å; A89-L108 HydrophobicContact CB-CD1 3.95Å; A89-L108 HydrophobicContact CB-CD2 3.97Å; A89-L108 HydrophobicContact CB-CG 4.31Å
90H98.3Very high98.2Very high16 Ų1630.2 Ų30.27%0.07416%0.162CC..Hα-helixtrans-67.7-41.2173.8-171.3-109.5000112.8C86 N87 L88 L92 Q93 I94 H128C86-H90 PolarHBondContact O-N 3.29Å; C86-H90 VanDerWaalsContact O-N 3.09Å; N87-H90 PolarHBondContact O-N 2.78Å; L88-H90 PolarHBondContact O-N 2.77Å; H90-L92 VanDerWaalsContact C-N 3.29Å; H90-L92 PolarHBondContact O-N 2.87Å; H90-Q93 WeakPolarHBondContact O-CB 3.23Å; H90-Q93 PolarHBondContact O-N 3.11Å; H90-I94 WeakPolarHBondContact O-CG1 3.23Å; H90-I94 PolarHBondContact O-N 3.32Å; H90-H128 AromaticContact CD2-CD2 3.69Å; H90-H128 AromaticContact CD2-CE1 3.92Å; H90-H128 AromaticContact CD2-CG 3.59Å; H90-H128 AromaticContact CD2-ND1 3.72Å; H90-H128 AromaticContact CD2-NE2 3.95Å; H90-H128 AromaticContact CE1-CD2 3.8Å; H90-H128 AromaticContact CE1-CE1 3.57Å; H90-H128 AromaticContact CE1-NE2 3.35Å; H90-H128 PolarHBondContact CE1-NE2 3.16Å; H90-H128 AromaticContact CG-CE1 3.85Å; H90-H128 AromaticContact CG-ND1 3.77Å; H90-H128 AromaticContact ND1-CE1 3.65Å; H90-H128 AromaticContact ND1-NE2 3.92Å; H90-H128 AromaticContact NE2-CD2 3.3Å; H90-H128 PolarHBondContact NE2-CD2 3.39Å; H90-H128 VanDerWaalsContact NE2-CD2 3.3Å; H90-H128 AromaticContact NE2-CE1 3.75Å; H90-H128 AromaticContact NE2-CG 3.72Å; H90-H128 AromaticContact NE2-ND1 3.96Å; H90-H128 AromaticContact NE2-NE2 3.37Å; H90-H128 PolarHBondContact NE2-NE2 3.38Å
91C98.5Very high98.3Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-58.6-41.8173.3-72.50000112.2I64 I68 N87 L88 Q93 I94 V95I64-C91 HydrophobicContact CG2-CB 3.93Å; I68-C91 HydrophobicContact CD1-CB 4.27Å; I68-C91 HydrophobicContact CG1-CB 3.66Å; N87-C91 PolarHBondContact O-N 3.29Å; N87-C91 PolarHBondContact O-SG 3.43Å; L88-C91 WeakPolarHBondContact O-CB 3.23Å; L88-C91 PolarHBondContact O-N 3.06Å; C91-Q93 VanDerWaalsContact C-N 3.35Å; C91-I94 WeakPolarHBondContact O-CB 3.46Å; C91-I94 PolarHBondContact O-N 3.27Å; C91-V95 PolarHBondContact O-N 2.95Å
92L98.7Very high98.3Very high11 Ų1130 Ų306%0.05816%0.159CC..Hα-helixtrans-67.2-37.4177-61.9170.9000111.2I68 L88 A89 H90 V95 C96 D97 R104I68-L92 HydrophobicContact CD1-CD2 3.95Å; I68-L92 HydrophobicContact CG1-CD2 4.26Å; I68-L92 HydrophobicContact CG2-CD2 4.27Å; L88-L92 HydrophobicContact CD1-CD1 4.04Å; L88-L92 HydrophobicContact CD1-CD2 4.26Å; L88-L92 HydrophobicContact CD1-CG 3.93Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 3.26Å; A89-L92 PolarHBondContact O-N 3Å; H90-L92 VanDerWaalsContact C-N 3.29Å; H90-L92 PolarHBondContact O-N 2.87Å; L92-V95 PolarHBondContact O-N 2.89Å; L92-C96 PolarHBondContact O-N 3.3Å; L92-C96 VanDerWaalsContact O-N 3.09Å; L92-D97 HydrophobicContact CB-CB 4.18Å; L92-D97 HydrophobicContact CD2-CB 3.78Å; L92-D97 WeakPolarHBondContact CD2-OD2 3.42Å; L92-D97 PolarHBondContact O-N 3.47Å; L92-R104 VanDerWaalsContact CD1-CZ 3.42Å
93Q98.6Very high98.3Very high1 Ų134.9 Ų34.91%0.00518%0.179CC..Hα-helixtrans-61-44.1172-170.764.425.800111.7A89 H90 C91 V95 C96 L131 Y470 I472A89-Q93 PolarHBondContact O-N 3.16Å; H90-Q93 WeakPolarHBondContact O-CB 3.23Å; H90-Q93 PolarHBondContact O-N 3.11Å; C91-Q93 VanDerWaalsContact C-N 3.35Å; Q93-V95 PolarHBondContact O-N 2.89Å; Q93-C96 PolarHBondContact O-N 3.26Å; Q93-C96 VanDerWaalsContact O-N 3.16Å; Q93-L131 HydrophobicContact CG-CD1 4.29Å; Q93-Y470 PolarHBondContact NE2-O 3.35Å; Q93-Y470 WeakPolarHBondContact O-CA 3.49Å; Q93-I472 PolarHBondContact NE2-O 3.11Å
94I98.5Very high98.4Very high29 Ų2931.8 Ų31.815%0.14916%0.162CC..Hα-helixtrans-54.9-39.2179.1-72.1166.6000112.2I64 H90 C91 P498I64-I94 HydrophobicContact CD1-CD1 4.16Å; I64-I94 HydrophobicContact CD1-CG2 4.41Å; I64-I94 HydrophobicContact CG1-CG2 4.08Å; H90-I94 WeakPolarHBondContact O-CG1 3.23Å; H90-I94 PolarHBondContact O-N 3.32Å; C91-I94 WeakPolarHBondContact O-CB 3.46Å; C91-I94 PolarHBondContact O-N 3.27Å; I94-P498 HydrophobicContact CG2-CG 3.89Å; I94-P498 WeakPolarHBondContact O-CD 3.33Å
95V98.6Very high98.4Very high8 Ų832.2 Ų32.25%0.04816%0.164CC..THydrogen-bonded Turntrans-101.47.9-175.8-54.30000113.2I64 I68 C91 L92 Q93 D97 P498 V500 G501 N504I64-V95 HydrophobicContact CB-CG1 4.09Å; I64-V95 HydrophobicContact CG2-CG1 3.62Å; I68-V95 HydrophobicContact CD1-CG2 4.1Å; C91-V95 PolarHBondContact O-N 2.95Å; L92-V95 PolarHBondContact O-N 2.89Å; Q93-V95 PolarHBondContact O-N 2.89Å; V95-D97 HydrophobicContact CG2-CB 4Å; V95-D97 PolarHBondContact O-N 3.49Å; V95-P498 HydrophobicContact CG1-CG 4.36Å; V95-V500 HydrophobicContact CB-CG2 4.45Å; V95-V500 HydrophobicContact CG1-CG2 3.62Å; V95-G501 WeakPolarHBondContact O-CA 3.35Å; V95-N504 WeakPolarHBondContact O-CB 3.32Å; V95-N504 PolarHBondContact O-ND2 2.92Å
96C98.7Very high98.4Very high0 Ų037.8 Ų37.80%019%0.189CC..THydrogen-bonded Turntrans54.735.9-175.2-55.40000113.8L92 Q93 W98 L469 I505 Y508L92-C96 PolarHBondContact O-N 3.3Å; L92-C96 VanDerWaalsContact O-N 3.09Å; Q93-C96 PolarHBondContact O-N 3.26Å; Q93-C96 VanDerWaalsContact O-N 3.16Å; C96-W98 HydrophobicContact CB-CH2 4.41Å; C96-W98 HydrophobicContact CB-CZ2 3.71Å; C96-W98 PolarHBondContact O-N 3.1Å; C96-L469 PolarHBondContact SG-O 2.97Å; C96-I505 HydrophobicContact CB-CD1 3.69Å; C96-I505 HydrophobicContact CB-CG1 4.05Å; C96-Y508 VanDerWaalsContact O-CE2 3.28Å; C96-Y508 WeakPolarHBondContact O-CE2 3.34Å
97D98.7Very high98.4Very high23 Ų2342 Ų4212%0.12321%0.207CC..  trans-80.9102.7166.5-178.4-19.4000108.4R72 L92 V95 T99 R104R72-D97 IonicContact NH2-OD2 2.96Å; L92-D97 HydrophobicContact CB-CB 4.18Å; L92-D97 HydrophobicContact CD2-CB 3.78Å; L92-D97 WeakPolarHBondContact CD2-OD2 3.42Å; L92-D97 PolarHBondContact O-N 3.47Å; V95-D97 HydrophobicContact CG2-CB 4Å; V95-D97 PolarHBondContact O-N 3.49Å; D97-T99 VanDerWaalsContact OD1-CB 3.24Å; D97-T99 WeakPolarHBondContact OD1-CB 3.5Å; D97-T99 PolarHBondContact OD1-N 3.26Å; D97-T99 PolarHBondContact OD1-OG1 2.99Å; D97-R104 PolarHBondContact O-NH1 2.69Å; D97-R104 PolarHBondContact O-NH2 3.26Å; D97-R104 IonicContact OD1-NH2 3.6Å
98W98.7Very high98.4Very high12 Ų1240.3 Ų40.35%0.04520%0.198CC..  trans-102.321.7-177.7-53.1-40.8000113C96 D100 Y101 I472 P474 L477 I505 Y508C96-W98 HydrophobicContact CB-CH2 4.41Å; C96-W98 HydrophobicContact CB-CZ2 3.71Å; C96-W98 PolarHBondContact O-N 3.1Å; W98-D100 PolarHBondContact O-N 3.09Å; W98-Y101 HydrophobicContact CB-CD2 4.3Å; W98-Y101 AromaticContact CD1-CD2 3.88Å; W98-Y101 HydrophobicContact CG-CD2 4.34Å; W98-Y101 WeakPolarHBondContact O-CB 3.32Å; W98-Y101 PolarHBondContact O-N 2.8Å; W98-I472 HydrophobicContact CH2-CG2 3.92Å; W98-I472 HydrophobicContact CZ2-CB 4.33Å; W98-I472 HydrophobicContact CZ2-CG2 3.87Å; W98-P474 HydrophobicContact CB-CG 3.86Å; W98-P474 HydrophobicContact CD2-CB 4.49Å; W98-P474 HydrophobicContact CD2-CG 3.69Å; W98-P474 HydrophobicContact CE3-CB 4.3Å; W98-P474 HydrophobicContact CE3-CG 3.96Å; W98-P474 HydrophobicContact CG-CG 3.66Å; W98-L477 HydrophobicContact CH2-CB 3.81Å; W98-L477 HydrophobicContact CH2-CD2 3.8Å; W98-L477 HydrophobicContact CH2-CG 4.4Å; W98-L477 HydrophobicContact CZ3-CB 4.05Å; W98-L477 HydrophobicContact CZ3-CD2 3.58Å; W98-L477 HydrophobicContact CZ3-CG 4.45Å; W98-I505 HydrophobicContact CH2-CD1 3.5Å; W98-I505 HydrophobicContact CZ2-CD1 3.9Å; W98-I505 HydrophobicContact CZ3-CD1 4.33Å; W98-Y508 WeakPolarHBondContact CA-OH 3.26Å; W98-Y508 HydrophobicContact CB-CE1 4.23Å; W98-Y508 HydrophobicContact CB-CE2 4.08Å; W98-Y508 HydrophobicContact CD2-CD2 4.1Å; W98-Y508 AromaticContact CD2-CE2 3.99Å; W98-Y508 HydrophobicContact CD2-CE2 3.99Å; W98-Y508 AromaticContact CE3-CD1 3.94Å; W98-Y508 HydrophobicContact CE3-CD1 3.94Å; W98-Y508 AromaticContact CE3-CD2 3.27Å; W98-Y508 HydrophobicContact CE3-CD2 3.27Å; W98-Y508 HydrophobicContact CE3-CE1 4.17Å; W98-Y508 AromaticContact CE3-CE2 3.57Å; W98-Y508 HydrophobicContact CE3-CE2 3.57Å; W98-Y508 AromaticContact CE3-CG 3.51Å; W98-Y508 HydrophobicContact CE3-CG 3.51Å; W98-Y508 HydrophobicContact CG-CE2 4.24Å; W98-Y508 HydrophobicContact CZ3-CD1 4.48Å; W98-Y508 AromaticContact CZ3-CD2 3.6Å; W98-Y508 HydrophobicContact CZ3-CD2 3.6Å; W98-Y508 HydrophobicContact CZ3-CE2 4.33Å; W98-Y508 AromaticContact CZ3-CG 3.73Å; W98-Y508 HydrophobicContact CZ3-CG 3.73Å; W98-Y508 PolarHBondContact N-OH 3.2Å
99T98.2Very high98.4Very high74 Ų7441.6 Ų41.645%0.45421%0.206SC..THydrogen-bonded Turntrans-58.3124.5172-49.20000109.6D97 Y101 R104 Y508D97-T99 VanDerWaalsContact OD1-CB 3.24Å; D97-T99 WeakPolarHBondContact OD1-CB 3.5Å; D97-T99 PolarHBondContact OD1-N 3.26Å; D97-T99 PolarHBondContact OD1-OG1 2.99Å; T99-Y101 PolarHBondContact O-N 2.88Å; T99-R104 PolarHBondContact O-NH2 2.77Å; T99-Y508 PolarHBondContact N-OH 3.17Å
100D97.4Very high98.4Very high108 Ų10845.2 Ų45.258%0.57823%0.231SC*.THydrogen-bonded Turntrans54.536.2-177.3-46.9-42.1000113.9W98 D102 E103 R104W98-D100 PolarHBondContact O-N 3.09Å; D100-D102 PolarHBondContact O-N 3.46Å; D100-E103 HydrophobicContact CB-CB 4.44Å; D100-E103 PolarHBondContact O-N 3.45Å; D100-R104 WeakPolarHBondContact O-CB 3.48Å; D100-R104 PolarHBondContact O-N 3.26Å
101Y98.5Very high98.5Very high28 Ų2845.5 Ų45.511%0.1123%0.233CC..Hα-helixtrans-53.2-49.6-174.2-176.3-96.4000113.4W98 T99 E103 R104 M105 P474W98-Y101 HydrophobicContact CB-CD2 4.3Å; W98-Y101 AromaticContact CD1-CD2 3.88Å; W98-Y101 HydrophobicContact CG-CD2 4.34Å; W98-Y101 WeakPolarHBondContact O-CB 3.32Å; W98-Y101 PolarHBondContact O-N 2.8Å; T99-Y101 PolarHBondContact O-N 2.88Å; Y101-E103 PolarHBondContact O-N 3.35Å; Y101-R104 WeakPolarHBondContact O-CB 3.42Å; Y101-R104 PolarHBondContact O-N 3Å; Y101-M105 HydrophobicContact CD1-CG 4.06Å; Y101-M105 HydrophobicContact CD2-CE 4.07Å; Y101-M105 HydrophobicContact CE1-CG 3.72Å; Y101-M105 HydrophobicContact CE1-SD 4.43Å; Y101-M105 HydrophobicContact CE2-CE 3.73Å; Y101-M105 HydrophobicContact CE2-CG 4.43Å; Y101-M105 HydrophobicContact CE2-SD 4.31Å; Y101-M105 WeakPolarHBondContact O-CG 3.42Å; Y101-M105 PolarHBondContact O-N 3.12Å; Y101-P474 HydrophobicContact CD1-CG 3.92Å; Y101-P474 HydrophobicContact CD2-CG 4.15Å; Y101-P474 HydrophobicContact CE1-CG 4.24Å; Y101-P474 HydrophobicContact CE2-CG 4.46Å; Y101-P474 HydrophobicContact CG-CG 3.87Å
102D98Very high98.5Very high115 Ų11545.5 Ų45.562%0.61523%0.233SC*.Hα-helixtrans-65.7-39.4-176.8-66.6-30.2000112.5D100 R104 M105 K106D100-D102 PolarHBondContact O-N 3.46Å; D102-R104 VanDerWaalsContact C-N 3.34Å; D102-M105 PolarHBondContact O-N 3.48Å; D102-K106 WeakPolarHBondContact O-CG 3.4Å; D102-K106 PolarHBondContact O-N 3.34Å
103E98.4Very high98.4Very high134 Ų13446.5 Ų46.563%0.62624%0.243SC*.Hα-helixtrans-65.8-41.1174.7-62.3-170.2172.200111D100 Y101 M105 K106 K107D100-E103 HydrophobicContact CB-CB 4.44Å; D100-E103 PolarHBondContact O-N 3.45Å; Y101-E103 PolarHBondContact O-N 3.35Å; E103-M105 PolarHBondContact O-N 3.2Å; E103-K106 PolarHBondContact O-N 2.98Å; E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 2.84Å
104R98.4Very high98.4Very high14 Ų1449.3 Ų49.35%0.05326%0.258CS..Hα-helixtrans-60.2-45.2175.8-168.2-167.6-52.2170.90.1111.5Y85 A89 L92 D97 T99 D100 Y101 D102 K107 L108Y85-R104 HydrophobicContact CE1-CG 4.42Å; Y85-R104 WeakPolarHBondContact OH-CA 3.18Å; Y85-R104 WeakPolarHBondContact OH-CG 3.38Å; A89-R104 HydrophobicContact CB-CG 4.15Å; L92-R104 VanDerWaalsContact CD1-CZ 3.42Å; D97-R104 PolarHBondContact O-NH1 2.69Å; D97-R104 PolarHBondContact O-NH2 3.26Å; D97-R104 IonicContact OD1-NH2 3.6Å; T99-R104 PolarHBondContact O-NH2 2.77Å; D100-R104 WeakPolarHBondContact O-CB 3.48Å; D100-R104 PolarHBondContact O-N 3.26Å; Y101-R104 WeakPolarHBondContact O-CB 3.42Å; Y101-R104 PolarHBondContact O-N 3Å; D102-R104 VanDerWaalsContact C-N 3.34Å; R104-K107 PolarHBondContact O-N 2.9Å; R104-L108 WeakPolarHBondContact O-CG 3.43Å; R104-L108 PolarHBondContact O-N 3.49Å
105M98.5Very high98.4Very high10 Ų1048.6 Ų48.65%0.04925%0.254CS..Hα-helixtrans-62.6-47.1176.9-68-50.9109.400111.5Y101 D102 E103 K107 L108 V109 Y132 P133Y101-M105 HydrophobicContact CD1-CG 4.06Å; Y101-M105 HydrophobicContact CD2-CE 4.07Å; Y101-M105 HydrophobicContact CE1-CG 3.72Å; Y101-M105 HydrophobicContact CE1-SD 4.43Å; Y101-M105 HydrophobicContact CE2-CE 3.73Å; Y101-M105 HydrophobicContact CE2-CG 4.43Å; Y101-M105 HydrophobicContact CE2-SD 4.31Å; Y101-M105 WeakPolarHBondContact O-CG 3.42Å; Y101-M105 PolarHBondContact O-N 3.12Å; D102-M105 PolarHBondContact O-N 3.48Å; E103-M105 PolarHBondContact O-N 3.2Å; M105-K107 VanDerWaalsContact C-N 3.29Å; M105-K107 PolarHBondContact O-N 2.89Å; M105-L108 HydrophobicContact CE-CD1 3.91Å; M105-L108 PolarHBondContact O-N 3.27Å; M105-L108 HydrophobicContact SD-CD1 4.25Å; M105-V109 WeakPolarHBondContact O-CG2 3.49Å; M105-V109 PolarHBondContact O-N 3.46Å; M105-Y132 HydrophobicContact CE-CD1 4.23Å; M105-Y132 HydrophobicContact SD-CD1 3.83Å; M105-P133 HydrophobicContact CB-CG 3.83Å; M105-P133 HydrophobicContact CG-CG 4.21Å; M105-P133 HydrophobicContact SD-CG 4.5Å
106K98.5Very high98.4Very high154 Ų15449.6 Ų49.667%0.6726%0.259SS*.Hα-helixtrans-57.6-42.3175.7-72.5172-176.3172.10111.8D102 E103 V109 S110D102-K106 WeakPolarHBondContact O-CG 3.4Å; D102-K106 PolarHBondContact O-N 3.34Å; E103-K106 PolarHBondContact O-N 2.98Å; K106-V109 PolarHBondContact O-N 2.95Å; K106-S110 PolarHBondContact O-N 3.02Å
107K98.4Very high98.3Very high93 Ų9357.7 Ų57.740%0.40430%0.297SS..Hα-helixtrans-67.9-39.4178.6-174.3161.5172.3-176.80112.5Y85 E103 R104 M105 S110 I111Y85-K107 HydrophobicContact CD1-CG 4.34Å; Y85-K107 HydrophobicContact CD2-CD 4.37Å; Y85-K107 HydrophobicContact CE1-CB 3.99Å; Y85-K107 HydrophobicContact CE1-CD 3.92Å; Y85-K107 HydrophobicContact CE1-CG 3.69Å; Y85-K107 HydrophobicContact CE2-CD 3.74Å; Y85-K107 HydrophobicContact CE2-CG 4.44Å; Y85-K107 VanDerWaalsContact CZ-CD 3.49Å; E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 2.84Å; R104-K107 PolarHBondContact O-N 2.9Å; M105-K107 VanDerWaalsContact C-N 3.29Å; M105-K107 PolarHBondContact O-N 2.89Å; K107-S110 PolarHBondContact O-N 3.12Å; K107-I111 HydrophobicContact CG-CD1 3.99Å; K107-I111 HydrophobicContact CG-CG1 4.45Å; K107-I111 VanDerWaalsContact O-CG1 3.3Å; K107-I111 WeakPolarHBondContact O-CG1 3.46Å; K107-I111 PolarHBondContact O-N 2.74Å
108L98.4Very high98.3Very high0 Ų061.9 Ų61.90%031%0.314CS..Hα-helixtrans-60.1-45.1173.6-74.6173.1000112Y85 C86 A89 R104 M105 S110 I111 V112 V124 Y132Y85-L108 HydrophobicContact CD1-CD2 4.13Å; Y85-L108 HydrophobicContact CE1-CD2 4.15Å; Y85-L108 HydrophobicContact CE1-CG 4.27Å; C86-L108 HydrophobicContact CB-CD2 4.23Å; C86-L108 VanDerWaalsContact SG-CD2 3.59Å; A89-L108 HydrophobicContact CB-CD1 3.95Å; A89-L108 HydrophobicContact CB-CD2 3.97Å; A89-L108 HydrophobicContact CB-CG 4.31Å; R104-L108 WeakPolarHBondContact O-CG 3.43Å; R104-L108 PolarHBondContact O-N 3.49Å; M105-L108 HydrophobicContact CE-CD1 3.91Å; M105-L108 PolarHBondContact O-N 3.27Å; M105-L108 HydrophobicContact SD-CD1 4.25Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.23Å; L108-I111 PolarHBondContact O-N 3.42Å; L108-V112 WeakPolarHBondContact O-CG2 3.44Å; L108-V112 PolarHBondContact O-N 3.28Å; L108-V124 HydrophobicContact CD2-CG2 4.33Å; L108-Y132 HydrophobicContact CD1-CD1 3.72Å; L108-Y132 HydrophobicContact CD1-CD2 4.13Å; L108-Y132 HydrophobicContact CD1-CE1 3.78Å; L108-Y132 HydrophobicContact CD1-CE2 4.17Å; L108-Y132 HydrophobicContact CD1-CG 3.92Å
109V98.6Very high98Very high42 Ų4266.6 Ų66.626%0.25534%0.34SS..Hα-helixtrans-60.7-45176.8176.50000110.6M105 K106 V112 A113 P133 L134 F138M105-V109 WeakPolarHBondContact O-CG2 3.49Å; M105-V109 PolarHBondContact O-N 3.46Å; K106-V109 PolarHBondContact O-N 2.95Å; V109-V112 PolarHBondContact O-N 3.01Å; V109-A113 WeakPolarHBondContact O-CB 3.49Å; V109-A113 PolarHBondContact O-N 3.01Å; V109-P133 HydrophobicContact CG2-CG 4.43Å; V109-L134 HydrophobicContact CB-CD2 4.4Å; V109-L134 HydrophobicContact CG2-CD2 4.01Å; V109-F138 HydrophobicContact CG1-CE2 4.31Å
110S98.6Very high97.8Very high78 Ų7870.6 Ų70.655%0.54535%0.347SS..Hα-helixtrans-61.7-44.8177.7179.70000112.7K106 K107 L108 V112 A113 D114K106-S110 PolarHBondContact O-N 3.02Å; K107-S110 PolarHBondContact O-N 3.12Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.23Å; S110-V112 PolarHBondContact O-N 3.14Å; S110-A113 PolarHBondContact O-N 2.96Å; S110-D114 WeakPolarHBondContact O-CB 3.48Å; S110-D114 PolarHBondContact O-N 3.42Å
111I98.6Very high97.7Very high21 Ų2169.2 Ų69.211%0.10834%0.339CS..Hα-helixtrans-59.3-46.8176.4-72.2165.9000110.9P82 Y85 K107 L108 D114 Q115P82-I111 HydrophobicContact CB-CG2 3.79Å; P82-I111 HydrophobicContact CG-CG2 4.39Å; Y85-I111 HydrophobicContact CD1-CD1 3.44Å; Y85-I111 VanDerWaalsContact CD1-CD1 3.44Å; Y85-I111 HydrophobicContact CE1-CD1 4.11Å; Y85-I111 HydrophobicContact CG-CD1 4.01Å; K107-I111 HydrophobicContact CG-CD1 3.99Å; K107-I111 HydrophobicContact CG-CG1 4.45Å; K107-I111 VanDerWaalsContact O-CG1 3.3Å; K107-I111 WeakPolarHBondContact O-CG1 3.46Å; K107-I111 PolarHBondContact O-N 2.74Å; L108-I111 PolarHBondContact O-N 3.42Å; I111-D114 PolarHBondContact O-N 3.34Å; I111-Q115 HydrophobicContact CG2-CG 4.4Å; I111-Q115 WeakPolarHBondContact O-CB 3.34Å; I111-Q115 VanDerWaalsContact O-CG 3.27Å; I111-Q115 WeakPolarHBondContact O-CG 3.26Å; I111-Q115 PolarHBondContact O-N 2.86Å
112V98.5Very high97.7Very high0 Ų068.1 Ų68.10%034%0.335CS..Hα-helixtrans-62.5-44.7178.9169.20000111L108 V109 S110 Q115 L116 V124 L134 F138 I142L108-V112 WeakPolarHBondContact O-CG2 3.44Å; L108-V112 PolarHBondContact O-N 3.28Å; V109-V112 PolarHBondContact O-N 3.01Å; S110-V112 PolarHBondContact O-N 3.14Å; V112-Q115 PolarHBondContact O-N 3.41Å; V112-L116 HydrophobicContact CG1-CD1 3.75Å; V112-L116 HydrophobicContact CG1-CG 4.25Å; V112-L116 WeakPolarHBondContact O-CB 3.46Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.5Å; V112-L116 PolarHBondContact O-N 3.35Å; V112-V124 HydrophobicContact CG2-CB 3.93Å; V112-V124 HydrophobicContact CG2-CG2 3.55Å; V112-L134 HydrophobicContact CB-CD2 4.1Å; V112-L134 HydrophobicContact CG1-CD2 4.2Å; V112-L134 HydrophobicContact CG2-CD2 4.06Å; V112-F138 HydrophobicContact CG1-CB 4.23Å; V112-F138 HydrophobicContact CG1-CD2 4.03Å; V112-F138 HydrophobicContact CG1-CG 4.21Å; V112-I142 HydrophobicContact CG1-CD1 3.85Å; V112-I142 HydrophobicContact CG1-CG1 4.11Å; V112-I142 HydrophobicContact CG2-CD1 4.2Å
113A98.4Very high97.6Very high33 Ų3363.2 Ų63.227%0.27331%0.31SS..Hα-helixtrans-58.4-49.7178.100000111.5V109 S110 Q115 L116 E117 F138V109-A113 WeakPolarHBondContact O-CB 3.49Å; V109-A113 PolarHBondContact O-N 3.01Å; S110-A113 PolarHBondContact O-N 2.96Å; A113-Q115 PolarHBondContact O-N 3.43Å; A113-L116 PolarHBondContact O-N 2.95Å; A113-E117 WeakPolarHBondContact O-CB 3.35Å; A113-E117 PolarHBondContact O-N 2.74Å; A113-F138 HydrophobicContact CB-CE2 3.93Å; A113-F138 HydrophobicContact CB-CZ 3.85Å
114D98.5Very high97.6Very high60 Ų6057 Ų5732%0.32128%0.281SS..Hα-helixtrans-60.6-43.7178.8-178.583.6000112.4S110 I111 E117 K118S110-D114 WeakPolarHBondContact O-CB 3.48Å; S110-D114 PolarHBondContact O-N 3.42Å; I111-D114 PolarHBondContact O-N 3.34Å; D114-E117 PolarHBondContact O-N 3.33Å; D114-K118 WeakPolarHBondContact O-CB 3.34Å; D114-K118 WeakPolarHBondContact O-CG 3.34Å; D114-K118 PolarHBondContact O-N 2.74Å; D114-K118 WeakPolarHBondContact OD1-CE 3.41Å; D114-K118 IonicContact OD1-NZ 3.71Å; D114-K118 PolarHBondContact OD1-NZ 2.82Å; D114-K118 WeakPolarHBondContact OD2-CD 3.49Å; D114-K118 WeakPolarHBondContact OD2-CE 3.46Å; D114-K118 IonicContact OD2-NZ 2.65Å; D114-K118 PolarHBondContact OD2-NZ 3.28Å
115Q98.4Very high97.6Very high13 Ų1359.5 Ų59.56%0.06129%0.293CS..Hα-helixtrans-67.1-42.5179.9-73.2178.9-45.500112.2I111 V112 A113 K118 N119 R120 S123I111-Q115 HydrophobicContact CG2-CG 4.4Å; I111-Q115 WeakPolarHBondContact O-CB 3.34Å; I111-Q115 VanDerWaalsContact O-CG 3.27Å; I111-Q115 WeakPolarHBondContact O-CG 3.26Å; I111-Q115 PolarHBondContact O-N 2.86Å; V112-Q115 PolarHBondContact O-N 3.41Å; A113-Q115 PolarHBondContact O-N 3.43Å; Q115-K118 CarbonylContact O-C 3.4Å; Q115-K118 PolarHBondContact O-N 2.71Å; Q115-N119 PolarHBondContact O-N 2.88Å; Q115-R120 HydrophobicContact CB-CB 4.37Å; Q115-R120 PolarHBondContact O-N 2.76Å; Q115-S123 PolarHBondContact NE2-OG 3.38Å
116L97.5Very high97.6Very high29 Ų2959.1 Ų59.115%0.15229%0.292CS..Hα-helixtrans-65-43.1177-71.9176.2000111.3V112 A113 K118 N119 P122 F138 A141 R145V112-L116 HydrophobicContact CG1-CD1 3.75Å; V112-L116 HydrophobicContact CG1-CG 4.25Å; V112-L116 WeakPolarHBondContact O-CB 3.46Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.5Å; V112-L116 PolarHBondContact O-N 3.35Å; A113-L116 PolarHBondContact O-N 2.95Å; L116-K118 VanDerWaalsContact C-N 3.34Å; L116-K118 PolarHBondContact O-N 3.45Å; L116-N119 PolarHBondContact O-N 2.9Å; L116-N119 VanDerWaalsContact O-N 3.1Å; L116-P122 HydrophobicContact CD2-CG 3.58Å; L116-P122 HydrophobicContact CG-CG 4.1Å; L116-F138 HydrophobicContact CD1-CB 4.5Å; L116-F138 HydrophobicContact CD1-CD1 3.89Å; L116-F138 HydrophobicContact CD1-CE1 4.35Å; L116-F138 HydrophobicContact CD1-CG 4.23Å; L116-A141 HydrophobicContact CD1-CB 3.92Å; L116-A141 HydrophobicContact CD2-CB 3.99Å; L116-R145 HydrophobicContact CD2-CG 4.23Å
117E97.8Very high97.5Very high170 Ų17054 Ų5479%0.79427%0.27SS*.Hα-helixtrans-60.6-42.9175.9-175-179.517300111.8A113 D114 N119A113-E117 WeakPolarHBondContact O-CB 3.35Å; A113-E117 PolarHBondContact O-N 2.74Å; D114-E117 PolarHBondContact O-N 3.33Å; E117-N119 PolarHBondContact O-N 3.15Å
118K97.1Very high97.5Very high112 Ų11250.9 Ų50.949%0.48726%0.257SS..THydrogen-bonded Turntrans-78.48.2177.1-68.2174.3-174.5160.40114D114 Q115 L116 R120D114-K118 WeakPolarHBondContact O-CB 3.34Å; D114-K118 WeakPolarHBondContact O-CG 3.34Å; D114-K118 PolarHBondContact O-N 2.74Å; D114-K118 WeakPolarHBondContact OD1-CE 3.41Å; D114-K118 IonicContact OD1-NZ 3.71Å; D114-K118 PolarHBondContact OD1-NZ 2.82Å; D114-K118 WeakPolarHBondContact OD2-CD 3.49Å; D114-K118 WeakPolarHBondContact OD2-CE 3.46Å; D114-K118 IonicContact OD2-NZ 2.65Å; D114-K118 PolarHBondContact OD2-NZ 3.28Å; Q115-K118 CarbonylContact O-C 3.4Å; Q115-K118 PolarHBondContact O-N 2.71Å; L116-K118 VanDerWaalsContact C-N 3.34Å; L116-K118 PolarHBondContact O-N 3.45Å; K118-R120 HydrophobicContact CB-CG 4.23Å; K118-R120 PolarHBondContact O-N 2.8Å
119N93.9Very high97.5Very high111 Ų11151.3 Ų51.359%0.59426%0.26SS*.THydrogen-bonded Turntrans52.138.8-177.4-161.438.4000113.7Q115 L116 E117 R145Q115-N119 PolarHBondContact O-N 2.88Å; L116-N119 PolarHBondContact O-N 2.9Å; L116-N119 VanDerWaalsContact O-N 3.1Å; E117-N119 PolarHBondContact O-N 3.15Å; N119-R145 VanDerWaalsContact OD1-CZ 3.32Å; N119-R145 PolarHBondContact OD1-NE 3.44Å; N119-R145 PolarHBondContact OD1-NH2 2.72Å
120R93.4Very high97.4Very high158 Ų15850 Ų5060%0.59625%0.251SS*.PPolyproline II helixtrans-98.9155.8175.1-67.4-175.8175.8-176-1.7110.4Q115 K118 P122Q115-R120 HydrophobicContact CB-CB 4.37Å; Q115-R120 PolarHBondContact O-N 2.76Å; K118-R120 HydrophobicContact CB-CG 4.23Å; K118-R120 PolarHBondContact O-N 2.8Å; R120-P122 VanDerWaalsContact O-CD 3.3Å; R120-P122 WeakPolarHBondContact O-CD 3.23Å
121L95Very high97.4Very high79 Ų7946.3 Ų46.341%0.41423%0.226SC..PPolyproline II helixtrans-62123.9168.4-177.668.2000109.1R145 L149L121-R145 HydrophobicContact CD1-CB 4.06Å; L121-L149 HydrophobicContact CD1-CD1 3.67Å; L121-L149 HydrophobicContact CD1-CG 4.17Å; L121-L149 HydrophobicContact CD2-CD1 3.67Å; L121-L149 HydrophobicContact CG-CD1 4.31Å
122P98Very high97.4Very high4 Ų445.7 Ų45.73%0.02622%0.222CC..PPolyproline II helixtrans-64.6138.4177.5-26.337.9000112.3L116 R120 V124 I142L116-P122 HydrophobicContact CD2-CG 3.58Å; L116-P122 HydrophobicContact CG-CG 4.1Å; R120-P122 VanDerWaalsContact O-CD 3.3Å; R120-P122 WeakPolarHBondContact O-CD 3.23Å; P122-V124 PolarHBondContact O-N 3.06Å; P122-I142 HydrophobicContact CB-CG1 3.86Å; P122-I142 HydrophobicContact CB-CG2 4.5Å; P122-I142 HydrophobicContact CG-CB 4.49Å; P122-I142 HydrophobicContact CG-CG1 3.89Å
123S97.8Very high97.4Very high13 Ų1349.6 Ų49.69%0.09125%0.247CC..SBendtrans-72-17.1176.4-64.30000113P82 D83 Q115 H125P82-S123 WeakPolarHBondContact CB-OG 3.47Å; D83-S123 PolarHBondContact N-OG 2.86Å; D83-S123 VanDerWaalsContact OD1-CB 3.29Å; D83-S123 WeakPolarHBondContact OD1-CB 3.43Å; D83-S123 PolarHBondContact OD1-OG 2.84Å; Q115-S123 PolarHBondContact NE2-OG 3.38Å; S123-H125 PolarHBondContact O-N 2.91Å
124V98.3Very high97.4Very high2 Ų248.4 Ų48.41%0.01224%0.236CC..SBendtrans-79.4116.3170.5173.70000108.8C86 L108 V112 P122 Y132 L134 I142C86-V124 HydrophobicContact CB-CG2 4.35Å; L108-V124 HydrophobicContact CD2-CG2 4.33Å; V112-V124 HydrophobicContact CG2-CB 3.93Å; V112-V124 HydrophobicContact CG2-CG2 3.55Å; P122-V124 PolarHBondContact O-N 3.06Å; V124-Y132 HydrophobicContact CG1-CD2 3.88Å; V124-Y132 HydrophobicContact CG1-CE2 3.85Å; V124-Y132 HydrophobicContact CG2-CD2 4.41Å; V124-Y132 HydrophobicContact CG2-CE2 4.34Å; V124-L134 HydrophobicContact CG1-CD1 4.36Å; V124-I142 HydrophobicContact CB-CD1 4.29Å; V124-I142 HydrophobicContact CG1-CD1 4.21Å; V124-I142 WeakPolarHBondContact O-CG2 3.47Å
125H97.2Very high97.4Very high67 Ų6748.4 Ų48.431%0.3124%0.241SC..  trans-64.7142.5174.6-172-96.9000111.6S123 H127 H128 S129 Y261S123-H125 PolarHBondContact O-N 2.91Å; H125-H127 VanDerWaalsContact C-N 3.32Å; H125-H127 WeakPolarHBondContact ND1-CB 3.42Å; H125-H127 PolarHBondContact ND1-N 2.84Å; H125-H127 PolarHBondContact O-N 3.11Å; H125-H128 PolarHBondContact O-N 2.88Å; H125-S129 PolarHBondContact O-N 2.77Å; H125-Y261 PolarHBondContact CE1-O 3Å
126P98.1Very high97.4Very high2 Ų249 Ų491%0.01324%0.243CC..G310 helixtrans-54.1-45.1-175.8-26.332.3000113.1H128 S129 I142 A143 H146 Y261 Y284P126-H128 PolarHBondContact O-N 2.89Å; P126-S129 WeakPolarHBondContact O-CB 3.46Å; P126-S129 PolarHBondContact O-N 2.91Å; P126-S129 VanDerWaalsContact O-N 3.12Å; P126-S129 PolarHBondContact O-OG 3.46Å; P126-I142 HydrophobicContact CB-CG2 4.3Å; P126-I142 HydrophobicContact CG-CG2 3.97Å; P126-A143 HydrophobicContact CB-CB 4.45Å; P126-H146 VanDerWaalsContact CD-CE1 3.48Å; P126-H146 WeakPolarHBondContact CD-CE1 3.37Å; P126-H146 WeakPolarHBondContact CD-NE2 3.27Å; P126-H146 HydrophobicContact CG-CB 3.92Å; P126-H146 VanDerWaalsContact CG-CG 3.43Å; P126-H146 WeakPolarHBondContact CG-ND1 3.46Å; P126-Y261 HydrophobicContact CB-CD2 3.52Å; P126-Y261 HydrophobicContact CB-CE2 4.17Å; P126-Y261 HydrophobicContact CB-CG 3.97Å; P126-Y261 HydrophobicContact CG-CD1 4.45Å; P126-Y261 HydrophobicContact CG-CD2 3.79Å; P126-Y261 HydrophobicContact CG-CE2 4.23Å; P126-Y261 HydrophobicContact CG-CG 3.91Å; P126-Y284 VanDerWaalsContact C-OH 3.26Å; P126-Y284 VanDerWaalsContact CB-OH 3.31Å; P126-Y284 WeakPolarHBondContact CB-OH 3.34Å
127H96.7Very high97.4Very high47 Ų4749.7 Ų49.722%0.21826%0.258CS..G310 helixtrans-61.3-30.8178.2-173.2-106.2000113.1H125 M130 Y284H125-H127 VanDerWaalsContact C-N 3.32Å; H125-H127 WeakPolarHBondContact ND1-CB 3.42Å; H125-H127 PolarHBondContact ND1-N 2.84Å; H125-H127 PolarHBondContact O-N 3.11Å; H127-M130 WeakPolarHBondContact O-CE 3.35Å; H127-M130 WeakPolarHBondContact O-CG 3.38Å; H127-Y284 HydrophobicContact CB-CE2 4Å; H127-Y284 AromaticContact CD2-CE2 3.83Å; H127-Y284 PolarHBondContact N-OH 3.05Å
128H98.2Very high97.4Very high27 Ų2744.5 Ų44.513%0.12523%0.233CC..G310 helixtrans-84.6-18.6-179.9-54.2155.7000112.3H90 H125 P126 M130 L131 Y132H90-H128 AromaticContact CD2-CD2 3.69Å; H90-H128 AromaticContact CD2-CE1 3.92Å; H90-H128 AromaticContact CD2-CG 3.59Å; H90-H128 AromaticContact CD2-ND1 3.72Å; H90-H128 AromaticContact CD2-NE2 3.95Å; H90-H128 AromaticContact CE1-CD2 3.8Å; H90-H128 AromaticContact CE1-CE1 3.57Å; H90-H128 AromaticContact CE1-NE2 3.35Å; H90-H128 PolarHBondContact CE1-NE2 3.16Å; H90-H128 AromaticContact CG-CE1 3.85Å; H90-H128 AromaticContact CG-ND1 3.77Å; H90-H128 AromaticContact ND1-CE1 3.65Å; H90-H128 AromaticContact ND1-NE2 3.92Å; H90-H128 AromaticContact NE2-CD2 3.3Å; H90-H128 PolarHBondContact NE2-CD2 3.39Å; H90-H128 VanDerWaalsContact NE2-CD2 3.3Å; H90-H128 AromaticContact NE2-CE1 3.75Å; H90-H128 AromaticContact NE2-CG 3.72Å; H90-H128 AromaticContact NE2-ND1 3.96Å; H90-H128 AromaticContact NE2-NE2 3.37Å; H90-H128 PolarHBondContact NE2-NE2 3.38Å; H125-H128 PolarHBondContact O-N 2.88Å; P126-H128 PolarHBondContact O-N 2.89Å; H128-M130 PolarHBondContact O-N 3.13Å; H128-M130 VanDerWaalsContact O-N 3.1Å; H128-L131 WeakPolarHBondContact O-CB 3.35Å; H128-L131 PolarHBondContact O-N 2.62Å; H128-Y132 HydrophobicContact CB-CE2 4.04Å; H128-Y132 WeakPolarHBondContact O-CE2 3.22Å
129S98.4Very high97.5Very high9 Ų941 Ų416%0.06322%0.216CC..G310 helixtrans-60.2-23.6-176.675.40000113.7H125 P126 L131 Y132 R139H125-S129 PolarHBondContact O-N 2.77Å; P126-S129 WeakPolarHBondContact O-CB 3.46Å; P126-S129 PolarHBondContact O-N 2.91Å; P126-S129 VanDerWaalsContact O-N 3.12Å; P126-S129 PolarHBondContact O-OG 3.46Å; S129-L131 PolarHBondContact O-N 2.93Å; S129-Y132 PolarHBondContact O-N 3.22Å; S129-R139 PolarHBondContact O-NE 3.22Å
130M97.2Very high97.7Very high14 Ų1438.7 Ų38.77%0.06920%0.201CC..G310 helixtrans-67.1-21.8174.869.1-176.2174.700113.5H127 H128 P285 Y470 A571H127-M130 WeakPolarHBondContact O-CE 3.35Å; H127-M130 WeakPolarHBondContact O-CG 3.38Å; H128-M130 PolarHBondContact O-N 3.13Å; H128-M130 VanDerWaalsContact O-N 3.1Å; M130-P285 HydrophobicContact SD-CG 4.31Å; M130-Y470 HydrophobicContact CE-CE2 4.48Å; M130-A571 HydrophobicContact CB-CB 4.34Å; M130-A571 HydrophobicContact CG-CB 4.41Å; M130-A571 HydrophobicContact SD-CB 3.36Å; M130-A571 WeakPolarHBondContact SD-CB 3.46Å
131L98.2Very high98Very high2 Ų232.3 Ų32.31%0.0118%0.182CC..G310 helixtrans-86.7-10.1-176.4-53.6176.8000113Q93 H128 S129 Y470 L545 C546Q93-L131 HydrophobicContact CG-CD1 4.29Å; H128-L131 WeakPolarHBondContact O-CB 3.35Å; H128-L131 PolarHBondContact O-N 2.62Å; S129-L131 PolarHBondContact O-N 2.93Å; L131-Y470 HydrophobicContact CD1-CD2 3.68Å; L131-Y470 HydrophobicContact CD1-CE2 4.07Å; L131-Y470 HydrophobicContact CD2-CD2 3.92Å; L131-Y470 HydrophobicContact CD2-CE2 3.91Å; L131-Y470 HydrophobicContact CG-CD2 4.47Å; L131-L545 HydrophobicContact CB-CD2 4.46Å; L131-L545 HydrophobicContact CD2-CD2 4.13Å; L131-L545 HydrophobicContact CD2-CG 4.31Å; L131-C546 HydrophobicContact CD2-CB 4.13Å
132Y98.2Very high98.2Very high7 Ų728.6 Ų28.63%0.02716%0.163CC..SBendtrans-115151.6-172.9-50.1-41.4000110.3M105 L108 V124 H128 S129 L134 R139M105-Y132 HydrophobicContact CE-CD1 4.23Å; M105-Y132 HydrophobicContact SD-CD1 3.83Å; L108-Y132 HydrophobicContact CD1-CD1 3.72Å; L108-Y132 HydrophobicContact CD1-CD2 4.13Å; L108-Y132 HydrophobicContact CD1-CE1 3.78Å; L108-Y132 HydrophobicContact CD1-CE2 4.17Å; L108-Y132 HydrophobicContact CD1-CG 3.92Å; V124-Y132 HydrophobicContact CG1-CD2 3.88Å; V124-Y132 HydrophobicContact CG1-CE2 3.85Å; V124-Y132 HydrophobicContact CG2-CD2 4.41Å; V124-Y132 HydrophobicContact CG2-CE2 4.34Å; H128-Y132 HydrophobicContact CB-CE2 4.04Å; H128-Y132 WeakPolarHBondContact O-CE2 3.22Å; S129-Y132 PolarHBondContact O-N 3.22Å; Y132-L134 HydrophobicContact CD2-CD1 4.49Å; Y132-L134 PolarHBondContact O-N 3.28Å; Y132-R139 PolarHBondContact O-NH2 3.31Å
133P98.3Very high98.2Very high83 Ų8328.5 Ų28.554%0.53916%0.162SC..  trans-77.451.3179.834.2-36.7000111.8M105 V109M105-P133 HydrophobicContact CB-CG 3.83Å; M105-P133 HydrophobicContact CG-CG 4.21Å; M105-P133 HydrophobicContact SD-CG 4.5Å; V109-P133 HydrophobicContact CG2-CG 4.43Å
134L98.5Very high98.2Very high8 Ų831.6 Ų31.64%0.04218%0.175CC..  trans-77153.8171.4-63167.4000109.8V109 V112 V124 Y132 F138 R139 I142V109-L134 HydrophobicContact CB-CD2 4.4Å; V109-L134 HydrophobicContact CG2-CD2 4.01Å; V112-L134 HydrophobicContact CB-CD2 4.1Å; V112-L134 HydrophobicContact CG1-CD2 4.2Å; V112-L134 HydrophobicContact CG2-CD2 4.06Å; V124-L134 HydrophobicContact CG1-CD1 4.36Å; Y132-L134 HydrophobicContact CD2-CD1 4.49Å; Y132-L134 PolarHBondContact O-N 3.28Å; L134-F138 HydrophobicContact CB-CB 4.26Å; L134-F138 HydrophobicContact CD2-CD2 4.15Å; L134-R139 HydrophobicContact CB-CG 4.04Å; L134-R139 HydrophobicContact CD1-CG 4.47Å; L134-R139 PolarHBondContact O-NH1 2.96Å; L134-R139 PolarHBondContact O-NH2 2.98Å; L134-I142 HydrophobicContact CD1-CD1 3.79Å
135S98.5Very high98.2Very high60 Ų6034.4 Ų34.442%0.4219%0.186SC..  trans-68.7156.7167.867.20000110.6G137 F138 R139S135-G137 PolarHBondContact O-N 3.34Å; S135-F138 PolarHBondContact O-N 2.73Å; S135-F138 VanDerWaalsContact O-N 3.11Å; S135-F138 WeakPolarHBondContact OG-CB 3.27Å; S135-F138 WeakPolarHBondContact OG-CG 3.43Å; S135-F138 PolarHBondContact OG-N 2.86Å; S135-F138 VanDerWaalsContact OG-N 3.13Å; S135-R139 PolarHBondContact O-N 2.99Å
136H98.4Very high98.2Very high24 Ų2432.4 Ų32.411%0.11118%0.177CC..Hα-helixtrans-57.2-40.5173.1-65.1-44.3000112.1F138 R139 K140 Q310 E568H136-F138 VanDerWaalsContact C-N 3.33Å; H136-F138 PolarHBondContact O-N 3.33Å; H136-R139 PolarHBondContact ND1-NH1 3.38Å; H136-R139 VanDerWaalsContact ND1-NH1 3.13Å; H136-R139 PolarHBondContact O-N 2.89Å; H136-K140 PolarHBondContact O-N 3.38Å; H136-Q310 HydrophobicContact CB-CB 3.8Å; H136-E568 IonicContact CD2-OE2 2.83Å; H136-E568 IonicContact CE1-OE2 3.55Å; H136-E568 IonicContact NE2-OE2 3.64Å; H136-E568 PolarHBondContact NE2-OE2 3.37Å
137G98.3Very high98.1Very high44 Ų4432.3 Ų32.345%0.45418%0.176SC..Hα-helixtrans-56.5-43.9173.900000112.8S135 K140 A141S135-G137 PolarHBondContact O-N 3.34Å; G137-K140 PolarHBondContact O-N 2.83Å; G137-A141 VanDerWaalsContact O-CB 3.3Å; G137-A141 WeakPolarHBondContact O-CB 3.29Å; G137-A141 PolarHBondContact O-N 2.78Å
138F98.6Very high98.1Very high62 Ų6232.4 Ų32.427%0.27218%0.178SC..Hα-helixtrans-66.7-42.9176.4-75.61.1000112.4V109 V112 A113 L116 L134 S135 H136 K140 A141 I142V109-F138 HydrophobicContact CG1-CE2 4.31Å; V112-F138 HydrophobicContact CG1-CB 4.23Å; V112-F138 HydrophobicContact CG1-CD2 4.03Å; V112-F138 HydrophobicContact CG1-CG 4.21Å; A113-F138 HydrophobicContact CB-CE2 3.93Å; A113-F138 HydrophobicContact CB-CZ 3.85Å; L116-F138 HydrophobicContact CD1-CB 4.5Å; L116-F138 HydrophobicContact CD1-CD1 3.89Å; L116-F138 HydrophobicContact CD1-CE1 4.35Å; L116-F138 HydrophobicContact CD1-CG 4.23Å; L134-F138 HydrophobicContact CB-CB 4.26Å; L134-F138 HydrophobicContact CD2-CD2 4.15Å; S135-F138 PolarHBondContact O-N 2.73Å; S135-F138 VanDerWaalsContact O-N 3.11Å; S135-F138 WeakPolarHBondContact OG-CB 3.27Å; S135-F138 WeakPolarHBondContact OG-CG 3.43Å; S135-F138 PolarHBondContact OG-N 2.86Å; S135-F138 VanDerWaalsContact OG-N 3.13Å; H136-F138 VanDerWaalsContact C-N 3.33Å; H136-F138 PolarHBondContact O-N 3.33Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 2.87Å; F138-A141 PolarHBondContact O-N 3.12Å; F138-I142 WeakPolarHBondContact O-CB 3.38Å; F138-I142 WeakPolarHBondContact O-CD1 3.32Å; F138-I142 WeakPolarHBondContact O-CG1 3.49Å; F138-I142 PolarHBondContact O-N 3.4Å
139R98.8Very high97.9Very high37 Ų3734.2 Ų34.214%0.1419%0.188CC..Hα-helixtrans-59.8-45.2176.7-63.7-168.6-170.190.36.3111.4S129 Y132 L134 S135 H136 I142 A143S129-R139 PolarHBondContact O-NE 3.22Å; Y132-R139 PolarHBondContact O-NH2 3.31Å; L134-R139 HydrophobicContact CB-CG 4.04Å; L134-R139 HydrophobicContact CD1-CG 4.47Å; L134-R139 PolarHBondContact O-NH1 2.96Å; L134-R139 PolarHBondContact O-NH2 2.98Å; S135-R139 PolarHBondContact O-N 2.99Å; H136-R139 PolarHBondContact ND1-NH1 3.38Å; H136-R139 VanDerWaalsContact ND1-NH1 3.13Å; H136-R139 PolarHBondContact O-N 2.89Å; R139-I142 PolarHBondContact O-N 3.47Å; R139-A143 PolarHBondContact O-N 3.25Å; R139-A143 VanDerWaalsContact O-N 3.12Å
140K98.7Very high97.7Very high64 Ų6434.2 Ų34.228%0.27819%0.188SC..Hα-helixtrans-63.6-43.6176.8-169.9170.270.2-178.40112H136 G137 F138 A143 E144 T287 E309H136-K140 PolarHBondContact O-N 3.38Å; G137-K140 PolarHBondContact O-N 2.83Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 2.87Å; K140-A143 WeakPolarHBondContact O-CB 3.45Å; K140-A143 PolarHBondContact O-N 3.22Å; K140-E144 WeakPolarHBondContact O-CB 3.21Å; K140-E144 PolarHBondContact O-N 2.65Å; K140-T287 HydrophobicContact CB-CG2 4.35Å; K140-T287 HydrophobicContact CG-CG2 4.29Å; K140-E309 WeakPolarHBondContact CE-O 3.4Å; K140-E309 PolarHBondContact NZ-O 3.08Å
141A98.6Very high97.7Very high24 Ų2435.9 Ų35.920%0.19820%0.197CC..Hα-helixtrans-65.7-37.117800000113L116 G137 F138 A143 E144 R145L116-A141 HydrophobicContact CD1-CB 3.92Å; L116-A141 HydrophobicContact CD2-CB 3.99Å; G137-A141 VanDerWaalsContact O-CB 3.3Å; G137-A141 WeakPolarHBondContact O-CB 3.29Å; G137-A141 PolarHBondContact O-N 2.78Å; F138-A141 PolarHBondContact O-N 3.12Å; A141-A143 VanDerWaalsContact C-N 3.33Å; A141-E144 PolarHBondContact O-N 3.49Å; A141-R145 WeakPolarHBondContact O-CG 3.32Å; A141-R145 PolarHBondContact O-N 2.9Å
142I98.6Very high97.5Very high0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-59.4-47.4172.3-71.1163.1000110.2V112 P122 V124 P126 L134 F138 R139 R145 H146V112-I142 HydrophobicContact CG1-CD1 3.85Å; V112-I142 HydrophobicContact CG1-CG1 4.11Å; V112-I142 HydrophobicContact CG2-CD1 4.2Å; P122-I142 HydrophobicContact CB-CG1 3.86Å; P122-I142 HydrophobicContact CB-CG2 4.5Å; P122-I142 HydrophobicContact CG-CB 4.49Å; P122-I142 HydrophobicContact CG-CG1 3.89Å; V124-I142 HydrophobicContact CB-CD1 4.29Å; V124-I142 HydrophobicContact CG1-CD1 4.21Å; V124-I142 WeakPolarHBondContact O-CG2 3.47Å; P126-I142 HydrophobicContact CB-CG2 4.3Å; P126-I142 HydrophobicContact CG-CG2 3.97Å; L134-I142 HydrophobicContact CD1-CD1 3.79Å; F138-I142 WeakPolarHBondContact O-CB 3.38Å; F138-I142 WeakPolarHBondContact O-CD1 3.32Å; F138-I142 WeakPolarHBondContact O-CG1 3.49Å; F138-I142 PolarHBondContact O-N 3.4Å; R139-I142 PolarHBondContact O-N 3.47Å; I142-R145 PolarHBondContact O-N 2.95Å; I142-H146 PolarHBondContact O-N 2.88Å; I142-H146 PolarHBondContact O-ND1 2.97Å
143A98.6Very high97.2Very high2 Ų246.2 Ų46.22%0.01725%0.247CC..Hα-helixtrans-63.1-46.6178.500000111.2P126 R139 K140 A141 R145 H146 G147 Y261 T287 S288P126-A143 HydrophobicContact CB-CB 4.45Å; R139-A143 PolarHBondContact O-N 3.25Å; R139-A143 VanDerWaalsContact O-N 3.12Å; K140-A143 WeakPolarHBondContact O-CB 3.45Å; K140-A143 PolarHBondContact O-N 3.22Å; A141-A143 VanDerWaalsContact C-N 3.33Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 3.46Å; A143-H146 CarbonylContact O-C 3.58Å; A143-H146 WeakPolarHBondContact O-CA 3.13Å; A143-H146 WeakPolarHBondContact O-CB 3.46Å; A143-H146 PolarHBondContact O-N 2.83Å; A143-G147 PolarHBondContact O-N 2.57Å; A143-Y261 HydrophobicContact CB-CE2 4.03Å; A143-Y261 PolarHBondContact O-OH 3.29Å; A143-Y261 VanDerWaalsContact O-OH 3.06Å; A143-T287 HydrophobicContact CB-CG2 4.16Å; A143-S288 CarbonylContact C-O 3.14Å; A143-S288 VanDerWaalsContact C-O 3.29Å; A143-S288 VanDerWaalsContact CB-O 3.29Å; A143-S288 WeakPolarHBondContact CB-O 3.48Å
144E98.5Very high97Very high78 Ų7842.9 Ų42.936%0.36423%0.225SC..Hα-helixtrans-53.9-46.8175.3-175.3-161.7150.500112.2K140 A141 H146 G147 N148 G289K140-E144 WeakPolarHBondContact O-CB 3.21Å; K140-E144 PolarHBondContact O-N 2.65Å; A141-E144 PolarHBondContact O-N 3.49Å; E144-H146 VanDerWaalsContact C-N 3.26Å; E144-H146 PolarHBondContact O-N 3.35Å; E144-G147 WeakPolarHBondContact O-CA 3.24Å; E144-G147 PolarHBondContact O-N 2.96Å; E144-N148 PolarHBondContact O-N 2.87Å; E144-N148 PolarHBondContact O-OD1 2.76Å; E144-G289 VanDerWaalsContact CA-O 3.25Å; E144-G289 WeakPolarHBondContact CA-O 3.38Å; E144-G289 WeakPolarHBondContact CB-O 3.49Å
145R97.5Very high96.8Very high61 Ų6147.1 Ų47.123%0.2325%0.247CC..Hα-helixtrans-61.4-35177.9-70.8-69.9178.8-98.85112.4L116 N119 L121 A141 I142 A143 N148 L149L116-R145 HydrophobicContact CD2-CG 4.23Å; N119-R145 VanDerWaalsContact OD1-CZ 3.32Å; N119-R145 PolarHBondContact OD1-NE 3.44Å; N119-R145 PolarHBondContact OD1-NH2 2.72Å; L121-R145 HydrophobicContact CD1-CB 4.06Å; A141-R145 WeakPolarHBondContact O-CG 3.32Å; A141-R145 PolarHBondContact O-N 2.9Å; I142-R145 PolarHBondContact O-N 2.95Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 3.46Å; R145-N148 PolarHBondContact O-N 2.86Å; R145-L149 PolarHBondContact O-N 2.88Å
146H96.8Very high96.6Very high26 Ų2649.1 Ų49.112%0.1226%0.256CS..Hα-helixtrans-72.9-34.6173.5-74.169.5000112.4P126 I142 A143 E144 N148 L149 Y261P126-H146 VanDerWaalsContact CD-CE1 3.48Å; P126-H146 WeakPolarHBondContact CD-CE1 3.37Å; P126-H146 WeakPolarHBondContact CD-NE2 3.27Å; P126-H146 HydrophobicContact CG-CB 3.92Å; P126-H146 VanDerWaalsContact CG-CG 3.43Å; P126-H146 WeakPolarHBondContact CG-ND1 3.46Å; I142-H146 PolarHBondContact O-N 2.88Å; I142-H146 PolarHBondContact O-ND1 2.97Å; A143-H146 CarbonylContact O-C 3.58Å; A143-H146 WeakPolarHBondContact O-CA 3.13Å; A143-H146 WeakPolarHBondContact O-CB 3.46Å; A143-H146 PolarHBondContact O-N 2.83Å; E144-H146 VanDerWaalsContact C-N 3.26Å; E144-H146 PolarHBondContact O-N 3.35Å; H146-N148 VanDerWaalsContact C-N 3.32Å; H146-L149 WeakPolarHBondContact O-CB 3.43Å; H146-L149 PolarHBondContact O-N 3.43Å; H146-Y261 HydrophobicContact CB-CD1 4.1Å; H146-Y261 HydrophobicContact CB-CE1 3.54Å; H146-Y261 HydrophobicContact CB-CE2 4.49Å
147G97.3Very high96.3Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-59.8-41.4169.700000112.4A143 E144 L149 C150 L151 Y261A143-G147 PolarHBondContact O-N 2.57Å; E144-G147 WeakPolarHBondContact O-CA 3.24Å; E144-G147 PolarHBondContact O-N 2.96Å; G147-L149 VanDerWaalsContact C-N 3.34Å; G147-L149 PolarHBondContact O-N 2.89Å; G147-C150 WeakPolarHBondContact O-CB 3.49Å; G147-C150 PolarHBondContact O-N 2.76Å; G147-C150 VanDerWaalsContact O-N 3.09Å; G147-L151 PolarHBondContact O-N 3.23Å; G147-Y261 WeakPolarHBondContact CA-OH 3.41Å; G147-Y261 PolarHBondContact N-OH 3.26Å; G147-Y261 VanDerWaalsContact N-OH 3.07Å
148N96.7Very high96.2Very high48 Ų4857.2 Ų57.226%0.25728%0.284SS..Hα-helixtrans-65.7-34.2178.3-66.9-11.7000112.7E144 R145 H146 C150 L151 D152E144-N148 PolarHBondContact O-N 2.87Å; E144-N148 PolarHBondContact O-OD1 2.76Å; R145-N148 PolarHBondContact O-N 2.86Å; H146-N148 VanDerWaalsContact C-N 3.32Å; N148-C150 PolarHBondContact O-N 2.98Å; N148-L151 WeakPolarHBondContact O-CA 3.44Å; N148-L151 WeakPolarHBondContact O-CB 3.49Å; N148-L151 PolarHBondContact O-N 3.08Å; N148-D152 PolarHBondContact O-N 3.28Å
149L93.3Very high96Very high65 Ų6557.1 Ų57.134%0.3428%0.283SS..Hα-helixtrans-58.8-36.3171.8-67.1175.7000112.4L121 R145 H146 G147 K153L121-L149 HydrophobicContact CD1-CD1 3.67Å; L121-L149 HydrophobicContact CD1-CG 4.17Å; L121-L149 HydrophobicContact CD2-CD1 3.67Å; L121-L149 HydrophobicContact CG-CD1 4.31Å; R145-L149 PolarHBondContact O-N 2.88Å; H146-L149 WeakPolarHBondContact O-CB 3.43Å; H146-L149 PolarHBondContact O-N 3.43Å; G147-L149 VanDerWaalsContact C-N 3.34Å; G147-L149 PolarHBondContact O-N 2.89Å; L149-K153 WeakPolarHBondContact O-CG 3.28Å; L149-K153 PolarHBondContact O-N 3.48Å
150C94.7Very high95.9Very high9 Ų960 Ų606%0.06131%0.307CS..Hα-helixtrans-67.4-39.4175-64.60000111.1G147 N148 K153 I154 E268 A271 F292G147-C150 WeakPolarHBondContact O-CB 3.49Å; G147-C150 PolarHBondContact O-N 2.76Å; G147-C150 VanDerWaalsContact O-N 3.09Å; N148-C150 PolarHBondContact O-N 2.98Å; C150-K153 PolarHBondContact O-N 2.84Å; C150-I154 WeakPolarHBondContact O-CG1 3.44Å; C150-I154 WeakPolarHBondContact O-CG2 3.32Å; C150-I154 PolarHBondContact O-N 3.47Å; C150-I154 VanDerWaalsContact O-N 3.17Å; C150-E268 HydrophobicContact CB-CG 4.24Å; C150-A271 HydrophobicContact CB-CB 4.17Å; C150-F292 HydrophobicContact CB-CE1 4.34Å; C150-F292 HydrophobicContact CB-CZ 4.47Å
151L96.1Very high95.9Very high50 Ų5062.9 Ų62.926%0.26233%0.332SS..Hα-helixtrans-60.4-47.2174.4-67.2172000111.4G147 N148 K153 I154 N155 A271 F292G147-L151 PolarHBondContact O-N 3.23Å; N148-L151 WeakPolarHBondContact O-CA 3.44Å; N148-L151 WeakPolarHBondContact O-CB 3.49Å; N148-L151 PolarHBondContact O-N 3.08Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 3.49Å; L151-I154 HydrophobicContact CD2-CD1 4.31Å; L151-I154 WeakPolarHBondContact O-CG1 3.18Å; L151-I154 PolarHBondContact O-N 3.34Å; L151-I154 VanDerWaalsContact O-N 3.1Å; L151-N155 WeakPolarHBondContact O-CB 3.49Å; L151-N155 PolarHBondContact O-N 3.31Å; L151-N155 PolarHBondContact O-ND2 2.89Å; L151-A271 HydrophobicContact CD2-CB 4.17Å; L151-F292 HydrophobicContact CD2-CD1 4.22Å; L151-F292 HydrophobicContact CG-CD1 4.48Å
152D93.7Very high95.9Very high100 Ų10063.1 Ų63.154%0.53533%0.328SS..Hα-helixtrans-58.9-42.1178.7-67.9-22.9000111.9N148 I154 N155N148-D152 PolarHBondContact O-N 3.28Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.97Å; D152-N155 PolarHBondContact O-N 3.27Å
153K91.8Very high95.9Very high125 Ų12571.4 Ų71.454%0.54337%0.367SS..Hα-helixtrans-67.2-26.6177.3-73175.6-173.3179.60114.3L149 C150 L151 V156 E268L149-K153 WeakPolarHBondContact O-CG 3.28Å; L149-K153 PolarHBondContact O-N 3.48Å; C150-K153 PolarHBondContact O-N 2.84Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 3.49Å; K153-V156 VanDerWaalsContact O-CG2 3.25Å; K153-V156 WeakPolarHBondContact O-CG2 3.42Å; K153-E268 HydrophobicContact CB-CG 4.12Å; K153-E268 HydrophobicContact CD-CG 4.06Å; K153-E268 WeakPolarHBondContact CD-OE1 3.46Å; K153-E268 IonicContact NZ-OE1 3.69Å; K153-E268 PolarHBondContact NZ-OE1 3.17Å
154I95.3Very high95.9Very high14 Ų1473.7 Ų73.77%0.07238%0.377CS..Hα-helixtrans-93.6-24.9178.764154.3000112.5C150 L151 D152 V156 L157 E268 A271 L272C150-I154 WeakPolarHBondContact O-CG1 3.44Å; C150-I154 WeakPolarHBondContact O-CG2 3.32Å; C150-I154 PolarHBondContact O-N 3.47Å; C150-I154 VanDerWaalsContact O-N 3.17Å; L151-I154 HydrophobicContact CD2-CD1 4.31Å; L151-I154 WeakPolarHBondContact O-CG1 3.18Å; L151-I154 PolarHBondContact O-N 3.34Å; L151-I154 VanDerWaalsContact O-N 3.1Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.97Å; I154-V156 PolarHBondContact O-N 2.91Å; I154-L157 HydrophobicContact CB-CD1 4.47Å; I154-L157 VanDerWaalsContact O-CB 3.23Å; I154-L157 WeakPolarHBondContact O-CB 3.2Å; I154-L157 PolarHBondContact O-N 3.45Å; I154-E268 HydrophobicContact CG2-CB 3.66Å; I154-E268 HydrophobicContact CG2-CG 4.11Å; I154-A271 HydrophobicContact CD1-CB 3.64Å; I154-A271 VanDerWaalsContact CD1-O 3.29Å; I154-A271 WeakPolarHBondContact CD1-O 3.42Å; I154-A271 HydrophobicContact CG1-CB 4.21Å; I154-A271 HydrophobicContact CG2-CB 4.47Å; I154-L272 HydrophobicContact CB-CD2 4.02Å; I154-L272 HydrophobicContact CB-CG 4.01Å; I154-L272 HydrophobicContact CD1-CD2 3.92Å; I154-L272 HydrophobicContact CD1-CG 3.9Å; I154-L272 HydrophobicContact CG2-CD1 4.13Å; I154-L272 HydrophobicContact CG2-CD2 4.41Å; I154-L272 HydrophobicContact CG2-CG 3.86Å
155N94.2Very high95.8Very high96 Ų9671.7 Ų71.751%0.51337%0.371SS..Hα-helixtrans-59.9-34179.3-77.2-23.1000111.7L151 D152 L157 H158L151-N155 WeakPolarHBondContact O-CB 3.49Å; L151-N155 PolarHBondContact O-N 3.31Å; L151-N155 PolarHBondContact O-ND2 2.89Å; D152-N155 PolarHBondContact O-N 3.27Å; N155-L157 PolarHBondContact O-N 3.27Å; N155-H158 PolarHBondContact O-N 3.27Å; N155-H158 VanDerWaalsContact O-N 3.11Å
156V94.1Very high95.8Very high102 Ų10276.7 Ų76.762%0.61839%0.394SS*.THydrogen-bonded Turntrans-66.4-14.8175.2-56.10000113.8K153 I154 H158K153-V156 VanDerWaalsContact O-CG2 3.25Å; K153-V156 WeakPolarHBondContact O-CG2 3.42Å; I154-V156 PolarHBondContact O-N 2.91Å; V156-H158 VanDerWaalsContact C-N 3.32Å; V156-H158 PolarHBondContact O-CD2 3.28Å; V156-H158 VanDerWaalsContact O-CD2 3.25Å
157L93.1Very high95.9Very high68 Ų6878.3 Ų78.336%0.35640%0.404SS..THydrogen-bonded Turntrans-81.2-14.9175.6-55.9175.6000112.1I154 N155 K159 L272I154-L157 HydrophobicContact CB-CD1 4.47Å; I154-L157 VanDerWaalsContact O-CB 3.23Å; I154-L157 WeakPolarHBondContact O-CB 3.2Å; I154-L157 PolarHBondContact O-N 3.45Å; N155-L157 PolarHBondContact O-N 3.27Å; L157-K159 HydrophobicContact CB-CD 4.32Å; L157-K159 HydrophobicContact CB-CG 4.05Å; L157-K159 PolarHBondContact O-N 3Å; L157-L272 HydrophobicContact CD1-CD1 4.3Å
158H94.9Very high95.9Very high170 Ų17079.7 Ų79.779%0.78741%0.411SS*.  trans48.734.5-179.8-59.2-77.3000114N155 V156N155-H158 PolarHBondContact O-N 3.27Å; N155-H158 VanDerWaalsContact O-N 3.11Å; V156-H158 VanDerWaalsContact C-N 3.32Å; V156-H158 PolarHBondContact O-CD2 3.28Å; V156-H158 VanDerWaalsContact O-CD2 3.25Å
159K95.5Very high96Very high60 Ų6084.9 Ų84.926%0.26143%0.432SS..PPolyproline II helixtrans-76.8137.2179.4-70.2-177.964.770.20110.2L157 Y162 D245 L272L157-K159 HydrophobicContact CB-CD 4.32Å; L157-K159 HydrophobicContact CB-CG 4.05Å; L157-K159 PolarHBondContact O-N 3Å; K159-Y162 WeakPolarHBondContact CE-OH 3.38Å; K159-D245 WeakPolarHBondContact CE-OD1 3.31Å; K159-D245 IonicContact NZ-OD1 3.89Å; K159-D245 PolarHBondContact NZ-OD1 3.47Å; K159-D245 IonicContact NZ-OD2 2.84Å; K159-D245 PolarHBondContact NZ-OD2 3.42Å; K159-L272 HydrophobicContact CB-CD2 4.21Å; K159-L272 HydrophobicContact CD-CD2 4.05Å
160P96.7Very high96.1Very high99 Ų9989 Ų8964%0.64345%0.453SS*.PPolyproline II helixtrans-67.3159.3171.430.6-34.9000110.5
161P97.8Very high96.3Very high123 Ų12388.7 Ų88.780%0.79945%0.451SS*.PPolyproline II helixtrans-56.3142.7166.8-21.533.1000111
162Y98.4Very high96.4Very high29 Ų2992.9 Ų92.911%0.11447%0.474CS..PPolyproline II helixtrans-74.7149.2176.7-66.6-80000112.2K159 A244 D245 H248 L272 R273 P274K159-Y162 WeakPolarHBondContact CE-OH 3.38Å; Y162-A244 HydrophobicContact CE2-CB 4.43Å; Y162-A244 VanDerWaalsContact OH-CB 3.23Å; Y162-A244 WeakPolarHBondContact OH-CB 3.16Å; Y162-D245 WeakPolarHBondContact CE1-OD1 3.48Å; Y162-D245 PolarHBondContact OH-N 2.91Å; Y162-D245 PolarHBondContact OH-OD1 2.63Å; Y162-H248 HydrophobicContact CD1-CB 3.61Å; Y162-H248 AromaticContact CD1-CD2 3.54Å; Y162-H248 AromaticContact CD1-CG 3.26Å; Y162-H248 AromaticContact CD1-ND1 3.61Å; Y162-H248 AromaticContact CD1-NE2 4Å; Y162-H248 HydrophobicContact CE1-CB 3.68Å; Y162-H248 AromaticContact CE1-CG 3.82Å; Y162-H248 HydrophobicContact CG-CB 4.27Å; Y162-H248 AromaticContact CG-CD2 3.79Å; Y162-H248 AromaticContact CG-CG 3.94Å; Y162-L272 VanDerWaalsContact CD2-O 3.25Å; Y162-L272 WeakPolarHBondContact CD2-O 3.05Å; Y162-L272 HydrophobicContact CE2-CB 4.21Å; Y162-L272 VanDerWaalsContact CE2-O 3.23Å; Y162-L272 WeakPolarHBondContact CE2-O 3.44Å; Y162-R273 WeakPolarHBondContact CD2-O 3.31Å; Y162-P274 HydrophobicContact CD2-CB 4.26Å; Y162-P274 HydrophobicContact CE2-CB 4.07Å
163E98.5Very high96.6Very high174 Ų17490.3 Ų90.381%0.81347%0.471SS*.PPolyproline II helixtrans-82116.5166.1-67.1-171.3174.700109.6H248E163-H248 PolarHBondContact O-NE2 3.18Å
164H98.6Very high96.9Very high51 Ų5186.8 Ų86.824%0.23645%0.454CS..PPolyproline II helixtrans-90.6148.8-178.5-59.6142.5000112.8R273 A275 P276H164-R273 PolarHBondContact NE2-O 2.89Å; H164-A275 PolarHBondContact NE2-O 3.44Å; H164-P276 HydrophobicContact CB-CB 3.7Å; H164-P276 HydrophobicContact CB-CG 3.97Å; H164-P276 WeakPolarHBondContact ND1-CA 3.42Å
165P97.4Very high97.1Very high35 Ų3586.1 Ų86.123%0.22745%0.451CS..PPolyproline II helixtrans-58.8140.3169.6-18.930.6000111W643P165-W643 WeakPolarHBondContact O-CH2 3.18Å
166K97.5Very high97.3Very high166 Ų16683.9 Ų83.972%0.72244%0.435SS*.  trans-109.6-8.2177.5-61.9-173.4-179.5-178.90113.6
167D98Very high97.5Very high60 Ų6079 Ų7932%0.32141%0.405SS..SBendtrans-149.9175.1178.863.350000109.4K169D167-K169 HydrophobicContact CB-CG 4.37Å; D167-K169 VanDerWaalsContact OD1-CB 3.24Å; D167-K169 WeakPolarHBondContact OD1-CB 3.45Å; D167-K169 VanDerWaalsContact OD1-CG 3.31Å; D167-K169 WeakPolarHBondContact OD1-CG 3.17Å; D167-K169 PolarHBondContact OD1-N 3.37Å; D167-K169 IonicContact OD2-NZ 3.26Å; D167-K169 PolarHBondContact OD2-NZ 2.87Å
168L98.4Very high97.8Very high29 Ų2975.8 Ų75.815%0.15239%0.388CS..SBendtrans-98.815.4-179.1-54.4-178.6000112.7S171 D172 G173 L175 H253 W643L168-S171 CarbonylContact O-C 3.58Å; L168-S171 PolarHBondContact O-N 3.07Å; L168-S171 PolarHBondContact O-OG 3.47Å; L168-S171 VanDerWaalsContact O-OG 3.11Å; L168-D172 PolarHBondContact O-N 2.91Å; L168-G173 WeakPolarHBondContact O-CA 3.46Å; L168-G173 PolarHBondContact O-N 3.46Å; L168-L175 HydrophobicContact CD2-CD1 3.75Å; L168-H253 WeakPolarHBondContact CD2-NE2 3.47Å; L168-W643 HydrophobicContact CD2-CD2 4.22Å; L168-W643 VanDerWaalsContact CD2-CE2 3.47Å; L168-W643 HydrophobicContact CD2-CH2 4.41Å; L168-W643 HydrophobicContact CD2-CZ2 3.57Å; L168-W643 HydrophobicContact CG-CZ2 4.13Å
169K97.5Very high98Very high158 Ų15867.7 Ų67.769%0.68735%0.351SS*.G310 helixtrans-68-40.4-172.2-63.6-175.6-169.397.10112.1D167 S171 D172D167-K169 HydrophobicContact CB-CG 4.37Å; D167-K169 VanDerWaalsContact OD1-CB 3.24Å; D167-K169 WeakPolarHBondContact OD1-CB 3.45Å; D167-K169 VanDerWaalsContact OD1-CG 3.31Å; D167-K169 WeakPolarHBondContact OD1-CG 3.17Å; D167-K169 PolarHBondContact OD1-N 3.37Å; D167-K169 IonicContact OD2-NZ 3.26Å; D167-K169 PolarHBondContact OD2-NZ 2.87Å; K169-S171 PolarHBondContact O-N 2.75Å; K169-D172 PolarHBondContact O-N 2.82Å
170L97Very high98.2Very high152 Ų15264.9 Ų64.980%0.79634%0.339SS*.G310 helixtrans-73.3-8179.3-65.6177.6000113.7R176L170-R176 PolarHBondContact O-NH2 2.96Å
171S98Very high98.3Very high1 Ų160.1 Ų60.11%0.00731%0.308CS..G310 helixtrans-116.721.2177.755.20000112.2L168 K169 G173 R174 H253L168-S171 CarbonylContact O-C 3.58Å; L168-S171 PolarHBondContact O-N 3.07Å; L168-S171 PolarHBondContact O-OG 3.47Å; L168-S171 VanDerWaalsContact O-OG 3.11Å; K169-S171 PolarHBondContact O-N 2.75Å; S171-G173 PolarHBondContact O-N 2.82Å; S171-R174 WeakPolarHBondContact CB-O 3.5Å; S171-R174 VanDerWaalsContact O-CB 3.3Å; S171-R174 WeakPolarHBondContact O-CB 3.38Å; S171-R174 PolarHBondContact O-N 2.84Å; S171-R174 PolarHBondContact OG-O 2.94Å; S171-H253 PolarHBondContact OG-CE1 3.17Å
172D97.8Very high98.3Very high139 Ų13955 Ų5574%0.74328%0.275SS*.THydrogen-bonded Turntrans55.537.1178.2-57.1-45.9000113.5L168 K169 R174L168-D172 PolarHBondContact O-N 2.91Å; K169-D172 PolarHBondContact O-N 2.82Å; D172-R174 PolarHBondContact O-N 3.23Å
173G97.7Very high98.3Very high46 Ų4654.2 Ų54.247%0.47427%0.273SS..THydrogen-bonded Turntrans79.6-0.5-177.400000114.5L168 S171L168-G173 WeakPolarHBondContact O-CA 3.46Å; L168-G173 PolarHBondContact O-N 3.46Å; S171-G173 PolarHBondContact O-N 2.82Å
174R98.8Very high98.3Very high51 Ų5146 Ų4619%0.19223%0.234CC..  trans-89137.7179.2-56.7-177.3-66.1151.92.4111.6S171 D172 R176 P202 K204 E206S171-R174 WeakPolarHBondContact CB-O 3.5Å; S171-R174 VanDerWaalsContact O-CB 3.3Å; S171-R174 WeakPolarHBondContact O-CB 3.38Å; S171-R174 PolarHBondContact O-N 2.84Å; S171-R174 PolarHBondContact OG-O 2.94Å; D172-R174 PolarHBondContact O-N 3.23Å; R174-R176 PolarHBondContact O-N 3.09Å; R174-P202 WeakPolarHBondContact CD-O 3.42Å; R174-K204 CarbonylContact C-O 3.59Å; R174-K204 VanDerWaalsContact CA-O 3.31Å; R174-K204 WeakPolarHBondContact CA-O 3.46Å; R174-E206 HydrophobicContact CB-CB 4.4Å; R174-E206 IonicContact CZ-OE1 2.77Å; R174-E206 IonicContact CZ-OE2 3.73Å; R174-E206 IonicContact NH1-OE1 3.49Å; R174-E206 IonicContact NH2-OE1 2.9Å; R174-E206 PolarHBondContact NH2-OE1 3.21Å; R174-E206 IonicContact NH2-OE2 2.66Å; R174-E206 PolarHBondContact NH2-OE2 3.14Å
175L98.9Very high98.3Very high0 Ų043.7 Ų43.70%023%0.225CC..EExtended strand (participates in β ladder)trans-80.6111.8171.5-169.270.1000109.9L168 V177 K204 F205 E206 H253 I254 W643L168-L175 HydrophobicContact CD2-CD1 3.75Å; L175-V177 HydrophobicContact CD2-CG2 4.41Å; L175-V177 HydrophobicContact CG-CG2 4.41Å; L175-V177 PolarHBondContact O-N 2.93Å; L175-K204 PolarHBondContact N-O 2.81Å; L175-F205 HydrophobicContact CB-CD1 3.98Å; L175-F205 HydrophobicContact CB-CE1 4.13Å; L175-F205 HydrophobicContact CD2-CD1 4.28Å; L175-F205 HydrophobicContact CD2-CE1 3.82Å; L175-F205 WeakPolarHBondContact O-CA 3.44Å; L175-E206 PolarHBondContact O-N 3.4Å; L175-H253 HydrophobicContact CD1-CB 3.51Å; L175-H253 HydrophobicContact CG-CB 4.33Å; L175-I254 HydrophobicContact CD2-CD1 3.83Å; L175-I254 HydrophobicContact CD2-CG1 4.4Å; L175-W643 HydrophobicContact CD1-CB 3.86Å; L175-W643 HydrophobicContact CD1-CD2 3.63Å; L175-W643 HydrophobicContact CD1-CE3 3.99Å; L175-W643 HydrophobicContact CD1-CG 3.54Å; L175-W643 HydrophobicContact CD2-CB 4.23Å
176R98.9Very high98.4Very high48 Ų4845.6 Ų45.618%0.18123%0.233CC..EExtended strand (participates in β ladder)trans-72.7117.5171.9-59.5-171.8171.7143.411.8111.9L170 R174 E206 F208 D250 G251 I252 H253 I254L170-R176 PolarHBondContact O-NH2 2.96Å; R174-R176 PolarHBondContact O-N 3.09Å; R176-E206 VanDerWaalsContact CA-O 3.31Å; R176-E206 WeakPolarHBondContact CA-O 3.27Å; R176-E206 HydrophobicContact CG-CB 4.17Å; R176-E206 IonicContact CZ-OE2 2.72Å; R176-E206 IonicContact NE-OE2 3.51Å; R176-E206 PolarHBondContact NE-OE2 2.83Å; R176-E206 IonicContact NH2-OE2 3.47Å; R176-F208 HydrophobicContact CB-CD2 4.33Å; R176-F208 HydrophobicContact CB-CE2 3.92Å; R176-F208 HydrophobicContact CG-CE2 3.82Å; R176-D250 WeakPolarHBondContact CD-O 3.17Å; R176-D250 PolarHBondContact NH1-O 3.16Å; R176-G251 WeakPolarHBondContact CD-O 3.5Å; R176-I252 HydrophobicContact CB-CD1 4.15Å; R176-H253 WeakPolarHBondContact CB-ND1 3.25Å; R176-H253 PolarHBondContact N-ND1 2.78Å; R176-H253 PolarHBondContact O-N 2.84Å; R176-I254 PolarHBondContact O-N 3.2Å
177V99Very high98.4Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-115.1127178.5-178.80000109.5L175 Y179 F205 E206 F208 I254 V256 Y639L175-V177 HydrophobicContact CD2-CG2 4.41Å; L175-V177 HydrophobicContact CG-CG2 4.41Å; L175-V177 PolarHBondContact O-N 2.93Å; V177-Y179 HydrophobicContact CG1-CD2 4.42Å; V177-Y179 HydrophobicContact CG1-CE1 4.41Å; V177-Y179 HydrophobicContact CG1-CE2 3.89Å; V177-F205 HydrophobicContact CG2-CD1 4.12Å; V177-E206 PolarHBondContact N-O 3.36Å; V177-F208 PolarHBondContact O-N 3.02Å; V177-I254 WeakPolarHBondContact CA-O 3.33Å; V177-V256 HydrophobicContact CG1-CG2 4.01Å; V177-Y639 HydrophobicContact CG1-CD2 4.43Å; V177-Y639 HydrophobicContact CG1-CE2 3.83Å; V177-Y639 HydrophobicContact CG2-CD2 3.9Å; V177-Y639 HydrophobicContact CG2-CE2 4.12Å
178G99Very high98.4Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-109110.9179.400000112.4F208 I254 L255 V256G178-F208 CarbonylContact C-O 3.55Å; G178-F208 VanDerWaalsContact CA-O 3.29Å; G178-F208 WeakPolarHBondContact CA-O 3.35Å; G178-I254 PolarHBondContact N-O 3.44Å; G178-L255 CarbonylContact O-C 3.44Å; G178-V256 PolarHBondContact O-N 3.32Å
179Y99Very high98.4Very high0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-88.6114.4172.8-67.1-73.8000110.8V177 H200 V207 F208 Y210 V256 M258 W281 L635 Y639V177-Y179 HydrophobicContact CG1-CD2 4.42Å; V177-Y179 HydrophobicContact CG1-CE1 4.41Å; V177-Y179 HydrophobicContact CG1-CE2 3.89Å; Y179-H200 AromaticContact CE2-NE2 3.82Å; Y179-H200 AromaticContact CZ-NE2 3.81Å; Y179-H200 PolarHBondContact OH-NE2 3.17Å; Y179-V207 HydrophobicContact CD2-CG1 3.86Å; Y179-V207 HydrophobicContact CE2-CG1 3.95Å; Y179-F208 PolarHBondContact N-O 2.93Å; Y179-Y210 PolarHBondContact O-N 3.21Å; Y179-V256 HydrophobicContact CD1-CB 3.79Å; Y179-V256 HydrophobicContact CD1-CG1 3.93Å; Y179-V256 HydrophobicContact CD1-CG2 4.1Å; Y179-V256 HydrophobicContact CE1-CB 4.12Å; Y179-V256 HydrophobicContact CE1-CG1 4.1Å; Y179-V256 HydrophobicContact CE1-CG2 3.99Å; Y179-M258 HydrophobicContact CD1-SD 3.86Å; Y179-M258 HydrophobicContact CG-SD 4.29Å; Y179-W281 AromaticContact CD1-CE3 3.9Å; Y179-W281 HydrophobicContact CD1-CE3 3.9Å; Y179-W281 AromaticContact CD1-CZ3 3.64Å; Y179-W281 HydrophobicContact CD1-CZ3 3.64Å; Y179-W281 AromaticContact CE1-CE3 3.7Å; Y179-W281 HydrophobicContact CE1-CE3 3.7Å; Y179-W281 HydrophobicContact CE1-CH2 4.18Å; Y179-W281 AromaticContact CE1-CZ3 3.39Å; Y179-W281 HydrophobicContact CE1-CZ3 3.39Å; Y179-L635 WeakPolarHBondContact OH-CD2 3.46Å; Y179-Y639 WeakPolarHBondContact CE1-OH 3.34Å; Y179-Y639 WeakPolarHBondContact OH-CE2 3.3Å; Y179-Y639 PolarHBondContact OH-OH 3.37Å
180V99Very high98.4Very high1 Ų132.4 Ų32.41%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-104.7118.7179.7-169.50000109.8Y210 L212 L255 V256 M258 L269 F270V180-Y210 WeakPolarHBondContact CA-O 3.11Å; V180-Y210 HydrophobicContact CG2-CD2 4.09Å; V180-Y210 HydrophobicContact CG2-CG 4.43Å; V180-L212 HydrophobicContact CG1-CD1 3.97Å; V180-L212 HydrophobicContact CG1-CD2 3.68Å; V180-L212 HydrophobicContact CG1-CG 3.9Å; V180-L255 HydrophobicContact CG2-CD1 3.47Å; V180-L255 VanDerWaalsContact CG2-CD1 3.47Å; V180-L255 HydrophobicContact CG2-CD2 4.2Å; V180-L255 HydrophobicContact CG2-CG 3.77Å; V180-V256 PolarHBondContact N-O 3.5Å; V180-M258 WeakPolarHBondContact O-CB 3.36Å; V180-M258 PolarHBondContact O-N 3.28Å; V180-M258 VanDerWaalsContact O-N 3.17Å; V180-L269 HydrophobicContact CG1-CD1 4.37Å; V180-F270 HydrophobicContact CB-CE2 3.94Å; V180-F270 HydrophobicContact CB-CZ 3.71Å; V180-F270 HydrophobicContact CG1-CE2 4.07Å; V180-F270 HydrophobicContact CG1-CZ 4.34Å; V180-F270 HydrophobicContact CG2-CE2 4.15Å; V180-F270 HydrophobicContact CG2-CZ 3.65Å
181S98.9Very high98.5Very high0 Ų025.7 Ų25.70%014%0.143CC..EExtended strand (participates in β ladder)trans-149.5141.3-179-167.90000112.9D183 Y210 A211 L212 N259S181-D183 WeakPolarHBondContact OG-CB 3.24Å; S181-D183 PolarHBondContact OG-N 3.34Å; S181-Y210 PolarHBondContact N-O 3.25Å; S181-A211 CarbonylContact O-C 3.57Å; S181-A211 WeakPolarHBondContact O-CA 3.36Å; S181-L212 PolarHBondContact O-N 3.35Å; S181-N259 VanDerWaalsContact CA-OD1 3.31Å; S181-N259 WeakPolarHBondContact CA-OD1 3.43Å
182S98.7Very high98.6Very high14 Ų1425.9 Ų25.910%0.09814%0.144CC..SBendtrans-78.9-0.916262.10000113.7S213 N259 K263S182-S213 WeakPolarHBondContact O-CB 3.43Å; S182-S213 PolarHBondContact O-OG 3.15Å; S182-N259 PolarHBondContact N-OD1 3.17Å; S182-N259 PolarHBondContact OG-ND2 3.25Å; S182-K263 PolarHBondContact OG-O 2.89Å
183D98.7Very high98.6Very high14 Ų1419.3 Ų19.38%0.07511%0.109CC..  trans-119.718.6-161-56.5-21.4000113S181 G185 H187 T189 S190S181-D183 WeakPolarHBondContact OG-CB 3.24Å; S181-D183 PolarHBondContact OG-N 3.34Å; D183-G185 PolarHBondContact O-N 3.02Å; D183-G185 VanDerWaalsContact O-N 3.1Å; D183-H187 HydrophobicContact CB-CB 3.83Å; D183-H187 WeakPolarHBondContact CB-ND1 3.44Å; D183-H187 VanDerWaalsContact CG-ND1 3.26Å; D183-H187 IonicContact OD1-CE1 3.98Å; D183-H187 IonicContact OD1-CG 2.81Å; D183-H187 IonicContact OD1-ND1 2.71Å; D183-H187 IonicContact OD2-CE1 3.97Å; D183-H187 PolarHBondContact OD2-CE1 3.13Å; D183-H187 IonicContact OD2-ND1 3.89Å; D183-H187 PolarHBondContact OD2-ND1 3.29Å; D183-T189 VanDerWaalsContact CB-CB 3.5Å; D183-T189 HydrophobicContact CB-CG2 4.07Å; D183-T189 WeakPolarHBondContact CB-OG1 3.21Å; D183-T189 PolarHBondContact OD2-OG1 3.35Å; D183-S190 PolarHBondContact O-OG 3.26Å
184F98.7Very high98.6Very high1 Ų117.5 Ų17.50%0.0049%0.088CC..SBendtrans-72.792.3165.2-62.1-46.9000109.4S190 M193 C209 A211 R221 V224 F231 M258F184-S190 WeakPolarHBondContact CA-OG 3.48Å; F184-M193 HydrophobicContact CE1-CE 4.05Å; F184-M193 HydrophobicContact CE1-SD 4.11Å; F184-C209 HydrophobicContact CE2-CB 3.95Å; F184-C209 HydrophobicContact CZ-CB 4.11Å; F184-A211 HydrophobicContact CD2-CB 4.04Å; F184-R221 WeakPolarHBondContact O-CD 3.38Å; F184-R221 PolarHBondContact O-NH1 2.71Å; F184-V224 HydrophobicContact CD1-CG1 3.94Å; F184-V224 HydrophobicContact CD1-CG2 4.28Å; F184-V224 HydrophobicContact CE1-CG1 4.15Å; F184-V224 HydrophobicContact CG-CG1 4.3Å; F184-F231 HydrophobicContact CB-CZ 4.43Å; F184-F231 HydrophobicContact CD2-CE2 4.24Å; F184-F231 HydrophobicContact CD2-CZ 4.33Å; F184-F231 HydrophobicContact CG-CE2 4.47Å; F184-M258 HydrophobicContact CE1-SD 4.38Å; F184-M258 HydrophobicContact CZ-SD 4.25Å
185G98.3Very high98.6Very high3 Ų315.2 Ų15.23%0.0318%0.08CC..SBendtrans159.8-161-168.900000111.2D183 H187 S190 D216 F220D183-G185 PolarHBondContact O-N 3.02Å; D183-G185 VanDerWaalsContact O-N 3.1Å; G185-H187 PolarHBondContact O-N 2.6Å; G185-S190 PolarHBondContact N-OG 3.14Å; G185-S190 VanDerWaalsContact N-OG 3.14Å; G185-S190 WeakPolarHBondContact O-CB 3.34Å; G185-S190 PolarHBondContact O-OG 3.18Å; G185-D216 WeakPolarHBondContact CA-OD2 3.42Å; G185-F220 WeakPolarHBondContact O-CB 3.43Å
186N98.1Very high98.6Very high74 Ų7415.2 Ų15.240%0.3968%0.08SC..SBendtrans-77.273177.3-173.718.3000112.3H191 D216 T218 F220N186-H191 PolarHBondContact OD1-CE1 3.33Å; N186-H191 PolarHBondContact OD1-NE2 2.83Å; N186-D216 PolarHBondContact N-OD2 2.82Å; N186-T218 HydrophobicContact CB-CG2 3.97Å; N186-T218 PolarHBondContact N-OG1 2.9Å; N186-F220 HydrophobicContact CB-CD2 3.82Å; N186-F220 HydrophobicContact CB-CE2 4Å
187H98.4Very high98.6Very high75 Ų7513 Ų1335%0.3477%0.072SC..SBendtrans-137.3150.1178.2-170.5-96.4000110D183 G185 T189 S190 H191D183-H187 HydrophobicContact CB-CB 3.83Å; D183-H187 WeakPolarHBondContact CB-ND1 3.44Å; D183-H187 VanDerWaalsContact CG-ND1 3.26Å; D183-H187 IonicContact OD1-CE1 3.98Å; D183-H187 IonicContact OD1-CG 2.81Å; D183-H187 IonicContact OD1-ND1 2.71Å; D183-H187 IonicContact OD2-CE1 3.97Å; D183-H187 PolarHBondContact OD2-CE1 3.13Å; D183-H187 IonicContact OD2-ND1 3.89Å; D183-H187 PolarHBondContact OD2-ND1 3.29Å; G185-H187 PolarHBondContact O-N 2.6Å; H187-T189 PolarHBondContact CE1-OG1 3.39Å; H187-T189 PolarHBondContact ND1-N 3.44Å; H187-T189 PolarHBondContact ND1-OG1 3.14Å; H187-T189 PolarHBondContact O-N 3.45Å; H187-S190 PolarHBondContact O-N 3.43Å; H187-H191 PolarHBondContact O-CD2 3.43Å; H187-H191 PolarHBondContact O-N 2.76Å; H187-H191 VanDerWaalsContact O-N 3.17Å
188P97.8Very high98.6Very high55 Ų5514.9 Ų14.936%0.3579%0.091SC..Hα-helixtrans-45.4-39.4176-3437.2000114.3S190 H191 L192 T550P188-S190 PolarHBondContact O-N 2.84Å; P188-H191 WeakPolarHBondContact O-CB 3.46Å; P188-H191 PolarHBondContact O-N 3.47Å; P188-H191 VanDerWaalsContact O-N 3.1Å; P188-L192 VanDerWaalsContact O-CG 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.21Å; P188-L192 PolarHBondContact O-N 2.94Å; P188-L192 VanDerWaalsContact O-N 3.12Å; P188-T550 HydrophobicContact CB-CG2 4.29Å
189T98.4Very high98.6Very high7 Ų717.3 Ų17.34%0.04310%0.103CC..Hα-helixtrans-50.4-54175.2-49.30000111.9D183 H187 H191 L192 M193 M258D183-T189 VanDerWaalsContact CB-CB 3.5Å; D183-T189 HydrophobicContact CB-CG2 4.07Å; D183-T189 WeakPolarHBondContact CB-OG1 3.21Å; D183-T189 PolarHBondContact OD2-OG1 3.35Å; H187-T189 PolarHBondContact CE1-OG1 3.39Å; H187-T189 PolarHBondContact ND1-N 3.44Å; H187-T189 PolarHBondContact ND1-OG1 3.14Å; H187-T189 PolarHBondContact O-N 3.45Å; T189-H191 PolarHBondContact O-N 3.46Å; T189-L192 PolarHBondContact O-N 2.73Å; T189-L192 VanDerWaalsContact O-N 3.14Å; T189-M193 HydrophobicContact CG2-CG 4.42Å; T189-M193 WeakPolarHBondContact O-CG 3.48Å; T189-M193 PolarHBondContact O-N 3.17Å; T189-M193 VanDerWaalsContact O-N 3.11Å; T189-M258 HydrophobicContact CG2-CE 3.45Å; T189-M258 VanDerWaalsContact CG2-CE 3.45Å
190S98.6Very high98.6Very high0 Ų018 Ų180%011%0.106CC..Hα-helixtrans-67.2-34.8178-69.30000112.6D183 F184 G185 H187 P188 L192 M193 Q194D183-S190 PolarHBondContact O-OG 3.26Å; F184-S190 WeakPolarHBondContact CA-OG 3.48Å; G185-S190 PolarHBondContact N-OG 3.14Å; G185-S190 VanDerWaalsContact N-OG 3.14Å; G185-S190 WeakPolarHBondContact O-CB 3.34Å; G185-S190 PolarHBondContact O-OG 3.18Å; H187-S190 PolarHBondContact O-N 3.43Å; P188-S190 PolarHBondContact O-N 2.84Å; S190-L192 PolarHBondContact O-N 2.81Å; S190-L192 VanDerWaalsContact O-N 3.1Å; S190-M193 PolarHBondContact O-N 3.46Å; S190-Q194 WeakPolarHBondContact O-CB 3.34Å; S190-Q194 VanDerWaalsContact O-CG 3.26Å; S190-Q194 WeakPolarHBondContact O-CG 3.27Å; S190-Q194 PolarHBondContact O-N 2.87Å
191H98.7Very high98.6Very high10 Ų1020.4 Ų20.45%0.04612%0.119CC..Hα-helixtrans-62.2-17.9175-53.2166.4000113N186 H187 P188 T189 F220 D326 M330N186-H191 PolarHBondContact OD1-CE1 3.33Å; N186-H191 PolarHBondContact OD1-NE2 2.83Å; H187-H191 PolarHBondContact O-CD2 3.43Å; H187-H191 PolarHBondContact O-N 2.76Å; H187-H191 VanDerWaalsContact O-N 3.17Å; P188-H191 WeakPolarHBondContact O-CB 3.46Å; P188-H191 PolarHBondContact O-N 3.47Å; P188-H191 VanDerWaalsContact O-N 3.1Å; T189-H191 PolarHBondContact O-N 3.46Å; H191-F220 AromaticContact CD2-CE1 3.69Å; H191-F220 AromaticContact CD2-CZ 3.65Å; H191-F220 AromaticContact NE2-CE2 3.69Å; H191-F220 AromaticContact NE2-CZ 3.65Å; H191-D326 VanDerWaalsContact O-CB 3.28Å; H191-D326 WeakPolarHBondContact O-CB 3.33Å; H191-D326 PolarHBondContact O-N 2.72Å; H191-M330 HydrophobicContact CB-CE 4.39Å; H191-M330 HydrophobicContact CB-SD 4.05Å
192L98.6Very high98.6Very high6 Ų623.8 Ų23.83%0.03114%0.141CC..Hα-helixtrans-96.5-44.9177.1-59.1177.1000112.7P188 T189 S190 L282 F323 I324 G325 D326 T550P188-L192 VanDerWaalsContact O-CG 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.21Å; P188-L192 PolarHBondContact O-N 2.94Å; P188-L192 VanDerWaalsContact O-N 3.12Å; T189-L192 PolarHBondContact O-N 2.73Å; T189-L192 VanDerWaalsContact O-N 3.14Å; S190-L192 PolarHBondContact O-N 2.81Å; S190-L192 VanDerWaalsContact O-N 3.1Å; L192-L282 HydrophobicContact CB-CD2 4.1Å; L192-L282 HydrophobicContact CD1-CD1 4.08Å; L192-L282 HydrophobicContact CD1-CD2 4.4Å; L192-L282 HydrophobicContact CD1-CG 4.31Å; L192-F323 HydrophobicContact CD1-CE1 3.71Å; L192-F323 HydrophobicContact CD1-CE2 4.47Å; L192-F323 HydrophobicContact CD1-CZ 3.58Å; L192-F323 HydrophobicContact CD2-CE1 3.97Å; L192-F323 HydrophobicContact CG-CE1 4.49Å; L192-I324 WeakPolarHBondContact CB-O 3.5Å; L192-I324 VanDerWaalsContact CD2-O 3.22Å; L192-I324 WeakPolarHBondContact CD2-O 3.48Å; L192-G325 CarbonylContact O-C 3.45Å; L192-D326 PolarHBondContact O-N 2.92Å; L192-T550 HydrophobicContact CD2-CG2 4.09Å
193M98.7Very high98.6Very high0 Ų029.4 Ų29.40%017%0.17CC..Hα-helixtrans-120.95.4-166.364.863.37400116.5F184 T189 S190 S195 I196 P197 M258 W281 L282F184-M193 HydrophobicContact CE1-CE 4.05Å; F184-M193 HydrophobicContact CE1-SD 4.11Å; T189-M193 HydrophobicContact CG2-CG 4.42Å; T189-M193 WeakPolarHBondContact O-CG 3.48Å; T189-M193 PolarHBondContact O-N 3.17Å; T189-M193 VanDerWaalsContact O-N 3.11Å; S190-M193 PolarHBondContact O-N 3.46Å; M193-S195 PolarHBondContact O-N 2.78Å; M193-I196 HydrophobicContact CB-CB 4.48Å; M193-I196 HydrophobicContact CB-CD1 3.84Å; M193-I196 HydrophobicContact CB-CG1 4.24Å; M193-I196 WeakPolarHBondContact O-CB 3.39Å; M193-I196 PolarHBondContact O-N 2.76Å; M193-P197 HydrophobicContact CE-CG 3.98Å; M193-P197 VanDerWaalsContact O-CD 3.31Å; M193-P197 WeakPolarHBondContact O-CD 3.43Å; M193-M258 HydrophobicContact CE-CE 3.62Å; M193-M258 HydrophobicContact CE-SD 4.18Å; M193-M258 HydrophobicContact CG-CE 3.52Å; M193-M258 HydrophobicContact SD-CE 3.62Å; M193-W281 HydrophobicContact CB-CH2 3.75Å; M193-W281 HydrophobicContact CB-CZ2 4.44Å; M193-W281 HydrophobicContact CB-CZ3 4.45Å; M193-W281 HydrophobicContact CE-CH2 4.15Å; M193-W281 HydrophobicContact CE-CZ3 3.94Å; M193-W281 HydrophobicContact CG-CH2 4.04Å; M193-W281 HydrophobicContact CG-CZ3 4.24Å; M193-L282 HydrophobicContact CB-CD2 3.87Å; M193-L282 HydrophobicContact CG-CD2 3.81Å
194Q98.7Very high98.6Very high8 Ų834.2 Ų34.24%0.03719%0.19CC..THydrogen-bonded Turntrans-55.3-24.9-175.462.1176.8-33.500115S190 F220 K223 V224 D326 M330S190-Q194 WeakPolarHBondContact O-CB 3.34Å; S190-Q194 VanDerWaalsContact O-CG 3.26Å; S190-Q194 WeakPolarHBondContact O-CG 3.27Å; S190-Q194 PolarHBondContact O-N 2.87Å; Q194-F220 VanDerWaalsContact OE1-CD1 3.29Å; Q194-K223 HydrophobicContact CB-CD 4.28Å; Q194-K223 HydrophobicContact CG-CD 4.03Å; Q194-K223 WeakPolarHBondContact O-CE 3.48Å; Q194-V224 HydrophobicContact CB-CG2 4.17Å; Q194-D326 VanDerWaalsContact CD-OD2 3.3Å; Q194-D326 HydrophobicContact CG-CB 4.14Å; Q194-D326 WeakPolarHBondContact CG-OD2 3.48Å; Q194-D326 PolarHBondContact NE2-OD2 2.83Å; Q194-M330 VanDerWaalsContact NE2-CG 3.32Å; Q194-M330 PolarHBondContact NE2-SD 3.47Å
195S98.8Very high98.6Very high3 Ų334.3 Ų34.32%0.02119%0.191CC..THydrogen-bonded Turntrans-86.2-15.3177.6-64.30000114.2M193 G198 M199 K223 D326M193-S195 PolarHBondContact O-N 2.78Å; S195-G198 PolarHBondContact O-N 3Å; S195-M199 WeakPolarHBondContact O-CB 3.43Å; S195-M199 VanDerWaalsContact O-CG 3.23Å; S195-M199 WeakPolarHBondContact O-CG 3.5Å; S195-M199 PolarHBondContact O-N 3.12Å; S195-K223 WeakPolarHBondContact OG-CE 3.31Å; S195-K223 PolarHBondContact OG-NZ 3.49Å; S195-D326 WeakPolarHBondContact CB-OD1 3.34Å; S195-D326 PolarHBondContact OG-OD1 2.94Å
196I98.9Very high98.6Very high0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-64.6-46.1-175.4-67.3-176.7000112M193 G198 M199 H200 W281 I324 Y631 T632 L635M193-I196 HydrophobicContact CB-CB 4.48Å; M193-I196 HydrophobicContact CB-CD1 3.84Å; M193-I196 HydrophobicContact CB-CG1 4.24Å; M193-I196 WeakPolarHBondContact O-CB 3.39Å; M193-I196 PolarHBondContact O-N 2.76Å; I196-G198 VanDerWaalsContact C-N 3.28Å; I196-G198 PolarHBondContact O-N 3.28Å; I196-M199 PolarHBondContact O-N 3.37Å; I196-H200 PolarHBondContact O-CD2 3.24Å; I196-H200 PolarHBondContact O-N 3.24Å; I196-W281 HydrophobicContact CD1-CH2 3.74Å; I196-W281 HydrophobicContact CD1-CZ2 3.75Å; I196-W281 HydrophobicContact CG2-CH2 4.36Å; I196-I324 HydrophobicContact CD1-CG1 4.45Å; I196-I324 HydrophobicContact CD1-CG2 3.96Å; I196-Y631 HydrophobicContact CD1-CD1 3.58Å; I196-Y631 HydrophobicContact CD1-CE1 3.63Å; I196-T632 HydrophobicContact CG2-CG2 4.24Å; I196-L635 HydrophobicContact CG2-CD2 4.3Å
197P98.8Very high98.6Very high3 Ų331.4 Ų31.42%0.01917%0.174CC..Hα-helixtrans-52.6-42.9177.6-30.237.5000113.8M193 M199 V207 V224 A228M193-P197 HydrophobicContact CE-CG 3.98Å; M193-P197 VanDerWaalsContact O-CD 3.31Å; M193-P197 WeakPolarHBondContact O-CD 3.43Å; P197-M199 VanDerWaalsContact C-N 3.32Å; P197-M199 PolarHBondContact O-N 3.09Å; P197-V207 HydrophobicContact CB-CG1 4.11Å; P197-V224 HydrophobicContact CG-CG1 4.3Å; P197-A228 HydrophobicContact CB-CB 4.3Å
198G98.6Very high98.7Very high39 Ų3928.1 Ų28.140%0.40216%0.159SC..Hα-helixtrans-78.3-9.9178.400000115.5S195 I196S195-G198 PolarHBondContact O-N 3Å; I196-G198 VanDerWaalsContact C-N 3.28Å; I196-G198 PolarHBondContact O-N 3.28Å
199M98.7Very high98.7Very high51 Ų5125.5 Ų25.525%0.25114%0.142SC..Hα-helixtrans-96.7-8.8-179.2-77.2-177.6178.500113.7S195 I196 P197 T628 K629 T632S195-M199 WeakPolarHBondContact O-CB 3.43Å; S195-M199 VanDerWaalsContact O-CG 3.23Å; S195-M199 WeakPolarHBondContact O-CG 3.5Å; S195-M199 PolarHBondContact O-N 3.12Å; I196-M199 PolarHBondContact O-N 3.37Å; P197-M199 VanDerWaalsContact C-N 3.32Å; P197-M199 PolarHBondContact O-N 3.09Å; M199-T628 WeakPolarHBondContact CE-OG1 3.31Å; M199-T628 VanDerWaalsContact SD-C 3.54Å; M199-T628 PolarHBondContact SD-OG1 2.9Å; M199-T628 VanDerWaalsContact SD-OG1 3.38Å; M199-K629 HydrophobicContact CB-CD 4.23Å; M199-K629 HydrophobicContact CG-CD 4.35Å; M199-K629 PolarHBondContact O-NZ 3.25Å; M199-K629 HydrophobicContact SD-CB 4.07Å; M199-K629 PolarHBondContact SD-N 3.4Å; M199-T632 HydrophobicContact CB-CG2 3.96Å
200H98.8Very high98.7Very high13 Ų1325.1 Ų25.16%0.0614%0.139CC..SBendtrans-61144.2174.8-87.2-68.6000111.9Y179 I196 P202 F205 V207 E636Y179-H200 AromaticContact CE2-NE2 3.82Å; Y179-H200 AromaticContact CZ-NE2 3.81Å; Y179-H200 PolarHBondContact OH-NE2 3.17Å; I196-H200 PolarHBondContact O-CD2 3.24Å; I196-H200 PolarHBondContact O-N 3.24Å; H200-P202 VanDerWaalsContact O-CD 3.23Å; H200-P202 WeakPolarHBondContact O-CD 3.47Å; H200-F205 HydrophobicContact CB-CB 4.33Å; H200-V207 HydrophobicContact CB-CG2 3.56Å; H200-V207 VanDerWaalsContact CD2-CG2 3.43Å; H200-V207 WeakPolarHBondContact CD2-CG2 3.28Å; H200-E636 WeakPolarHBondContact CA-OE1 3.27Å; H200-E636 IonicContact CE1-OE1 3.56Å; H200-E636 IonicContact CG-OE1 3.9Å; H200-E636 VanDerWaalsContact ND1-CG 3.33Å; H200-E636 WeakPolarHBondContact ND1-CG 3.34Å; H200-E636 IonicContact ND1-OE1 2.86Å; H200-E636 PolarHBondContact ND1-OE1 3.49Å
201N98.7Very high98.8Very high52 Ų5225.1 Ų25.128%0.27814%0.139SC..  trans-73.9109.1174.9-179.91.7000110D203 K204 F205 E636N201-D203 PolarHBondContact O-N 3.04Å; N201-D203 VanDerWaalsContact O-N 3.14Å; N201-D203 WeakPolarHBondContact OD1-CB 3.49Å; N201-D203 PolarHBondContact OD1-N 3.03Å; N201-K204 PolarHBondContact O-N 3.48Å; N201-K204 VanDerWaalsContact O-N 3.12Å; N201-F205 HydrophobicContact CB-CD2 4.37Å; N201-F205 PolarHBondContact O-N 2.87Å; N201-E636 PolarHBondContact N-OE1 3.27Å
202P98.4Very high98.8Very high72 Ų7225.5 Ų25.547%0.46814%0.142SC..THydrogen-bonded Turntrans-66.1-18.1-176.229.9-36.8000113.5R174 H200 K204R174-P202 WeakPolarHBondContact CD-O 3.42Å; H200-P202 VanDerWaalsContact O-CD 3.23Å; H200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-K204 VanDerWaalsContact C-N 3.29Å
203D98.4Very high98.7Very high131 Ų13126.4 Ų26.470%0.70115%0.148SC*.THydrogen-bonded Turntrans-73.3-23.7177.9-62-20.5000112.3N201N201-D203 PolarHBondContact O-N 3.04Å; N201-D203 VanDerWaalsContact O-N 3.14Å; N201-D203 WeakPolarHBondContact OD1-CB 3.49Å; N201-D203 PolarHBondContact OD1-N 3.03Å
204K98.7Very high98.7Very high116 Ų11630.3 Ų30.350%0.50417%0.174SC..THydrogen-bonded Turntrans-121.7-17.5-177.1-67.5-158.2178.9-169.90114.1R174 L175 N201 P202R174-K204 CarbonylContact C-O 3.59Å; R174-K204 VanDerWaalsContact CA-O 3.31Å; R174-K204 WeakPolarHBondContact CA-O 3.46Å; L175-K204 PolarHBondContact N-O 2.81Å; N201-K204 PolarHBondContact O-N 3.48Å; N201-K204 VanDerWaalsContact O-N 3.12Å; P202-K204 VanDerWaalsContact C-N 3.29Å
205F98.9Very high98.7Very high2 Ų233.9 Ų33.91%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-130.9146.2-175.6-62.1-91.4000110.8L175 V177 H200 N201 E636 Y639 L640L175-F205 HydrophobicContact CB-CD1 3.98Å; L175-F205 HydrophobicContact CB-CE1 4.13Å; L175-F205 HydrophobicContact CD2-CD1 4.28Å; L175-F205 HydrophobicContact CD2-CE1 3.82Å; L175-F205 WeakPolarHBondContact O-CA 3.44Å; V177-F205 HydrophobicContact CG2-CD1 4.12Å; H200-F205 HydrophobicContact CB-CB 4.33Å; N201-F205 HydrophobicContact CB-CD2 4.37Å; N201-F205 PolarHBondContact O-N 2.87Å; F205-E636 HydrophobicContact CD1-CG 4.33Å; F205-E636 HydrophobicContact CD2-CB 4.35Å; F205-E636 HydrophobicContact CD2-CG 3.72Å; F205-E636 VanDerWaalsContact CD2-OE1 3.25Å; F205-E636 WeakPolarHBondContact CD2-OE1 3.48Å; F205-E636 HydrophobicContact CE1-CB 4.12Å; F205-E636 HydrophobicContact CE1-CG 3.99Å; F205-E636 HydrophobicContact CE2-CB 3.49Å; F205-E636 VanDerWaalsContact CE2-CB 3.49Å; F205-E636 VanDerWaalsContact CE2-CD 3.44Å; F205-E636 HydrophobicContact CE2-CG 3.36Å; F205-E636 HydrophobicContact CG-CG 4.21Å; F205-E636 HydrophobicContact CZ-CB 3.35Å; F205-E636 HydrophobicContact CZ-CG 3.52Å; F205-E636 WeakPolarHBondContact CZ-O 3.28Å; F205-Y639 HydrophobicContact CE1-CD2 4.28Å; F205-L640 HydrophobicContact CZ-CD1 4.1Å; F205-L640 HydrophobicContact CZ-CD2 4.27Å; F205-L640 HydrophobicContact CZ-CG 3.89Å
206E98.9Very high98.6Very high16 Ų1637.4 Ų37.48%0.07521%0.212CC..EExtended strand (participates in β ladder)trans-126.6116.2169.9-174.6175.1-142.200108.3R174 L175 R176 V177 F208 N229 H230R174-E206 HydrophobicContact CB-CB 4.4Å; R174-E206 IonicContact CZ-OE1 2.77Å; R174-E206 IonicContact CZ-OE2 3.73Å; R174-E206 IonicContact NH1-OE1 3.49Å; R174-E206 IonicContact NH2-OE1 2.9Å; R174-E206 PolarHBondContact NH2-OE1 3.21Å; R174-E206 IonicContact NH2-OE2 2.66Å; R174-E206 PolarHBondContact NH2-OE2 3.14Å; L175-E206 PolarHBondContact O-N 3.4Å; R176-E206 VanDerWaalsContact CA-O 3.31Å; R176-E206 WeakPolarHBondContact CA-O 3.27Å; R176-E206 HydrophobicContact CG-CB 4.17Å; R176-E206 IonicContact CZ-OE2 2.72Å; R176-E206 IonicContact NE-OE2 3.51Å; R176-E206 PolarHBondContact NE-OE2 2.83Å; R176-E206 IonicContact NH2-OE2 3.47Å; V177-E206 PolarHBondContact N-O 3.36Å; E206-F208 HydrophobicContact CB-CE2 4.23Å; E206-F208 HydrophobicContact CG-CD2 4.4Å; E206-F208 HydrophobicContact CG-CE2 3.59Å; E206-F208 HydrophobicContact CG-CZ 4.13Å; E206-N229 WeakPolarHBondContact CA-OD1 3.23Å; E206-N229 HydrophobicContact CG-CB 4.24Å; E206-H230 IonicContact OE1-CD2 3.68Å; E206-H230 IonicContact OE1-CE1 3.52Å; E206-H230 IonicContact OE1-NE2 3.46Å; E206-H230 PolarHBondContact OE1-NE2 2.74Å
207V98.9Very high98.6Very high0 Ų040 Ų400%024%0.239CC..EExtended strand (participates in β ladder)trans-97.4126.3-169-177.30000111Y179 P197 H200 A228 N229 H230Y179-V207 HydrophobicContact CD2-CG1 3.86Å; Y179-V207 HydrophobicContact CE2-CG1 3.95Å; P197-V207 HydrophobicContact CB-CG1 4.11Å; H200-V207 HydrophobicContact CB-CG2 3.56Å; H200-V207 VanDerWaalsContact CD2-CG2 3.43Å; H200-V207 WeakPolarHBondContact CD2-CG2 3.28Å; V207-A228 HydrophobicContact CG1-CB 4.44Å; V207-N229 PolarHBondContact N-OD1 3.27Å; V207-N229 WeakPolarHBondContact O-CB 3.34Å; V207-N229 PolarHBondContact O-N 3.09Å; V207-H230 PolarHBondContact O-N 3.47Å
208F98.9Very high98.6Very high6 Ų640.7 Ų40.73%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-114.5126173.2-64.7-107.4000108.9R176 V177 G178 Y179 E206 Y210 H230 I232 D250 I252R176-F208 HydrophobicContact CB-CD2 4.33Å; R176-F208 HydrophobicContact CB-CE2 3.92Å; R176-F208 HydrophobicContact CG-CE2 3.82Å; V177-F208 PolarHBondContact O-N 3.02Å; G178-F208 CarbonylContact C-O 3.55Å; G178-F208 VanDerWaalsContact CA-O 3.29Å; G178-F208 WeakPolarHBondContact CA-O 3.35Å; Y179-F208 PolarHBondContact N-O 2.93Å; E206-F208 HydrophobicContact CB-CE2 4.23Å; E206-F208 HydrophobicContact CG-CD2 4.4Å; E206-F208 HydrophobicContact CG-CE2 3.59Å; E206-F208 HydrophobicContact CG-CZ 4.13Å; F208-Y210 HydrophobicContact CB-CD2 4.42Å; F208-Y210 HydrophobicContact CB-CE2 3.67Å; F208-H230 CarbonylContact C-O 3.47Å; F208-H230 WeakPolarHBondContact CA-O 3.39Å; F208-H230 HydrophobicContact CD1-CB 3.51Å; F208-H230 AromaticContact CD1-CD2 3.84Å; F208-H230 AromaticContact CD1-CG 3.83Å; F208-H230 HydrophobicContact CE1-CB 3.75Å; F208-H230 AromaticContact CE1-CD2 3.34Å; F208-H230 WeakPolarHBondContact CE1-CD2 3.42Å; F208-H230 AromaticContact CE1-CG 3.52Å; F208-H230 AromaticContact CE2-CD2 3.75Å; F208-H230 HydrophobicContact CG-CB 4.08Å; F208-H230 AromaticContact CZ-CD2 3.29Å; F208-H230 WeakPolarHBondContact CZ-CD2 3.3Å; F208-H230 AromaticContact CZ-CG 3.98Å; F208-H230 AromaticContact CZ-NE2 3.74Å; F208-I232 HydrophobicContact CB-CD1 4.25Å; F208-I232 HydrophobicContact CD1-CD1 3.88Å; F208-D250 HydrophobicContact CD1-CB 3.97Å; F208-D250 HydrophobicContact CE1-CB 3.71Å; F208-D250 HydrophobicContact CZ-CB 4.36Å; F208-I252 HydrophobicContact CB-CD1 3.83Å; F208-I252 HydrophobicContact CD1-CD1 4.11Å; F208-I252 HydrophobicContact CD2-CD1 3.44Å; F208-I252 VanDerWaalsContact CD2-CD1 3.44Å; F208-I252 HydrophobicContact CE2-CD1 3.99Å; F208-I252 HydrophobicContact CG-CD1 3.53Å
209C98.9Very high98.6Very high0 Ų040.9 Ų40.90%023%0.234CC..EExtended strand (participates in β ladder)trans-107.7118.6172-74.30000109.8F184 V224 A228 H230 F231 I232F184-C209 HydrophobicContact CE2-CB 3.95Å; F184-C209 HydrophobicContact CZ-CB 4.11Å; C209-V224 HydrophobicContact CB-CG1 4.03Å; C209-A228 HydrophobicContact CB-CB 4.12Å; C209-H230 PolarHBondContact N-O 3.44Å; C209-F231 HydrophobicContact CB-CD2 3.64Å; C209-F231 HydrophobicContact CB-CE2 3.92Å; C209-F231 HydrophobicContact CB-CG 4.5Å; C209-I232 PolarHBondContact O-N 3.08Å
210Y99Very high98.6Very high0 Ų038.5 Ų38.50%022%0.223CC..EExtended strand (participates in β ladder)trans-103.7101.1178.9-63.9-79.3000110.1Y179 V180 S181 F208 I232 L234 I247 D250 I252 L255Y179-Y210 PolarHBondContact O-N 3.21Å; V180-Y210 WeakPolarHBondContact CA-O 3.11Å; V180-Y210 HydrophobicContact CG2-CD2 4.09Å; V180-Y210 HydrophobicContact CG2-CG 4.43Å; S181-Y210 PolarHBondContact N-O 3.25Å; F208-Y210 HydrophobicContact CB-CD2 4.42Å; F208-Y210 HydrophobicContact CB-CE2 3.67Å; Y210-I232 CarbonylContact C-O 3.3Å; Y210-I232 WeakPolarHBondContact CA-O 3.29Å; Y210-I232 HydrophobicContact CD1-CB 3.62Å; Y210-I232 HydrophobicContact CD1-CD1 4.13Å; Y210-I232 HydrophobicContact CD1-CG1 4.09Å; Y210-I232 HydrophobicContact CD1-CG2 3.88Å; Y210-I232 HydrophobicContact CE1-CB 3.88Å; Y210-I232 HydrophobicContact CE1-CD1 3.76Å; Y210-I232 HydrophobicContact CE1-CG1 3.81Å; Y210-I232 HydrophobicContact CE1-CG2 4.1Å; Y210-L234 HydrophobicContact CD1-CD1 3.88Å; Y210-L234 HydrophobicContact CD1-CD2 4.26Å; Y210-L234 HydrophobicContact CD1-CG 4.04Å; Y210-L234 HydrophobicContact CG-CD1 4.17Å; Y210-I247 HydrophobicContact CD1-CG1 3.97Å; Y210-I247 HydrophobicContact CE1-CG1 3.74Å; Y210-I247 HydrophobicContact CE2-CG1 4.28Å; Y210-I247 HydrophobicContact CE2-CG2 4.49Å; Y210-I247 HydrophobicContact CG-CG1 4.35Å; Y210-D250 WeakPolarHBondContact CE1-OD2 3.25Å; Y210-D250 VanDerWaalsContact OH-CB 3.26Å; Y210-D250 WeakPolarHBondContact OH-CB 3.3Å; Y210-D250 PolarHBondContact OH-OD2 3.24Å; Y210-I252 HydrophobicContact CE2-CD1 4.14Å; Y210-I252 HydrophobicContact CE2-CG1 4.04Å; Y210-I252 WeakPolarHBondContact OH-CD1 3.16Å; Y210-I252 WeakPolarHBondContact OH-CG1 3.41Å; Y210-L255 HydrophobicContact CD2-CD1 4.25Å; Y210-L255 HydrophobicContact CE2-CD1 4.19Å
211A98.9Very high98.6Very high0 Ų038 Ų380%022%0.22CC..EExtended strand (participates in β ladder)trans-80.2125.3177.300000111.4S181 F184 R221 F231 I232 L234 S235S181-A211 CarbonylContact O-C 3.57Å; S181-A211 WeakPolarHBondContact O-CA 3.36Å; F184-A211 HydrophobicContact CD2-CB 4.04Å; A211-R221 VanDerWaalsContact CB-NH2 3.35Å; A211-F231 HydrophobicContact CB-CE1 3.76Å; A211-F231 HydrophobicContact CB-CZ 3.6Å; A211-I232 PolarHBondContact N-O 3.09Å; A211-L234 WeakPolarHBondContact O-CA 3.3Å; A211-L234 WeakPolarHBondContact O-CB 3.47Å; A211-L234 PolarHBondContact O-N 3.44Å; A211-S235 PolarHBondContact O-N 3.35Å
212L98.7Very high98.6Very high18 Ų1839.2 Ų39.29%0.09423%0.229CC..SBendtrans-88.7-10.1171.6-50.7-176.6000112.2V180 S181 L234 R266 L269V180-L212 HydrophobicContact CG1-CD1 3.97Å; V180-L212 HydrophobicContact CG1-CD2 3.68Å; V180-L212 HydrophobicContact CG1-CG 3.9Å; S181-L212 PolarHBondContact O-N 3.35Å; L212-L234 HydrophobicContact CD2-CB 4.12Å; L212-L234 HydrophobicContact CD2-CD1 4.03Å; L212-R266 HydrophobicContact CD1-CB 3.99Å; L212-R266 HydrophobicContact CD1-CG 4.3Å; L212-R266 HydrophobicContact CD2-CB 4.5Å; L212-L269 HydrophobicContact CD2-CD1 3.76Å
213S97.9Very high98.6Very high24 Ų2437.7 Ų37.717%0.16822%0.215CC..SBendtrans-111.4147.9178.654.80000112.2S182 R221S182-S213 WeakPolarHBondContact O-CB 3.43Å; S182-S213 PolarHBondContact O-OG 3.15Å; S213-R221 PolarHBondContact O-NH1 3.21Å; S213-R221 VanDerWaalsContact O-NH1 3.11Å; S213-R221 PolarHBondContact O-NH2 3.02Å; S213-R221 VanDerWaalsContact O-NH2 3.09Å
214P97.9Very high98.6Very high83 Ų8331.4 Ų31.454%0.53918%0.182SC..  trans-62.7160.8170.829.9-35.6000110.5D216P214-D216 PolarHBondContact O-N 3.09Å
215D98.4Very high98.6Very high83 Ų8329.9 Ų29.944%0.44418%0.178SC..  trans-61.1126.7173.2-168.6-13.3000110.5G217 R221D215-G217 WeakPolarHBondContact OD1-CA 3.32Å; D215-G217 PolarHBondContact OD1-N 3.41Å; D215-R221 HydrophobicContact CB-CG 4.33Å; D215-R221 WeakPolarHBondContact OD1-CG 3.22Å
216D98.1Very high98.6Very high77 Ų7733.7 Ų33.741%0.41221%0.209SC..  trans-94.40.517869.7-1.3000113.1G185 N186 P214 T218G185-D216 WeakPolarHBondContact CA-OD2 3.42Å; N186-D216 PolarHBondContact N-OD2 2.82Å; P214-D216 PolarHBondContact O-N 3.09Å; D216-T218 VanDerWaalsContact C-N 3.27Å; D216-T218 PolarHBondContact O-N 2.85Å; D216-T218 WeakPolarHBondContact OD1-CB 3.4Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.45Å; D216-T218 PolarHBondContact OD1-N 3.25Å; D216-T218 PolarHBondContact OD1-OG1 3.01Å; D216-T218 PolarHBondContact OD2-OG1 2.86Å
217G98Very high98.6Very high55 Ų5536.4 Ų36.457%0.56722%0.222SC*.  trans76.86.8178.500000114.7D215D215-G217 WeakPolarHBondContact OD1-CA 3.32Å; D215-G217 PolarHBondContact OD1-N 3.41Å
218T98.6Very high98.6Very high16 Ų1636.9 Ų36.910%0.09823%0.226CC..  trans-86.8154-176.167.40000112.8N186 D216 F220 R221 V222 E440N186-T218 HydrophobicContact CB-CG2 3.97Å; N186-T218 PolarHBondContact N-OG1 2.9Å; D216-T218 VanDerWaalsContact C-N 3.27Å; D216-T218 PolarHBondContact O-N 2.85Å; D216-T218 WeakPolarHBondContact OD1-CB 3.4Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.45Å; D216-T218 PolarHBondContact OD1-N 3.25Å; D216-T218 PolarHBondContact OD1-OG1 3.01Å; D216-T218 PolarHBondContact OD2-OG1 2.86Å; T218-F220 PolarHBondContact O-N 2.92Å; T218-F220 VanDerWaalsContact O-N 3.11Å; T218-R221 PolarHBondContact O-N 3.33Å; T218-R221 VanDerWaalsContact O-N 3.08Å; T218-V222 WeakPolarHBondContact O-CG2 3.42Å; T218-V222 PolarHBondContact O-N 3.41Å; T218-V222 VanDerWaalsContact O-N 3.12Å; T218-E440 VanDerWaalsContact CA-OE2 3.27Å; T218-E440 WeakPolarHBondContact CA-OE2 3.45Å; T218-E440 WeakPolarHBondContact CB-OE2 3.18Å
219N98.6Very high98.6Very high43 Ų4340 Ų4023%0.2324%0.243CC..Hα-helixtrans-60.4-24.4178.3-69.9-1.5000112.5V222 K223 K435 E440N219-V222 PolarHBondContact O-N 2.76Å; N219-K223 WeakPolarHBondContact O-CB 3.47Å; N219-K223 PolarHBondContact O-N 2.89Å; N219-K435 PolarHBondContact OD1-NZ 2.81Å; N219-E440 HydrophobicContact CB-CB 3.8Å; N219-E440 HydrophobicContact CB-CG 4.09Å; N219-E440 PolarHBondContact N-OE2 2.91Å; N219-E440 PolarHBondContact ND2-O 3.18Å
220F98.6Very high98.6Very high1 Ų143.3 Ų43.30%0.00426%0.258CS..Hα-helixtrans-60.3-50.2173.8-56.5-63.8000111.3G185 N186 H191 Q194 T218 K223 V224 M330 E440G185-F220 WeakPolarHBondContact O-CB 3.43Å; N186-F220 HydrophobicContact CB-CD2 3.82Å; N186-F220 HydrophobicContact CB-CE2 4Å; H191-F220 AromaticContact CD2-CE1 3.69Å; H191-F220 AromaticContact CD2-CZ 3.65Å; H191-F220 AromaticContact NE2-CE2 3.69Å; H191-F220 AromaticContact NE2-CZ 3.65Å; Q194-F220 VanDerWaalsContact OE1-CD1 3.29Å; T218-F220 PolarHBondContact O-N 2.92Å; T218-F220 VanDerWaalsContact O-N 3.11Å; F220-K223 PolarHBondContact O-N 2.72Å; F220-V224 WeakPolarHBondContact O-CG2 3.5Å; F220-V224 PolarHBondContact O-N 2.94Å; F220-M330 HydrophobicContact CE1-CE 3.51Å; F220-M330 HydrophobicContact CE1-SD 4.17Å; F220-M330 HydrophobicContact CZ-CE 3.74Å; F220-E440 HydrophobicContact CD2-CG 3.94Å; F220-E440 HydrophobicContact CE2-CG 3.48Å; F220-E440 VanDerWaalsContact CE2-CG 3.48Å; F220-E440 HydrophobicContact CZ-CG 3.9Å
221R98.6Very high98.6Very high3 Ų345.6 Ų45.61%0.01127%0.268CS..Hα-helixtrans-64.3-44.3176.8179.451.4164.6-110.6-0.4110.9F184 A211 S213 D215 T218 K223 V224 M225 F231F184-R221 WeakPolarHBondContact O-CD 3.38Å; F184-R221 PolarHBondContact O-NH1 2.71Å; A211-R221 VanDerWaalsContact CB-NH2 3.35Å; S213-R221 PolarHBondContact O-NH1 3.21Å; S213-R221 VanDerWaalsContact O-NH1 3.11Å; S213-R221 PolarHBondContact O-NH2 3.02Å; S213-R221 VanDerWaalsContact O-NH2 3.09Å; D215-R221 HydrophobicContact CB-CG 4.33Å; D215-R221 WeakPolarHBondContact OD1-CG 3.22Å; T218-R221 PolarHBondContact O-N 3.33Å; T218-R221 VanDerWaalsContact O-N 3.08Å; R221-K223 PolarHBondContact O-N 2.82Å; R221-V224 PolarHBondContact O-N 3.31Å; R221-M225 HydrophobicContact CG-SD 3.85Å; R221-M225 WeakPolarHBondContact O-CB 3.27Å; R221-M225 VanDerWaalsContact O-CG 3.3Å; R221-M225 WeakPolarHBondContact O-CG 3.36Å; R221-M225 PolarHBondContact O-N 3.01Å; R221-F231 VanDerWaalsContact CZ-CZ 3.43Å
222V98.7Very high98.6Very high77 Ų7745.9 Ų45.947%0.46727%0.27SS..Hα-helixtrans-56.6-46.8176.6174.90000111.7T218 N219 M225 A226T218-V222 WeakPolarHBondContact O-CG2 3.42Å; T218-V222 PolarHBondContact O-N 3.41Å; T218-V222 VanDerWaalsContact O-N 3.12Å; N219-V222 PolarHBondContact O-N 2.76Å; V222-M225 PolarHBondContact O-N 2.95Å; V222-A226 WeakPolarHBondContact O-CB 3.47Å; V222-A226 PolarHBondContact O-N 2.84Å
223K98.8Very high98.6Very high40 Ų4047.1 Ų47.117%0.17428%0.276CS..Hα-helixtrans-60.9-50.3-179.8-179.2177.7165.466.80111.6Q194 S195 N219 F220 R221 M225 A226 E227Q194-K223 HydrophobicContact CB-CD 4.28Å; Q194-K223 HydrophobicContact CG-CD 4.03Å; Q194-K223 WeakPolarHBondContact O-CE 3.48Å; S195-K223 WeakPolarHBondContact OG-CE 3.31Å; S195-K223 PolarHBondContact OG-NZ 3.49Å; N219-K223 WeakPolarHBondContact O-CB 3.47Å; N219-K223 PolarHBondContact O-N 2.89Å; F220-K223 PolarHBondContact O-N 2.72Å; R221-K223 PolarHBondContact O-N 2.82Å; K223-M225 VanDerWaalsContact C-N 3.32Å; K223-M225 PolarHBondContact O-N 2.94Å; K223-A226 PolarHBondContact O-N 2.72Å; K223-A226 VanDerWaalsContact O-N 3.16Å; K223-E227 WeakPolarHBondContact CE-OE2 3.15Å; K223-E227 HydrophobicContact CG-CG 4.35Å; K223-E227 IonicContact NZ-OE1 2.82Å; K223-E227 PolarHBondContact NZ-OE1 3.06Å; K223-E227 IonicContact NZ-OE2 3.56Å; K223-E227 PolarHBondContact NZ-OE2 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.36Å; K223-E227 WeakPolarHBondContact O-CG 3.44Å; K223-E227 PolarHBondContact O-N 3.29Å
224V98.7Very high98.6Very high0 Ų046 Ų460%027%0.268CS..Hα-helixtrans-63.7-39.4-179.5-179.10000111.3F184 Q194 P197 C209 F220 R221 A226 A228 F231F184-V224 HydrophobicContact CD1-CG1 3.94Å; F184-V224 HydrophobicContact CD1-CG2 4.28Å; F184-V224 HydrophobicContact CE1-CG1 4.15Å; F184-V224 HydrophobicContact CG-CG1 4.3Å; Q194-V224 HydrophobicContact CB-CG2 4.17Å; P197-V224 HydrophobicContact CG-CG1 4.3Å; C209-V224 HydrophobicContact CB-CG1 4.03Å; F220-V224 WeakPolarHBondContact O-CG2 3.5Å; F220-V224 PolarHBondContact O-N 2.94Å; R221-V224 PolarHBondContact O-N 3.31Å; V224-A226 VanDerWaalsContact C-N 3.32Å; V224-A226 PolarHBondContact O-N 2.78Å; V224-A228 VanDerWaalsContact O-CB 3.29Å; V224-A228 WeakPolarHBondContact O-CB 3.32Å; V224-A228 PolarHBondContact O-N 2.83Å; V224-F231 HydrophobicContact CB-CE2 4.29Å; V224-F231 HydrophobicContact CG1-CD2 4.08Å; V224-F231 HydrophobicContact CG1-CE2 3.76Å
225M98.7Very high98.6Very high84 Ų8443.5 Ų43.541%0.41425%0.253SS..Hα-helixtrans-63-36.8174.9-74.1177.364.600113.1R221 V222 K223 F231R221-M225 HydrophobicContact CG-SD 3.85Å; R221-M225 WeakPolarHBondContact O-CB 3.27Å; R221-M225 VanDerWaalsContact O-CG 3.3Å; R221-M225 WeakPolarHBondContact O-CG 3.36Å; R221-M225 PolarHBondContact O-N 3.01Å; V222-M225 PolarHBondContact O-N 2.95Å; K223-M225 VanDerWaalsContact C-N 3.32Å; K223-M225 PolarHBondContact O-N 2.94Å; M225-F231 HydrophobicContact CB-CD2 4.19Å; M225-F231 HydrophobicContact CB-CG 4.23Å; M225-F231 HydrophobicContact CG-CB 4.36Å; M225-F231 HydrophobicContact CG-CD1 3.64Å; M225-F231 HydrophobicContact CG-CD2 3.59Å; M225-F231 HydrophobicContact CG-CE1 3.7Å; M225-F231 HydrophobicContact CG-CE2 3.65Å; M225-F231 HydrophobicContact CG-CG 3.58Å; M225-F231 HydrophobicContact CG-CZ 3.7Å; M225-F231 HydrophobicContact SD-CD1 4.43Å; M225-F231 HydrophobicContact SD-CE1 4.24Å
226A98.6Very high98.5Very high81 Ų8146.1 Ų46.167%0.66926%0.262SS*.Hα-helixtrans-80.7-29.7-178.300000113.4V222 K223 V224V222-A226 WeakPolarHBondContact O-CB 3.47Å; V222-A226 PolarHBondContact O-N 2.84Å; K223-A226 PolarHBondContact O-N 2.72Å; K223-A226 VanDerWaalsContact O-N 3.16Å; V224-A226 VanDerWaalsContact C-N 3.32Å; V224-A226 PolarHBondContact O-N 2.78Å
227E98.8Very high98.5Very high73 Ų7344.6 Ų44.634%0.34125%0.254SS..Hα-helixtrans-101-24.5-171.4-72.3-175.8-171.500114.5K223K223-E227 WeakPolarHBondContact CE-OE2 3.15Å; K223-E227 HydrophobicContact CG-CG 4.35Å; K223-E227 IonicContact NZ-OE1 2.82Å; K223-E227 PolarHBondContact NZ-OE1 3.06Å; K223-E227 IonicContact NZ-OE2 3.56Å; K223-E227 PolarHBondContact NZ-OE2 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.36Å; K223-E227 WeakPolarHBondContact O-CG 3.44Å; K223-E227 PolarHBondContact O-N 3.29Å
228A98.6Very high98.3Very high10 Ų1047 Ų478%0.08326%0.26CS..SBendtrans-67.1146.1169.900000110.3P197 V207 C209 V224 H230P197-A228 HydrophobicContact CB-CB 4.3Å; V207-A228 HydrophobicContact CG1-CB 4.44Å; C209-A228 HydrophobicContact CB-CB 4.12Å; V224-A228 VanDerWaalsContact O-CB 3.29Å; V224-A228 WeakPolarHBondContact O-CB 3.32Å; V224-A228 PolarHBondContact O-N 2.83Å; A228-H230 PolarHBondContact O-N 3.01Å
229N98.8Very high98.2Very high71 Ų7148.9 Ų48.938%0.3827%0.273SS..SBendtrans-62.6-37.8173.8-57.9119.1000111E206 V207E206-N229 WeakPolarHBondContact CA-OD1 3.23Å; E206-N229 HydrophobicContact CG-CB 4.24Å; V207-N229 PolarHBondContact N-OD1 3.27Å; V207-N229 WeakPolarHBondContact O-CB 3.34Å; V207-N229 PolarHBondContact O-N 3.09Å
230H98.9Very high98.1Very high71 Ų7148.5 Ų48.533%0.32927%0.271SS..EExtended strand (participates in β ladder)trans-136.9134.3176.8-55.4-82.2000110.6E206 V207 F208 C209 A228 I232E206-H230 IonicContact OE1-CD2 3.68Å; E206-H230 IonicContact OE1-CE1 3.52Å; E206-H230 IonicContact OE1-NE2 3.46Å; E206-H230 PolarHBondContact OE1-NE2 2.74Å; V207-H230 PolarHBondContact O-N 3.47Å; F208-H230 CarbonylContact C-O 3.47Å; F208-H230 WeakPolarHBondContact CA-O 3.39Å; F208-H230 HydrophobicContact CD1-CB 3.51Å; F208-H230 AromaticContact CD1-CD2 3.84Å; F208-H230 AromaticContact CD1-CG 3.83Å; F208-H230 HydrophobicContact CE1-CB 3.75Å; F208-H230 AromaticContact CE1-CD2 3.34Å; F208-H230 WeakPolarHBondContact CE1-CD2 3.42Å; F208-H230 AromaticContact CE1-CG 3.52Å; F208-H230 AromaticContact CE2-CD2 3.75Å; F208-H230 HydrophobicContact CG-CB 4.08Å; F208-H230 AromaticContact CZ-CD2 3.29Å; F208-H230 WeakPolarHBondContact CZ-CD2 3.3Å; F208-H230 AromaticContact CZ-CG 3.98Å; F208-H230 AromaticContact CZ-NE2 3.74Å; C209-H230 PolarHBondContact N-O 3.44Å; A228-H230 PolarHBondContact O-N 3.01Å; H230-I232 HydrophobicContact CB-CD1 3.97Å
231F98.9Very high98.1Very high47 Ų4748.7 Ų48.721%0.20627%0.273CS..EExtended strand (participates in β ladder)trans-121.5127173.9-164.9-80.1000110.6F184 C209 A211 R221 V224 M225F184-F231 HydrophobicContact CB-CZ 4.43Å; F184-F231 HydrophobicContact CD2-CE2 4.24Å; F184-F231 HydrophobicContact CD2-CZ 4.33Å; F184-F231 HydrophobicContact CG-CE2 4.47Å; C209-F231 HydrophobicContact CB-CD2 3.64Å; C209-F231 HydrophobicContact CB-CE2 3.92Å; C209-F231 HydrophobicContact CB-CG 4.5Å; A211-F231 HydrophobicContact CB-CE1 3.76Å; A211-F231 HydrophobicContact CB-CZ 3.6Å; R221-F231 VanDerWaalsContact CZ-CZ 3.43Å; V224-F231 HydrophobicContact CB-CE2 4.29Å; V224-F231 HydrophobicContact CG1-CD2 4.08Å; V224-F231 HydrophobicContact CG1-CE2 3.76Å; M225-F231 HydrophobicContact CB-CD2 4.19Å; M225-F231 HydrophobicContact CB-CG 4.23Å; M225-F231 HydrophobicContact CG-CB 4.36Å; M225-F231 HydrophobicContact CG-CD1 3.64Å; M225-F231 HydrophobicContact CG-CD2 3.59Å; M225-F231 HydrophobicContact CG-CE1 3.7Å; M225-F231 HydrophobicContact CG-CE2 3.65Å; M225-F231 HydrophobicContact CG-CG 3.58Å; M225-F231 HydrophobicContact CG-CZ 3.7Å; M225-F231 HydrophobicContact SD-CD1 4.43Å; M225-F231 HydrophobicContact SD-CE1 4.24Å
232I98.9Very high98.1Very high6 Ų655.4 Ų55.43%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-125.8117.9-172.7-57.886.2000108.9F208 C209 Y210 A211 H230 L234 R246F208-I232 HydrophobicContact CB-CD1 4.25Å; F208-I232 HydrophobicContact CD1-CD1 3.88Å; C209-I232 PolarHBondContact O-N 3.08Å; Y210-I232 CarbonylContact C-O 3.3Å; Y210-I232 WeakPolarHBondContact CA-O 3.29Å; Y210-I232 HydrophobicContact CD1-CB 3.62Å; Y210-I232 HydrophobicContact CD1-CD1 4.13Å; Y210-I232 HydrophobicContact CD1-CG1 4.09Å; Y210-I232 HydrophobicContact CD1-CG2 3.88Å; Y210-I232 HydrophobicContact CE1-CB 3.88Å; Y210-I232 HydrophobicContact CE1-CD1 3.76Å; Y210-I232 HydrophobicContact CE1-CG1 3.81Å; Y210-I232 HydrophobicContact CE1-CG2 4.1Å; A211-I232 PolarHBondContact N-O 3.09Å; H230-I232 HydrophobicContact CB-CD1 3.97Å; I232-L234 HydrophobicContact CG2-CD2 3.73Å; I232-L234 HydrophobicContact CG2-CG 4.24Å; I232-L234 PolarHBondContact O-N 3.32Å; I232-R246 HydrophobicContact CG2-CG 4.2Å
233D98.7Very high98.1Very high44 Ų4451.7 Ų51.724%0.23528%0.28CS..EExtended strand (participates in β ladder)trans-86.394.5174.5-1735.4000111.2S235 Q236D233-S235 VanDerWaalsContact CG-OG 3.23Å; D233-S235 PolarHBondContact O-N 3.28Å; D233-S235 WeakPolarHBondContact OD1-CB 3.17Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 2.95Å; D233-S235 PolarHBondContact OD2-OG 3.26Å; D233-Q236 HydrophobicContact CB-CG 4.33Å; D233-Q236 PolarHBondContact O-N 3.34Å; D233-Q236 WeakPolarHBondContact OD2-CG 3.1Å; D233-Q236 PolarHBondContact OD2-NE2 3Å
234L98.8Very high98.1Very high0 Ų049.8 Ų49.80%027%0.272CS..G310 helixtrans-77-8.9175.1-62.4-175.3000112.7Y210 A211 L212 I232 Q236 I237 A243 R246 I247 R266 L269Y210-L234 HydrophobicContact CD1-CD1 3.88Å; Y210-L234 HydrophobicContact CD1-CD2 4.26Å; Y210-L234 HydrophobicContact CD1-CG 4.04Å; Y210-L234 HydrophobicContact CG-CD1 4.17Å; A211-L234 WeakPolarHBondContact O-CA 3.3Å; A211-L234 WeakPolarHBondContact O-CB 3.47Å; A211-L234 PolarHBondContact O-N 3.44Å; L212-L234 HydrophobicContact CD2-CB 4.12Å; L212-L234 HydrophobicContact CD2-CD1 4.03Å; I232-L234 HydrophobicContact CG2-CD2 3.73Å; I232-L234 HydrophobicContact CG2-CG 4.24Å; I232-L234 PolarHBondContact O-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.29Å; L234-I237 HydrophobicContact CD2-CD1 4.05Å; L234-I237 CarbonylContact O-C 3.6Å; L234-I237 WeakPolarHBondContact O-CA 3.48Å; L234-I237 PolarHBondContact O-N 3.21Å; L234-I237 VanDerWaalsContact O-O 3.13Å; L234-A243 HydrophobicContact CD1-CB 4.4Å; L234-A243 HydrophobicContact CD2-CB 4.14Å; L234-R246 HydrophobicContact CD2-CG 4.41Å; L234-I247 HydrophobicContact CD1-CD1 4.12Å; L234-I247 HydrophobicContact CD1-CG1 4.42Å; L234-R266 PolarHBondContact O-NH1 3.16Å; L234-L269 HydrophobicContact CD1-CD1 3.91Å
235S97.2Very high98.1Very high31 Ų3152.8 Ų52.822%0.21729%0.288CS..G310 helixtrans-63.3-27.2171.280.20000111.5A211 D233 I237A211-S235 PolarHBondContact O-N 3.35Å; D233-S235 VanDerWaalsContact CG-OG 3.23Å; D233-S235 PolarHBondContact O-N 3.28Å; D233-S235 WeakPolarHBondContact OD1-CB 3.17Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 2.95Å; D233-S235 PolarHBondContact OD2-OG 3.26Å; S235-I237 VanDerWaalsContact C-N 3.28Å; S235-I237 PolarHBondContact O-N 2.81Å
236Q98Very high98.1Very high138 Ų13852.7 Ų52.765%0.64528%0.283SS*.G310 helixtrans-78.1-9.9172.2-53.1-53-44.600113.5D233 L234 P238D233-Q236 HydrophobicContact CB-CG 4.33Å; D233-Q236 PolarHBondContact O-N 3.34Å; D233-Q236 WeakPolarHBondContact OD2-CG 3.1Å; D233-Q236 PolarHBondContact OD2-NE2 3Å; L234-Q236 PolarHBondContact O-N 3.29Å; Q236-P238 VanDerWaalsContact C-CD 3.41Å; Q236-P238 VanDerWaalsContact O-CD 3.23Å; Q236-P238 WeakPolarHBondContact O-CD 3.49Å
237I98.1Very high98.1Very high46 Ų4648.9 Ų48.924%0.23625%0.251CS..  trans-117.775.5179.3-47.7-179.5000108.7L234 S235 C239 K242 A243 R266L234-I237 HydrophobicContact CD2-CD1 4.05Å; L234-I237 CarbonylContact O-C 3.6Å; L234-I237 WeakPolarHBondContact O-CA 3.48Å; L234-I237 PolarHBondContact O-N 3.21Å; L234-I237 VanDerWaalsContact O-O 3.13Å; S235-I237 VanDerWaalsContact C-N 3.28Å; S235-I237 PolarHBondContact O-N 2.81Å; I237-C239 VanDerWaalsContact C-N 3.26Å; I237-C239 PolarHBondContact O-N 2.82Å; I237-K242 HydrophobicContact CG2-CB 3.7Å; I237-A243 HydrophobicContact CB-CB 4.34Å; I237-A243 HydrophobicContact CG2-CB 3.98Å; I237-R266 PolarHBondContact O-NH1 3.11Å; I237-R266 VanDerWaalsContact O-NH1 3.1Å; I237-R266 PolarHBondContact O-NH2 3.42Å
238P93.9Very high98.1Very high105 Ų10548.1 Ų48.168%0.68225%0.247SC*.  trans-67.3-26.2-174.725.5-34.8000113.1Q236 N240 R266Q236-P238 VanDerWaalsContact C-CD 3.41Å; Q236-P238 VanDerWaalsContact O-CD 3.23Å; Q236-P238 WeakPolarHBondContact O-CD 3.49Å; P238-N240 PolarHBondContact O-N 2.86Å; P238-R266 PolarHBondContact O-NH2 3.14Å
239C96Very high98.1Very high56 Ų5655 Ų5538%0.37828%0.278SS..  trans-70.8114.1175179.30000110.6I237 G241 K242 A243I237-C239 VanDerWaalsContact C-N 3.26Å; I237-C239 PolarHBondContact O-N 2.82Å; C239-G241 VanDerWaalsContact C-N 3.28Å; C239-G241 PolarHBondContact O-N 3.21Å; C239-K242 HydrophobicContact CB-CB 4.22Å; C239-K242 HydrophobicContact CB-CD 4.23Å; C239-K242 HydrophobicContact CB-CG 4.17Å; C239-K242 PolarHBondContact O-N 3.38Å; C239-A243 PolarHBondContact O-N 3.46Å
240N97Very high98.1Very high35 Ų3552.7 Ų52.719%0.18727%0.266CS..Hα-helixtrans-58.2-37.3179.5-68.6-29.6000113.1P238 A243 A244 R266 E268 L269P238-N240 PolarHBondContact O-N 2.86Å; N240-A243 PolarHBondContact O-N 3.16Å; N240-A244 WeakPolarHBondContact O-CB 3.48Å; N240-A244 PolarHBondContact O-N 2.96Å; N240-R266 VanDerWaalsContact OD1-CZ 3.3Å; N240-R266 PolarHBondContact OD1-NE 3.03Å; N240-R266 PolarHBondContact OD1-NH2 3.47Å; N240-E268 HydrophobicContact CB-CB 4.13Å; N240-E268 WeakPolarHBondContact ND2-CB 3.38Å; N240-L269 HydrophobicContact CB-CD2 4.18Å
241G97.5Very high98.1Very high5 Ų550 Ų505%0.05226%0.256CS..Hα-helixtrans-58.9-50.217600000112.5C239 A244 D245C239-G241 VanDerWaalsContact C-N 3.28Å; C239-G241 PolarHBondContact O-N 3.21Å; G241-A244 PolarHBondContact O-N 2.66Å; G241-D245 VanDerWaalsContact O-CG 3.29Å; G241-D245 PolarHBondContact O-N 3.11Å; G241-D245 VanDerWaalsContact O-OD2 3.1Å
242K98.3Very high98.1Very high143 Ų14347.8 Ų47.862%0.62225%0.247SC*.Hα-helixtrans-66.8-36.6178.4-66.4-175.5179.3-176.50112.7I237 C239 D245 R246I237-K242 HydrophobicContact CG2-CB 3.7Å; C239-K242 HydrophobicContact CB-CB 4.22Å; C239-K242 HydrophobicContact CB-CD 4.23Å; C239-K242 HydrophobicContact CB-CG 4.17Å; C239-K242 PolarHBondContact O-N 3.38Å; K242-D245 PolarHBondContact O-N 2.92Å; K242-R246 PolarHBondContact O-N 2.96Å
243A98.6Very high98.1Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-67.1-39.9176.800000111.6L234 I237 C239 N240 R246 I247 L269L234-A243 HydrophobicContact CD1-CB 4.4Å; L234-A243 HydrophobicContact CD2-CB 4.14Å; I237-A243 HydrophobicContact CB-CB 4.34Å; I237-A243 HydrophobicContact CG2-CB 3.98Å; C239-A243 PolarHBondContact O-N 3.46Å; N240-A243 PolarHBondContact O-N 3.16Å; A243-R246 WeakPolarHBondContact O-CB 3.33Å; A243-R246 PolarHBondContact O-N 3.03Å; A243-I247 WeakPolarHBondContact O-CG1 3.47Å; A243-I247 PolarHBondContact O-N 3.07Å; A243-I247 VanDerWaalsContact O-N 3.15Å; A243-L269 HydrophobicContact CB-CD2 3.55Å
244A98.8Very high98.1Very high0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-67.3-38.5173.200000112.2Y162 N240 G241 R246 I247 H248 L272 P274Y162-A244 HydrophobicContact CE2-CB 4.43Å; Y162-A244 VanDerWaalsContact OH-CB 3.23Å; Y162-A244 WeakPolarHBondContact OH-CB 3.16Å; N240-A244 WeakPolarHBondContact O-CB 3.48Å; N240-A244 PolarHBondContact O-N 2.96Å; G241-A244 PolarHBondContact O-N 2.66Å; A244-R246 VanDerWaalsContact C-N 3.27Å; A244-R246 PolarHBondContact O-N 2.92Å; A244-I247 PolarHBondContact O-N 3.38Å; A244-H248 PolarHBondContact O-N 3.25Å; A244-L272 HydrophobicContact CB-CB 3.98Å; A244-L272 HydrophobicContact CB-CD1 3.56Å; A244-L272 HydrophobicContact CB-CG 4.4Å; A244-P274 HydrophobicContact CB-CB 4.5Å; A244-P274 WeakPolarHBondContact O-CB 3.33Å
245D98.7Very high98.1Very high63 Ų6345.6 Ų45.634%0.33724%0.235SC..Hα-helixtrans-58.6-40.8172.8-72.4-37.4000111.4K159 Y162 G241 K242 H248 Q249K159-D245 WeakPolarHBondContact CE-OD1 3.31Å; K159-D245 IonicContact NZ-OD1 3.89Å; K159-D245 PolarHBondContact NZ-OD1 3.47Å; K159-D245 IonicContact NZ-OD2 2.84Å; K159-D245 PolarHBondContact NZ-OD2 3.42Å; Y162-D245 WeakPolarHBondContact CE1-OD1 3.48Å; Y162-D245 PolarHBondContact OH-N 2.91Å; Y162-D245 PolarHBondContact OH-OD1 2.63Å; G241-D245 VanDerWaalsContact O-CG 3.29Å; G241-D245 PolarHBondContact O-N 3.11Å; G241-D245 VanDerWaalsContact O-OD2 3.1Å; K242-D245 PolarHBondContact O-N 2.92Å; D245-H248 PolarHBondContact O-N 3.41Å; D245-Q249 VanDerWaalsContact O-CB 3.31Å; D245-Q249 WeakPolarHBondContact O-CB 3.3Å; D245-Q249 PolarHBondContact O-N 3.42Å
246R98.8Very high98.2Very high82 Ų8244.1 Ų44.131%0.30923%0.225SC..Hα-helixtrans-61.5-47.2175.5172.658.6-162-90.77.9112I232 L234 K242 A243 A244 H248 Q249 D250I232-R246 HydrophobicContact CG2-CG 4.2Å; L234-R246 HydrophobicContact CD2-CG 4.41Å; K242-R246 PolarHBondContact O-N 2.96Å; A243-R246 WeakPolarHBondContact O-CB 3.33Å; A243-R246 PolarHBondContact O-N 3.03Å; A244-R246 VanDerWaalsContact C-N 3.27Å; A244-R246 PolarHBondContact O-N 2.92Å; R246-H248 VanDerWaalsContact C-N 3.32Å; R246-H248 PolarHBondContact O-N 2.88Å; R246-Q249 PolarHBondContact O-N 3.45Å; R246-D250 IonicContact CZ-OD1 2.98Å; R246-D250 IonicContact CZ-OD2 2.65Å; R246-D250 IonicContact NE-OD1 3.21Å; R246-D250 PolarHBondContact NE-OD1 3.44Å; R246-D250 IonicContact NE-OD2 2.9Å; R246-D250 PolarHBondContact NE-OD2 2.81Å; R246-D250 IonicContact NH2-OD1 3.2Å; R246-D250 PolarHBondContact NH2-OD1 3.13Å; R246-D250 IonicContact NH2-OD2 3.96Å; R246-D250 PolarHBondContact O-N 2.86Å; R246-D250 VanDerWaalsContact O-N 3.1Å
247I98.9Very high98.2Very high0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-60.3-43.7177.6-65.1164.5000110.6Y210 L234 A243 A244 D250 I252 L255 L269 P274Y210-I247 HydrophobicContact CD1-CG1 3.97Å; Y210-I247 HydrophobicContact CE1-CG1 3.74Å; Y210-I247 HydrophobicContact CE2-CG1 4.28Å; Y210-I247 HydrophobicContact CE2-CG2 4.49Å; Y210-I247 HydrophobicContact CG-CG1 4.35Å; L234-I247 HydrophobicContact CD1-CD1 4.12Å; L234-I247 HydrophobicContact CD1-CG1 4.42Å; A243-I247 WeakPolarHBondContact O-CG1 3.47Å; A243-I247 PolarHBondContact O-N 3.07Å; A243-I247 VanDerWaalsContact O-N 3.15Å; A244-I247 PolarHBondContact O-N 3.38Å; I247-D250 PolarHBondContact O-N 3.07Å; I247-I252 HydrophobicContact CG2-CB 4.26Å; I247-I252 HydrophobicContact CG2-CG1 3.95Å; I247-L255 HydrophobicContact CD1-CD2 4.36Å; I247-L255 HydrophobicContact CG2-CD1 3.67Å; I247-L255 HydrophobicContact CG2-CD2 4.13Å; I247-L269 HydrophobicContact CD1-CB 4.45Å; I247-L269 HydrophobicContact CD1-CD1 4.35Å; I247-P274 HydrophobicContact CB-CB 4.07Å; I247-P274 HydrophobicContact CB-CG 4.09Å; I247-P274 HydrophobicContact CD1-CG 4.41Å; I247-P274 HydrophobicContact CG2-CB 3.89Å; I247-P274 HydrophobicContact CG2-CG 3.74Å
248H98.8Very high98.3Very high58 Ų5835.5 Ų35.527%0.26918%0.183SC..Hα-helixtrans-63.5-43.3177.5176.4-104.2000112Y162 E163 A244 D245 R246 D250 G251 P274Y162-H248 HydrophobicContact CD1-CB 3.61Å; Y162-H248 AromaticContact CD1-CD2 3.54Å; Y162-H248 AromaticContact CD1-CG 3.26Å; Y162-H248 AromaticContact CD1-ND1 3.61Å; Y162-H248 AromaticContact CD1-NE2 4Å; Y162-H248 HydrophobicContact CE1-CB 3.68Å; Y162-H248 AromaticContact CE1-CG 3.82Å; Y162-H248 HydrophobicContact CG-CB 4.27Å; Y162-H248 AromaticContact CG-CD2 3.79Å; Y162-H248 AromaticContact CG-CG 3.94Å; E163-H248 PolarHBondContact O-NE2 3.18Å; A244-H248 PolarHBondContact O-N 3.25Å; D245-H248 PolarHBondContact O-N 3.41Å; R246-H248 VanDerWaalsContact C-N 3.32Å; R246-H248 PolarHBondContact O-N 2.88Å; H248-D250 VanDerWaalsContact C-N 3.29Å; H248-D250 PolarHBondContact O-N 3.44Å; H248-G251 WeakPolarHBondContact O-CA 3.3Å; H248-G251 PolarHBondContact O-N 2.99Å; H248-P274 HydrophobicContact CB-CB 4.1Å
249Q98.6Very high98.5Very high154 Ų15430.6 Ų30.672%0.7215%0.151SC*.Hα-helixtrans-62.2-34.8178.7-175.6179.7400112.8D245 R246 G251D245-Q249 VanDerWaalsContact O-CB 3.31Å; D245-Q249 WeakPolarHBondContact O-CB 3.3Å; D245-Q249 PolarHBondContact O-N 3.42Å; R246-Q249 PolarHBondContact O-N 3.45Å; Q249-G251 PolarHBondContact O-N 2.88Å
250D98.7Very high98.6Very high23 Ų2328 Ų2812%0.12313%0.134CC..THydrogen-bonded Turntrans-68.5-12.7174.3-65.9-32.7000111.8R176 F208 Y210 R246 I247 H248 I252R176-D250 WeakPolarHBondContact CD-O 3.17Å; R176-D250 PolarHBondContact NH1-O 3.16Å; F208-D250 HydrophobicContact CD1-CB 3.97Å; F208-D250 HydrophobicContact CE1-CB 3.71Å; F208-D250 HydrophobicContact CZ-CB 4.36Å; Y210-D250 WeakPolarHBondContact CE1-OD2 3.25Å; Y210-D250 VanDerWaalsContact OH-CB 3.26Å; Y210-D250 WeakPolarHBondContact OH-CB 3.3Å; Y210-D250 PolarHBondContact OH-OD2 3.24Å; R246-D250 IonicContact CZ-OD1 2.98Å; R246-D250 IonicContact CZ-OD2 2.65Å; R246-D250 IonicContact NE-OD1 3.21Å; R246-D250 PolarHBondContact NE-OD1 3.44Å; R246-D250 IonicContact NE-OD2 2.9Å; R246-D250 PolarHBondContact NE-OD2 2.81Å; R246-D250 IonicContact NH2-OD1 3.2Å; R246-D250 PolarHBondContact NH2-OD1 3.13Å; R246-D250 IonicContact NH2-OD2 3.96Å; R246-D250 PolarHBondContact O-N 2.86Å; R246-D250 VanDerWaalsContact O-N 3.1Å; I247-D250 PolarHBondContact O-N 3.07Å; H248-D250 VanDerWaalsContact C-N 3.29Å; H248-D250 PolarHBondContact O-N 3.44Å; D250-I252 HydrophobicContact CB-CD1 4.25Å; D250-I252 HydrophobicContact CB-CG1 4.35Å
251G98.6Very high98.7Very high13 Ų1327.1 Ų27.113%0.13413%0.128CC..THydrogen-bonded Turntrans73.137.8174.700000113.5R176 H248 Q249 H253R176-G251 WeakPolarHBondContact CD-O 3.5Å; H248-G251 WeakPolarHBondContact O-CA 3.3Å; H248-G251 PolarHBondContact O-N 2.99Å; Q249-G251 PolarHBondContact O-N 2.88Å; G251-H253 PolarHBondContact O-N 3.38Å
252I98.9Very high98.6Very high1 Ų128.9 Ų28.91%0.00514%0.138CC..  trans-63.7132.2-178.4-58.6-54000111.4R176 F208 Y210 I247 D250 I254 L255 A275 P276R176-I252 HydrophobicContact CB-CD1 4.15Å; F208-I252 HydrophobicContact CB-CD1 3.83Å; F208-I252 HydrophobicContact CD1-CD1 4.11Å; F208-I252 HydrophobicContact CD2-CD1 3.44Å; F208-I252 VanDerWaalsContact CD2-CD1 3.44Å; F208-I252 HydrophobicContact CE2-CD1 3.99Å; F208-I252 HydrophobicContact CG-CD1 3.53Å; Y210-I252 HydrophobicContact CE2-CD1 4.14Å; Y210-I252 HydrophobicContact CE2-CG1 4.04Å; Y210-I252 WeakPolarHBondContact OH-CD1 3.16Å; Y210-I252 WeakPolarHBondContact OH-CG1 3.41Å; I247-I252 HydrophobicContact CG2-CB 4.26Å; I247-I252 HydrophobicContact CG2-CG1 3.95Å; D250-I252 HydrophobicContact CB-CD1 4.25Å; D250-I252 HydrophobicContact CB-CG1 4.35Å; I252-I254 VanDerWaalsContact CG2-C 3.5Å; I252-I254 VanDerWaalsContact CG2-O 3.24Å; I252-I254 WeakPolarHBondContact CG2-O 3.18Å; I252-L255 HydrophobicContact CG2-CB 4.16Å; I252-L255 HydrophobicContact CG2-CD1 4.08Å; I252-A275 HydrophobicContact CB-CB 4.33Å; I252-A275 HydrophobicContact CG2-CB 4.06Å; I252-P276 WeakPolarHBondContact O-CD 3.22Å
253H98.9Very high98.3Very high4 Ų431.4 Ų31.42%0.01915%0.149CC..SBendtrans-91-46.3175.3-54.394.2000111.2L168 S171 L175 R176 G251 P276 I277 W643L168-H253 WeakPolarHBondContact CD2-NE2 3.47Å; S171-H253 PolarHBondContact OG-CE1 3.17Å; L175-H253 HydrophobicContact CD1-CB 3.51Å; L175-H253 HydrophobicContact CG-CB 4.33Å; R176-H253 WeakPolarHBondContact CB-ND1 3.25Å; R176-H253 PolarHBondContact N-ND1 2.78Å; R176-H253 PolarHBondContact O-N 2.84Å; G251-H253 PolarHBondContact O-N 3.38Å; H253-P276 VanDerWaalsContact O-CD 3.31Å; H253-P276 WeakPolarHBondContact O-CD 3.24Å; H253-P276 VanDerWaalsContact O-CG 3.32Å; H253-P276 WeakPolarHBondContact O-CG 3.31Å; H253-I277 PolarHBondContact O-N 3.47Å; H253-W643 HydrophobicContact CB-CE3 3.88Å; H253-W643 HydrophobicContact CB-CZ3 3.81Å; H253-W643 AromaticContact CD2-CH2 3.38Å; H253-W643 WeakPolarHBondContact CD2-CH2 3.5Å; H253-W643 AromaticContact CD2-CZ2 3.91Å; H253-W643 AromaticContact CD2-CZ3 3.56Å
254I99Very high98.2Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-120.8115.8177.9-55.6-174.8000109.1L175 R176 V177 G178 I252 V256 I277 Y639 M642L175-I254 HydrophobicContact CD2-CD1 3.83Å; L175-I254 HydrophobicContact CD2-CG1 4.4Å; R176-I254 PolarHBondContact O-N 3.2Å; V177-I254 WeakPolarHBondContact CA-O 3.33Å; G178-I254 PolarHBondContact N-O 3.44Å; I252-I254 VanDerWaalsContact CG2-C 3.5Å; I252-I254 VanDerWaalsContact CG2-O 3.24Å; I252-I254 WeakPolarHBondContact CG2-O 3.18Å; I254-V256 HydrophobicContact CG2-CG2 4.12Å; I254-I277 WeakPolarHBondContact CA-O 3.19Å; I254-I277 HydrophobicContact CD1-CD1 4.5Å; I254-I277 HydrophobicContact CG1-CB 4.12Å; I254-I277 HydrophobicContact CG1-CD1 4.16Å; I254-I277 HydrophobicContact CG1-CG2 4.28Å; I254-I277 HydrophobicContact CG2-CG2 4.32Å; I254-Y639 HydrophobicContact CD1-CD1 3.86Å; I254-Y639 HydrophobicContact CD1-CG 3.95Å; I254-Y639 WeakPolarHBondContact CD1-O 3.37Å; I254-Y639 HydrophobicContact CG2-CD1 4.31Å; I254-Y639 HydrophobicContact CG2-CE1 4.3Å; I254-M642 HydrophobicContact CD1-CB 4.23Å; I254-M642 HydrophobicContact CD1-SD 4.4Å
255L99Very high98.1Very high0 Ų034.9 Ų34.90%018%0.182CC..EExtended strand (participates in β ladder)trans-102.1123.8174.5-165.373.3000110.3G178 V180 Y210 I247 I252 F270 P274 A275 I277 Q278 A279G178-L255 CarbonylContact O-C 3.44Å; V180-L255 HydrophobicContact CG2-CD1 3.47Å; V180-L255 VanDerWaalsContact CG2-CD1 3.47Å; V180-L255 HydrophobicContact CG2-CD2 4.2Å; V180-L255 HydrophobicContact CG2-CG 3.77Å; Y210-L255 HydrophobicContact CD2-CD1 4.25Å; Y210-L255 HydrophobicContact CE2-CD1 4.19Å; I247-L255 HydrophobicContact CD1-CD2 4.36Å; I247-L255 HydrophobicContact CG2-CD1 3.67Å; I247-L255 HydrophobicContact CG2-CD2 4.13Å; I252-L255 HydrophobicContact CG2-CB 4.16Å; I252-L255 HydrophobicContact CG2-CD1 4.08Å; L255-F270 HydrophobicContact CB-CE1 4.12Å; L255-F270 HydrophobicContact CD2-CD1 3.79Å; L255-F270 HydrophobicContact CD2-CE1 3.5Å; L255-F270 VanDerWaalsContact CD2-CE1 3.5Å; L255-F270 HydrophobicContact CD2-CG 4.48Å; L255-F270 HydrophobicContact CD2-CZ 3.96Å; L255-F270 HydrophobicContact CG-CD1 4.3Å; L255-F270 HydrophobicContact CG-CE1 3.55Å; L255-F270 HydrophobicContact CG-CZ 3.97Å; L255-P274 HydrophobicContact CD2-CG 3.97Å; L255-A275 HydrophobicContact CB-CB 3.68Å; L255-I277 PolarHBondContact N-O 2.72Å; L255-Q278 HydrophobicContact CB-CG 4.39Å; L255-Q278 CarbonylContact O-C 3.47Å; L255-Q278 VanDerWaalsContact O-CA 3.25Å; L255-Q278 WeakPolarHBondContact O-CA 3.4Å; L255-A279 PolarHBondContact O-N 3.02Å
256V99Very high98.1Very high0 Ų033.5 Ų33.50%017%0.172CC..EExtended strand (participates in β ladder)trans-106.9118.1-171.2-174.90000109.9V177 G178 Y179 V180 I254 M258 A279 W281 Y639V177-V256 HydrophobicContact CG1-CG2 4.01Å; G178-V256 PolarHBondContact O-N 3.32Å; Y179-V256 HydrophobicContact CD1-CB 3.79Å; Y179-V256 HydrophobicContact CD1-CG1 3.93Å; Y179-V256 HydrophobicContact CD1-CG2 4.1Å; Y179-V256 HydrophobicContact CE1-CB 4.12Å; Y179-V256 HydrophobicContact CE1-CG1 4.1Å; Y179-V256 HydrophobicContact CE1-CG2 3.99Å; V180-V256 PolarHBondContact N-O 3.5Å; I254-V256 HydrophobicContact CG2-CG2 4.12Å; V256-M258 HydrophobicContact CG1-CG 4.2Å; V256-A279 CarbonylContact C-O 3.29Å; V256-A279 WeakPolarHBondContact CA-O 3.2Å; V256-W281 HydrophobicContact CG1-CB 3.48Å; V256-W281 VanDerWaalsContact CG1-CB 3.48Å; V256-W281 HydrophobicContact CG1-CD2 4.26Å; V256-W281 HydrophobicContact CG1-CE3 3.8Å; V256-W281 HydrophobicContact CG1-CG 4.2Å; V256-Y639 HydrophobicContact CG2-CE1 4.43Å
257N98.9Very high98Very high3 Ų330 Ų302%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-86.4113.2175.1-169.7-30.2000110.1N259 G260 N267 F270 A279 M280 W281 M293N257-N259 PolarHBondContact OD1-N 3.47Å; N257-G260 PolarHBondContact OD1-N 3.25Å; N257-N267 PolarHBondContact ND2-OD1 3.23Å; N257-F270 HydrophobicContact CB-CD1 4.16Å; N257-F270 HydrophobicContact CB-CD2 4.3Å; N257-F270 HydrophobicContact CB-CE1 3.61Å; N257-F270 HydrophobicContact CB-CE2 3.77Å; N257-F270 HydrophobicContact CB-CG 4.48Å; N257-F270 HydrophobicContact CB-CZ 3.4Å; N257-F270 VanDerWaalsContact CB-CZ 3.4Å; N257-F270 WeakPolarHBondContact ND2-CD2 3.3Å; N257-A279 PolarHBondContact N-O 2.91Å; N257-M280 HydrophobicContact CB-SD 3.81Å; N257-W281 PolarHBondContact O-N 3.48Å; N257-M293 HydrophobicContact CB-CE 3.65Å; N257-M293 HydrophobicContact CB-SD 4.34Å
258M98.9Very high98Very high0 Ų030.8 Ų30.80%016%0.163CC..SBendtrans-105.213.5179.3-57.7174.764.200113.3Y179 V180 F184 T189 M193 V256 W281 G283Y179-M258 HydrophobicContact CD1-SD 3.86Å; Y179-M258 HydrophobicContact CG-SD 4.29Å; V180-M258 WeakPolarHBondContact O-CB 3.36Å; V180-M258 PolarHBondContact O-N 3.28Å; V180-M258 VanDerWaalsContact O-N 3.17Å; F184-M258 HydrophobicContact CE1-SD 4.38Å; F184-M258 HydrophobicContact CZ-SD 4.25Å; T189-M258 HydrophobicContact CG2-CE 3.45Å; T189-M258 VanDerWaalsContact CG2-CE 3.45Å; M193-M258 HydrophobicContact CE-CE 3.62Å; M193-M258 HydrophobicContact CE-SD 4.18Å; M193-M258 HydrophobicContact CG-CE 3.52Å; M193-M258 HydrophobicContact SD-CE 3.62Å; V256-M258 HydrophobicContact CG1-CG 4.2Å; M258-W281 HydrophobicContact CE-CE3 4.06Å; M258-W281 HydrophobicContact CE-CZ3 3.73Å; M258-W281 HydrophobicContact CG-CE3 3.92Å; M258-W281 HydrophobicContact CG-CZ3 4.44Å; M258-W281 HydrophobicContact SD-CE3 4.04Å; M258-W281 HydrophobicContact SD-CZ3 3.95Å; M258-G283 WeakPolarHBondContact O-CA 3.43Å
259N98.8Very high98Very high2 Ų228 Ų281%0.01115%0.15CC..  trans-117.5-44.8-176-86.9102.5000112.6S181 S182 N257 Y261 T262 A265 Y284S181-N259 VanDerWaalsContact CA-OD1 3.31Å; S181-N259 WeakPolarHBondContact CA-OD1 3.43Å; S182-N259 PolarHBondContact N-OD1 3.17Å; S182-N259 PolarHBondContact OG-ND2 3.25Å; N257-N259 PolarHBondContact OD1-N 3.47Å; N259-Y261 PolarHBondContact O-N 3.05Å; N259-T262 PolarHBondContact ND2-OG1 2.78Å; N259-T262 VanDerWaalsContact ND2-OG1 3.12Å; N259-T262 WeakPolarHBondContact O-CB 3.34Å; N259-T262 VanDerWaalsContact O-CG2 3.27Å; N259-T262 WeakPolarHBondContact O-CG2 3.37Å; N259-T262 PolarHBondContact O-N 3.08Å; N259-T262 PolarHBondContact O-OG1 3.03Å; N259-A265 HydrophobicContact CB-CB 3.82Å; N259-Y284 WeakPolarHBondContact O-CB 3.26Å
260G98.2Very high98Very high1 Ų120.8 Ų20.81%0.0112%0.116CC..SBendtrans49.6-126.4-165.400000111.2N257 T262 A265 N267N257-G260 PolarHBondContact OD1-N 3.25Å; G260-T262 PolarHBondContact O-N 3.35Å; G260-A265 VanDerWaalsContact O-CB 3.29Å; G260-A265 WeakPolarHBondContact O-CB 3.35Å; G260-N267 PolarHBondContact O-ND2 3.1Å; G260-N267 PolarHBondContact O-OD1 3.12Å
261Y98.2Very high98Very high18 Ų1820 Ų207%0.07111%0.113CC..SBendtrans-98.750.9177.5-57.8-67000112.5H125 P126 A143 H146 G147 N259 Y284 S288H125-Y261 PolarHBondContact CE1-O 3Å; P126-Y261 HydrophobicContact CB-CD2 3.52Å; P126-Y261 HydrophobicContact CB-CE2 4.17Å; P126-Y261 HydrophobicContact CB-CG 3.97Å; P126-Y261 HydrophobicContact CG-CD1 4.45Å; P126-Y261 HydrophobicContact CG-CD2 3.79Å; P126-Y261 HydrophobicContact CG-CE2 4.23Å; P126-Y261 HydrophobicContact CG-CG 3.91Å; A143-Y261 HydrophobicContact CB-CE2 4.03Å; A143-Y261 PolarHBondContact O-OH 3.29Å; A143-Y261 VanDerWaalsContact O-OH 3.06Å; H146-Y261 HydrophobicContact CB-CD1 4.1Å; H146-Y261 HydrophobicContact CB-CE1 3.54Å; H146-Y261 HydrophobicContact CB-CE2 4.49Å; G147-Y261 WeakPolarHBondContact CA-OH 3.41Å; G147-Y261 PolarHBondContact N-OH 3.26Å; G147-Y261 VanDerWaalsContact N-OH 3.07Å; N259-Y261 PolarHBondContact O-N 3.05Å; Y261-Y284 AromaticContact CD2-CE1 4Å; Y261-Y284 HydrophobicContact CD2-CE1 4Å; Y261-Y284 HydrophobicContact CD2-CE2 4.39Å; Y261-Y284 AromaticContact CD2-CZ 3.77Å; Y261-S288 VanDerWaalsContact CE2-O 3.25Å; Y261-S288 WeakPolarHBondContact CE2-O 3.38Å; Y261-S288 PolarHBondContact OH-O 2.83Å
262T95.9Very high98Very high41 Ų4120.3 Ų20.325%0.25211%0.112SC..SBendtrans-102.9170.4171.262.30000112.1N259 G260 G264 A265 Y284N259-T262 PolarHBondContact ND2-OG1 2.78Å; N259-T262 VanDerWaalsContact ND2-OG1 3.12Å; N259-T262 WeakPolarHBondContact O-CB 3.34Å; N259-T262 VanDerWaalsContact O-CG2 3.27Å; N259-T262 WeakPolarHBondContact O-CG2 3.37Å; N259-T262 PolarHBondContact O-N 3.08Å; N259-T262 PolarHBondContact O-OG1 3.03Å; G260-T262 PolarHBondContact O-N 3.35Å; T262-G264 PolarHBondContact O-N 3.14Å; T262-A265 WeakPolarHBondContact O-CB 3.41Å; T262-A265 PolarHBondContact O-N 3.32Å; T262-Y284 HydrophobicContact CG2-CD2 4.1Å
263K93.1Very high98Very high197 Ų19725.1 Ų25.186%0.85713%0.13SC*.THydrogen-bonded Turntrans-60.3135.1176.2-177.2179.3178.4-178.90109.9S182S182-K263 PolarHBondContact OG-O 2.89Å
264G94.9Very high98Very high43 Ų4325 Ų2544%0.44313%0.129SC..THydrogen-bonded Turntrans91.1-7.2179.100000114.8T262T262-G264 PolarHBondContact O-N 3.14Å
265A97.4Very high98Very high29 Ų2925 Ų2524%0.2413%0.13CC..  trans-59.7140178.500000112.9N259 G260 T262N259-A265 HydrophobicContact CB-CB 3.82Å; G260-A265 VanDerWaalsContact O-CB 3.29Å; G260-A265 WeakPolarHBondContact O-CB 3.35Å; T262-A265 WeakPolarHBondContact O-CB 3.41Å; T262-A265 PolarHBondContact O-N 3.32Å
266R97.8Very high98Very high34 Ų3425.6 Ų25.613%0.12813%0.133CC..  trans-125.364.6169.3-69.5174.459.9-174.13.5109.4L212 L234 I237 P238 N240 E268 L269L212-R266 HydrophobicContact CD1-CB 3.99Å; L212-R266 HydrophobicContact CD1-CG 4.3Å; L212-R266 HydrophobicContact CD2-CB 4.5Å; L234-R266 PolarHBondContact O-NH1 3.16Å; I237-R266 PolarHBondContact O-NH1 3.11Å; I237-R266 VanDerWaalsContact O-NH1 3.1Å; I237-R266 PolarHBondContact O-NH2 3.42Å; P238-R266 PolarHBondContact O-NH2 3.14Å; N240-R266 VanDerWaalsContact OD1-CZ 3.3Å; N240-R266 PolarHBondContact OD1-NE 3.03Å; N240-R266 PolarHBondContact OD1-NH2 3.47Å; R266-E268 WeakPolarHBondContact CA-OE2 3.37Å; R266-E268 PolarHBondContact O-N 3.49Å; R266-E268 VanDerWaalsContact O-N 3.1Å; R266-L269 HydrophobicContact CB-CD1 4.04Å; R266-L269 HydrophobicContact CB-CG 4.05Å; R266-L269 WeakPolarHBondContact O-CB 3.29Å; R266-L269 VanDerWaalsContact O-CG 3.3Å; R266-L269 WeakPolarHBondContact O-CG 3.33Å; R266-L269 PolarHBondContact O-N 3Å
267N98.6Very high98Very high10 Ų1025.8 Ų25.85%0.05313%0.134CC..THydrogen-bonded Turntrans-64-14.9-177.3-67-37.8000112.9N257 G260 L269 F270 A271 F292N257-N267 PolarHBondContact ND2-OD1 3.23Å; G260-N267 PolarHBondContact O-ND2 3.1Å; G260-N267 PolarHBondContact O-OD1 3.12Å; N267-L269 PolarHBondContact O-N 3.26Å; N267-F270 PolarHBondContact O-N 3.16Å; N267-F270 VanDerWaalsContact O-N 3.1Å; N267-A271 PolarHBondContact O-N 3.42Å; N267-F292 HydrophobicContact CB-CZ 4.4Å
268E98.4Very high98Very high15 Ų1525.6 Ų25.67%0.0713%0.134CC..Hα-helixtrans-56.1-30.2168.4-63.882.3-179.200112.5C150 K153 I154 N240 R266 A271 L272C150-E268 HydrophobicContact CB-CG 4.24Å; K153-E268 HydrophobicContact CB-CG 4.12Å; K153-E268 HydrophobicContact CD-CG 4.06Å; K153-E268 WeakPolarHBondContact CD-OE1 3.46Å; K153-E268 IonicContact NZ-OE1 3.69Å; K153-E268 PolarHBondContact NZ-OE1 3.17Å; I154-E268 HydrophobicContact CG2-CB 3.66Å; I154-E268 HydrophobicContact CG2-CG 4.11Å; N240-E268 HydrophobicContact CB-CB 4.13Å; N240-E268 WeakPolarHBondContact ND2-CB 3.38Å; R266-E268 WeakPolarHBondContact CA-OE2 3.37Å; R266-E268 PolarHBondContact O-N 3.49Å; R266-E268 VanDerWaalsContact O-N 3.1Å; E268-A271 PolarHBondContact O-N 3.1Å; E268-L272 PolarHBondContact O-N 3.19Å
269L98.8Very high98Very high0 Ų025.6 Ų25.60%013%0.134CC..Hα-helixtrans-63.3-44.1174.9-57.8179.7000111.3V180 L212 L234 N240 A243 I247 R266 N267 L272 P274V180-L269 HydrophobicContact CG1-CD1 4.37Å; L212-L269 HydrophobicContact CD2-CD1 3.76Å; L234-L269 HydrophobicContact CD1-CD1 3.91Å; N240-L269 HydrophobicContact CB-CD2 4.18Å; A243-L269 HydrophobicContact CB-CD2 3.55Å; I247-L269 HydrophobicContact CD1-CB 4.45Å; I247-L269 HydrophobicContact CD1-CD1 4.35Å; R266-L269 HydrophobicContact CB-CD1 4.04Å; R266-L269 HydrophobicContact CB-CG 4.05Å; R266-L269 WeakPolarHBondContact O-CB 3.29Å; R266-L269 VanDerWaalsContact O-CG 3.3Å; R266-L269 WeakPolarHBondContact O-CG 3.33Å; R266-L269 PolarHBondContact O-N 3Å; N267-L269 PolarHBondContact O-N 3.26Å; L269-L272 PolarHBondContact O-N 3.11Å; L269-P274 WeakPolarHBondContact O-CD 3.27Å
270F98.8Very high98Very high2 Ų225.7 Ų25.71%0.00913%0.134CC..Hα-helixtrans-73-35.7177.6-68.2-89.3000111.7V180 L255 N257 N267 L272 R273 Q278 F292 M293V180-F270 HydrophobicContact CB-CE2 3.94Å; V180-F270 HydrophobicContact CB-CZ 3.71Å; V180-F270 HydrophobicContact CG1-CE2 4.07Å; V180-F270 HydrophobicContact CG1-CZ 4.34Å; V180-F270 HydrophobicContact CG2-CE2 4.15Å; V180-F270 HydrophobicContact CG2-CZ 3.65Å; L255-F270 HydrophobicContact CB-CE1 4.12Å; L255-F270 HydrophobicContact CD2-CD1 3.79Å; L255-F270 HydrophobicContact CD2-CE1 3.5Å; L255-F270 VanDerWaalsContact CD2-CE1 3.5Å; L255-F270 HydrophobicContact CD2-CG 4.48Å; L255-F270 HydrophobicContact CD2-CZ 3.96Å; L255-F270 HydrophobicContact CG-CD1 4.3Å; L255-F270 HydrophobicContact CG-CE1 3.55Å; L255-F270 HydrophobicContact CG-CZ 3.97Å; N257-F270 HydrophobicContact CB-CD1 4.16Å; N257-F270 HydrophobicContact CB-CD2 4.3Å; N257-F270 HydrophobicContact CB-CE1 3.61Å; N257-F270 HydrophobicContact CB-CE2 3.77Å; N257-F270 HydrophobicContact CB-CG 4.48Å; N257-F270 HydrophobicContact CB-CZ 3.4Å; N257-F270 VanDerWaalsContact CB-CZ 3.4Å; N257-F270 WeakPolarHBondContact ND2-CD2 3.3Å; N267-F270 PolarHBondContact O-N 3.16Å; N267-F270 VanDerWaalsContact O-N 3.1Å; F270-L272 PolarHBondContact O-N 2.84Å; F270-R273 PolarHBondContact O-N 3.05Å; F270-Q278 HydrophobicContact CD1-CB 4.15Å; F270-Q278 HydrophobicContact CD1-CG 4.39Å; F270-Q278 PolarHBondContact O-NE2 2.66Å; F270-F292 HydrophobicContact CB-CD2 3.71Å; F270-F292 HydrophobicContact CB-CE2 3.85Å; F270-M293 HydrophobicContact CB-SD 3.89Å; F270-M293 HydrophobicContact CD1-CE 4.09Å; F270-M293 HydrophobicContact CD1-SD 3.75Å; F270-M293 HydrophobicContact CE1-CE 4.38Å; F270-M293 HydrophobicContact CG-SD 3.97Å
271A98.6Very high98Very high8 Ų825.9 Ų25.97%0.06613%0.134CC..Hα-helixtrans-58.9-32.5174.800000112.4C150 L151 I154 N267 E268 R273 F292C150-A271 HydrophobicContact CB-CB 4.17Å; L151-A271 HydrophobicContact CD2-CB 4.17Å; I154-A271 HydrophobicContact CD1-CB 3.64Å; I154-A271 VanDerWaalsContact CD1-O 3.29Å; I154-A271 WeakPolarHBondContact CD1-O 3.42Å; I154-A271 HydrophobicContact CG1-CB 4.21Å; I154-A271 HydrophobicContact CG2-CB 4.47Å; N267-A271 PolarHBondContact O-N 3.42Å; E268-A271 PolarHBondContact O-N 3.1Å; A271-R273 PolarHBondContact O-N 3.07Å; A271-F292 HydrophobicContact CB-CD1 3.69Å; A271-F292 HydrophobicContact CB-CE1 3.72Å; A271-F292 HydrophobicContact CB-CG 4.23Å; A271-F292 HydrophobicContact CB-CZ 4.29Å
272L98.6Very high98Very high19 Ų1925.6 Ų25.610%0.09913%0.134CC..THydrogen-bonded Turntrans-73.8-10.3175.4-79.6165.4000113.7I154 L157 K159 Y162 A244 E268 L269 F270I154-L272 HydrophobicContact CB-CD2 4.02Å; I154-L272 HydrophobicContact CB-CG 4.01Å; I154-L272 HydrophobicContact CD1-CD2 3.92Å; I154-L272 HydrophobicContact CD1-CG 3.9Å; I154-L272 HydrophobicContact CG2-CD1 4.13Å; I154-L272 HydrophobicContact CG2-CD2 4.41Å; I154-L272 HydrophobicContact CG2-CG 3.86Å; L157-L272 HydrophobicContact CD1-CD1 4.3Å; K159-L272 HydrophobicContact CB-CD2 4.21Å; K159-L272 HydrophobicContact CD-CD2 4.05Å; Y162-L272 VanDerWaalsContact CD2-O 3.25Å; Y162-L272 WeakPolarHBondContact CD2-O 3.05Å; Y162-L272 HydrophobicContact CE2-CB 4.21Å; Y162-L272 VanDerWaalsContact CE2-O 3.23Å; Y162-L272 WeakPolarHBondContact CE2-O 3.44Å; A244-L272 HydrophobicContact CB-CB 3.98Å; A244-L272 HydrophobicContact CB-CD1 3.56Å; A244-L272 HydrophobicContact CB-CG 4.4Å; E268-L272 PolarHBondContact O-N 3.19Å; L269-L272 PolarHBondContact O-N 3.11Å; F270-L272 PolarHBondContact O-N 2.84Å
273R98.8Very high98Very high101 Ų10124.7 Ų24.738%0.38113%0.132SC..  trans48.756.3179.4-65.2180164-121.4-0.4114.7Y162 H164 F270 A271 A275 L291 F292Y162-R273 WeakPolarHBondContact CD2-O 3.31Å; H164-R273 PolarHBondContact NE2-O 2.89Å; F270-R273 PolarHBondContact O-N 3.05Å; A271-R273 PolarHBondContact O-N 3.07Å; R273-A275 PolarHBondContact O-N 3.13Å; R273-L291 PolarHBondContact NH2-O 3.25Å; R273-F292 HydrophobicContact CG-CB 4.16Å
274P98.8Very high98.2Very high1 Ų116.2 Ų16.21%0.00610%0.095CC..  trans-69.7-15.5177.130.8-38000114.2Y162 A244 I247 H248 L255 L269Y162-P274 HydrophobicContact CD2-CB 4.26Å; Y162-P274 HydrophobicContact CE2-CB 4.07Å; A244-P274 HydrophobicContact CB-CB 4.5Å; A244-P274 WeakPolarHBondContact O-CB 3.33Å; I247-P274 HydrophobicContact CB-CB 4.07Å; I247-P274 HydrophobicContact CB-CG 4.09Å; I247-P274 HydrophobicContact CD1-CG 4.41Å; I247-P274 HydrophobicContact CG2-CB 3.89Å; I247-P274 HydrophobicContact CG2-CG 3.74Å; H248-P274 HydrophobicContact CB-CB 4.1Å; L255-P274 HydrophobicContact CD2-CG 3.97Å; L269-P274 WeakPolarHBondContact O-CD 3.27Å
275A98.9Very high98.4Very high2 Ų215 Ų152%0.0178%0.08CC..SBendtrans-119.9151.9176.100000111.2H164 I252 L255 R273 I277H164-A275 PolarHBondContact NE2-O 3.44Å; I252-A275 HydrophobicContact CB-CB 4.33Å; I252-A275 HydrophobicContact CG2-CB 4.06Å; L255-A275 HydrophobicContact CB-CB 3.68Å; R273-A275 PolarHBondContact O-N 3.13Å; A275-I277 VanDerWaalsContact C-N 3.33Å; A275-I277 PolarHBondContact O-N 3.49Å
276P98.8Very high98.4Very high11 Ų1114.3 Ų14.37%0.0718%0.075CC..SBendtrans-69.6-28.8179.922.4-28.8000114.2H164 I252 H253 W643 Y646H164-P276 HydrophobicContact CB-CB 3.7Å; H164-P276 HydrophobicContact CB-CG 3.97Å; H164-P276 WeakPolarHBondContact ND1-CA 3.42Å; I252-P276 WeakPolarHBondContact O-CD 3.22Å; H253-P276 VanDerWaalsContact O-CD 3.31Å; H253-P276 WeakPolarHBondContact O-CD 3.24Å; H253-P276 VanDerWaalsContact O-CG 3.32Å; H253-P276 WeakPolarHBondContact O-CG 3.31Å; P276-W643 HydrophobicContact CG-CZ3 4.1Å; P276-Y646 HydrophobicContact CB-CD1 4.28Å; P276-Y646 HydrophobicContact CB-CD2 4.18Å; P276-Y646 HydrophobicContact CB-CE1 3.68Å; P276-Y646 HydrophobicContact CB-CE2 3.54Å; P276-Y646 WeakPolarHBondContact CB-OH 3.26Å; P276-Y646 HydrophobicContact CG-CE1 4.13Å
277I99Very high98.5Very high4 Ų413.2 Ų13.22%0.0217%0.072CC..EExtended strand (participates in β ladder)trans-124.8127.4179.5-55.8172.2000108H253 I254 L255 A275 Y295 M642 W643 Y646H253-I277 PolarHBondContact O-N 3.47Å; I254-I277 WeakPolarHBondContact CA-O 3.19Å; I254-I277 HydrophobicContact CD1-CD1 4.5Å; I254-I277 HydrophobicContact CG1-CB 4.12Å; I254-I277 HydrophobicContact CG1-CD1 4.16Å; I254-I277 HydrophobicContact CG1-CG2 4.28Å; I254-I277 HydrophobicContact CG2-CG2 4.32Å; L255-I277 PolarHBondContact N-O 2.72Å; A275-I277 VanDerWaalsContact C-N 3.33Å; A275-I277 PolarHBondContact O-N 3.49Å; I277-Y295 HydrophobicContact CG2-CD2 3.83Å; I277-Y295 HydrophobicContact CG2-CE2 4Å; I277-M642 HydrophobicContact CD1-CB 4.18Å; I277-M642 WeakPolarHBondContact CD1-O 3.31Å; I277-M642 HydrophobicContact CG2-CB 4.42Å; I277-M642 HydrophobicContact CG2-SD 4.41Å; I277-W643 HydrophobicContact CD1-CE3 4.07Å; I277-Y646 HydrophobicContact CD1-CG 4.19Å; I277-Y646 HydrophobicContact CG1-CD2 4.38Å; I277-Y646 HydrophobicContact CG1-CG 4.18Å
278Q99Very high98.5Very high0 Ų013 Ų130%07%0.071CC..EExtended strand (participates in β ladder)trans-127124.6177.3-52.3-167.1142.100111L255 F270 F292 M293 D294 Y295L255-Q278 HydrophobicContact CB-CG 4.39Å; L255-Q278 CarbonylContact O-C 3.47Å; L255-Q278 VanDerWaalsContact O-CA 3.25Å; L255-Q278 WeakPolarHBondContact O-CA 3.4Å; F270-Q278 HydrophobicContact CD1-CB 4.15Å; F270-Q278 HydrophobicContact CD1-CG 4.39Å; F270-Q278 PolarHBondContact O-NE2 2.66Å; Q278-F292 PolarHBondContact NE2-O 2.95Å; Q278-M293 HydrophobicContact CB-CE 4.04Å; Q278-M293 HydrophobicContact CB-SD 4.28Å; Q278-D294 PolarHBondContact N-OD2 2.9Å; Q278-D294 WeakPolarHBondContact O-CB 3.26Å; Q278-D294 PolarHBondContact O-N 3.47Å; Q278-Y295 PolarHBondContact O-N 2.77Å
279A99Very high98.5Very high0 Ų012.5 Ų12.50%07%0.07CC..EExtended strand (participates in β ladder)trans-123.9137.1-173.600000112.4L255 V256 N257 Y295 I297L255-A279 PolarHBondContact O-N 3.02Å; V256-A279 CarbonylContact C-O 3.29Å; V256-A279 WeakPolarHBondContact CA-O 3.2Å; N257-A279 PolarHBondContact N-O 2.91Å; A279-Y295 CarbonylContact C-O 3.33Å; A279-Y295 VanDerWaalsContact CA-O 3.3Å; A279-Y295 WeakPolarHBondContact CA-O 3.49Å; A279-I297 HydrophobicContact CB-CD1 4.23Å; A279-I297 HydrophobicContact CB-CG1 4.25Å
280M98.9Very high98.5Very high4 Ų412.5 Ų12.52%0.027%0.07CC..EExtended strand (participates in β ladder)trans-78135.8166.8-62.9-71.1-67.600109.4N257 Y284 M293 Y295 I296 I297 E313N257-M280 HydrophobicContact CB-SD 3.81Å; M280-Y284 HydrophobicContact CE-CD1 3.79Å; M280-Y284 HydrophobicContact CE-CG 4.31Å; M280-M293 HydrophobicContact CG-CB 4.26Å; M280-M293 HydrophobicContact CG-CE 3.79Å; M280-M293 HydrophobicContact CG-CG 4.15Å; M280-M293 HydrophobicContact SD-CE 3.74Å; M280-M293 HydrophobicContact SD-CG 3.93Å; M280-M293 HydrophobicContact SD-SD 4.23Å; M280-Y295 PolarHBondContact N-O 2.79Å; M280-I296 HydrophobicContact CB-CB 4.24Å; M280-I296 HydrophobicContact CB-CG1 4.05Å; M280-I297 PolarHBondContact O-N 3.33Å; M280-E313 HydrophobicContact CG-CG 4.33Å
281W98.9Very high98.5Very high5 Ų519.4 Ų19.42%0.01911%0.107CC..EExtended strand (participates in β ladder)trans-151133.8178.8179.155.5000112.9Y179 M193 I196 V256 N257 M258 G283 I297 Y631 L635Y179-W281 AromaticContact CD1-CE3 3.9Å; Y179-W281 HydrophobicContact CD1-CE3 3.9Å; Y179-W281 AromaticContact CD1-CZ3 3.64Å; Y179-W281 HydrophobicContact CD1-CZ3 3.64Å; Y179-W281 AromaticContact CE1-CE3 3.7Å; Y179-W281 HydrophobicContact CE1-CE3 3.7Å; Y179-W281 HydrophobicContact CE1-CH2 4.18Å; Y179-W281 AromaticContact CE1-CZ3 3.39Å; Y179-W281 HydrophobicContact CE1-CZ3 3.39Å; M193-W281 HydrophobicContact CB-CH2 3.75Å; M193-W281 HydrophobicContact CB-CZ2 4.44Å; M193-W281 HydrophobicContact CB-CZ3 4.45Å; M193-W281 HydrophobicContact CE-CH2 4.15Å; M193-W281 HydrophobicContact CE-CZ3 3.94Å; M193-W281 HydrophobicContact CG-CH2 4.04Å; M193-W281 HydrophobicContact CG-CZ3 4.24Å; I196-W281 HydrophobicContact CD1-CH2 3.74Å; I196-W281 HydrophobicContact CD1-CZ2 3.75Å; I196-W281 HydrophobicContact CG2-CH2 4.36Å; V256-W281 HydrophobicContact CG1-CB 3.48Å; V256-W281 VanDerWaalsContact CG1-CB 3.48Å; V256-W281 HydrophobicContact CG1-CD2 4.26Å; V256-W281 HydrophobicContact CG1-CE3 3.8Å; V256-W281 HydrophobicContact CG1-CG 4.2Å; N257-W281 PolarHBondContact O-N 3.48Å; M258-W281 HydrophobicContact CE-CE3 4.06Å; M258-W281 HydrophobicContact CE-CZ3 3.73Å; M258-W281 HydrophobicContact CG-CE3 3.92Å; M258-W281 HydrophobicContact CG-CZ3 4.44Å; M258-W281 HydrophobicContact SD-CE3 4.04Å; M258-W281 HydrophobicContact SD-CZ3 3.95Å; W281-G283 VanDerWaalsContact C-N 3.26Å; W281-G283 PolarHBondContact O-N 2.92Å; W281-I297 HydrophobicContact CB-CB 4.34Å; W281-I297 HydrophobicContact CB-CD1 4.13Å; W281-I297 HydrophobicContact CG-CB 4.39Å; W281-I297 HydrophobicContact CG-CD1 4.21Å; W281-Y631 AromaticContact CZ2-CE1 3.82Å; W281-Y631 HydrophobicContact CZ2-CE1 3.82Å; W281-Y631 AromaticContact NE1-CZ 3.96Å; W281-Y631 PolarHBondContact NE1-OH 3.36Å; W281-L635 HydrophobicContact CH2-CD2 4.47Å; W281-L635 HydrophobicContact CZ2-CD2 4.15Å
282L97.6Very high98.4Very high12 Ų1219.3 Ų19.36%0.06311%0.105CC..SBendtrans63.6-59.3165.7-167.364.7000117L192 M193 Y284 F323 I324L192-L282 HydrophobicContact CB-CD2 4.1Å; L192-L282 HydrophobicContact CD1-CD1 4.08Å; L192-L282 HydrophobicContact CD1-CD2 4.4Å; L192-L282 HydrophobicContact CD1-CG 4.31Å; M193-L282 HydrophobicContact CB-CD2 3.87Å; M193-L282 HydrophobicContact CG-CD2 3.81Å; L282-Y284 PolarHBondContact O-N 2.99Å; L282-F323 HydrophobicContact CD1-CD2 4.21Å; L282-F323 HydrophobicContact CD1-CE2 4.2Å; L282-I324 HydrophobicContact CD1-CG2 4.5Å; L282-I324 HydrophobicContact CD2-CG2 4.3Å
283G95.3Very high98.5Very high21 Ų2118.7 Ų18.722%0.21610%0.101CC..SBendtrans-79.4-10.2-164.500000116.4M258 W281M258-G283 WeakPolarHBondContact O-CA 3.43Å; W281-G283 VanDerWaalsContact C-N 3.26Å; W281-G283 PolarHBondContact O-N 2.92Å
284Y98.5Very high98.5Very high20 Ų2014.7 Ų14.78%0.0789%0.087CC..  trans-129.2117.3175.7-173.9-110.4000111.7P126 H127 N259 Y261 T262 M280 L282 G286 T287P126-Y284 VanDerWaalsContact C-OH 3.26Å; P126-Y284 VanDerWaalsContact CB-OH 3.31Å; P126-Y284 WeakPolarHBondContact CB-OH 3.34Å; H127-Y284 HydrophobicContact CB-CE2 4Å; H127-Y284 AromaticContact CD2-CE2 3.83Å; H127-Y284 PolarHBondContact N-OH 3.05Å; N259-Y284 WeakPolarHBondContact O-CB 3.26Å; Y261-Y284 AromaticContact CD2-CE1 4Å; Y261-Y284 HydrophobicContact CD2-CE1 4Å; Y261-Y284 HydrophobicContact CD2-CE2 4.39Å; Y261-Y284 AromaticContact CD2-CZ 3.77Å; T262-Y284 HydrophobicContact CG2-CD2 4.1Å; M280-Y284 HydrophobicContact CE-CD1 3.79Å; M280-Y284 HydrophobicContact CE-CG 4.31Å; L282-Y284 PolarHBondContact O-N 2.99Å; Y284-G286 WeakPolarHBondContact CD1-O 3.39Å; Y284-G286 WeakPolarHBondContact CE1-O 3.43Å; Y284-G286 PolarHBondContact O-N 3.29Å; Y284-T287 WeakPolarHBondContact CE1-O 3.29Å
285P98.2Very high98.5Very high18 Ų1814.8 Ų14.812%0.1179%0.088CC..SBendtrans-85.951.7-172.936.1-37.6000112.6M130 H549 L570 A571M130-P285 HydrophobicContact SD-CG 4.31Å; P285-H549 VanDerWaalsContact CB-CE1 3.48Å; P285-H549 WeakPolarHBondContact CB-CE1 3.48Å; P285-L570 HydrophobicContact CB-CD2 3.84Å; P285-A571 HydrophobicContact CB-CB 4.08Å; P285-A571 HydrophobicContact CG-CB 4.42Å
286G98.3Very high98.5Very high13 Ų1314.9 Ų14.913%0.1349%0.088CC..SBendtrans-174.1175.4179.300000114.1Y284Y284-G286 WeakPolarHBondContact CD1-O 3.39Å; Y284-G286 WeakPolarHBondContact CE1-O 3.43Å; Y284-G286 PolarHBondContact O-N 3.29Å
287T98.9Very high98.5Very high12 Ų1214.5 Ų14.57%0.0749%0.085CC..  trans-65141.1173.3-175.80000111.3K140 A143 Y284 G289 Q310 S312 E313K140-T287 HydrophobicContact CB-CG2 4.35Å; K140-T287 HydrophobicContact CG-CG2 4.29Å; A143-T287 HydrophobicContact CB-CG2 4.16Å; Y284-T287 WeakPolarHBondContact CE1-O 3.29Å; T287-G289 VanDerWaalsContact C-N 3.27Å; T287-G289 PolarHBondContact OG1-N 3.16Å; T287-Q310 WeakPolarHBondContact CG2-O 3.49Å; T287-S312 PolarHBondContact OG1-N 3.11Å; T287-S312 PolarHBondContact OG1-OG 3.39Å; T287-E313 PolarHBondContact OG1-OE2 3.12Å
288S98.7Very high98.5Very high4 Ų414.3 Ų14.33%0.0288%0.084CC..  trans-70.3-28.6163.571.20000110.9A143 Y261 A290 M293 E313A143-S288 CarbonylContact C-O 3.14Å; A143-S288 VanDerWaalsContact C-O 3.29Å; A143-S288 VanDerWaalsContact CB-O 3.29Å; A143-S288 WeakPolarHBondContact CB-O 3.48Å; Y261-S288 VanDerWaalsContact CE2-O 3.25Å; Y261-S288 WeakPolarHBondContact CE2-O 3.38Å; Y261-S288 PolarHBondContact OH-O 2.83Å; S288-A290 PolarHBondContact O-N 3.31Å; S288-A290 VanDerWaalsContact O-N 3.14Å; S288-A290 PolarHBondContact OG-N 3.34Å; S288-A290 VanDerWaalsContact OG-N 3.14Å; S288-M293 WeakPolarHBondContact OG-CB 3.41Å; S288-M293 WeakPolarHBondContact OG-CG 3.31Å; S288-E313 WeakPolarHBondContact CA-OE1 3.29Å; S288-E313 WeakPolarHBondContact CB-OE1 3.35Å; S288-E313 PolarHBondContact N-OE1 2.96Å; S288-E313 PolarHBondContact OG-OE1 3.13Å
289G98.5Very high98.5Very high5 Ų514.4 Ų14.45%0.0529%0.085CC..  trans70.12.4-173.700000112.8E144 T287 S312E144-G289 VanDerWaalsContact CA-O 3.25Å; E144-G289 WeakPolarHBondContact CA-O 3.38Å; E144-G289 WeakPolarHBondContact CB-O 3.49Å; T287-G289 VanDerWaalsContact C-N 3.27Å; T287-G289 PolarHBondContact OG1-N 3.16Å; G289-S312 VanDerWaalsContact C-OG 3.26Å; G289-S312 WeakPolarHBondContact CA-OG 3.44Å; G289-S312 PolarHBondContact N-OG 2.72Å
290A98.5Very high98.4Very high1 Ų120.2 Ų20.21%0.00811%0.112CC..  trans-104.4133.3-169.200000111.4S288 F292 M293 S312S288-A290 PolarHBondContact O-N 3.31Å; S288-A290 VanDerWaalsContact O-N 3.14Å; S288-A290 PolarHBondContact OG-N 3.34Å; S288-A290 VanDerWaalsContact OG-N 3.14Å; A290-F292 HydrophobicContact CB-CD1 3.88Å; A290-F292 HydrophobicContact CB-CD2 4.11Å; A290-F292 HydrophobicContact CB-CE1 3.49Å; A290-F292 VanDerWaalsContact CB-CE1 3.49Å; A290-F292 HydrophobicContact CB-CE2 3.72Å; A290-F292 HydrophobicContact CB-CG 4.18Å; A290-F292 HydrophobicContact CB-CZ 3.39Å; A290-F292 PolarHBondContact O-N 3.06Å; A290-F292 VanDerWaalsContact O-N 3.08Å; A290-M293 PolarHBondContact O-N 2.81Å; A290-M293 VanDerWaalsContact O-N 3.08Å; A290-S312 PolarHBondContact N-OG 3.2Å
291L98.1Very high98.4Very high147 Ų14723.4 Ų23.477%0.7713%0.127SC*.THydrogen-bonded Turntrans-63.6-17.9-179.6-65.1177.1000113.6R273 M293R273-L291 PolarHBondContact NH2-O 3.25Å; L291-M293 VanDerWaalsContact C-N 3.31Å
292F98.6Very high98.4Very high5 Ų523.1 Ų23.12%0.02213%0.126CC..THydrogen-bonded Turntrans-81.3-6.9177.657.1-109.4000113.7C150 L151 N267 F270 A271 R273 Q278 A290C150-F292 HydrophobicContact CB-CE1 4.34Å; C150-F292 HydrophobicContact CB-CZ 4.47Å; L151-F292 HydrophobicContact CD2-CD1 4.22Å; L151-F292 HydrophobicContact CG-CD1 4.48Å; N267-F292 HydrophobicContact CB-CZ 4.4Å; F270-F292 HydrophobicContact CB-CD2 3.71Å; F270-F292 HydrophobicContact CB-CE2 3.85Å; A271-F292 HydrophobicContact CB-CD1 3.69Å; A271-F292 HydrophobicContact CB-CE1 3.72Å; A271-F292 HydrophobicContact CB-CG 4.23Å; A271-F292 HydrophobicContact CB-CZ 4.29Å; R273-F292 HydrophobicContact CG-CB 4.16Å; Q278-F292 PolarHBondContact NE2-O 2.95Å; A290-F292 HydrophobicContact CB-CD1 3.88Å; A290-F292 HydrophobicContact CB-CD2 4.11Å; A290-F292 HydrophobicContact CB-CE1 3.49Å; A290-F292 VanDerWaalsContact CB-CE1 3.49Å; A290-F292 HydrophobicContact CB-CE2 3.72Å; A290-F292 HydrophobicContact CB-CG 4.18Å; A290-F292 HydrophobicContact CB-CZ 3.39Å; A290-F292 PolarHBondContact O-N 3.06Å; A290-F292 VanDerWaalsContact O-N 3.08Å
293M98.9Very high98.4Very high6 Ų622.6 Ų22.63%0.0312%0.123CC..  trans-99.5122.4171.5-61.2-52.1-56.200109.4N257 F270 Q278 M280 S288 A290 L291 E313N257-M293 HydrophobicContact CB-CE 3.65Å; N257-M293 HydrophobicContact CB-SD 4.34Å; F270-M293 HydrophobicContact CB-SD 3.89Å; F270-M293 HydrophobicContact CD1-CE 4.09Å; F270-M293 HydrophobicContact CD1-SD 3.75Å; F270-M293 HydrophobicContact CE1-CE 4.38Å; F270-M293 HydrophobicContact CG-SD 3.97Å; Q278-M293 HydrophobicContact CB-CE 4.04Å; Q278-M293 HydrophobicContact CB-SD 4.28Å; M280-M293 HydrophobicContact CG-CB 4.26Å; M280-M293 HydrophobicContact CG-CE 3.79Å; M280-M293 HydrophobicContact CG-CG 4.15Å; M280-M293 HydrophobicContact SD-CE 3.74Å; M280-M293 HydrophobicContact SD-CG 3.93Å; M280-M293 HydrophobicContact SD-SD 4.23Å; S288-M293 WeakPolarHBondContact OG-CB 3.41Å; S288-M293 WeakPolarHBondContact OG-CG 3.31Å; A290-M293 PolarHBondContact O-N 2.81Å; A290-M293 VanDerWaalsContact O-N 3.08Å; L291-M293 VanDerWaalsContact C-N 3.31Å; M293-E313 HydrophobicContact CB-CG 3.73Å
294D98.9Very high98.6Very high17 Ų1722.6 Ų22.69%0.09112%0.119CC..  trans-86.1-42.7-174.8-58-60.3000111.6Q278 K314 P652Q278-D294 PolarHBondContact N-OD2 2.9Å; Q278-D294 WeakPolarHBondContact O-CB 3.26Å; Q278-D294 PolarHBondContact O-N 3.47Å; D294-K314 WeakPolarHBondContact O-CB 3.32Å; D294-K314 PolarHBondContact O-N 3.36Å; D294-P652 HydrophobicContact CB-CB 4.06Å; D294-P652 HydrophobicContact CB-CG 3.62Å
295Y99Very high98.5Very high4 Ų424 Ų242%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-128.3152.7-173.7-68.8-77.9000112.9I277 Q278 A279 M280 E313 K314 A316 M642 P652 D653 M655I277-Y295 HydrophobicContact CG2-CD2 3.83Å; I277-Y295 HydrophobicContact CG2-CE2 4Å; Q278-Y295 PolarHBondContact O-N 2.77Å; A279-Y295 CarbonylContact C-O 3.33Å; A279-Y295 VanDerWaalsContact CA-O 3.3Å; A279-Y295 WeakPolarHBondContact CA-O 3.49Å; M280-Y295 PolarHBondContact N-O 2.79Å; Y295-E313 VanDerWaalsContact C-CB 3.44Å; Y295-K314 CarbonylContact C-O 3.53Å; Y295-K314 VanDerWaalsContact CA-O 3.28Å; Y295-K314 WeakPolarHBondContact CA-O 3.34Å; Y295-K314 HydrophobicContact CD1-CB 3.72Å; Y295-K314 HydrophobicContact CE1-CB 3.79Å; Y295-A316 HydrophobicContact CD1-CB 4Å; Y295-M642 HydrophobicContact CD1-CE 4.17Å; Y295-M642 HydrophobicContact CD2-CE 4.19Å; Y295-M642 HydrophobicContact CD2-CG 4.22Å; Y295-M642 HydrophobicContact CD2-SD 4.1Å; Y295-M642 HydrophobicContact CE2-CB 4.38Å; Y295-M642 HydrophobicContact CE2-CG 4.09Å; Y295-M642 HydrophobicContact CG-CE 3.81Å; Y295-M642 HydrophobicContact CG-SD 4.33Å; Y295-P652 HydrophobicContact CE1-CB 4.4Å; Y295-P652 HydrophobicContact CE2-CB 3.93Å; Y295-P652 HydrophobicContact CE2-CG 4.32Å; Y295-P652 WeakPolarHBondContact OH-CA 3.17Å; Y295-D653 VanDerWaalsContact CE1-O 3.23Å; Y295-D653 WeakPolarHBondContact CE1-O 3.27Å; Y295-D653 PolarHBondContact OH-N 3.23Å; Y295-D653 PolarHBondContact OH-O 2.77Å; Y295-M655 HydrophobicContact CE1-CG 3.93Å; Y295-M655 WeakPolarHBondContact OH-CE 3.45Å
296I98.9Very high98.5Very high4 Ų430.7 Ų30.72%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-118.8119.1160.5-175.2169.3000108.4M280 T298 Y311 E313 K314 L315 A316 L570M280-I296 HydrophobicContact CB-CB 4.24Å; M280-I296 HydrophobicContact CB-CG1 4.05Å; I296-T298 PolarHBondContact O-N 2.76Å; I296-Y311 HydrophobicContact CD1-CD1 3.96Å; I296-Y311 HydrophobicContact CD1-CE1 4.06Å; I296-Y311 HydrophobicContact CG2-CD1 4.4Å; I296-E313 HydrophobicContact CB-CB 3.96Å; I296-E313 HydrophobicContact CB-CG 4.33Å; I296-E313 HydrophobicContact CG2-CB 3.97Å; I296-K314 PolarHBondContact N-O 3.09Å; I296-L315 HydrophobicContact CG2-CD2 3.84Å; I296-A316 PolarHBondContact O-N 3.5Å; I296-L570 HydrophobicContact CD1-CD1 3.84Å
297I98.9Very high98.5Very high2 Ų231.3 Ų31.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-77.9109.9176.1-58.9178.5000107.5A279 M280 W281 A316 M318 L635 L638 Y639 M642A279-I297 HydrophobicContact CB-CD1 4.23Å; A279-I297 HydrophobicContact CB-CG1 4.25Å; M280-I297 PolarHBondContact O-N 3.33Å; W281-I297 HydrophobicContact CB-CB 4.34Å; W281-I297 HydrophobicContact CB-CD1 4.13Å; W281-I297 HydrophobicContact CG-CB 4.39Å; W281-I297 HydrophobicContact CG-CD1 4.21Å; I297-A316 WeakPolarHBondContact CA-O 3.27Å; I297-M318 HydrophobicContact CG2-CG 3.8Å; I297-M318 HydrophobicContact CG2-SD 4.25Å; I297-L635 HydrophobicContact CD1-CD1 3.91Å; I297-L635 HydrophobicContact CG2-CD1 4.23Å; I297-L638 HydrophobicContact CG1-CD2 4.33Å; I297-L638 HydrophobicContact CG2-CD2 3.95Å; I297-Y639 HydrophobicContact CD1-CE1 3.72Å; I297-M642 HydrophobicContact CD1-CE 4.42Å; I297-M642 HydrophobicContact CG1-CE 4.02Å
298T98.8Very high98.4Very high1 Ų131.9 Ų31.91%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-140.6-160.6-175.5-170.70000108.9I296 T302 S303 L315 A316 Y317 M318I296-T298 PolarHBondContact O-N 2.76Å; T298-T302 WeakPolarHBondContact OG1-CG2 3.26Å; T298-S303 WeakPolarHBondContact OG1-CB 3.33Å; T298-S303 PolarHBondContact OG1-OG 2.74Å; T298-L315 HydrophobicContact CG2-CB 4.44Å; T298-L315 HydrophobicContact CG2-CD2 4.12Å; T298-A316 PolarHBondContact N-O 3.25Å; T298-Y317 HydrophobicContact CG2-CD1 3.91Å; T298-Y317 HydrophobicContact CG2-CE1 3.94Å; T298-Y317 CarbonylContact O-C 3.53Å; T298-Y317 WeakPolarHBondContact O-CA 3.33Å; T298-M318 PolarHBondContact O-N 3.25Å
299D98.8Very high98.4Very high1 Ų138.4 Ų38.41%0.00520%0.202CC..  trans-146.3169.9173.660.785000110.3E301 T302 S303 T321 F322 S577D299-E301 VanDerWaalsContact C-N 3.3Å; D299-E301 PolarHBondContact O-N 3.41Å; D299-E301 WeakPolarHBondContact OD1-CA 3.42Å; D299-E301 WeakPolarHBondContact OD1-CB 3.45Å; D299-E301 PolarHBondContact OD1-N 3.01Å; D299-T302 VanDerWaalsContact CG-OG1 3.29Å; D299-T302 PolarHBondContact O-N 3.09Å; D299-T302 PolarHBondContact OD1-N 3.12Å; D299-T302 PolarHBondContact OD1-OG1 3.26Å; D299-T302 VanDerWaalsContact OD1-OG1 3.14Å; D299-T302 WeakPolarHBondContact OD2-CB 3.47Å; D299-T302 PolarHBondContact OD2-OG1 2.93Å; D299-S303 PolarHBondContact O-N 2.78Å; D299-T321 VanDerWaalsContact OD2-CA 3.32Å; D299-T321 WeakPolarHBondContact OD2-CA 3.23Å; D299-T321 PolarHBondContact OD2-OG1 3.08Å; D299-F322 WeakPolarHBondContact OD2-CD1 3.47Å; D299-F322 PolarHBondContact OD2-N 3.48Å; D299-S577 PolarHBondContact OD1-OG 3.1Å; D299-S577 PolarHBondContact OD2-OG 2.86Å
300Q98.4Very high98.4Very high123 Ų12338.8 Ų38.858%0.57520%0.202SC*.THydrogen-bonded Turntrans-60.8-37.2-177-176.6173.89.300113P304 Y317Q300-P304 VanDerWaalsContact O-CA 3.25Å; Q300-P304 WeakPolarHBondContact O-CA 3.46Å; Q300-P304 VanDerWaalsContact O-CB 3.3Å; Q300-P304 WeakPolarHBondContact O-CB 3.41Å; Q300-Y317 HydrophobicContact CB-CD2 4.06Å; Q300-Y317 HydrophobicContact CB-CE2 3.81Å; Q300-Y317 HydrophobicContact CG-CE2 4.24Å
301E98.3Very high98.4Very high70 Ų7039.2 Ų39.233%0.32720%0.204SC..THydrogen-bonded Turntrans-74.2-41.7-178-63-58.3145.700111D299 R573 T580D299-E301 VanDerWaalsContact C-N 3.3Å; D299-E301 PolarHBondContact O-N 3.41Å; D299-E301 WeakPolarHBondContact OD1-CA 3.42Å; D299-E301 WeakPolarHBondContact OD1-CB 3.45Å; D299-E301 PolarHBondContact OD1-N 3.01Å; E301-R573 VanDerWaalsContact O-CZ 3.24Å; E301-R573 PolarHBondContact O-NE 3.11Å; E301-R573 PolarHBondContact O-NH2 3.25Å; E301-T580 HydrophobicContact CG-CG2 3.77Å
302T98.7Very high98.4Very high0 Ų034.4 Ų34.40%018%0.183CC..THydrogen-bonded Turntrans-69.1-45.2178.3-61.90000112T298 D299 F322 L570 R573 S577T298-T302 WeakPolarHBondContact OG1-CG2 3.26Å; D299-T302 VanDerWaalsContact CG-OG1 3.29Å; D299-T302 PolarHBondContact O-N 3.09Å; D299-T302 PolarHBondContact OD1-N 3.12Å; D299-T302 PolarHBondContact OD1-OG1 3.26Å; D299-T302 VanDerWaalsContact OD1-OG1 3.14Å; D299-T302 WeakPolarHBondContact OD2-CB 3.47Å; D299-T302 PolarHBondContact OD2-OG1 2.93Å; T302-F322 HydrophobicContact CG2-CD1 4.08Å; T302-F322 HydrophobicContact CG2-CE1 3.7Å; T302-L570 HydrophobicContact CG2-CD1 4.41Å; T302-L570 HydrophobicContact CG2-CD2 3.96Å; T302-L570 HydrophobicContact CG2-CG 3.62Å; T302-R573 VanDerWaalsContact O-CD 3.29Å; T302-R573 WeakPolarHBondContact O-CD 3.49Å; T302-R573 PolarHBondContact O-NE 3.21Å; T302-S577 WeakPolarHBondContact OG1-CB 3.38Å; T302-S577 PolarHBondContact OG1-OG 3.33Å
303S98.7Very high98.4Very high0 Ų034.4 Ų34.40%018%0.182CC..SBendtrans-134.568.5-171.5-61.20000110.8T298 D299 Y311 Y317T298-S303 WeakPolarHBondContact OG1-CB 3.33Å; T298-S303 PolarHBondContact OG1-OG 2.74Å; D299-S303 PolarHBondContact O-N 2.78Å; S303-Y311 VanDerWaalsContact OG-CZ 3.31Å; S303-Y311 PolarHBondContact OG-OH 3.06Å; S303-Y317 PolarHBondContact O-OH 3.02Å
304P98.1Very high98.4Very high22 Ų2237.1 Ų37.114%0.14319%0.194CC..  trans-64.7155.4-177.331.1-37.1000110.8Q300 E306 V307Q300-P304 VanDerWaalsContact O-CA 3.25Å; Q300-P304 WeakPolarHBondContact O-CA 3.46Å; Q300-P304 VanDerWaalsContact O-CB 3.3Å; Q300-P304 WeakPolarHBondContact O-CB 3.41Å; P304-E306 VanDerWaalsContact CB-OE2 3.3Å; P304-E306 WeakPolarHBondContact CB-OE2 3.35Å; P304-E306 PolarHBondContact O-N 3.36Å; P304-E306 VanDerWaalsContact O-N 3.11Å; P304-V307 HydrophobicContact CG-CG2 3.87Å; P304-V307 VanDerWaalsContact O-CG2 3.23Å; P304-V307 WeakPolarHBondContact O-CG2 3.44Å; P304-V307 PolarHBondContact O-N 3.43Å
305A97.3Very high98.4Very high50 Ų5036.4 Ų36.441%0.41319%0.19SC..G310 helixtrans-62.2-27.3-167.700000112.9V307 A308 Y317A305-V307 PolarHBondContact O-N 3Å; A305-A308 WeakPolarHBondContact O-CB 3.46Å; A305-A308 PolarHBondContact O-N 2.92Å; A305-A308 VanDerWaalsContact O-N 3.14Å; A305-Y317 PolarHBondContact N-OH 3.05Å
306E97.6Very high98.4Very high157 Ų15736.2 Ų36.273%0.73419%0.189SC*.G310 helixtrans-65.1-24.3179.7-56.475.7-164.300112.4P304P304-E306 VanDerWaalsContact CB-OE2 3.3Å; P304-E306 WeakPolarHBondContact CB-OE2 3.35Å; P304-E306 PolarHBondContact O-N 3.36Å; P304-E306 VanDerWaalsContact O-N 3.11Å
307V97.7Very high98.4Very high27 Ų2737.5 Ų37.516%0.16419%0.194CC..G310 helixtrans-106.814.9177.4-58.30000112.4P304 A305 E309 Q310P304-V307 HydrophobicContact CG-CG2 3.87Å; P304-V307 VanDerWaalsContact O-CG2 3.23Å; P304-V307 WeakPolarHBondContact O-CG2 3.44Å; P304-V307 PolarHBondContact O-N 3.43Å; A305-V307 PolarHBondContact O-N 3Å; V307-E309 PolarHBondContact O-N 2.93Å; V307-Q310 VanDerWaalsContact O-CG 3.26Å; V307-Q310 WeakPolarHBondContact O-CG 3.36Å; V307-Q310 PolarHBondContact O-N 2.96Å; V307-Q310 VanDerWaalsContact O-N 3.08Å
308A98.1Very high98.4Very high24 Ų2437.7 Ų37.720%0.19820%0.195CC..G310 helixtrans-55.9-27.4179.600000112.8A305 Q310 Y311 L315A305-A308 WeakPolarHBondContact O-CB 3.46Å; A305-A308 PolarHBondContact O-N 2.92Å; A305-A308 VanDerWaalsContact O-N 3.14Å; A308-Q310 PolarHBondContact O-N 3.14Å; A308-Q310 VanDerWaalsContact O-N 3.17Å; A308-Y311 PolarHBondContact O-N 3.28Å; A308-Y311 VanDerWaalsContact O-N 3.13Å; A308-L315 HydrophobicContact CB-CD1 3.84Å; A308-L315 HydrophobicContact CB-CG 4.49Å
309E97.5Very high98.3Very high140 Ų14041.1 Ų41.165%0.65422%0.217SC*.G310 helixtrans-61.7-20.3178.162.7168.3-156.600114.6K140 V307 Y311K140-E309 WeakPolarHBondContact CE-O 3.4Å; K140-E309 PolarHBondContact NZ-O 3.08Å; V307-E309 PolarHBondContact O-N 2.93Å; E309-Y311 PolarHBondContact O-N 3.06Å
310Q98.4Very high98.3Very high14 Ų1444.9 Ų44.97%0.06524%0.235CC..G310 helixtrans-73.9-12.317881.8-176.7-57.600112.8H136 T287 V307 A308 E568H136-Q310 HydrophobicContact CB-CB 3.8Å; T287-Q310 WeakPolarHBondContact CG2-O 3.49Å; V307-Q310 VanDerWaalsContact O-CG 3.26Å; V307-Q310 WeakPolarHBondContact O-CG 3.36Å; V307-Q310 PolarHBondContact O-N 2.96Å; V307-Q310 VanDerWaalsContact O-N 3.08Å; A308-Q310 PolarHBondContact O-N 3.14Å; A308-Q310 VanDerWaalsContact O-N 3.17Å; Q310-E568 PolarHBondContact NE2-O 3.45Å; Q310-E568 VanDerWaalsContact NE2-O 3.13Å
311Y98.8Very high98.3Very high10 Ų1039.3 Ų39.34%0.03921%0.209CC..  trans-106.7148.7-179.4-50.6-80.7000111.4I296 S303 A308 E309 L315 L570I296-Y311 HydrophobicContact CD1-CD1 3.96Å; I296-Y311 HydrophobicContact CD1-CE1 4.06Å; I296-Y311 HydrophobicContact CG2-CD1 4.4Å; S303-Y311 VanDerWaalsContact OG-CZ 3.31Å; S303-Y311 PolarHBondContact OG-OH 3.06Å; A308-Y311 PolarHBondContact O-N 3.28Å; A308-Y311 VanDerWaalsContact O-N 3.13Å; E309-Y311 PolarHBondContact O-N 3.06Å; Y311-L315 HydrophobicContact CD2-CD2 3.63Å; Y311-L315 HydrophobicContact CE2-CD2 4.02Å; Y311-L315 HydrophobicContact CG-CD2 4.1Å; Y311-L570 HydrophobicContact CE1-CB 4.3Å; Y311-L570 HydrophobicContact CE1-CD1 3.91Å; Y311-L570 WeakPolarHBondContact OH-CB 3.23Å
312S98.7Very high98.3Very high46 Ų4636.2 Ų36.232%0.32220%0.195SC..SBendtrans-88.3-31.5166.7550000111.6T287 G289 A290T287-S312 PolarHBondContact OG1-N 3.11Å; T287-S312 PolarHBondContact OG1-OG 3.39Å; G289-S312 VanDerWaalsContact C-OG 3.26Å; G289-S312 WeakPolarHBondContact CA-OG 3.44Å; G289-S312 PolarHBondContact N-OG 2.72Å; A290-S312 PolarHBondContact N-OG 3.2Å
313E98.8Very high98.3Very high4 Ų436.5 Ų36.52%0.01920%0.196CC..SBendtrans-76.6158.8179.6-53.386.316900111.8M280 T287 S288 M293 Y295 I296M280-E313 HydrophobicContact CG-CG 4.33Å; T287-E313 PolarHBondContact OG1-OE2 3.12Å; S288-E313 WeakPolarHBondContact CA-OE1 3.29Å; S288-E313 WeakPolarHBondContact CB-OE1 3.35Å; S288-E313 PolarHBondContact N-OE1 2.96Å; S288-E313 PolarHBondContact OG-OE1 3.13Å; M293-E313 HydrophobicContact CB-CG 3.73Å; Y295-E313 VanDerWaalsContact C-CB 3.44Å; I296-E313 HydrophobicContact CB-CB 3.96Å; I296-E313 HydrophobicContact CB-CG 4.33Å; I296-E313 HydrophobicContact CG2-CB 3.97Å
314K98.8Very high98.3Very high64 Ų6436.5 Ų36.528%0.27820%0.196SC..EExtended strand (participates in β ladder)trans-74.9136.5168-62.7-63.4-171.1157.30110.3D294 Y295 I296 A316 P652 D653D294-K314 WeakPolarHBondContact O-CB 3.32Å; D294-K314 PolarHBondContact O-N 3.36Å; Y295-K314 CarbonylContact C-O 3.53Å; Y295-K314 VanDerWaalsContact CA-O 3.28Å; Y295-K314 WeakPolarHBondContact CA-O 3.34Å; Y295-K314 HydrophobicContact CD1-CB 3.72Å; Y295-K314 HydrophobicContact CE1-CB 3.79Å; I296-K314 PolarHBondContact N-O 3.09Å; K314-A316 PolarHBondContact O-N 3.1Å; K314-P652 WeakPolarHBondContact CE-O 3.3Å; K314-P652 HydrophobicContact CG-CB 4.07Å; K314-D653 IonicContact NZ-OD1 2.99Å; K314-D653 PolarHBondContact NZ-OD1 3.46Å
315L98.9Very high98.3Very high1 Ų135.4 Ų35.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-68.8130.8176.8-54.5-178.6000109.9I296 T298 A308 Y311 Y317 H654 M655 I656I296-L315 HydrophobicContact CG2-CD2 3.84Å; T298-L315 HydrophobicContact CG2-CB 4.44Å; T298-L315 HydrophobicContact CG2-CD2 4.12Å; A308-L315 HydrophobicContact CB-CD1 3.84Å; A308-L315 HydrophobicContact CB-CG 4.49Å; Y311-L315 HydrophobicContact CD2-CD2 3.63Å; Y311-L315 HydrophobicContact CE2-CD2 4.02Å; Y311-L315 HydrophobicContact CG-CD2 4.1Å; L315-Y317 HydrophobicContact CB-CD1 4.29Å; L315-Y317 HydrophobicContact CB-CE1 3.8Å; L315-Y317 HydrophobicContact CD1-CE1 3.97Å; L315-Y317 HydrophobicContact CG-CE1 4.44Å; L315-H654 PolarHBondContact N-ND1 3.41Å; L315-H654 WeakPolarHBondContact O-CA 3.42Å; L315-M655 PolarHBondContact O-N 2.88Å; L315-I656 HydrophobicContact CB-CG2 3.79Å
316A98.8Very high98.4Very high0 Ų033.1 Ų33.10%017%0.17CC..EExtended strand (participates in β ladder)trans-125.5110.2172.800000109.3Y295 I296 I297 T298 K314 L638 M642 M655Y295-A316 HydrophobicContact CD1-CB 4Å; I296-A316 PolarHBondContact O-N 3.5Å; I297-A316 WeakPolarHBondContact CA-O 3.27Å; T298-A316 PolarHBondContact N-O 3.25Å; K314-A316 PolarHBondContact O-N 3.1Å; A316-L638 HydrophobicContact CB-CD1 4.11Å; A316-L638 HydrophobicContact CB-CD2 4.05Å; A316-L638 HydrophobicContact CB-CG 4.38Å; A316-M642 HydrophobicContact CB-CE 3.3Å; A316-M655 HydrophobicContact CB-CB 4.26Å
317Y98.8Very high98.5Very high32 Ų3225.7 Ų25.713%0.12514%0.135CC..EExtended strand (participates in β ladder)trans-87.9122.8-170.1-72.4-4.3000112.4T298 Q300 S303 A305 L315 M655 I656T298-Y317 HydrophobicContact CG2-CD1 3.91Å; T298-Y317 HydrophobicContact CG2-CE1 3.94Å; T298-Y317 CarbonylContact O-C 3.53Å; T298-Y317 WeakPolarHBondContact O-CA 3.33Å; Q300-Y317 HydrophobicContact CB-CD2 4.06Å; Q300-Y317 HydrophobicContact CB-CE2 3.81Å; Q300-Y317 HydrophobicContact CG-CE2 4.24Å; S303-Y317 PolarHBondContact O-OH 3.02Å; A305-Y317 PolarHBondContact N-OH 3.05Å; L315-Y317 HydrophobicContact CB-CD1 4.29Å; L315-Y317 HydrophobicContact CB-CE1 3.8Å; L315-Y317 HydrophobicContact CD1-CE1 3.97Å; L315-Y317 HydrophobicContact CG-CE1 4.44Å; Y317-M655 PolarHBondContact N-O 3.12Å; Y317-I656 HydrophobicContact CD1-CG2 3.91Å; Y317-I656 HydrophobicContact CD2-CB 3.73Å; Y317-I656 HydrophobicContact CD2-CG2 3.81Å; Y317-I656 HydrophobicContact CE1-CG2 3.72Å; Y317-I656 HydrophobicContact CE2-CB 3.62Å; Y317-I656 HydrophobicContact CE2-CG2 3.6Å; Y317-I656 HydrophobicContact CG-CB 4.28Å; Y317-I656 HydrophobicContact CG-CG2 3.94Å
318M98.5Very high98.5Very high6 Ų625.6 Ų25.63%0.0314%0.137CC..  trans-67.1146.8152.4-66.3-63.3-71.400108.9I297 T298 H320 F322 Y631 E634 L635 L638I297-M318 HydrophobicContact CG2-CG 3.8Å; I297-M318 HydrophobicContact CG2-SD 4.25Å; T298-M318 PolarHBondContact O-N 3.25Å; M318-H320 VanDerWaalsContact C-N 3.26Å; M318-H320 PolarHBondContact O-N 3.33Å; M318-F322 HydrophobicContact CG-CB 4.34Å; M318-Y631 HydrophobicContact CE-CD1 4.26Å; M318-Y631 HydrophobicContact CE-CD2 3.91Å; M318-Y631 HydrophobicContact CE-CE1 4.06Å; M318-Y631 HydrophobicContact CE-CE2 3.73Å; M318-Y631 HydrophobicContact CE-CG 4.18Å; M318-E634 HydrophobicContact CE-CB 3.79Å; M318-L635 HydrophobicContact CE-CB 4.08Å; M318-L635 HydrophobicContact SD-CB 4.28Å; M318-L635 HydrophobicContact SD-CD1 3.88Å; M318-L638 HydrophobicContact CG-CD2 4.47Å; M318-L638 HydrophobicContact SD-CD2 3.93Å
319P97.7Very high98.5Very high72 Ų7228 Ų2847%0.46815%0.147SC..SBendtrans-70.7-16.8-171.828.6-38.3000114.7E634P319-E634 HydrophobicContact CG-CB 3.93Å; P319-E634 HydrophobicContact CG-CG 3.66Å; P319-E634 WeakPolarHBondContact CG-OE2 3.44Å
320H97.7Very high98.6Very high80 Ų8021.6 Ų21.637%0.3712%0.117SC..SBendtrans-126.1-73.2-178.5-57.9-50.9000111.4M318 C581 P624M318-H320 VanDerWaalsContact C-N 3.26Å; M318-H320 PolarHBondContact O-N 3.33Å; H320-C581 HydrophobicContact CB-CB 4.24Å; H320-P624 VanDerWaalsContact CD2-CG 3.49Å; H320-P624 WeakPolarHBondContact CD2-CG 3.44Å
321T98.8Very high98.6Very high6 Ų621 Ų214%0.03711%0.114CC..  trans-141.7146.5174.4-179.60000108.6D299 F323 S577 C581 L625D299-T321 VanDerWaalsContact OD2-CA 3.32Å; D299-T321 WeakPolarHBondContact OD2-CA 3.23Å; D299-T321 PolarHBondContact OD2-OG1 3.08Å; T321-F323 WeakPolarHBondContact CG2-O 3.48Å; T321-F323 PolarHBondContact O-N 3.35Å; T321-F323 PolarHBondContact OG1-N 2.62Å; T321-F323 VanDerWaalsContact OG1-N 3.17Å; T321-S577 WeakPolarHBondContact CB-OG 3.49Å; T321-S577 PolarHBondContact OG1-OG 2.98Å; T321-C581 HydrophobicContact CG2-CB 3.65Å; T321-L625 HydrophobicContact CG2-CD1 3.86Å
322F98.7Very high98.6Very high5 Ų522 Ų222%0.02212%0.121CC..SBendtrans-72.5-16.5170.288.5-76.6000112.2D299 T302 M318 L570 V574 Y631D299-F322 WeakPolarHBondContact OD2-CD1 3.47Å; D299-F322 PolarHBondContact OD2-N 3.48Å; T302-F322 HydrophobicContact CG2-CD1 4.08Å; T302-F322 HydrophobicContact CG2-CE1 3.7Å; M318-F322 HydrophobicContact CG-CB 4.34Å; F322-L570 HydrophobicContact CE1-CD2 4.38Å; F322-L570 HydrophobicContact CZ-CD2 4.07Å; F322-V574 HydrophobicContact CE1-CG2 4.21Å; F322-V574 HydrophobicContact CZ-CG2 4.31Å; F322-Y631 WeakPolarHBondContact O-CE2 3.49Å; F322-Y631 PolarHBondContact O-OH 3.44Å
323F98.6Very high98.6Very high6 Ų619.9 Ų19.93%0.02611%0.107CC..  trans-79.6145.9-178.2-137.8-93.5000111.3L192 L282 T321 H549 M553 V574 Q578L192-F323 HydrophobicContact CD1-CE1 3.71Å; L192-F323 HydrophobicContact CD1-CE2 4.47Å; L192-F323 HydrophobicContact CD1-CZ 3.58Å; L192-F323 HydrophobicContact CD2-CE1 3.97Å; L192-F323 HydrophobicContact CG-CE1 4.49Å; L282-F323 HydrophobicContact CD1-CD2 4.21Å; L282-F323 HydrophobicContact CD1-CE2 4.2Å; T321-F323 WeakPolarHBondContact CG2-O 3.48Å; T321-F323 PolarHBondContact O-N 3.35Å; T321-F323 PolarHBondContact OG1-N 2.62Å; T321-F323 VanDerWaalsContact OG1-N 3.17Å; F323-H549 WeakPolarHBondContact CE1-O 3.28Å; F323-H549 HydrophobicContact CE2-CB 3.75Å; F323-H549 VanDerWaalsContact CZ-C 3.41Å; F323-H549 HydrophobicContact CZ-CB 3.57Å; F323-M553 HydrophobicContact CD1-CG 3.41Å; F323-M553 VanDerWaalsContact CD1-CG 3.41Å; F323-M553 HydrophobicContact CD1-SD 3.76Å; F323-M553 HydrophobicContact CE1-CG 3.46Å; F323-M553 VanDerWaalsContact CE1-CG 3.46Å; F323-M553 HydrophobicContact CE1-SD 4.41Å; F323-V574 HydrophobicContact CB-CG1 4.49Å; F323-V574 HydrophobicContact CD2-CG1 3.57Å; F323-V574 HydrophobicContact CE2-CG1 3.97Å; F323-V574 HydrophobicContact CG-CG1 4.02Å; F323-Q578 HydrophobicContact CB-CG 4.25Å; F323-Q578 VanDerWaalsContact CD1-NE2 3.31Å
324I98.7Very high98.6Very high0 Ų019.7 Ų19.70%011%0.106CC..  trans-144164.3178.7-166.653.2000109L192 I196 L282 T628 Y631L192-I324 WeakPolarHBondContact CB-O 3.5Å; L192-I324 VanDerWaalsContact CD2-O 3.22Å; L192-I324 WeakPolarHBondContact CD2-O 3.48Å; I196-I324 HydrophobicContact CD1-CG1 4.45Å; I196-I324 HydrophobicContact CD1-CG2 3.96Å; L282-I324 HydrophobicContact CD1-CG2 4.5Å; L282-I324 HydrophobicContact CD2-CG2 4.3Å; I324-T628 HydrophobicContact CD1-CG2 4.14Å; I324-T628 HydrophobicContact CG1-CG2 3.97Å; I324-Y631 HydrophobicContact CB-CD1 4.33Å; I324-Y631 HydrophobicContact CB-CD2 3.79Å; I324-Y631 HydrophobicContact CB-CE1 4.32Å; I324-Y631 HydrophobicContact CB-CE2 3.74Å; I324-Y631 HydrophobicContact CB-CG 4.08Å; I324-Y631 HydrophobicContact CD1-CD2 3.73Å; I324-Y631 HydrophobicContact CD1-CG 3.75Å; I324-Y631 HydrophobicContact CG1-CD1 4.13Å; I324-Y631 HydrophobicContact CG1-CD2 3.89Å; I324-Y631 HydrophobicContact CG1-CE2 4.34Å; I324-Y631 HydrophobicContact CG1-CG 3.76Å; I324-Y631 HydrophobicContact CG2-CE1 4.28Å; I324-Y631 HydrophobicContact CG2-CE2 4.37Å
325G98.2Very high98.5Very high0 Ų021 Ų210%011%0.111CC..  trans-149138.917600000111.9L192 H327L192-G325 CarbonylContact O-C 3.45Å; G325-H327 WeakPolarHBondContact CA-ND1 3.38Å; G325-H327 PolarHBondContact O-N 3.15Å
326D98.7Very high98.3Very high1 Ų128 Ų281%0.00514%0.142CC..THydrogen-bonded Turntrans-84.312.7178.9-159.854000112.7H191 L192 Q194 S195 A328 N329 M330H191-D326 VanDerWaalsContact O-CB 3.28Å; H191-D326 WeakPolarHBondContact O-CB 3.33Å; H191-D326 PolarHBondContact O-N 2.72Å; L192-D326 PolarHBondContact O-N 2.92Å; Q194-D326 VanDerWaalsContact CD-OD2 3.3Å; Q194-D326 HydrophobicContact CG-CB 4.14Å; Q194-D326 WeakPolarHBondContact CG-OD2 3.48Å; Q194-D326 PolarHBondContact NE2-OD2 2.83Å; S195-D326 WeakPolarHBondContact CB-OD1 3.34Å; S195-D326 PolarHBondContact OG-OD1 2.94Å; D326-A328 PolarHBondContact O-N 3.32Å; D326-A328 VanDerWaalsContact O-N 3.1Å; D326-N329 WeakPolarHBondContact O-CA 3.25Å; D326-N329 PolarHBondContact O-N 3.01Å; D326-N329 PolarHBondContact OD2-ND2 3.31Å; D326-M330 HydrophobicContact CB-CG 4.24Å; D326-M330 HydrophobicContact CB-SD 4.23Å; D326-M330 PolarHBondContact O-N 3.4Å
327H98.7Very high98.3Very high1 Ų128.6 Ų28.61%0.00514%0.144CC..Hα-helixtrans-56.9-31.7-174.2-56.866.7000113.7G325 N329 F331 M553 D554 W557 F626G325-H327 WeakPolarHBondContact CA-ND1 3.38Å; G325-H327 PolarHBondContact O-N 3.15Å; H327-N329 PolarHBondContact O-N 3.49Å; H327-F331 HydrophobicContact CB-CD2 4.04Å; H327-F331 AromaticContact CD2-CD2 3.9Å; H327-F331 AromaticContact CD2-CE2 3.89Å; H327-F331 CarbonylContact O-C 3.58Å; H327-F331 WeakPolarHBondContact O-CA 3.24Å; H327-F331 PolarHBondContact O-N 3.22Å; H327-M553 VanDerWaalsContact CE1-CB 3.42Å; H327-M553 WeakPolarHBondContact CE1-CB 3.5Å; H327-D554 IonicContact CD2-OD1 2.71Å; H327-D554 IonicContact CE1-OD1 2.77Å; H327-D554 IonicContact NE2-OD1 3.77Å; H327-D554 PolarHBondContact NE2-OD1 3.28Å; H327-W557 HydrophobicContact CB-CB 3.96Å; H327-W557 HydrophobicContact CB-CD2 3.42Å; H327-W557 VanDerWaalsContact CB-CD2 3.42Å; H327-W557 HydrophobicContact CB-CE3 3.89Å; H327-W557 HydrophobicContact CB-CG 3.44Å; H327-W557 VanDerWaalsContact CB-CG 3.44Å; H327-W557 AromaticContact CD2-CG 4Å; H327-W557 WeakPolarHBondContact O-CZ2 3.4Å; H327-F626 HydrophobicContact CB-CD1 3.87Å; H327-F626 HydrophobicContact CB-CE1 3.89Å; H327-F626 AromaticContact CG-CE1 3.66Å; H327-F626 AromaticContact ND1-CD1 3.88Å; H327-F626 AromaticContact ND1-CE1 3.53Å
328A98.5Very high98.2Very high25 Ų2527 Ų2721%0.20714%0.138CC..Hα-helixtrans-65.1-26.2176.800000113.8D326 K335 W557D326-A328 PolarHBondContact O-N 3.32Å; D326-A328 VanDerWaalsContact O-N 3.1Å; A328-K335 VanDerWaalsContact O-CE 3.29Å; A328-K335 WeakPolarHBondContact O-CE 3.21Å; A328-K335 PolarHBondContact O-NZ 3.23Å; A328-K335 VanDerWaalsContact O-NZ 3.16Å; A328-W557 HydrophobicContact CB-CH2 3.63Å; A328-W557 HydrophobicContact CB-CZ2 4.29Å; A328-W557 HydrophobicContact CB-CZ3 4.12Å
329N98.5Very high98.2Very high75 Ų7526.9 Ų26.940%0.40114%0.138SC..Hα-helixtrans-97.1-43.1176.5174.363.5000111.9D326 H327 P332D326-N329 WeakPolarHBondContact O-CA 3.25Å; D326-N329 PolarHBondContact O-N 3.01Å; D326-N329 PolarHBondContact OD2-ND2 3.31Å; H327-N329 PolarHBondContact O-N 3.49Å; N329-P332 VanDerWaalsContact O-CD 3.26Å; N329-P332 WeakPolarHBondContact O-CD 3.24Å
330M98.6Very high98.2Very high5 Ų523.7 Ų23.73%0.02512%0.117CC..Hα-helixtrans-71.4-39.8-179.9-68.2-1796700113.4H191 Q194 F220 D326 P332 G439H191-M330 HydrophobicContact CB-CE 4.39Å; H191-M330 HydrophobicContact CB-SD 4.05Å; Q194-M330 VanDerWaalsContact NE2-CG 3.32Å; Q194-M330 PolarHBondContact NE2-SD 3.47Å; F220-M330 HydrophobicContact CE1-CE 3.51Å; F220-M330 HydrophobicContact CE1-SD 4.17Å; F220-M330 HydrophobicContact CZ-CE 3.74Å; D326-M330 HydrophobicContact CB-CG 4.24Å; D326-M330 HydrophobicContact CB-SD 4.23Å; D326-M330 PolarHBondContact O-N 3.4Å; M330-P332 WeakPolarHBondContact O-CD 3.48Å; M330-G439 WeakPolarHBondContact CE-O 3.3Å
331F98.8Very high98.1Very high1 Ų120.9 Ų20.90%0.00410%0.104CC..  trans-126.251.8-172-43.3-61.8000113.3H327 H333 L334 K527 E528 V531 W557H327-F331 HydrophobicContact CB-CD2 4.04Å; H327-F331 AromaticContact CD2-CD2 3.9Å; H327-F331 AromaticContact CD2-CE2 3.89Å; H327-F331 CarbonylContact O-C 3.58Å; H327-F331 WeakPolarHBondContact O-CA 3.24Å; H327-F331 PolarHBondContact O-N 3.22Å; F331-H333 PolarHBondContact O-N 3.11Å; F331-L334 HydrophobicContact CB-CD1 3.9Å; F331-L334 HydrophobicContact CB-CG 4.08Å; F331-L334 WeakPolarHBondContact O-CB 3.4Å; F331-L334 PolarHBondContact O-N 3.09Å; F331-L334 VanDerWaalsContact O-N 3.09Å; F331-K527 HydrophobicContact CZ-CG 3.87Å; F331-E528 HydrophobicContact CD1-CB 4.5Å; F331-E528 HydrophobicContact CD1-CG 4.31Å; F331-E528 HydrophobicContact CE1-CB 4.15Å; F331-E528 HydrophobicContact CE1-CG 4.45Å; F331-V531 HydrophobicContact CD2-CB 4.44Å; F331-V531 HydrophobicContact CD2-CG1 4.11Å; F331-V531 HydrophobicContact CD2-CG2 4.25Å; F331-V531 HydrophobicContact CE2-CB 4.4Å; F331-V531 HydrophobicContact CE2-CG1 4.45Å; F331-V531 HydrophobicContact CE2-CG2 3.78Å; F331-V531 HydrophobicContact CZ-CG2 4.09Å; F331-W557 PolarHBondContact O-NE1 3.33Å
332P98.6Very high97.8Very high31 Ų3123.3 Ų23.320%0.20111%0.114CC..G310 helixtrans-67.5-22.9-178.727.9-33.8000112.5N329 M330 L334 K335 I358 V442N329-P332 VanDerWaalsContact O-CD 3.26Å; N329-P332 WeakPolarHBondContact O-CD 3.24Å; M330-P332 WeakPolarHBondContact O-CD 3.48Å; P332-L334 PolarHBondContact O-N 2.97Å; P332-K335 HydrophobicContact CB-CD 4.32Å; P332-K335 VanDerWaalsContact O-CB 3.27Å; P332-K335 WeakPolarHBondContact O-CB 3.38Å; P332-K335 WeakPolarHBondContact O-CG 3.41Å; P332-K335 PolarHBondContact O-N 3.18Å; P332-I358 HydrophobicContact CB-CD1 4.34Å; P332-I358 HydrophobicContact CG-CD1 4.13Å; P332-V442 HydrophobicContact CG-CB 4.37Å; P332-V442 HydrophobicContact CG-CG1 3.72Å; P332-V442 HydrophobicContact CG-CG2 3.66Å
333H98.6Very high96.9Very high2 Ų226.4 Ų26.41%0.00913%0.128CC..G310 helixtrans-63.1-20.617365-59.8000112.9F331 G357 I358 E528F331-H333 PolarHBondContact O-N 3.11Å; H333-G357 PolarHBondContact O-N 2.85Å; H333-I358 HydrophobicContact CB-CD1 4.02Å; H333-I358 HydrophobicContact CB-CG1 4.28Å; H333-E528 IonicContact CD2-OE1 3.39Å; H333-E528 IonicContact CE1-OE1 3.83Å; H333-E528 IonicContact NE2-OE1 3.21Å; H333-E528 PolarHBondContact NE2-OE1 3.47Å
334L98.6Very high95.8Very high0 Ų029.8 Ų29.80%015%0.152CC..G310 helixtrans-87.7-0.2174.6-52.6-175.4000113.3F331 P332 K336 N356 V531 R532 R620F331-L334 HydrophobicContact CB-CD1 3.9Å; F331-L334 HydrophobicContact CB-CG 4.08Å; F331-L334 WeakPolarHBondContact O-CB 3.4Å; F331-L334 PolarHBondContact O-N 3.09Å; F331-L334 VanDerWaalsContact O-N 3.09Å; P332-L334 PolarHBondContact O-N 2.97Å; L334-K336 PolarHBondContact O-N 2.85Å; L334-N356 HydrophobicContact CD2-CB 3.76Å; L334-V531 HydrophobicContact CD1-CB 4.39Å; L334-V531 HydrophobicContact CD1-CG1 3.72Å; L334-R532 HydrophobicContact CD1-CB 4.18Å; L334-R532 HydrophobicContact CD2-CB 4.04Å; L334-R532 HydrophobicContact CD2-CG 3.91Å; L334-R620 PolarHBondContact O-NH1 3.48Å; L334-R620 PolarHBondContact O-NH2 3.3Å
335K97Very high94.9Very high92 Ų9234 Ų3440%0.418%0.175SC..G310 helixtrans-64.3-28.4174.9-71.1178.8-176.7178.60112.2A328 P332 W557 R620 I621A328-K335 VanDerWaalsContact O-CE 3.29Å; A328-K335 WeakPolarHBondContact O-CE 3.21Å; A328-K335 PolarHBondContact O-NZ 3.23Å; A328-K335 VanDerWaalsContact O-NZ 3.16Å; P332-K335 HydrophobicContact CB-CD 4.32Å; P332-K335 VanDerWaalsContact O-CB 3.27Å; P332-K335 WeakPolarHBondContact O-CB 3.38Å; P332-K335 WeakPolarHBondContact O-CG 3.41Å; P332-K335 PolarHBondContact O-N 3.18Å; K335-W557 HydrophobicContact CG-CH2 4.18Å; K335-W557 HydrophobicContact CG-CZ2 3.89Å; K335-R620 PolarHBondContact O-NH2 2.97Å; K335-I621 HydrophobicContact CG-CD1 4.26Å
336K95.7Very high93.7Very high147 Ų14737.2 Ų37.264%0.63921%0.208SC*.SBendtrans-128.2153.1176.4-63.6-178.5-176.7176.20109.7L334 N356L334-K336 PolarHBondContact O-N 2.85Å; K336-N356 PolarHBondContact O-ND2 3.14Å
337K97.7Very high93.1Very high13 Ų1343.2 Ų43.26%0.05724%0.236CC..  trans-141.1153.8172.971175-177.3-76.30110.7D350 V354 L355 N356 P394 W617K337-D350 VanDerWaalsContact CE-O 3.25Å; K337-D350 WeakPolarHBondContact CE-O 3.23Å; K337-V354 HydrophobicContact CB-CG1 3.9Å; K337-V354 HydrophobicContact CD-CG1 4Å; K337-L355 VanDerWaalsContact CA-O 3.3Å; K337-L355 WeakPolarHBondContact CA-O 3.23Å; K337-N356 WeakPolarHBondContact CB-ND2 3.29Å; K337-P394 WeakPolarHBondContact O-CD 3.41Å; K337-W617 HydrophobicContact CB-CH2 3.94Å; K337-W617 HydrophobicContact CB-CZ2 4.29Å; K337-W617 HydrophobicContact CD-CH2 3.73Å; K337-W617 HydrophobicContact CD-CZ2 4.3Å; K337-W617 HydrophobicContact CD-CZ3 3.9Å; K337-W617 HydrophobicContact CG-CH2 3.67Å; K337-W617 HydrophobicContact CG-CZ2 3.85Å; K337-W617 HydrophobicContact CG-CZ3 4.34Å; K337-W617 VanDerWaalsContact NZ-CZ3 3.34Å
338A98.1Very high92.7Very high0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-124.4163.9165.500000109.2V354 L355 L360 L364 P394A338-V354 WeakPolarHBondContact O-CA 3.18Å; A338-L355 HydrophobicContact CB-CB 4.47Å; A338-L355 PolarHBondContact N-O 2.75Å; A338-L355 PolarHBondContact O-N 2.78Å; A338-L360 HydrophobicContact CB-CD1 4.23Å; A338-L360 HydrophobicContact CB-CD2 4.05Å; A338-L360 HydrophobicContact CB-CG 4.48Å; A338-L364 HydrophobicContact CB-CD1 4.07Å; A338-L364 HydrophobicContact CB-CD2 3.99Å; A338-P394 WeakPolarHBondContact CA-O 3.26Å; A338-P394 HydrophobicContact CB-CB 3.98Å; A338-P394 HydrophobicContact CB-CG 4.43Å
339V97.9Very high92.5Very high2 Ų248.2 Ų48.21%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-131.8158.9178.8-620000112.2I348 I353 V354 M393 P394 V395 I396V339-I348 HydrophobicContact CG2-CG2 4.27Å; V339-I353 WeakPolarHBondContact CA-O 3.29Å; V339-I353 WeakPolarHBondContact CB-O 3.26Å; V339-V354 HydrophobicContact CG1-CG2 4.49Å; V339-M393 HydrophobicContact CG1-SD 3.87Å; V339-M393 HydrophobicContact CG2-CE 3.71Å; V339-M393 HydrophobicContact CG2-CG 4.33Å; V339-M393 HydrophobicContact CG2-SD 3.93Å; V339-P394 PolarHBondContact N-O 3.12Å; V339-V395 HydrophobicContact CG2-CB 4.36Å; V339-V395 HydrophobicContact CG2-CG1 4.29Å; V339-V395 HydrophobicContact CG2-CG2 3.84Å; V339-V395 WeakPolarHBondContact O-CA 3.42Å; V339-I396 PolarHBondContact O-N 2.92Å
340I97.6Very high92.4Very high6 Ų646 Ų463%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-103.2126170.5-69.7170000109.1F342 I353 L355 I396 A402 V405 I406I340-F342 PolarHBondContact O-N 3Å; I340-I353 HydrophobicContact CB-CB 4.13Å; I340-I353 HydrophobicContact CB-CD1 4.43Å; I340-I353 HydrophobicContact CB-CG2 3.86Å; I340-I353 HydrophobicContact CD1-CG2 3.84Å; I340-I353 HydrophobicContact CG1-CG2 4.14Å; I340-I353 HydrophobicContact CG2-CD1 4.39Å; I340-I353 PolarHBondContact N-O 2.85Å; I340-L355 HydrophobicContact CD1-CD1 3.94Å; I340-L355 HydrophobicContact CG1-CD1 3.87Å; I340-I396 WeakPolarHBondContact CA-O 3.44Å; I340-I396 HydrophobicContact CG1-CB 4.02Å; I340-I396 HydrophobicContact CG1-CD1 4.25Å; I340-I396 HydrophobicContact CG1-CG2 4.42Å; I340-A402 HydrophobicContact CD1-CB 4.36Å; I340-A402 HydrophobicContact CG1-CB 4.48Å; I340-A402 HydrophobicContact CG2-CB 3.67Å; I340-V405 HydrophobicContact CD1-CB 3.96Å; I340-V405 HydrophobicContact CD1-CG1 3.71Å; I340-V405 HydrophobicContact CD1-CG2 4.45Å; I340-I406 HydrophobicContact CG2-CD1 4.34Å
341D95.9Very high92.3Very high21 Ų2145.7 Ų45.711%0.11224%0.241CC..EExtended strand (participates in β ladder)trans-82.485.3172.8178.910000110.8K343 S344 V395 I396 M398D341-K343 VanDerWaalsContact C-N 3.33Å; D341-K343 PolarHBondContact O-N 2.98Å; D341-K343 PolarHBondContact OD1-N 2.67Å; D341-S344 PolarHBondContact OD1-N 3.26Å; D341-V395 HydrophobicContact CB-CG1 3.77Å; D341-I396 PolarHBondContact N-O 2.82Å; D341-M398 WeakPolarHBondContact O-CB 3.29Å
342F91.8Very high92.3Very high56 Ų5646.3 Ų46.325%0.24624%0.243CC..SBendtrans-76.3-14.2-177.972.1-81.4000114.6I340 Y349 R352 I353 I406 E458I340-F342 PolarHBondContact O-N 3Å; F342-Y349 HydrophobicContact CE1-CD2 4.12Å; F342-R352 HydrophobicContact CD1-CB 4.45Å; F342-R352 HydrophobicContact CE1-CB 3.7Å; F342-R352 HydrophobicContact CE1-CG 3.91Å; F342-R352 HydrophobicContact CZ-CB 4.47Å; F342-R352 HydrophobicContact CZ-CG 4.28Å; F342-I353 HydrophobicContact CB-CD1 3.98Å; F342-I353 HydrophobicContact CD1-CD1 4.18Å; F342-I353 HydrophobicContact CG-CD1 4.26Å; F342-I406 HydrophobicContact CB-CD1 4.37Å; F342-E458 HydrophobicContact CE2-CB 4.43Å; F342-E458 HydrophobicContact CZ-CB 4.09Å; F342-E458 HydrophobicContact CZ-CG 4.5Å
343K80.5Confident92.3Very high71 Ų7145.5 Ų45.531%0.30924%0.236SC..SBendtrans-96.3-28.7-179.9-68.2-162.5-175.8173.60112.8D341 N345 Y349D341-K343 VanDerWaalsContact C-N 3.33Å; D341-K343 PolarHBondContact O-N 2.98Å; D341-K343 PolarHBondContact OD1-N 2.67Å; K343-N345 HydrophobicContact CB-CB 4.36Å; K343-N345 PolarHBondContact O-N 3.4Å; K343-Y349 HydrophobicContact CD-CE2 3.99Å; K343-Y349 PolarHBondContact NZ-OH 2.85Å; K343-Y349 VanDerWaalsContact NZ-OH 3.13Å
344S75.6Confident92.3Very high77 Ų7745.4 Ų45.454%0.53824%0.236SC..  trans5128.9-177.2-64.10000113.6D341 M398D341-S344 PolarHBondContact OD1-N 3.26Å; S344-M398 WeakPolarHBondContact OG-CB 3.34Å
345N79.6Confident92.3Very high89 Ų8945.4 Ų45.448%0.47624%0.236SC..SBendtrans-10912.6-17572.1-6000113.3K343 H347K343-N345 HydrophobicContact CB-CB 4.36Å; K343-N345 PolarHBondContact O-N 3.4Å; N345-H347 VanDerWaalsContact C-N 3.34Å; N345-H347 PolarHBondContact O-N 2.83Å; N345-H347 PolarHBondContact OD1-N 3.49Å; N345-H347 VanDerWaalsContact OD1-N 3.16Å
346G73.2Confident92.3Very high67 Ų6741 Ų4169%0.69122%0.217SC*.SBendtrans88.7-14.7-179.600000115.1
347H84.8Confident92.5Very high127 Ų12734.3 Ų34.359%0.58819%0.19SC*.  trans-90.9105.5173.2-69.1-74.1000111N345N345-H347 VanDerWaalsContact C-N 3.34Å; N345-H347 PolarHBondContact O-N 2.83Å; N345-H347 PolarHBondContact OD1-N 3.49Å; N345-H347 VanDerWaalsContact OD1-N 3.16Å
348I90.3Very high92.5Very high65 Ų6537.9 Ų37.933%0.33321%0.209SC..  trans-93.9115.4178.6-60.2172.3000109.1V339 V373 M393 V395V339-I348 HydrophobicContact CG2-CG2 4.27Å; I348-V373 HydrophobicContact CD1-CG2 3.51Å; I348-V373 HydrophobicContact CG2-CG2 4.48Å; I348-M393 HydrophobicContact CG2-CE 3.76Å; I348-V395 HydrophobicContact CD1-CG1 4.37Å; I348-V395 HydrophobicContact CD1-CG2 4.32Å; I348-V395 HydrophobicContact CG2-CG1 4.19Å; I348-V395 HydrophobicContact CG2-CG2 3.73Å
349Y94.3Very high92.5Very high65 Ų6541.9 Ų41.926%0.25523%0.23SC..  trans-90148.5174.3-54-82000111.6F342 K343 R352F342-Y349 HydrophobicContact CE1-CD2 4.12Å; K343-Y349 HydrophobicContact CD-CE2 3.99Å; K343-Y349 PolarHBondContact NZ-OH 2.85Å; K343-Y349 VanDerWaalsContact NZ-OH 3.13Å; Y349-R352 HydrophobicContact CD2-CG 4.31Å; Y349-R352 HydrophobicContact CG-CG 4.16Å
350D96.1Very high92.4Very high28 Ų2842 Ų4215%0.1523%0.231CC..SBendtrans-99.50.3-177.374.9-33.9000114.2K337 M375 M393 R613K337-D350 VanDerWaalsContact CE-O 3.25Å; K337-D350 WeakPolarHBondContact CE-O 3.23Å; D350-M375 HydrophobicContact CB-CE 3.72Å; D350-M393 HydrophobicContact CB-CE 4.09Å; D350-M393 HydrophobicContact CB-SD 3.65Å; D350-R613 IonicContact OD1-CZ 3.87Å; D350-R613 IonicContact OD1-NE 2.82Å; D350-R613 PolarHBondContact OD1-NE 2.87Å; D350-R613 IonicContact OD1-NH2 3.4Å; D350-R613 PolarHBondContact OD1-NH2 3.26Å; D350-R613 IonicContact OD2-CZ 3.67Å; D350-R613 VanDerWaalsContact OD2-CZ 3.27Å; D350-R613 IonicContact OD2-NE 3.39Å; D350-R613 PolarHBondContact OD2-NE 2.84Å; D350-R613 IonicContact OD2-NH2 2.82Å; D350-R613 PolarHBondContact OD2-NH2 3.03Å
351N97.9Very high92.4Very high0 Ų048.2 Ų48.20%026%0.257CS..SBendtrans-149.921.7-165.662.3-7.7000114.9R451 Q535 L536 A537 D538N351-R451 PolarHBondContact ND2-NH2 3.12Å; N351-R451 PolarHBondContact O-NE 2.99Å; N351-Q535 WeakPolarHBondContact CB-O 3.44Å; N351-L536 PolarHBondContact ND2-O 3.08Å; N351-L536 WeakPolarHBondContact O-CA 3.48Å; N351-L536 WeakPolarHBondContact O-CD2 3.47Å; N351-A537 PolarHBondContact ND2-O 3.11Å; N351-D538 PolarHBondContact ND2-OD1 3.17Å
352R97.6Very high92.5Very high13 Ų1349.5 Ų49.55%0.04927%0.271CS..SBendtrans-97.1-54.6177.8-86.949.8172.6179.49.2112F342 Y349 T450 R451 E458 A460 D538F342-R352 HydrophobicContact CD1-CB 4.45Å; F342-R352 HydrophobicContact CE1-CB 3.7Å; F342-R352 HydrophobicContact CE1-CG 3.91Å; F342-R352 HydrophobicContact CZ-CB 4.47Å; F342-R352 HydrophobicContact CZ-CG 4.28Å; Y349-R352 HydrophobicContact CD2-CG 4.31Å; Y349-R352 HydrophobicContact CG-CG 4.16Å; R352-T450 CarbonylContact O-C 3.52Å; R352-T450 VanDerWaalsContact O-CA 3.26Å; R352-T450 WeakPolarHBondContact O-CA 3.41Å; R352-R451 VanDerWaalsContact NH1-NH2 3.2Å; R352-R451 VanDerWaalsContact NH2-NH1 3.12Å; R352-R451 PolarHBondContact O-N 2.91Å; R352-E458 VanDerWaalsContact CG-OE2 3.27Å; R352-E458 WeakPolarHBondContact CG-OE2 3.41Å; R352-E458 PolarHBondContact NE-O 2.87Å; R352-E458 PolarHBondContact NH2-O 2.73Å; R352-A460 PolarHBondContact NH2-O 2.97Å; R352-D538 IonicContact NH1-OD1 2.82Å; R352-D538 PolarHBondContact NH1-OD1 3.38Å; R352-D538 IonicContact NH1-OD2 3.27Å
353I98.3Very high92.8Very high14 Ų1446.9 Ų46.97%0.07226%0.259CS..EExtended strand (participates in β ladder)trans-128.9109.5172.7-57.9174.9000107.1V339 I340 F342 I406 V448 T450V339-I353 WeakPolarHBondContact CA-O 3.29Å; V339-I353 WeakPolarHBondContact CB-O 3.26Å; I340-I353 HydrophobicContact CB-CB 4.13Å; I340-I353 HydrophobicContact CB-CD1 4.43Å; I340-I353 HydrophobicContact CB-CG2 3.86Å; I340-I353 HydrophobicContact CD1-CG2 3.84Å; I340-I353 HydrophobicContact CG1-CG2 4.14Å; I340-I353 HydrophobicContact CG2-CD1 4.39Å; I340-I353 PolarHBondContact N-O 2.85Å; F342-I353 HydrophobicContact CB-CD1 3.98Å; F342-I353 HydrophobicContact CD1-CD1 4.18Å; F342-I353 HydrophobicContact CG-CD1 4.26Å; I353-I406 HydrophobicContact CD1-CD1 4.01Å; I353-I406 HydrophobicContact CD1-CG1 3.98Å; I353-V448 HydrophobicContact CG2-CG1 4.35Å; I353-T450 HydrophobicContact CB-CG2 4.38Å; I353-T450 HydrophobicContact CG1-CG2 4.13Å; I353-T450 HydrophobicContact CG2-CG2 4.02Å
354V98.7Very high93.6Very high0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-117.5135.6-170.7-174.60000110K337 A338 V339 V448 T449 L536K337-V354 HydrophobicContact CB-CG1 3.9Å; K337-V354 HydrophobicContact CD-CG1 4Å; A338-V354 WeakPolarHBondContact O-CA 3.18Å; V339-V354 HydrophobicContact CG1-CG2 4.49Å; V354-V448 WeakPolarHBondContact O-CA 3.49Å; V354-T449 PolarHBondContact N-O 3.28Å; V354-T449 PolarHBondContact O-N 3.24Å; V354-L536 HydrophobicContact CG2-CD2 4.16Å
355L98.8Very high94.6Very high0 Ų046.2 Ų46.20%025%0.253CS..EExtended strand (participates in β ladder)trans-115.1132.8173.5-66.485.4000109.7K337 A338 I340 L360 F363 I396 I446 I447 V448K337-L355 VanDerWaalsContact CA-O 3.3Å; K337-L355 WeakPolarHBondContact CA-O 3.23Å; A338-L355 HydrophobicContact CB-CB 4.47Å; A338-L355 PolarHBondContact N-O 2.75Å; A338-L355 PolarHBondContact O-N 2.78Å; I340-L355 HydrophobicContact CD1-CD1 3.94Å; I340-L355 HydrophobicContact CG1-CD1 3.87Å; L355-L360 HydrophobicContact CB-CD1 3.91Å; L355-L360 WeakPolarHBondContact O-CD2 3.31Å; L355-F363 HydrophobicContact CD2-CE1 3.97Å; L355-I396 HydrophobicContact CD1-CD1 4.45Å; L355-I396 HydrophobicContact CD2-CD1 4.17Å; L355-I446 HydrophobicContact CB-CG2 4.22Å; L355-I446 HydrophobicContact CD2-CG2 4.05Å; L355-I447 WeakPolarHBondContact CA-O 3.48Å; L355-V448 HydrophobicContact CD2-CG2 4.38Å; L355-V448 HydrophobicContact CG-CG2 4.25Å
356N98.8Very high95.5Very high0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-131.4151174-58.6103.7000109.7L334 K336 K337 I446 I447 Q535L334-N356 HydrophobicContact CD2-CB 3.76Å; K336-N356 PolarHBondContact O-ND2 3.14Å; K337-N356 WeakPolarHBondContact CB-ND2 3.29Å; N356-I446 CarbonylContact O-C 3.48Å; N356-I446 VanDerWaalsContact O-CA 3.32Å; N356-I446 WeakPolarHBondContact O-CA 3.43Å; N356-I447 PolarHBondContact N-O 2.79Å; N356-I447 VanDerWaalsContact N-O 3.07Å; N356-I447 PolarHBondContact O-N 3.14Å; N356-Q535 PolarHBondContact ND2-OE1 2.67Å; N356-Q535 PolarHBondContact OD1-NE2 2.8Å; N356-Q535 PolarHBondContact OD1-OE1 3.46Å
357G98.1Very high96.6Very high6 Ų641.6 Ų41.66%0.06222%0.216CC..  trans169.5151.8178.600000111.2H333 D359 L360H333-G357 PolarHBondContact O-N 2.85Å; G357-D359 VanDerWaalsContact C-N 3.32Å; G357-L360 VanDerWaalsContact O-CB 3.24Å; G357-L360 WeakPolarHBondContact O-CB 3.44Å; G357-L360 PolarHBondContact O-N 3.25Å
358I98.1Very high97.1Very high89 Ų8939 Ų3946%0.45621%0.21SC..THydrogen-bonded Turntrans-61.9-44.8174.6-61.9-59.4000110.2P332 H333 L360 V442P332-I358 HydrophobicContact CB-CD1 4.34Å; P332-I358 HydrophobicContact CG-CD1 4.13Å; H333-I358 HydrophobicContact CB-CD1 4.02Å; H333-I358 HydrophobicContact CB-CG1 4.28Å; I358-L360 VanDerWaalsContact C-N 3.27Å; I358-L360 PolarHBondContact O-N 3.1Å; I358-V442 HydrophobicContact CD1-CG1 3.87Å; I358-V442 HydrophobicContact CG1-CG1 3.83Å
359D97.6Very high97.2Very high83 Ų8341.9 Ų41.944%0.44423%0.226SC..THydrogen-bonded Turntrans-89.214.6-179.8-56.5-47000113.6G357 K361 A362 F363 F421G357-D359 VanDerWaalsContact C-N 3.32Å; D359-K361 PolarHBondContact O-N 3.32Å; D359-A362 PolarHBondContact O-N 3.26Å; D359-A362 VanDerWaalsContact O-N 3.12Å; D359-F363 PolarHBondContact O-N 2.91Å; D359-F421 HydrophobicContact CB-CE1 4.35Å
360L97.4Very high97.3Very high6 Ų640.6 Ų40.63%0.03123%0.225CC..Hα-helixtrans-56.5-38.3-177.4178.566.2000112A338 L355 G357 I358 F363 L364 I446A338-L360 HydrophobicContact CB-CD1 4.23Å; A338-L360 HydrophobicContact CB-CD2 4.05Å; A338-L360 HydrophobicContact CB-CG 4.48Å; L355-L360 HydrophobicContact CB-CD1 3.91Å; L355-L360 WeakPolarHBondContact O-CD2 3.31Å; G357-L360 VanDerWaalsContact O-CB 3.24Å; G357-L360 WeakPolarHBondContact O-CB 3.44Å; G357-L360 PolarHBondContact O-N 3.25Å; I358-L360 VanDerWaalsContact C-N 3.27Å; I358-L360 PolarHBondContact O-N 3.1Å; L360-F363 HydrophobicContact CD1-CD1 4.27Å; L360-F363 PolarHBondContact O-N 2.95Å; L360-L364 HydrophobicContact CD1-CD1 4.38Å; L360-L364 HydrophobicContact CD1-CG 4.32Å; L360-L364 HydrophobicContact CG-CD1 3.99Å; L360-L364 HydrophobicContact CG-CG 4.39Å; L360-L364 WeakPolarHBondContact O-CG 3.3Å; L360-L364 PolarHBondContact O-N 2.93Å; L360-I446 HydrophobicContact CD1-CG2 4.11Å
361K96.7Very high97.2Very high136 Ų13645.7 Ų45.759%0.59125%0.246SC*.Hα-helixtrans-62.9-49.2177.8-174.8-174.1172-170.40111.4D359 F363 L364 D365D359-K361 PolarHBondContact O-N 3.32Å; K361-F363 VanDerWaalsContact C-N 3.26Å; K361-F363 PolarHBondContact O-N 2.77Å; K361-L364 PolarHBondContact O-N 2.96Å; K361-L364 VanDerWaalsContact O-N 3.15Å; K361-D365 VanDerWaalsContact O-CG 3.25Å; K361-D365 PolarHBondContact O-N 3.46Å
362A97.7Very high97Very high48 Ų4850.3 Ų50.340%0.39727%0.269SS..Hα-helixtrans-62.3-37.1179.900000111.7D359 D365 S366 F421D359-A362 PolarHBondContact O-N 3.26Å; D359-A362 VanDerWaalsContact O-N 3.12Å; A362-D365 PolarHBondContact O-N 3.49Å; A362-S366 PolarHBondContact O-N 2.95Å; A362-F421 VanDerWaalsContact C-CZ 3.49Å; A362-F421 HydrophobicContact CB-CE1 3.91Å; A362-F421 HydrophobicContact CB-CZ 3.91Å
363F98.3Very high96.6Very high1 Ų151.4 Ų51.40%0.00428%0.278CS..Hα-helixtrans-61.4-50.3171.8170.7-114.4000111.9L355 D359 L360 K361 D365 S366 L367 I396 I401 I418 F421 I423 I446L355-F363 HydrophobicContact CD2-CE1 3.97Å; D359-F363 PolarHBondContact O-N 2.91Å; L360-F363 HydrophobicContact CD1-CD1 4.27Å; L360-F363 PolarHBondContact O-N 2.95Å; K361-F363 VanDerWaalsContact C-N 3.26Å; K361-F363 PolarHBondContact O-N 2.77Å; F363-D365 VanDerWaalsContact C-N 3.3Å; F363-D365 PolarHBondContact O-N 3.39Å; F363-S366 WeakPolarHBondContact O-CA 3.43Å; F363-S366 WeakPolarHBondContact O-CB 3.43Å; F363-S366 PolarHBondContact O-N 3.03Å; F363-S366 PolarHBondContact O-OG 2.89Å; F363-L367 HydrophobicContact CD1-CD1 4.37Å; F363-L367 HydrophobicContact CD2-CD2 4.49Å; F363-L367 HydrophobicContact CE1-CD1 3.84Å; F363-L367 HydrophobicContact CE2-CD1 4.4Å; F363-L367 HydrophobicContact CE2-CD2 3.91Å; F363-L367 HydrophobicContact CE2-CG 4.42Å; F363-L367 HydrophobicContact CZ-CD1 3.86Å; F363-L367 HydrophobicContact CZ-CD2 4.08Å; F363-L367 HydrophobicContact CZ-CG 4.36Å; F363-L367 WeakPolarHBondContact O-CG 3.38Å; F363-I396 HydrophobicContact CE1-CD1 4.08Å; F363-I401 HydrophobicContact CZ-CG2 4.4Å; F363-I418 HydrophobicContact CE2-CB 4.07Å; F363-I418 HydrophobicContact CE2-CG2 3.98Å; F363-F421 HydrophobicContact CB-CD1 3.91Å; F363-F421 HydrophobicContact CB-CD2 4.19Å; F363-F421 HydrophobicContact CB-CE1 4.09Å; F363-F421 HydrophobicContact CB-CE2 4.37Å; F363-F421 HydrophobicContact CB-CG 3.96Å; F363-F421 HydrophobicContact CB-CZ 4.32Å; F363-F421 HydrophobicContact CD2-CB 3.93Å; F363-F421 AromaticContact CD2-CD2 3.77Å; F363-F421 HydrophobicContact CD2-CD2 3.77Å; F363-F421 HydrophobicContact CD2-CE2 4.48Å; F363-F421 AromaticContact CD2-CG 3.87Å; F363-F421 HydrophobicContact CD2-CG 3.87Å; F363-F421 HydrophobicContact CG-CD2 4.49Å; F363-F421 HydrophobicContact CG-CG 4.36Å; F363-I423 HydrophobicContact CD2-CD1 4.2Å; F363-I423 HydrophobicContact CE1-CD1 4.32Å; F363-I423 HydrophobicContact CE2-CD1 3.91Å; F363-I423 HydrophobicContact CZ-CD1 3.97Å; F363-I446 HydrophobicContact CB-CD1 3.2Å; F363-I446 HydrophobicContact CD1-CD1 3.72Å; F363-I446 HydrophobicContact CD2-CD1 4.22Å; F363-I446 HydrophobicContact CG-CD1 3.45Å; F363-I446 VanDerWaalsContact CG-CD1 3.45Å
364L97.7Very high96Very high16 Ų1657.9 Ų57.98%0.08431%0.305CS..Hα-helixtrans-60.3-38.8178.5-67.8165.7000112.4A338 L360 K361 S366 L367 V370 P394 I396A338-L364 HydrophobicContact CB-CD1 4.07Å; A338-L364 HydrophobicContact CB-CD2 3.99Å; L360-L364 HydrophobicContact CD1-CD1 4.38Å; L360-L364 HydrophobicContact CD1-CG 4.32Å; L360-L364 HydrophobicContact CG-CD1 3.99Å; L360-L364 HydrophobicContact CG-CG 4.39Å; L360-L364 WeakPolarHBondContact O-CG 3.3Å; L360-L364 PolarHBondContact O-N 2.93Å; K361-L364 PolarHBondContact O-N 2.96Å; K361-L364 VanDerWaalsContact O-N 3.15Å; L364-S366 PolarHBondContact O-N 3.3Å; L364-L367 HydrophobicContact CD2-CD1 4.41Å; L364-L367 WeakPolarHBondContact O-CB 3.38Å; L364-L367 PolarHBondContact O-N 2.94Å; L364-V370 HydrophobicContact CD2-CG1 4.26Å; L364-V370 HydrophobicContact CD2-CG2 4.38Å; L364-P394 HydrophobicContact CD1-CB 3.57Å; L364-P394 HydrophobicContact CD1-CG 3.62Å; L364-P394 HydrophobicContact CD2-CB 4.13Å; L364-P394 HydrophobicContact CG-CB 4.45Å; L364-I396 HydrophobicContact CD2-CD1 3.97Å; L364-I396 HydrophobicContact CD2-CG1 3.86Å
365D97.3Very high94.9Very high118 Ų11858.7 Ų58.763%0.63131%0.309SS*.Hα-helixtrans-65.7-20.3176.9-66.1-19.7000112.2K361 A362 F363K361-D365 VanDerWaalsContact O-CG 3.25Å; K361-D365 PolarHBondContact O-N 3.46Å; A362-D365 PolarHBondContact O-N 3.49Å; F363-D365 VanDerWaalsContact C-N 3.3Å; F363-D365 PolarHBondContact O-N 3.39Å
366S97.5Very high93.4Very high43 Ų4367.2 Ų67.230%0.30135%0.346SS..THydrogen-bonded Turntrans-83.8-9.4173.984.40000114.1A362 F363 L364 N419A362-S366 PolarHBondContact O-N 2.95Å; F363-S366 WeakPolarHBondContact O-CA 3.43Å; F363-S366 WeakPolarHBondContact O-CB 3.43Å; F363-S366 PolarHBondContact O-N 3.03Å; F363-S366 PolarHBondContact O-OG 2.89Å; L364-S366 PolarHBondContact O-N 3.3Å; S366-N419 PolarHBondContact O-ND2 3.4Å; S366-N419 PolarHBondContact OG-ND2 2.99Å; S366-N419 VanDerWaalsContact OG-ND2 3.14Å
367L97.3Very high91.7Very high16 Ų1667.9 Ų67.98%0.08435%0.351CS..SBendtrans-97.4137.9-176.6-56.1-175.9000111F363 L364 V370 I396 I401F363-L367 HydrophobicContact CD1-CD1 4.37Å; F363-L367 HydrophobicContact CD2-CD2 4.49Å; F363-L367 HydrophobicContact CE1-CD1 3.84Å; F363-L367 HydrophobicContact CE2-CD1 4.4Å; F363-L367 HydrophobicContact CE2-CD2 3.91Å; F363-L367 HydrophobicContact CE2-CG 4.42Å; F363-L367 HydrophobicContact CZ-CD1 3.86Å; F363-L367 HydrophobicContact CZ-CD2 4.08Å; F363-L367 HydrophobicContact CZ-CG 4.36Å; F363-L367 WeakPolarHBondContact O-CG 3.38Å; L364-L367 HydrophobicContact CD2-CD1 4.41Å; L364-L367 WeakPolarHBondContact O-CB 3.38Å; L364-L367 PolarHBondContact O-N 2.94Å; L367-V370 HydrophobicContact CB-CG2 3.66Å; L367-V370 HydrophobicContact CD1-CG2 4.27Å; L367-I396 HydrophobicContact CD1-CD1 3.73Å; L367-I396 HydrophobicContact CD1-CG1 3.91Å; L367-I396 HydrophobicContact CD1-CG2 4.25Å; L367-I401 HydrophobicContact CD1-CG2 4.48Å; L367-I401 HydrophobicContact CD2-CD1 3.41Å; L367-I401 VanDerWaalsContact CD2-CD1 3.41Å; L367-I401 HydrophobicContact CD2-CG2 3.96Å
368P93.9Very high89.7Confident72 Ų7269.5 Ų69.547%0.46836%0.36SS..THydrogen-bonded Turntrans-70.1155.9166.331.7-33.9000110.8V370P368-V370 VanDerWaalsContact C-N 3.27Å; P368-V370 PolarHBondContact O-N 3.34Å; P368-V370 VanDerWaalsContact O-N 3.12Å
369D93.1Very high87.6Confident125 Ų12569.3 Ų69.367%0.66836%0.36SS*.THydrogen-bonded Turntrans62.418.8165.2-49.6-45.6000117.2K371 P397D369-K371 PolarHBondContact O-N 2.8Å; D369-P397 HydrophobicContact CB-CG 4.02Å; D369-P397 WeakPolarHBondContact O-CD 3.06Å
370V95.8Very high84.9Confident39 Ų3969.1 Ų69.124%0.23638%0.378CS..  trans-63.1120.9173.3179.80000110L364 L367 P368 I372 P394L364-V370 HydrophobicContact CD2-CG1 4.26Å; L364-V370 HydrophobicContact CD2-CG2 4.38Å; L367-V370 HydrophobicContact CB-CG2 3.66Å; L367-V370 HydrophobicContact CD1-CG2 4.27Å; P368-V370 VanDerWaalsContact C-N 3.27Å; P368-V370 PolarHBondContact O-N 3.34Å; P368-V370 VanDerWaalsContact O-N 3.12Å; V370-I372 HydrophobicContact CG1-CD1 4.34Å; V370-P394 HydrophobicContact CG1-CB 3.99Å
371K94.3Very high81.9Confident134 Ų13471.5 Ų71.558%0.58340%0.404SS*.EExtended strand (participates in β ladder)trans-91.4141.3175.8-67.2178-176.4172.70110D369 P394 V395D369-K371 PolarHBondContact O-N 2.8Å; K371-P394 CarbonylContact O-C 3.58Å; K371-V395 HydrophobicContact CB-CB 4.4Å; K371-V395 PolarHBondContact N-O 2.83Å; K371-V395 PolarHBondContact O-N 3.2Å
372I93.8Very high78.8Confident97 Ų9773 Ų7350%0.49742%0.418SS..EExtended strand (participates in β ladder)trans-104.2113.7173.1-55.7-56.4000109.3V370 N392 P394V370-I372 HydrophobicContact CG1-CD1 4.34Å; I372-N392 HydrophobicContact CG2-CB 3.61Å; I372-P394 HydrophobicContact CD1-CB 3.99Å; I372-P394 HydrophobicContact CD1-CG 4.08Å
373V90.1Very high75.8Confident37 Ų3778.7 Ų78.722%0.22444%0.442CS..EExtended strand (participates in β ladder)trans-93.5124.8174.71780000109.3I348 M393 V395I348-V373 HydrophobicContact CD1-CG2 3.51Å; I348-V373 HydrophobicContact CG2-CG2 4.48Å; V373-M393 PolarHBondContact N-O 2.93Å; V373-M393 PolarHBondContact O-N 3.22Å; V373-V395 HydrophobicContact CB-CG2 4.3Å; V373-V395 HydrophobicContact CG2-CG2 3.59Å
374K84.2Confident72.7Confident149 Ų14982 Ų8265%0.64847%0.47SS*.EExtended strand (participates in β ladder)trans-78.3120.3171.7-68.2-172.1177.9-173.40110A390K374-A390 HydrophobicContact CB-CB 4.34Å; K374-A390 HydrophobicContact CD-CB 4.12Å; K374-A390 HydrophobicContact CG-CB 4.32Å
375M76.5Confident69.7Low17 Ų1788 Ų888%0.08450%0.502CS..EExtended strand (participates in β ladder)trans-83.5118.5168.8-68.5-177.9159.200109.2D350 C377 L391 M393D350-M375 HydrophobicContact CB-CE 3.72Å; M375-C377 PolarHBondContact O-N 3.19Å; M375-L391 HydrophobicContact CB-CB 4.22Å; M375-L391 WeakPolarHBondContact CB-O 3.38Å; M375-L391 PolarHBondContact N-O 3.01Å; M375-L391 PolarHBondContact O-N 2.87Å; M375-M393 HydrophobicContact CE-CB 3.92Å; M375-M393 HydrophobicContact CE-CE 3.91Å; M375-M393 HydrophobicContact CE-CG 4.19Å; M375-M393 HydrophobicContact CE-SD 3.34Å; M375-M393 WeakPolarHBondContact CE-SD 3.43Å; M375-M393 HydrophobicContact CG-CB 4.5Å; M375-M393 HydrophobicContact SD-CB 4.36Å
376K68.2Low66.8Low180 Ų18086.9 Ų86.978%0.78350%0.503SS*.  trans-66.5113.4169.8-79.9-174.1175.2-177.80108.7
377C61.7Low64Low14 Ų1489 Ų8910%0.09552%0.518CS..PPolyproline II helixtrans-89.4144.5162.7-65.60000107.8M375 D379 K618M375-C377 PolarHBondContact O-N 3.19Å; C377-D379 PolarHBondContact O-N 2.97Å; C377-K618 HydrophobicContact CB-CD 4.31Å
378P56.9Low61.4Low40 Ų4095.6 Ų95.626%0.2655%0.554SS.*PPolyproline II helixtrans-64.3121.3168.523-23.1000109G380 K611 K615P378-G380 PolarHBondContact O-N 2.79Å; P378-K611 HydrophobicContact CB-CD 4.16Å; P378-K611 HydrophobicContact CB-CG 4.15Å; P378-K611 HydrophobicContact CG-CD 4.32Å; P378-K611 HydrophobicContact CG-CG 3.81Å; P378-K615 HydrophobicContact CG-CB 4.09Å; P378-K615 HydrophobicContact CG-CD 4.12Å; P378-K615 HydrophobicContact CG-CG 4.3Å
379D52.9Low59.2Low84 Ų8493.9 Ų93.945%0.44954%0.542SS..PPolyproline II helixtrans-61131.9173.7-67.3-45.5000109.2C377 G381 T389C377-D379 PolarHBondContact O-N 2.97Å; D379-G381 PolarHBondContact O-N 2.75Å; D379-T389 PolarHBondContact OD1-OG1 2.89Å
380G41.1Very low57.4Low80 Ų8089.6 Ų89.683%0.82552%0.524SS*.SBendtrans-77.996.6166.300000108P378P378-G380 PolarHBondContact O-N 2.79Å
381G34.9Very low56.4Low55 Ų5589.8 Ų89.857%0.56752%0.523SS*.SBendtrans72.2139.2173.800000114.6D379 N383D379-G381 PolarHBondContact O-N 2.75Å; G381-N383 PolarHBondContact O-N 3.37Å
382D31.8Very low56.1Low168 Ų16887.8 Ų87.890%0.89852%0.519SS*.THydrogen-bonded Turntrans-65.117.6-172.9-71.4-44.2000116.2
383N34.3Very low56.1Low167 Ų16783.6 Ų83.689%0.89350%0.497SS*.THydrogen-bonded Turntrans-12918.3-167.8-82.9-16000116.8G381G381-N383 PolarHBondContact O-N 3.37Å
384A34Very low56.4Low72 Ų7282.9 Ų82.960%0.59549%0.493SS*.SBendtrans-126.5131.3171.800000111.9S386A384-S386 PolarHBondContact O-N 2.97Å
385D34.3Very low57Low142 Ų14275.9 Ų75.976%0.75946%0.463SS*.  trans-32.2102.4-180-113.5-28.7000113.7S387 N388D385-S387 PolarHBondContact O-N 3.46Å; D385-N388 PolarHBondContact O-N 2.89Å
386S36.4Very low58Low93 Ų9375.2 Ų75.265%0.6546%0.46SS*.THydrogen-bonded Turntrans-67.25.6-173.656.30000114.8A384A384-S386 PolarHBondContact O-N 2.97Å
387S37.6Very low59.3Low89 Ų8967.9 Ų67.962%0.62243%0.431SS*.THydrogen-bonded Turntrans-85.9-25.4177.5690000113.5D385D385-S387 PolarHBondContact O-N 3.46Å
388N42.6Very low61Low154 Ų15470.6 Ų70.682%0.82444%0.443SS*.SBendtrans-100.7-1.1-172.5-114.6-3.4000114.8D385D385-N388 PolarHBondContact O-N 2.89Å
389T48.8Very low62.7Low35 Ų3570.2 Ų70.222%0.21544%0.439CS..  trans-94.3-9.7-175.648.40000114.7D379 L391D379-T389 PolarHBondContact OD1-OG1 2.89Å; T389-L391 PolarHBondContact O-N 3.25Å
390A55.6Low64.7Low36 Ų3671.5 Ų71.530%0.29845%0.45SS..PPolyproline II helixtrans-78.6120.6-177.200000111.8K374K374-A390 HydrophobicContact CB-CB 4.34Å; K374-A390 HydrophobicContact CD-CB 4.12Å; K374-A390 HydrophobicContact CG-CB 4.32Å
391L74.8Confident67.3Low43 Ų4369.2 Ų69.223%0.22542%0.418CS..EExtended strand (participates in β ladder)trans-85.4127.6176.1-129.7139.6000109.3M375 T389 W617 K618M375-L391 HydrophobicContact CB-CB 4.22Å; M375-L391 WeakPolarHBondContact CB-O 3.38Å; M375-L391 PolarHBondContact N-O 3.01Å; M375-L391 PolarHBondContact O-N 2.87Å; T389-L391 PolarHBondContact O-N 3.25Å; L391-W617 HydrophobicContact CD2-CG 4.47Å; L391-K618 HydrophobicContact CD1-CB 3.62Å; L391-K618 HydrophobicContact CD1-CG 4.1Å
392N87.8Confident70.3Confident92 Ų9266.6 Ų66.649%0.49239%0.391SS..EExtended strand (participates in β ladder)trans-94.7124.8-175-70.8-15.8000110.4I372I372-N392 HydrophobicContact CG2-CB 3.61Å
393M93.8Very high73.4Confident8 Ų863.3 Ų63.34%0.03937%0.371CS..EExtended strand (participates in β ladder)trans-109.2112.2171.5-174.8176.669.900109.6V339 I348 D350 V373 M375 V395V339-M393 HydrophobicContact CG1-SD 3.87Å; V339-M393 HydrophobicContact CG2-CE 3.71Å; V339-M393 HydrophobicContact CG2-CG 4.33Å; V339-M393 HydrophobicContact CG2-SD 3.93Å; I348-M393 HydrophobicContact CG2-CE 3.76Å; D350-M393 HydrophobicContact CB-CE 4.09Å; D350-M393 HydrophobicContact CB-SD 3.65Å; V373-M393 PolarHBondContact N-O 2.93Å; V373-M393 PolarHBondContact O-N 3.22Å; M375-M393 HydrophobicContact CE-CB 3.92Å; M375-M393 HydrophobicContact CE-CE 3.91Å; M375-M393 HydrophobicContact CE-CG 4.19Å; M375-M393 HydrophobicContact CE-SD 3.34Å; M375-M393 WeakPolarHBondContact CE-SD 3.43Å; M375-M393 HydrophobicContact CG-CB 4.5Å; M375-M393 HydrophobicContact SD-CB 4.36Å; M393-V395 HydrophobicContact CE-CG2 4.22Å
394P96.5Very high76.4Confident22 Ų2257 Ų5714%0.14334%0.342CS..EExtended strand (participates in β ladder)trans-66.3138171.1-18.632.1000111.6K337 A338 V339 L364 V370 K371 I372K337-P394 WeakPolarHBondContact O-CD 3.41Å; A338-P394 WeakPolarHBondContact CA-O 3.26Å; A338-P394 HydrophobicContact CB-CB 3.98Å; A338-P394 HydrophobicContact CB-CG 4.43Å; V339-P394 PolarHBondContact N-O 3.12Å; L364-P394 HydrophobicContact CD1-CB 3.57Å; L364-P394 HydrophobicContact CD1-CG 3.62Å; L364-P394 HydrophobicContact CD2-CB 4.13Å; L364-P394 HydrophobicContact CG-CB 4.45Å; V370-P394 HydrophobicContact CG1-CB 3.99Å; K371-P394 CarbonylContact O-C 3.58Å; I372-P394 HydrophobicContact CD1-CB 3.99Å; I372-P394 HydrophobicContact CD1-CG 4.08Å
395V97.3Very high79.4Confident2 Ų253.7 Ų53.71%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-127.2117.2-179-176.30000108.6V339 D341 I348 K371 V373 M393V339-V395 HydrophobicContact CG2-CB 4.36Å; V339-V395 HydrophobicContact CG2-CG1 4.29Å; V339-V395 HydrophobicContact CG2-CG2 3.84Å; V339-V395 WeakPolarHBondContact O-CA 3.42Å; D341-V395 HydrophobicContact CB-CG1 3.77Å; I348-V395 HydrophobicContact CD1-CG1 4.37Å; I348-V395 HydrophobicContact CD1-CG2 4.32Å; I348-V395 HydrophobicContact CG2-CG1 4.19Å; I348-V395 HydrophobicContact CG2-CG2 3.73Å; K371-V395 HydrophobicContact CB-CB 4.4Å; K371-V395 PolarHBondContact N-O 2.83Å; K371-V395 PolarHBondContact O-N 3.2Å; V373-V395 HydrophobicContact CB-CG2 4.3Å; V373-V395 HydrophobicContact CG2-CG2 3.59Å; M393-V395 HydrophobicContact CE-CG2 4.22Å
396I97.3Very high82.4Confident3 Ų348.5 Ų48.52%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-83.6120.9172.9-56.6172.3000106.8V339 I340 D341 L355 F363 L364 L367 A402V339-I396 PolarHBondContact O-N 2.92Å; I340-I396 WeakPolarHBondContact CA-O 3.44Å; I340-I396 HydrophobicContact CG1-CB 4.02Å; I340-I396 HydrophobicContact CG1-CD1 4.25Å; I340-I396 HydrophobicContact CG1-CG2 4.42Å; D341-I396 PolarHBondContact N-O 2.82Å; L355-I396 HydrophobicContact CD1-CD1 4.45Å; L355-I396 HydrophobicContact CD2-CD1 4.17Å; F363-I396 HydrophobicContact CE1-CD1 4.08Å; L364-I396 HydrophobicContact CD2-CD1 3.97Å; L364-I396 HydrophobicContact CD2-CG1 3.86Å; L367-I396 HydrophobicContact CD1-CD1 3.73Å; L367-I396 HydrophobicContact CD1-CG1 3.91Å; L367-I396 HydrophobicContact CD1-CG2 4.25Å; I396-A402 HydrophobicContact CG2-CB 4.42Å
397P95.7Very high85.4Confident27 Ų2748.3 Ų48.318%0.17528%0.275CS..EExtended strand (participates in β ladder)trans-68.9162.6177.330.6-35.2000111.1D369 N399 A402D369-P397 HydrophobicContact CB-CG 4.02Å; D369-P397 WeakPolarHBondContact O-CD 3.06Å; P397-N399 PolarHBondContact O-N 3Å; P397-N399 PolarHBondContact O-OD1 3.46Å; P397-A402 WeakPolarHBondContact O-CB 3.48Å
398M95.7Very high88.3Confident70 Ų7044 Ų4435%0.34525%0.245SC..SBendtrans-69.492173.7-163.463.7179.600110.6D341 S344 A402 E403 I406D341-M398 WeakPolarHBondContact O-CB 3.29Å; S344-M398 WeakPolarHBondContact OG-CB 3.34Å; M398-A402 HydrophobicContact SD-CB 4Å; M398-E403 HydrophobicContact CE-CG 3.68Å; M398-I406 HydrophobicContact CE-CD1 3.77Å; M398-I406 HydrophobicContact SD-CD1 3.85Å
399N93.9Very high90.9Very high33 Ų3337.5 Ų37.518%0.17621%0.21CC..SBendtrans-128-177.4175.563.513.5000109.8P397 I401 A402 E403P397-N399 PolarHBondContact O-N 3Å; P397-N399 PolarHBondContact O-OD1 3.46Å; N399-I401 PolarHBondContact O-N 2.75Å; N399-I401 VanDerWaalsContact O-N 3.09Å; N399-I401 WeakPolarHBondContact OD1-CB 3.45Å; N399-I401 PolarHBondContact OD1-N 3.35Å; N399-A402 WeakPolarHBondContact O-CB 3.38Å; N399-A402 PolarHBondContact O-N 3.17Å; N399-A402 PolarHBondContact OD1-N 2.92Å; N399-E403 WeakPolarHBondContact O-CG 3.3Å; N399-E403 PolarHBondContact O-N 3.06Å
400T95.2Very high93.3Very high110 Ų11041.3 Ų41.368%0.67523%0.229SC*.Hα-helixtrans-57.6-28.9-178.3-45.40000113.5A404T400-A404 WeakPolarHBondContact O-CB 3.38Å; T400-A404 PolarHBondContact O-N 3.19Å
401I95.4Very high95.3Very high32 Ų3247.7 Ų47.716%0.16425%0.245CC..Hα-helixtrans-72.1-45.6176.8-69.7176.2000110.6F363 L367 N399 E403 A404 V405 I418F363-I401 HydrophobicContact CZ-CG2 4.4Å; L367-I401 HydrophobicContact CD1-CG2 4.48Å; L367-I401 HydrophobicContact CD2-CD1 3.41Å; L367-I401 VanDerWaalsContact CD2-CD1 3.41Å; L367-I401 HydrophobicContact CD2-CG2 3.96Å; N399-I401 PolarHBondContact O-N 2.75Å; N399-I401 VanDerWaalsContact O-N 3.09Å; N399-I401 WeakPolarHBondContact OD1-CB 3.45Å; N399-I401 PolarHBondContact OD1-N 3.35Å; I401-E403 VanDerWaalsContact C-N 3.32Å; I401-E403 PolarHBondContact O-N 3.13Å; I401-A404 PolarHBondContact O-N 3.13Å; I401-V405 WeakPolarHBondContact O-CG2 3.38Å; I401-V405 PolarHBondContact O-N 2.68Å; I401-V405 VanDerWaalsContact O-N 3.12Å; I401-I418 HydrophobicContact CD1-CG2 4.12Å; I401-I418 HydrophobicContact CG1-CG2 4.14Å; I401-I418 HydrophobicContact CG2-CD1 3.89Å; I401-I418 HydrophobicContact CG2-CG2 4.04Å
402A96.6Very high96.3Very high0 Ų048.2 Ų48.20%026%0.262CS..Hα-helixtrans-60.6-41.7173.400000111.9I340 I396 P397 M398 N399 V405 I406I340-A402 HydrophobicContact CD1-CB 4.36Å; I340-A402 HydrophobicContact CG1-CB 4.48Å; I340-A402 HydrophobicContact CG2-CB 3.67Å; I396-A402 HydrophobicContact CG2-CB 4.42Å; P397-A402 WeakPolarHBondContact O-CB 3.48Å; M398-A402 HydrophobicContact SD-CB 4Å; N399-A402 WeakPolarHBondContact O-CB 3.38Å; N399-A402 PolarHBondContact O-N 3.17Å; N399-A402 PolarHBondContact OD1-N 2.92Å; A402-V405 PolarHBondContact O-N 3.13Å; A402-I406 WeakPolarHBondContact O-CG1 3.1Å; A402-I406 PolarHBondContact O-N 2.72Å
403E97Very high96.8Very high99 Ų9947.7 Ų47.746%0.46326%0.256SS..Hα-helixtrans-59.8-46.8175.9-72.2169.5176.400111.9M398 N399 I401 V405 I406 E407M398-E403 HydrophobicContact CE-CG 3.68Å; N399-E403 WeakPolarHBondContact O-CG 3.3Å; N399-E403 PolarHBondContact O-N 3.06Å; I401-E403 VanDerWaalsContact C-N 3.32Å; I401-E403 PolarHBondContact O-N 3.13Å; E403-V405 VanDerWaalsContact C-N 3.32Å; E403-V405 PolarHBondContact O-N 3.21Å; E403-I406 PolarHBondContact O-N 2.56Å; E403-E407 WeakPolarHBondContact O-CB 3.42Å; E403-E407 PolarHBondContact O-N 2.88Å
404A97.8Very high97Very high35 Ų3550.5 Ų50.529%0.28927%0.271SS..Hα-helixtrans-61.6-39.5177.700000112.3T400 I401 E407 M408 I416 I418T400-A404 WeakPolarHBondContact O-CB 3.38Å; T400-A404 PolarHBondContact O-N 3.19Å; I401-A404 PolarHBondContact O-N 3.13Å; A404-E407 PolarHBondContact O-N 2.87Å; A404-M408 PolarHBondContact O-N 3.32Å; A404-I416 HydrophobicContact CB-CD1 4.29Å; A404-I418 HydrophobicContact CB-CD1 4.48Å
405V98.2Very high97.1Very high2 Ų254.2 Ų54.21%0.01229%0.286CS..Hα-helixtrans-63.8-45.8174.6170.90000111.1I340 I401 A402 E403 E407 M408 I409 I416 I418 I423 V448I340-V405 HydrophobicContact CD1-CB 3.96Å; I340-V405 HydrophobicContact CD1-CG1 3.71Å; I340-V405 HydrophobicContact CD1-CG2 4.45Å; I401-V405 WeakPolarHBondContact O-CG2 3.38Å; I401-V405 PolarHBondContact O-N 2.68Å; I401-V405 VanDerWaalsContact O-N 3.12Å; A402-V405 PolarHBondContact O-N 3.13Å; E403-V405 VanDerWaalsContact C-N 3.32Å; E403-V405 PolarHBondContact O-N 3.21Å; V405-E407 VanDerWaalsContact C-N 3.34Å; V405-M408 WeakPolarHBondContact O-CB 3.27Å; V405-M408 PolarHBondContact O-N 3.15Å; V405-I409 WeakPolarHBondContact O-CG1 3.36Å; V405-I409 PolarHBondContact O-N 3.14Å; V405-I416 HydrophobicContact CG2-CD1 4.31Å; V405-I418 HydrophobicContact CG2-CD1 3.84Å; V405-I423 HydrophobicContact CG2-CG2 4.31Å; V405-V448 HydrophobicContact CG1-CB 4.37Å; V405-V448 HydrophobicContact CG1-CG1 3.74Å; V405-V448 HydrophobicContact CG1-CG2 3.77Å
406I97.6Very high97.1Very high34 Ų3455.6 Ų55.617%0.17429%0.293CS..Hα-helixtrans-65.4-39.4178.6-69.6164.9000110.9I340 F342 I353 M398 A402 E403 I409 N410I340-I406 HydrophobicContact CG2-CD1 4.34Å; F342-I406 HydrophobicContact CB-CD1 4.37Å; I353-I406 HydrophobicContact CD1-CD1 4.01Å; I353-I406 HydrophobicContact CD1-CG1 3.98Å; M398-I406 HydrophobicContact CE-CD1 3.77Å; M398-I406 HydrophobicContact SD-CD1 3.85Å; A402-I406 WeakPolarHBondContact O-CG1 3.1Å; A402-I406 PolarHBondContact O-N 2.72Å; E403-I406 PolarHBondContact O-N 2.56Å; I406-I409 PolarHBondContact O-N 3.27Å; I406-N410 WeakPolarHBondContact CG2-ND2 3.44Å; I406-N410 WeakPolarHBondContact O-CB 3.5Å; I406-N410 VanDerWaalsContact O-CG 3.28Å; I406-N410 PolarHBondContact O-N 3.45Å; I406-N410 PolarHBondContact O-ND2 3.36Å
407E98.2Very high97.2Very high88 Ų8860.2 Ų60.241%0.41132%0.322SS..Hα-helixtrans-62.7-41.8176.1-176.6170.9-160.500111.9E403 A404 V405 I409 N410 R411E403-E407 WeakPolarHBondContact O-CB 3.42Å; E403-E407 PolarHBondContact O-N 2.88Å; A404-E407 PolarHBondContact O-N 2.87Å; V405-E407 VanDerWaalsContact C-N 3.34Å; E407-I409 VanDerWaalsContact C-N 3.27Å; E407-I409 PolarHBondContact O-N 2.97Å; E407-N410 PolarHBondContact O-N 3.44Å; E407-R411 HydrophobicContact CG-CG 4.13Å; E407-R411 WeakPolarHBondContact O-CB 3.37Å; E407-R411 WeakPolarHBondContact O-CG 3.24Å; E407-R411 PolarHBondContact O-N 2.86Å; E407-R411 IonicContact OE1-CZ 3.66Å; E407-R411 IonicContact OE1-NE 3.69Å; E407-R411 PolarHBondContact OE1-NE 2.99Å; E407-R411 IonicContact OE1-NH2 2.73Å; E407-R411 PolarHBondContact OE1-NH2 2.95Å
408M98.5Very high97.3Very high0 Ų059.7 Ų59.70%032%0.317CS..Hα-helixtrans-55-45.4173.5178.6-166.262.500111.1A404 V405 G412 Q413 I416 I423 N425 V448A404-M408 PolarHBondContact O-N 3.32Å; V405-M408 WeakPolarHBondContact O-CB 3.27Å; V405-M408 PolarHBondContact O-N 3.15Å; M408-G412 PolarHBondContact O-N 3.47Å; M408-Q413 HydrophobicContact CB-CB 4.42Å; M408-Q413 HydrophobicContact CG-CB 3.72Å; M408-Q413 PolarHBondContact O-N 3.42Å; M408-I416 HydrophobicContact CB-CD1 4.15Å; M408-I416 HydrophobicContact CB-CG2 3.91Å; M408-I416 HydrophobicContact CG-CG2 3.87Å; M408-I416 HydrophobicContact SD-CB 4.37Å; M408-I416 HydrophobicContact SD-CD1 4.36Å; M408-I416 HydrophobicContact SD-CG1 3.86Å; M408-I416 HydrophobicContact SD-CG2 4.08Å; M408-I423 HydrophobicContact CE-CG2 4.23Å; M408-N425 HydrophobicContact CE-CB 4.21Å; M408-N425 HydrophobicContact SD-CB 4.36Å; M408-V448 HydrophobicContact CE-CB 4.13Å; M408-V448 HydrophobicContact CE-CG2 3.97Å
409I98.3Very high97.3Very high16 Ų1660.9 Ų60.98%0.08233%0.325CS..Hα-helixtrans-66-50.2178.6-60.8-57.3000110.9V405 I406 E407 R411 G412 N425 V448 T450 Q453V405-I409 WeakPolarHBondContact O-CG1 3.36Å; V405-I409 PolarHBondContact O-N 3.14Å; I406-I409 PolarHBondContact O-N 3.27Å; E407-I409 VanDerWaalsContact C-N 3.27Å; E407-I409 PolarHBondContact O-N 2.97Å; I409-R411 VanDerWaalsContact C-N 3.3Å; I409-R411 PolarHBondContact O-N 3.29Å; I409-G412 PolarHBondContact O-N 3.19Å; I409-N425 HydrophobicContact CD1-CB 4.29Å; I409-V448 HydrophobicContact CD1-CB 4.22Å; I409-V448 HydrophobicContact CD1-CG1 3.97Å; I409-V448 HydrophobicContact CG1-CG1 4.07Å; I409-T450 HydrophobicContact CD1-CG2 4.45Å; I409-T450 HydrophobicContact CG1-CG2 4.01Å; I409-T450 HydrophobicContact CG2-CG2 4.25Å; I409-Q453 HydrophobicContact CG2-CG 4.03Å
410N97.8Very high97.5Very high116 Ų11662.5 Ų62.562%0.6235%0.349SS*.Hα-helixtrans-63.5-34.5-176.7-70.3-16.5000112.9I406 E407 G412I406-N410 WeakPolarHBondContact CG2-ND2 3.44Å; I406-N410 WeakPolarHBondContact O-CB 3.5Å; I406-N410 VanDerWaalsContact O-CG 3.28Å; I406-N410 PolarHBondContact O-N 3.45Å; I406-N410 PolarHBondContact O-ND2 3.36Å; E407-N410 PolarHBondContact O-N 3.44Å; N410-G412 VanDerWaalsContact C-N 3.31Å
411R97.9Very high97.6Very high169 Ų16959.6 Ų59.664%0.63833%0.327SS*.THydrogen-bonded Turntrans-84.1-3.1176.9-67.1-171-179.2-137.86.9113.6E407 I409 Q413E407-R411 HydrophobicContact CG-CG 4.13Å; E407-R411 WeakPolarHBondContact O-CB 3.37Å; E407-R411 WeakPolarHBondContact O-CG 3.24Å; E407-R411 PolarHBondContact O-N 2.86Å; E407-R411 IonicContact OE1-CZ 3.66Å; E407-R411 IonicContact OE1-NE 3.69Å; E407-R411 PolarHBondContact OE1-NE 2.99Å; E407-R411 IonicContact OE1-NH2 2.73Å; E407-R411 PolarHBondContact OE1-NH2 2.95Å; I409-R411 VanDerWaalsContact C-N 3.3Å; I409-R411 PolarHBondContact O-N 3.29Å; R411-Q413 HydrophobicContact CB-CG 4.01Å; R411-Q413 PolarHBondContact O-N 3.26Å
412G96.5Very high97.8Very high55 Ų5560.6 Ų60.657%0.56734%0.337SS*.THydrogen-bonded Turntrans63.127.6-175.700000113.4M408 I409 N410M408-G412 PolarHBondContact O-N 3.47Å; I409-G412 PolarHBondContact O-N 3.19Å; N410-G412 VanDerWaalsContact C-N 3.31Å
413Q98.1Very high97.9Very high80 Ų8060.6 Ų60.637%0.37434%0.337SS..  trans-69.4146.8176.9-72.6176.1-20.500110.4M408 R411 N425M408-Q413 HydrophobicContact CB-CB 4.42Å; M408-Q413 HydrophobicContact CG-CB 3.72Å; M408-Q413 PolarHBondContact O-N 3.42Å; R411-Q413 HydrophobicContact CB-CG 4.01Å; R411-Q413 PolarHBondContact O-N 3.26Å; Q413-N425 WeakPolarHBondContact O-CB 3.31Å; Q413-N425 PolarHBondContact O-ND2 3.11Å
414I98.2Very high98Very high68 Ų6855.9 Ų55.935%0.34932%0.315SS..SBendtrans-71.1-47.2-177.4-64.7173.4000111N425 A428 I432I414-N425 WeakPolarHBondContact O-CB 3.29Å; I414-N425 PolarHBondContact O-N 2.87Å; I414-A428 HydrophobicContact CB-CB 4.3Å; I414-A428 HydrophobicContact CG1-CB 4.28Å; I414-A428 HydrophobicContact CG2-CB 3.95Å; I414-I432 HydrophobicContact CG2-CD1 3.85Å; I414-I432 HydrophobicContact CG2-CG1 3.61Å
415Q98Very high98Very high99 Ų9954.5 Ų54.546%0.46330%0.303SS..EExtended strand (participates in β ladder)trans-159.9157.2-176.963.5-178.90.700111.5I423Q415-I423 CarbonylContact C-O 3.51Å; Q415-I423 WeakPolarHBondContact CA-O 3.41Å; Q415-I423 WeakPolarHBondContact CB-O 3.42Å
416I98.4Very high98Very high31 Ų3154.4 Ų54.416%0.15930%0.302CS..EExtended strand (participates in β ladder)trans-130.3169.716963.5178.1000110.1A404 V405 M408 I418 I423A404-I416 HydrophobicContact CB-CD1 4.29Å; V405-I416 HydrophobicContact CG2-CD1 4.31Å; M408-I416 HydrophobicContact CB-CD1 4.15Å; M408-I416 HydrophobicContact CB-CG2 3.91Å; M408-I416 HydrophobicContact CG-CG2 3.87Å; M408-I416 HydrophobicContact SD-CB 4.37Å; M408-I416 HydrophobicContact SD-CD1 4.36Å; M408-I416 HydrophobicContact SD-CG1 3.86Å; M408-I416 HydrophobicContact SD-CG2 4.08Å; I416-I418 HydrophobicContact CD1-CD1 3.8Å; I416-I418 HydrophobicContact CD1-CG1 4.08Å; I416-I418 HydrophobicContact CG1-CD1 4.48Å; I416-I418 HydrophobicContact CG1-CG1 4.33Å; I416-I423 HydrophobicContact CG1-CB 3.85Å; I416-I423 HydrophobicContact CG1-CG1 4.41Å; I416-I423 HydrophobicContact CG1-CG2 4.43Å; I416-I423 PolarHBondContact N-O 3.3Å; I416-I423 PolarHBondContact O-N 3.1Å
417T98.5Very high98.1Very high101 Ų10156.3 Ų56.362%0.6231%0.312SS*.EExtended strand (participates in β ladder)trans-119129.5173.7-57.80000109.8F421T417-F421 WeakPolarHBondContact CA-O 3.4Å
418I97.8Very high98.1Very high16 Ų1652.3 Ų52.38%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-130.8122.8176.6-56.2-173.9000107.8F363 I401 A404 V405 I416 G420 F421 I423F363-I418 HydrophobicContact CE2-CB 4.07Å; F363-I418 HydrophobicContact CE2-CG2 3.98Å; I401-I418 HydrophobicContact CD1-CG2 4.12Å; I401-I418 HydrophobicContact CG1-CG2 4.14Å; I401-I418 HydrophobicContact CG2-CD1 3.89Å; I401-I418 HydrophobicContact CG2-CG2 4.04Å; A404-I418 HydrophobicContact CB-CD1 4.48Å; V405-I418 HydrophobicContact CG2-CD1 3.84Å; I416-I418 HydrophobicContact CD1-CD1 3.8Å; I416-I418 HydrophobicContact CD1-CG1 4.08Å; I416-I418 HydrophobicContact CG1-CD1 4.48Å; I416-I418 HydrophobicContact CG1-CG1 4.33Å; I418-G420 PolarHBondContact O-N 2.98Å; I418-G420 VanDerWaalsContact O-N 3.09Å; I418-F421 PolarHBondContact N-O 3.36Å; I418-F421 WeakPolarHBondContact O-CB 3.07Å; I418-F421 PolarHBondContact O-N 2.91Å; I418-I423 HydrophobicContact CB-CG1 4.32Å; I418-I423 HydrophobicContact CD1-CG1 4.27Å; I418-I423 HydrophobicContact CG1-CG1 4.13Å
419N96.6Very high98Very high95 Ų9552.7 Ų52.751%0.50830%0.297SS..THydrogen-bonded Turntrans51.233.1-177.5-60.3-11.6000113.6S366 F421S366-N419 PolarHBondContact O-ND2 3.4Å; S366-N419 PolarHBondContact OG-ND2 2.99Å; S366-N419 VanDerWaalsContact OG-ND2 3.14Å; N419-F421 VanDerWaalsContact C-N 3.29Å; N419-F421 HydrophobicContact CB-CD2 4.21Å; N419-F421 WeakPolarHBondContact O-CD2 3.34Å; N419-F421 PolarHBondContact O-N 3.23Å
420G97Very high98Very high66 Ų6655 Ų5568%0.6831%0.312SS*.THydrogen-bonded Turntrans81.7-6.1-176.500000115.4I418I418-G420 PolarHBondContact O-N 2.98Å; I418-G420 VanDerWaalsContact O-N 3.09Å
421F98.4Very high98Very high50 Ų5055.8 Ų55.822%0.21931%0.311CS..EExtended strand (participates in β ladder)trans-85.3134.2175.7-63.4-90.8000111.3D359 A362 F363 T417 I418 N419 I423 I446D359-F421 HydrophobicContact CB-CE1 4.35Å; A362-F421 VanDerWaalsContact C-CZ 3.49Å; A362-F421 HydrophobicContact CB-CE1 3.91Å; A362-F421 HydrophobicContact CB-CZ 3.91Å; F363-F421 HydrophobicContact CB-CD1 3.91Å; F363-F421 HydrophobicContact CB-CD2 4.19Å; F363-F421 HydrophobicContact CB-CE1 4.09Å; F363-F421 HydrophobicContact CB-CE2 4.37Å; F363-F421 HydrophobicContact CB-CG 3.96Å; F363-F421 HydrophobicContact CB-CZ 4.32Å; F363-F421 HydrophobicContact CD2-CB 3.93Å; F363-F421 AromaticContact CD2-CD2 3.77Å; F363-F421 HydrophobicContact CD2-CD2 3.77Å; F363-F421 HydrophobicContact CD2-CE2 4.48Å; F363-F421 AromaticContact CD2-CG 3.87Å; F363-F421 HydrophobicContact CD2-CG 3.87Å; F363-F421 HydrophobicContact CG-CD2 4.49Å; F363-F421 HydrophobicContact CG-CG 4.36Å; T417-F421 WeakPolarHBondContact CA-O 3.4Å; I418-F421 PolarHBondContact N-O 3.36Å; I418-F421 WeakPolarHBondContact O-CB 3.07Å; I418-F421 PolarHBondContact O-N 2.91Å; N419-F421 VanDerWaalsContact C-N 3.29Å; N419-F421 HydrophobicContact CB-CD2 4.21Å; N419-F421 WeakPolarHBondContact O-CD2 3.34Å; N419-F421 PolarHBondContact O-N 3.23Å; F421-I423 HydrophobicContact CB-CD1 4.18Å; F421-I423 PolarHBondContact O-N 2.64Å; F421-I446 HydrophobicContact CB-CD1 4.36Å; F421-I446 HydrophobicContact CD1-CD1 4.3Å
422S98.3Very high97.9Very high52 Ų5250.3 Ų50.336%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-77.8115.4172-57.60000110.6I446S422-I446 PolarHBondContact O-N 3.41Å
423I98.6Very high98Very high0 Ų049.3 Ų49.30%028%0.276CS..EExtended strand (participates in β ladder)trans-105116.1176.3-47.8-54.1000108F363 V405 M408 Q415 I416 I418 F421 I446 V448F363-I423 HydrophobicContact CD2-CD1 4.2Å; F363-I423 HydrophobicContact CE1-CD1 4.32Å; F363-I423 HydrophobicContact CE2-CD1 3.91Å; F363-I423 HydrophobicContact CZ-CD1 3.97Å; V405-I423 HydrophobicContact CG2-CG2 4.31Å; M408-I423 HydrophobicContact CE-CG2 4.23Å; Q415-I423 CarbonylContact C-O 3.51Å; Q415-I423 WeakPolarHBondContact CA-O 3.41Å; Q415-I423 WeakPolarHBondContact CB-O 3.42Å; I416-I423 HydrophobicContact CG1-CB 3.85Å; I416-I423 HydrophobicContact CG1-CG1 4.41Å; I416-I423 HydrophobicContact CG1-CG2 4.43Å; I416-I423 PolarHBondContact N-O 3.3Å; I416-I423 PolarHBondContact O-N 3.1Å; I418-I423 HydrophobicContact CB-CG1 4.32Å; I418-I423 HydrophobicContact CD1-CG1 4.27Å; I418-I423 HydrophobicContact CG1-CG1 4.13Å; F421-I423 HydrophobicContact CB-CD1 4.18Å; F421-I423 PolarHBondContact O-N 2.64Å; I423-I446 CarbonylContact C-O 3.55Å; I423-I446 WeakPolarHBondContact CA-O 3.35Å; I423-I446 HydrophobicContact CD1-CB 3.82Å; I423-I446 HydrophobicContact CD1-CD1 3.95Å; I423-I446 HydrophobicContact CD1-CG1 4.43Å; I423-I446 HydrophobicContact CD1-CG2 4.09Å; I423-V448 HydrophobicContact CG2-CG2 3.37Å
424S98.7Very high98Very high0 Ų050 Ų500%028%0.282CS..EExtended strand (participates in β ladder)trans-106.1140.1-172.2-61.10000111.8G426 I432 T445 I446 V448S424-G426 PolarHBondContact O-N 3.05Å; S424-I432 WeakPolarHBondContact OG-CD1 3.25Å; S424-T445 WeakPolarHBondContact CB-OG1 3.29Å; S424-T445 VanDerWaalsContact OG-CB 3.23Å; S424-T445 WeakPolarHBondContact OG-CB 3.48Å; S424-T445 PolarHBondContact OG-OG1 2.53Å; S424-I446 PolarHBondContact N-O 2.74Å; S424-V448 PolarHBondContact O-N 3.14Å
425N98.7Very high98Very high6 Ų650.5 Ų50.53%0.03228%0.282CS..EExtended strand (participates in β ladder)trans-72.7123.8169.5-173.7-23.6000109.9M408 I409 Q413 I414 L427 A428 Q453M408-N425 HydrophobicContact CE-CB 4.21Å; M408-N425 HydrophobicContact SD-CB 4.36Å; I409-N425 HydrophobicContact CD1-CB 4.29Å; Q413-N425 WeakPolarHBondContact O-CB 3.31Å; Q413-N425 PolarHBondContact O-ND2 3.11Å; I414-N425 WeakPolarHBondContact O-CB 3.29Å; I414-N425 PolarHBondContact O-N 2.87Å; N425-L427 PolarHBondContact O-N 2.82Å; N425-L427 VanDerWaalsContact O-N 3.09Å; N425-L427 PolarHBondContact OD1-N 3Å; N425-L427 VanDerWaalsContact OD1-N 3.16Å; N425-A428 HydrophobicContact CB-CB 4.42Å; N425-A428 PolarHBondContact O-N 3.09Å; N425-Q453 PolarHBondContact OD1-NE2 2.65Å
426G98.5Very high98Very high0 Ų046 Ų460%026%0.262CS..THydrogen-bonded Turntrans-61.1-16-177.600000116.2S424 I447 V448 R532S424-G426 PolarHBondContact O-N 3.05Å; G426-I447 VanDerWaalsContact CA-CG2 3.47Å; G426-V448 WeakPolarHBondContact CA-O 3.39Å; G426-V448 PolarHBondContact N-O 3.34Å; G426-R532 PolarHBondContact O-NH2 2.83Å
427L98.3Very high98Very high74 Ų7444.6 Ų44.639%0.38726%0.255SS..THydrogen-bonded Turntrans-85-8.5172.9-66.6-178.5000113.7N425 Q453 Y454N425-L427 PolarHBondContact O-N 2.82Å; N425-L427 VanDerWaalsContact O-N 3.09Å; N425-L427 PolarHBondContact OD1-N 3Å; N425-L427 VanDerWaalsContact OD1-N 3.16Å; L427-Q453 HydrophobicContact CD1-CB 3.78Å; L427-Q453 HydrophobicContact CD1-CG 3.77Å; L427-Q453 HydrophobicContact CD2-CB 4.26Å; L427-Q453 HydrophobicContact CG-CB 3.97Å; L427-Q453 HydrophobicContact CG-CG 3.86Å; L427-Y454 HydrophobicContact CD2-CE1 3.71Å
428A98.1Very high98Very high5 Ų540.9 Ų40.94%0.04123%0.232CC..  trans-113.615.8-172.900000113.4I414 N425 T430 Q431 I432I414-A428 HydrophobicContact CB-CB 4.3Å; I414-A428 HydrophobicContact CG1-CB 4.28Å; I414-A428 HydrophobicContact CG2-CB 3.95Å; N425-A428 HydrophobicContact CB-CB 4.42Å; N425-A428 PolarHBondContact O-N 3.09Å; A428-T430 VanDerWaalsContact C-N 3.28Å; A428-T430 PolarHBondContact O-N 3.42Å; A428-Q431 WeakPolarHBondContact O-CB 3.32Å; A428-Q431 PolarHBondContact O-N 3.37Å; A428-I432 HydrophobicContact CB-CD1 4.47Å; A428-I432 WeakPolarHBondContact O-CG1 3.37Å; A428-I432 PolarHBondContact O-N 2.79Å
429T97.8Very high98Very high8 Ų840.4 Ų40.45%0.04923%0.231CC..Hα-helixtrans-59.1-36.4-176.253.20000112.9Q431 I432 N433 I447T429-Q431 VanDerWaalsContact C-N 3.27Å; T429-Q431 PolarHBondContact O-N 2.81Å; T429-I432 PolarHBondContact O-N 3.06Å; T429-N433 CarbonylContact O-C 3.45Å; T429-N433 VanDerWaalsContact O-C 3.3Å; T429-N433 PolarHBondContact O-N 2.7Å; T429-N433 VanDerWaalsContact O-O 3.1Å; T429-I447 HydrophobicContact CG2-CD1 4.12Å
430T97.1Very high98.1Very high64 Ų6437.3 Ų37.339%0.39321%0.213SC..Hα-helixtrans-64.1-29.8175.952.70000113.3A428 A437 P526A428-T430 VanDerWaalsContact C-N 3.28Å; A428-T430 PolarHBondContact O-N 3.42Å; T430-A437 HydrophobicContact CG2-CB 3.7Å; T430-P526 HydrophobicContact CG2-CB 4.39Å; T430-P526 HydrophobicContact CG2-CG 3.58Å
431Q97.6Very high98.2Very high132 Ų13237.3 Ų37.362%0.61720%0.195SC*.Hα-helixtrans-80.6-24.4177.1-61.3177.360.100112.1A428 T429A428-Q431 WeakPolarHBondContact O-CB 3.32Å; A428-Q431 PolarHBondContact O-N 3.37Å; T429-Q431 VanDerWaalsContact C-N 3.27Å; T429-Q431 PolarHBondContact O-N 2.81Å
432I97.4Very high98.2Very high54 Ų5437.2 Ų37.228%0.27720%0.199SC..Hα-helixtrans-90.7-52.8-177.7-62.9166.6000110.6I414 S424 A428 T429I414-I432 HydrophobicContact CG2-CD1 3.85Å; I414-I432 HydrophobicContact CG2-CG1 3.61Å; S424-I432 WeakPolarHBondContact OG-CD1 3.25Å; A428-I432 HydrophobicContact CB-CD1 4.47Å; A428-I432 WeakPolarHBondContact O-CG1 3.37Å; A428-I432 PolarHBondContact O-N 2.79Å; T429-I432 PolarHBondContact O-N 3.06Å
433N97.8Very high98.2Very high35 Ų3535 Ų3519%0.18718%0.183CC..  trans-153.8104.8174.5-178.1-8.3000109.8T429 K435 A436 A437 E441T429-N433 CarbonylContact O-C 3.45Å; T429-N433 VanDerWaalsContact O-C 3.3Å; T429-N433 PolarHBondContact O-N 2.7Å; T429-N433 VanDerWaalsContact O-O 3.1Å; N433-K435 VanDerWaalsContact C-N 3.33Å; N433-K435 PolarHBondContact O-N 2.85Å; N433-K435 WeakPolarHBondContact OD1-CB 3.36Å; N433-K435 PolarHBondContact OD1-N 3.45Å; N433-A436 HydrophobicContact CB-CB 3.82Å; N433-A436 WeakPolarHBondContact O-CB 3.43Å; N433-A436 PolarHBondContact O-N 2.97Å; N433-A436 VanDerWaalsContact O-N 3.13Å; N433-A436 PolarHBondContact OD1-N 3.17Å; N433-A437 PolarHBondContact O-N 3.21Å; N433-E441 PolarHBondContact ND2-OE2 3.08Å
434N97.7Very high98.1Very high94 Ų9444.3 Ų44.350%0.50322%0.219SC..Hα-helixtrans-61.7-37179.8-169.367000113.2A436 A437 T438N434-A436 VanDerWaalsContact C-N 3.29Å; N434-A436 PolarHBondContact O-N 3.2Å; N434-A437 WeakPolarHBondContact O-CB 3.31Å; N434-A437 PolarHBondContact O-N 2.98Å; N434-A437 VanDerWaalsContact O-N 3.17Å; N434-T438 PolarHBondContact O-N 2.65Å; N434-T438 PolarHBondContact O-OG1 2.81Å
435K98.2Very high98.1Very high78 Ų7845.6 Ų45.634%0.33923%0.227SC..Hα-helixtrans-65.4-35175.8-72.7-163.2167.6-162.50112N219 N433 T438 G439 E440 E441N219-K435 PolarHBondContact OD1-NZ 2.81Å; N433-K435 VanDerWaalsContact C-N 3.33Å; N433-K435 PolarHBondContact O-N 2.85Å; N433-K435 WeakPolarHBondContact OD1-CB 3.36Å; N433-K435 PolarHBondContact OD1-N 3.45Å; K435-T438 PolarHBondContact O-OG1 3.33Å; K435-T438 VanDerWaalsContact O-OG1 3.08Å; K435-G439 PolarHBondContact O-N 2.92Å; K435-E440 HydrophobicContact CB-CB 4.07Å; K435-E440 HydrophobicContact CG-CB 4.43Å; K435-E440 WeakPolarHBondContact O-CB 3.35Å; K435-E440 PolarHBondContact O-N 3.24Å; K435-E441 HydrophobicContact CB-CB 4.09Å; K435-E441 HydrophobicContact CB-CG 3.8Å; K435-E441 HydrophobicContact CD-CG 4.22Å; K435-E441 VanDerWaalsContact CD-OE1 3.27Å; K435-E441 WeakPolarHBondContact CD-OE1 3.36Å; K435-E441 PolarHBondContact O-N 3.12Å
436A98.2Very high98.1Very high6 Ų645.5 Ų45.55%0.0523%0.226CC..Hα-helixtrans-68.3-38.6173.100000111.8N433 N434 T438 G439 E441 P443 E528N433-A436 HydrophobicContact CB-CB 3.82Å; N433-A436 WeakPolarHBondContact O-CB 3.43Å; N433-A436 PolarHBondContact O-N 2.97Å; N433-A436 VanDerWaalsContact O-N 3.13Å; N433-A436 PolarHBondContact OD1-N 3.17Å; N434-A436 VanDerWaalsContact C-N 3.29Å; N434-A436 PolarHBondContact O-N 3.2Å; A436-T438 PolarHBondContact O-N 2.71Å; A436-G439 PolarHBondContact O-N 2.9Å; A436-E441 WeakPolarHBondContact CA-O 3.34Å; A436-P443 HydrophobicContact CB-CB 4.37Å; A436-P443 HydrophobicContact CB-CG 4.09Å; A436-E528 VanDerWaalsContact O-CB 3.26Å; A436-E528 WeakPolarHBondContact O-CB 3.41Å
437A98.4Very high98.1Very high0 Ų045.6 Ų45.60%023%0.226CC..Hα-helixtrans-65.1-35.9178.200000113.1T430 N433 N434 G439 P526 K527 E528T430-A437 HydrophobicContact CG2-CB 3.7Å; N433-A437 PolarHBondContact O-N 3.21Å; N434-A437 WeakPolarHBondContact O-CB 3.31Å; N434-A437 PolarHBondContact O-N 2.98Å; N434-A437 VanDerWaalsContact O-N 3.17Å; A437-G439 VanDerWaalsContact C-N 3.31Å; A437-P526 HydrophobicContact CB-CB 3.93Å; A437-P526 HydrophobicContact CB-CG 4.42Å; A437-P526 CarbonylContact O-C 3.59Å; A437-P526 VanDerWaalsContact O-CB 3.23Å; A437-P526 WeakPolarHBondContact O-CB 3.43Å; A437-K527 PolarHBondContact O-N 3.48Å; A437-E528 WeakPolarHBondContact O-CB 3.38Å; A437-E528 PolarHBondContact O-N 3.35Å
438T98.2Very high98.2Very high24 Ų2442.1 Ų42.115%0.14721%0.208CC..Hα-helixtrans-79.4-11.6176.654.90000113.5N434 K435 A436 E440N434-T438 PolarHBondContact O-N 2.65Å; N434-T438 PolarHBondContact O-OG1 2.81Å; K435-T438 PolarHBondContact O-OG1 3.33Å; K435-T438 VanDerWaalsContact O-OG1 3.08Å; A436-T438 PolarHBondContact O-N 2.71Å; T438-E440 WeakPolarHBondContact OG1-CG 3.46Å; T438-E440 PolarHBondContact OG1-OE1 2.85Å
439G98.4Very high98.2Very high5 Ų541.9 Ų41.95%0.05221%0.206CC..THydrogen-bonded Turntrans83.310.1-175.500000114.2M330 K435 A436 A437 E441M330-G439 WeakPolarHBondContact CE-O 3.3Å; K435-G439 PolarHBondContact O-N 2.92Å; A436-G439 PolarHBondContact O-N 2.9Å; A437-G439 VanDerWaalsContact C-N 3.31Å; G439-E441 VanDerWaalsContact C-N 3.33Å
440E98.5Very high98.2Very high30 Ų3041.6 Ų41.614%0.1421%0.205CC..SBendtrans-73.7-26.4173.9-73177.7-97.700112.7T218 N219 F220 K435 T438T218-E440 VanDerWaalsContact CA-OE2 3.27Å; T218-E440 WeakPolarHBondContact CA-OE2 3.45Å; T218-E440 WeakPolarHBondContact CB-OE2 3.18Å; N219-E440 HydrophobicContact CB-CB 3.8Å; N219-E440 HydrophobicContact CB-CG 4.09Å; N219-E440 PolarHBondContact N-OE2 2.91Å; N219-E440 PolarHBondContact ND2-O 3.18Å; F220-E440 HydrophobicContact CD2-CG 3.94Å; F220-E440 HydrophobicContact CE2-CG 3.48Å; F220-E440 VanDerWaalsContact CE2-CG 3.48Å; F220-E440 HydrophobicContact CZ-CG 3.9Å; K435-E440 HydrophobicContact CB-CB 4.07Å; K435-E440 HydrophobicContact CG-CB 4.43Å; K435-E440 WeakPolarHBondContact O-CB 3.35Å; K435-E440 PolarHBondContact O-N 3.24Å; T438-E440 WeakPolarHBondContact OG1-CG 3.46Å; T438-E440 PolarHBondContact OG1-OE1 2.85Å
441E98.6Very high98.3Very high66 Ų6638.6 Ų38.631%0.30819%0.186SC..SBendtrans-130.1154174.4-73.1178.2-17400110.4N433 K435 A436 G439N433-E441 PolarHBondContact ND2-OE2 3.08Å; K435-E441 HydrophobicContact CB-CB 4.09Å; K435-E441 HydrophobicContact CB-CG 3.8Å; K435-E441 HydrophobicContact CD-CG 4.22Å; K435-E441 VanDerWaalsContact CD-OE1 3.27Å; K435-E441 WeakPolarHBondContact CD-OE1 3.36Å; K435-E441 PolarHBondContact O-N 3.12Å; A436-E441 WeakPolarHBondContact CA-O 3.34Å; G439-E441 VanDerWaalsContact C-N 3.33Å
442V98.6Very high98.3Very high48 Ų4835 Ų3529%0.29118%0.176SC..  trans-77.2131.8170.6-1800000109P332 I358 R444P332-V442 HydrophobicContact CG-CB 4.37Å; P332-V442 HydrophobicContact CG-CG1 3.72Å; P332-V442 HydrophobicContact CG-CG2 3.66Å; I358-V442 HydrophobicContact CD1-CG1 3.87Å; I358-V442 HydrophobicContact CG1-CG1 3.83Å; V442-R444 PolarHBondContact O-N 3.08Å
443P98.4Very high98.4Very high6 Ų633.8 Ų33.84%0.03917%0.169CC..  trans-56.8131.9173.5-23.732.2000112.6A436 I447 E528A436-P443 HydrophobicContact CB-CB 4.37Å; A436-P443 HydrophobicContact CB-CG 4.09Å; P443-I447 HydrophobicContact CB-CD1 3.67Å; P443-I447 HydrophobicContact CG-CD1 3.84Å; P443-E528 HydrophobicContact CG-CG 3.95Å
444R97.6Very high98.4Very high196 Ų19633 Ų3374%0.7416%0.163SC*.  trans-95.40.7-179.9-62.2-171.4-68.9-153.8-5.1113.9V442V442-R444 PolarHBondContact O-N 3.08Å
445T98.3Very high98.5Very high27 Ų2731.1 Ų31.117%0.16617%0.167CC..SBendtrans-112.9167.5179.364.90000110.7S424S424-T445 WeakPolarHBondContact CB-OG1 3.29Å; S424-T445 VanDerWaalsContact OG-CB 3.23Å; S424-T445 WeakPolarHBondContact OG-CB 3.48Å; S424-T445 PolarHBondContact OG-OG1 2.53Å
446I98.8Very high98.5Very high4 Ų427.8 Ų27.82%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-85.5119.7170.2-64.2169.8000107.6L355 N356 L360 F363 F421 S422 I423 S424L355-I446 HydrophobicContact CB-CG2 4.22Å; L355-I446 HydrophobicContact CD2-CG2 4.05Å; N356-I446 CarbonylContact O-C 3.48Å; N356-I446 VanDerWaalsContact O-CA 3.32Å; N356-I446 WeakPolarHBondContact O-CA 3.43Å; L360-I446 HydrophobicContact CD1-CG2 4.11Å; F363-I446 HydrophobicContact CB-CD1 3.2Å; F363-I446 HydrophobicContact CD1-CD1 3.72Å; F363-I446 HydrophobicContact CD2-CD1 4.22Å; F363-I446 HydrophobicContact CG-CD1 3.45Å; F363-I446 VanDerWaalsContact CG-CD1 3.45Å; F421-I446 HydrophobicContact CB-CD1 4.36Å; F421-I446 HydrophobicContact CD1-CD1 4.3Å; S422-I446 PolarHBondContact O-N 3.41Å; I423-I446 CarbonylContact C-O 3.55Å; I423-I446 WeakPolarHBondContact CA-O 3.35Å; I423-I446 HydrophobicContact CD1-CB 3.82Å; I423-I446 HydrophobicContact CD1-CD1 3.95Å; I423-I446 HydrophobicContact CD1-CG1 4.43Å; I423-I446 HydrophobicContact CD1-CG2 4.09Å; S424-I446 PolarHBondContact N-O 2.74Å
447I98.9Very high98.5Very high2 Ų229 Ų291%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-99.1130.7-177-55.9172.5000110.2L355 N356 G426 T429 P443L355-I447 WeakPolarHBondContact CA-O 3.48Å; N356-I447 PolarHBondContact N-O 2.79Å; N356-I447 VanDerWaalsContact N-O 3.07Å; N356-I447 PolarHBondContact O-N 3.14Å; G426-I447 VanDerWaalsContact CA-CG2 3.47Å; T429-I447 HydrophobicContact CG2-CD1 4.12Å; P443-I447 HydrophobicContact CB-CD1 3.67Å; P443-I447 HydrophobicContact CG-CD1 3.84Å
448V98.9Very high98.4Very high0 Ų031.3 Ų31.30%017%0.17CC..EExtended strand (participates in β ladder)trans-98.3126.6174.9-175.40000109.7I353 V354 L355 V405 M408 I409 I423 S424 G426 T450 Q453I353-V448 HydrophobicContact CG2-CG1 4.35Å; V354-V448 WeakPolarHBondContact O-CA 3.49Å; L355-V448 HydrophobicContact CD2-CG2 4.38Å; L355-V448 HydrophobicContact CG-CG2 4.25Å; V405-V448 HydrophobicContact CG1-CB 4.37Å; V405-V448 HydrophobicContact CG1-CG1 3.74Å; V405-V448 HydrophobicContact CG1-CG2 3.77Å; M408-V448 HydrophobicContact CE-CB 4.13Å; M408-V448 HydrophobicContact CE-CG2 3.97Å; I409-V448 HydrophobicContact CD1-CB 4.22Å; I409-V448 HydrophobicContact CD1-CG1 3.97Å; I409-V448 HydrophobicContact CG1-CG1 4.07Å; I423-V448 HydrophobicContact CG2-CG2 3.37Å; S424-V448 PolarHBondContact O-N 3.14Å; G426-V448 WeakPolarHBondContact CA-O 3.39Å; G426-V448 PolarHBondContact N-O 3.34Å; V448-T450 HydrophobicContact CG1-CG2 3.96Å; V448-Q453 PolarHBondContact O-NE2 2.99Å
449T98.9Very high98.3Very high0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-126.2124.8180-45.60000109.1V354 Y454 R532 R533 L536V354-T449 PolarHBondContact N-O 3.28Å; V354-T449 PolarHBondContact O-N 3.24Å; T449-Y454 HydrophobicContact CG2-CE2 4.35Å; T449-R532 HydrophobicContact CG2-CG 4.36Å; T449-R532 VanDerWaalsContact OG1-CD 3.28Å; T449-R532 WeakPolarHBondContact OG1-CD 3.29Å; T449-R532 WeakPolarHBondContact OG1-CG 3.45Å; T449-R532 PolarHBondContact OG1-NH1 3.33Å; T449-R533 HydrophobicContact CG2-CB 4.38Å; T449-L536 HydrophobicContact CG2-CD1 3.88Å; T449-L536 HydrophobicContact CG2-CD2 4.1Å; T449-L536 HydrophobicContact CG2-CG 3.97Å
450T98.8Very high98.3Very high3 Ų334.8 Ų34.82%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-131.1154.2-174.675.30000112.2R352 I353 I409 V448 S452 Q453 Y454 L536R352-T450 CarbonylContact O-C 3.52Å; R352-T450 VanDerWaalsContact O-CA 3.26Å; R352-T450 WeakPolarHBondContact O-CA 3.41Å; I353-T450 HydrophobicContact CB-CG2 4.38Å; I353-T450 HydrophobicContact CG1-CG2 4.13Å; I353-T450 HydrophobicContact CG2-CG2 4.02Å; I409-T450 HydrophobicContact CD1-CG2 4.45Å; I409-T450 HydrophobicContact CG1-CG2 4.01Å; I409-T450 HydrophobicContact CG2-CG2 4.25Å; V448-T450 HydrophobicContact CG1-CG2 3.96Å; T450-S452 VanDerWaalsContact C-N 3.31Å; T450-S452 PolarHBondContact OG1-OG 3.03Å; T450-Q453 WeakPolarHBondContact O-CB 3.27Å; T450-Q453 PolarHBondContact O-N 3.01Å; T450-Q453 WeakPolarHBondContact OG1-CG 3.4Å; T450-Q453 PolarHBondContact OG1-N 3.34Å; T450-Y454 WeakPolarHBondContact O-CD2 3.28Å; T450-L536 WeakPolarHBondContact O-CD1 3.45Å
451R98.7Very high98.3Very high0 Ų034 Ų340%018%0.184CC..SBendtrans-61.9-39.6170.4-80-169.1175.6-162.1-2.6112.6N351 R352 Q453 Y454 G455 L456 P457 E458 A460 L536 D538N351-R451 PolarHBondContact ND2-NH2 3.12Å; N351-R451 PolarHBondContact O-NE 2.99Å; R352-R451 VanDerWaalsContact NH1-NH2 3.2Å; R352-R451 VanDerWaalsContact NH2-NH1 3.12Å; R352-R451 PolarHBondContact O-N 2.91Å; R451-Q453 VanDerWaalsContact C-N 3.26Å; R451-Q453 PolarHBondContact O-N 3.48Å; R451-Y454 PolarHBondContact O-N 3.03Å; R451-G455 PolarHBondContact O-N 3.21Å; R451-L456 HydrophobicContact CB-CB 3.81Å; R451-L456 HydrophobicContact CG-CB 3.96Å; R451-L456 HydrophobicContact CG-CD1 4.25Å; R451-L456 PolarHBondContact O-N 2.71Å; R451-P457 VanDerWaalsContact CD-O 3.29Å; R451-P457 WeakPolarHBondContact CD-O 3.12Å; R451-P457 PolarHBondContact NH1-O 3.13Å; R451-E458 WeakPolarHBondContact CB-OE1 3.45Å; R451-A460 PolarHBondContact NH1-O 3.09Å; R451-L536 HydrophobicContact CG-CB 4.27Å; R451-L536 HydrophobicContact CG-CD2 4.41Å; R451-L536 PolarHBondContact NE-O 3.3Å; R451-L536 VanDerWaalsContact NE-O 3.15Å; R451-L536 PolarHBondContact NH2-O 3.44Å; R451-D538 IonicContact CZ-OD2 3.78Å; R451-D538 IonicContact NH2-OD1 3.07Å; R451-D538 IonicContact NH2-OD2 3.21Å; R451-D538 PolarHBondContact NH2-OD2 2.84Å
452S98.3Very high98.3Very high58 Ų5830.9 Ų30.941%0.40617%0.17SC..G310 helixtrans-56.3-33.5176.962.70000114.4T450 Y454 G455 E458T450-S452 VanDerWaalsContact C-N 3.31Å; T450-S452 PolarHBondContact OG1-OG 3.03Å; S452-Y454 PolarHBondContact O-N 2.94Å; S452-G455 PolarHBondContact O-N 3.44Å; S452-E458 PolarHBondContact N-OE1 3.39Å
453Q98.6Very high98.4Very high28 Ų2828.6 Ų28.613%0.13116%0.156CC..G310 helixtrans-58.1-28.8175.7-79.1167.1-28.400113.4I409 N425 L427 V448 T450 R451I409-Q453 HydrophobicContact CG2-CG 4.03Å; N425-Q453 PolarHBondContact OD1-NE2 2.65Å; L427-Q453 HydrophobicContact CD1-CB 3.78Å; L427-Q453 HydrophobicContact CD1-CG 3.77Å; L427-Q453 HydrophobicContact CD2-CB 4.26Å; L427-Q453 HydrophobicContact CG-CB 3.97Å; L427-Q453 HydrophobicContact CG-CG 3.86Å; V448-Q453 PolarHBondContact O-NE2 2.99Å; T450-Q453 WeakPolarHBondContact O-CB 3.27Å; T450-Q453 PolarHBondContact O-N 3.01Å; T450-Q453 WeakPolarHBondContact OG1-CG 3.4Å; T450-Q453 PolarHBondContact OG1-N 3.34Å; R451-Q453 VanDerWaalsContact C-N 3.26Å; R451-Q453 PolarHBondContact O-N 3.48Å
454Y98.7Very high98.4Very high17 Ų1728.3 Ų28.37%0.06715%0.154CC..G310 helixtrans-1139.3-175.7-57.1-75.2000112.8L427 T449 T450 R451 S452 L456 W493 E529 R533 L536L427-Y454 HydrophobicContact CD2-CE1 3.71Å; T449-Y454 HydrophobicContact CG2-CE2 4.35Å; T450-Y454 WeakPolarHBondContact O-CD2 3.28Å; R451-Y454 PolarHBondContact O-N 3.03Å; S452-Y454 PolarHBondContact O-N 2.94Å; Y454-L456 PolarHBondContact O-N 3.23Å; Y454-W493 HydrophobicContact CD1-CZ2 4.03Å; Y454-W493 HydrophobicContact CD2-CH2 4.14Å; Y454-W493 HydrophobicContact CD2-CZ2 4.14Å; Y454-W493 HydrophobicContact CG-CH2 4.22Å; Y454-W493 AromaticContact CG-CZ2 3.75Å; Y454-W493 HydrophobicContact CG-CZ2 3.75Å; Y454-E529 WeakPolarHBondContact CE1-OE1 3.38Å; Y454-E529 VanDerWaalsContact OH-CD 3.31Å; Y454-E529 VanDerWaalsContact OH-CG 3.27Å; Y454-E529 WeakPolarHBondContact OH-CG 3.3Å; Y454-E529 PolarHBondContact OH-OE1 3.25Å; Y454-R533 HydrophobicContact CE2-CB 3.83Å; Y454-L536 HydrophobicContact CD2-CD1 3.48Å; Y454-L536 VanDerWaalsContact CD2-CD1 3.48Å; Y454-L536 HydrophobicContact CE2-CD1 3.65Å
455G98.3Very high98.4Very high56 Ų5619.1 Ų19.158%0.57712%0.119SC*.THydrogen-bonded Turntrans65.823.5-176.900000113.7R451 S452 I520R451-G455 PolarHBondContact O-N 3.21Å; S452-G455 PolarHBondContact O-N 3.44Å; G455-I520 WeakPolarHBondContact O-CD1 3.48Å
456L98.7Very high98.5Very high7 Ų718 Ų184%0.03711%0.113CC..  trans-80.8144.4179.8-63.1170.9000110.8R451 Y454 V462 W493 I520 L536R451-L456 HydrophobicContact CB-CB 3.81Å; R451-L456 HydrophobicContact CG-CB 3.96Å; R451-L456 HydrophobicContact CG-CD1 4.25Å; R451-L456 PolarHBondContact O-N 2.71Å; Y454-L456 PolarHBondContact O-N 3.23Å; L456-V462 HydrophobicContact CB-CG2 4.47Å; L456-V462 HydrophobicContact CD1-CG1 4.43Å; L456-V462 HydrophobicContact CD2-CG1 4.18Å; L456-V462 HydrophobicContact CD2-CG2 4.41Å; L456-W493 HydrophobicContact CD1-CD2 3.91Å; L456-W493 HydrophobicContact CD1-CE3 3.65Å; L456-W493 HydrophobicContact CD1-CH2 3.84Å; L456-W493 HydrophobicContact CD1-CZ2 4.09Å; L456-W493 HydrophobicContact CD1-CZ3 3.62Å; L456-W493 HydrophobicContact CD2-CB 4.15Å; L456-W493 HydrophobicContact CD2-CD2 3.92Å; L456-W493 HydrophobicContact CD2-CE3 4.32Å; L456-W493 HydrophobicContact CD2-CG 3.84Å; L456-W493 HydrophobicContact CG-CD2 4.46Å; L456-I520 HydrophobicContact CD2-CB 4.33Å; L456-I520 HydrophobicContact CD2-CD1 3.98Å; L456-I520 HydrophobicContact CD2-CG2 4.12Å; L456-L536 HydrophobicContact CD1-CB 4.36Å; L456-L536 HydrophobicContact CD1-CD1 4.4Å
457P98.2Very high98.5Very high31 Ų3118.1 Ų18.120%0.20111%0.113CC..  trans-67.8134.917828.1-36.4000112.1R451 D459 A460 V491R451-P457 VanDerWaalsContact CD-O 3.29Å; R451-P457 WeakPolarHBondContact CD-O 3.12Å; R451-P457 PolarHBondContact NH1-O 3.13Å; P457-D459 VanDerWaalsContact C-N 3.34Å; P457-A460 HydrophobicContact CB-CB 3.78Å; P457-A460 HydrophobicContact CG-CB 3.56Å; P457-V491 HydrophobicContact CG-CB 4.48Å; P457-V491 HydrophobicContact CG-CG1 3.9Å; P457-V491 HydrophobicContact CG-CG2 3.71Å
458E96.9Very high98.4Very high49 Ų4922.2 Ų22.223%0.22913%0.132CC..SBendtrans-72.8-28.2-179.9-64.3-60.6158.300112.6F342 R352 R451 S452F342-E458 HydrophobicContact CE2-CB 4.43Å; F342-E458 HydrophobicContact CZ-CB 4.09Å; F342-E458 HydrophobicContact CZ-CG 4.5Å; R352-E458 VanDerWaalsContact CG-OE2 3.27Å; R352-E458 WeakPolarHBondContact CG-OE2 3.41Å; R352-E458 PolarHBondContact NE-O 2.87Å; R352-E458 PolarHBondContact NH2-O 2.73Å; R451-E458 WeakPolarHBondContact CB-OE1 3.45Å; S452-E458 PolarHBondContact N-OE1 3.39Å
459D96.1Very high98.4Very high99 Ų9922.3 Ų22.353%0.52913%0.132SC..SBendtrans-112.611.7-170.664.3-31.1000114.5P457 N489P457-D459 VanDerWaalsContact C-N 3.34Å; D459-N489 PolarHBondContact O-ND2 3.02Å
460A97.9Very high98.4Very high4 Ų423.7 Ų23.73%0.03314%0.138CC..SBendtrans-118.5165.417900000113.4R352 R451 P457 N489R352-A460 PolarHBondContact NH2-O 2.97Å; R451-A460 PolarHBondContact NH1-O 3.09Å; P457-A460 HydrophobicContact CB-CB 3.78Å; P457-A460 HydrophobicContact CG-CB 3.56Å; A460-N489 WeakPolarHBondContact CA-O 3.49Å; A460-N489 WeakPolarHBondContact CB-O 3.42Å; A460-N489 WeakPolarHBondContact CB-OD1 3.37Å
461I98.8Very high98.4Very high14 Ų1424.3 Ų24.37%0.07214%0.14CC..EExtended strand (participates in β ladder)trans-74.4134.2167.8-65.9-64.8000109.9Y463 N489 S490 V491 D538 G603 L606 L609I461-Y463 HydrophobicContact CG2-CD2 4.04Å; I461-Y463 HydrophobicContact CG2-CE1 4.29Å; I461-Y463 HydrophobicContact CG2-CE2 3.69Å; I461-Y463 HydrophobicContact CG2-CG 4.5Å; I461-N489 PolarHBondContact N-O 3.37Å; I461-S490 CarbonylContact O-C 3.55Å; I461-S490 WeakPolarHBondContact O-CA 3.26Å; I461-S490 WeakPolarHBondContact O-CB 3.33Å; I461-V491 PolarHBondContact O-N 2.96Å; I461-D538 WeakPolarHBondContact CA-OD2 3.46Å; I461-D538 HydrophobicContact CD1-CB 4.25Å; I461-D538 HydrophobicContact CG2-CB 4.12Å; I461-G603 WeakPolarHBondContact CG1-O 3.41Å; I461-L606 HydrophobicContact CD1-CD2 4Å; I461-L609 HydrophobicContact CD1-CD2 3.82Å
462V99Very high98.4Very high0 Ų024.4 Ų24.40%014%0.141CC..EExtended strand (participates in β ladder)trans-109.9104.3175177.40000108.5L456 V491 W493 A537 D538 V539L456-V462 HydrophobicContact CB-CG2 4.47Å; L456-V462 HydrophobicContact CD1-CG1 4.43Å; L456-V462 HydrophobicContact CD2-CG1 4.18Å; L456-V462 HydrophobicContact CD2-CG2 4.41Å; V462-V491 HydrophobicContact CB-CG2 4.38Å; V462-V491 HydrophobicContact CG1-CG2 4.48Å; V462-V491 HydrophobicContact CG2-CG2 3.81Å; V462-W493 HydrophobicContact CG1-CB 3.92Å; V462-W493 HydrophobicContact CG1-CE3 3.95Å; V462-A537 HydrophobicContact CG1-CB 4.28Å; V462-D538 PolarHBondContact N-OD2 2.89Å; V462-D538 PolarHBondContact O-N 3.24Å; V462-V539 PolarHBondContact O-N 3.45Å
463Y99Very high98.5Very high0 Ų022.4 Ų22.40%013%0.126CC..EExtended strand (participates in β ladder)trans-78.8137.3162.1-64.7-74000108.7I461 I483 L484 V487 V491 L492 W493 V539 L541 A599 G603I461-Y463 HydrophobicContact CG2-CD2 4.04Å; I461-Y463 HydrophobicContact CG2-CE1 4.29Å; I461-Y463 HydrophobicContact CG2-CE2 3.69Å; I461-Y463 HydrophobicContact CG2-CG 4.5Å; Y463-I483 HydrophobicContact CD2-CG2 4.42Å; Y463-I483 HydrophobicContact CE1-CG2 4.23Å; Y463-I483 HydrophobicContact CE2-CG2 3.84Å; Y463-L484 HydrophobicContact CD2-CD2 4.1Å; Y463-V487 HydrophobicContact CE2-CB 4.47Å; Y463-V487 WeakPolarHBondContact OH-CG2 3.44Å; Y463-V491 PolarHBondContact N-O 3.1Å; Y463-L492 CarbonylContact O-C 3.51Å; Y463-L492 WeakPolarHBondContact O-CA 3.43Å; Y463-W493 PolarHBondContact O-N 3.1Å; Y463-V539 CarbonylContact C-O 3.43Å; Y463-V539 WeakPolarHBondContact CA-O 3.42Å; Y463-V539 HydrophobicContact CD1-CB 3.76Å; Y463-V539 HydrophobicContact CD1-CG1 4.07Å; Y463-V539 HydrophobicContact CE1-CB 3.95Å; Y463-V539 HydrophobicContact CE1-CG1 4.19Å; Y463-V539 HydrophobicContact CE1-CG2 4.26Å; Y463-L541 HydrophobicContact CD1-CD1 3.83Å; Y463-L541 HydrophobicContact CD1-CD2 3.8Å; Y463-L541 HydrophobicContact CD1-CG 3.72Å; Y463-L541 HydrophobicContact CE1-CD2 4.25Å; Y463-L541 HydrophobicContact CG-CD1 3.85Å; Y463-L541 HydrophobicContact CG-CG 4.13Å; Y463-A599 HydrophobicContact CE1-CB 4.32Å; Y463-A599 PolarHBondContact OH-O 3.49Å; Y463-G603 VanDerWaalsContact OH-CA 3.28Å; Y463-G603 WeakPolarHBondContact OH-CA 3.29Å; Y463-G603 PolarHBondContact OH-N 3.34Å
464C98.9Very high98.5Very high0 Ų022.8 Ų22.80%013%0.13CC..EExtended strand (participates in β ladder)trans-125.4155.6175.571.20000113F466 W493 A537 V539 C540 L541C464-F466 HydrophobicContact CB-CD1 4.35Å; C464-F466 HydrophobicContact CB-CE1 3.73Å; C464-F466 HydrophobicContact CB-CE2 4.41Å; C464-F466 HydrophobicContact CB-CZ 3.76Å; C464-W493 WeakPolarHBondContact CA-O 3.2Å; C464-W493 HydrophobicContact CB-CB 4.13Å; C464-W493 HydrophobicContact CB-CE3 4.19Å; C464-A537 HydrophobicContact CB-CB 3.87Å; C464-A537 WeakPolarHBondContact SG-CB 3.42Å; C464-V539 PolarHBondContact N-O 3.48Å; C464-C540 CarbonylContact O-C 3.6Å; C464-C540 VanDerWaalsContact O-CA 3.31Å; C464-C540 WeakPolarHBondContact O-CA 3.48Å; C464-L541 PolarHBondContact O-N 3.23Å
465N98.9Very high98.5Very high2 Ų224.8 Ų24.81%0.01115%0.147CC..  trans-145.3124.7158.1-174.3-58.2000108.1N467 W480 W493 L494 L541N465-N467 PolarHBondContact ND2-ND2 3.28Å; N465-N467 VanDerWaalsContact OD1-CB 3.24Å; N465-N467 WeakPolarHBondContact OD1-CB 3.41Å; N465-N467 PolarHBondContact OD1-N 2.79Å; N465-N467 PolarHBondContact OD1-ND2 3.27Å; N465-W480 HydrophobicContact CB-CH2 3.75Å; N465-W480 HydrophobicContact CB-CZ2 4.21Å; N465-W480 HydrophobicContact CB-CZ3 4.47Å; N465-W493 PolarHBondContact N-O 3Å; N465-L494 HydrophobicContact CB-CD2 3.86Å; N465-L541 WeakPolarHBondContact CB-O 3.48Å; N465-L541 PolarHBondContact ND2-O 3.09Å
466F98.8Very high98.5Very high5 Ų522.2 Ų22.22%0.02212%0.12CC..  trans-109.517.1-174.8-59.3-32.3000114.3C464 W493 L495 T551C464-F466 HydrophobicContact CB-CD1 4.35Å; C464-F466 HydrophobicContact CB-CE1 3.73Å; C464-F466 HydrophobicContact CB-CE2 4.41Å; C464-F466 HydrophobicContact CB-CZ 3.76Å; F466-W493 AromaticContact CE1-CD2 3.63Å; F466-W493 HydrophobicContact CE1-CD2 3.63Å; F466-W493 AromaticContact CE1-CE2 3.91Å; F466-W493 AromaticContact CE1-CE3 3.73Å; F466-W493 HydrophobicContact CE1-CE3 3.73Å; F466-W493 HydrophobicContact CE1-CG 4.1Å; F466-W493 HydrophobicContact CE1-CH2 4.4Å; F466-W493 HydrophobicContact CE1-CZ2 4.3Å; F466-W493 HydrophobicContact CE1-CZ3 4.12Å; F466-W493 AromaticContact CZ-CD2 3.91Å; F466-W493 HydrophobicContact CZ-CD2 3.91Å; F466-W493 AromaticContact CZ-CE3 3.51Å; F466-W493 HydrophobicContact CZ-CE3 3.51Å; F466-W493 AromaticContact CZ-CH2 3.93Å; F466-W493 HydrophobicContact CZ-CH2 3.93Å; F466-W493 HydrophobicContact CZ-CZ2 4.28Å; F466-W493 AromaticContact CZ-CZ3 3.53Å; F466-W493 HydrophobicContact CZ-CZ3 3.53Å; F466-L495 HydrophobicContact CB-CD1 3.83Å; F466-L495 HydrophobicContact CB-CG 4.24Å; F466-L495 HydrophobicContact CD1-CD1 4.23Å; F466-L495 HydrophobicContact CD1-CD2 3.69Å; F466-L495 HydrophobicContact CD1-CG 3.87Å; F466-L495 HydrophobicContact CE1-CD2 4.14Å; F466-L495 HydrophobicContact CG-CD1 4.31Å; F466-L495 HydrophobicContact CG-CG 4.42Å; F466-T551 HydrophobicContact CB-CG2 3.83Å
467N98.6Very high98.5Very high5 Ų521.9 Ų21.93%0.02712%0.118CC..SBendtrans-71.8166174.3-72.1-77.8000111.5N465 K471 G548N465-N467 PolarHBondContact ND2-ND2 3.28Å; N465-N467 VanDerWaalsContact OD1-CB 3.24Å; N465-N467 WeakPolarHBondContact OD1-CB 3.41Å; N465-N467 PolarHBondContact OD1-N 2.79Å; N465-N467 PolarHBondContact OD1-ND2 3.27Å; N467-K471 HydrophobicContact CB-CB 4.46Å; N467-K471 HydrophobicContact CB-CD 3.93Å; N467-K471 HydrophobicContact CB-CG 4.45Å; N467-K471 PolarHBondContact OD1-NZ 3.13Å; N467-G548 VanDerWaalsContact OD1-CA 3.25Å; N467-G548 WeakPolarHBondContact OD1-CA 3.21Å
468Q98.4Very high98.5Very high88 Ų8824 Ų2441%0.41113%0.125SC..  trans-60.7141.3159.5-67.4-179.446.300109.8Y470 K471 F497Q468-Y470 HydrophobicContact CB-CD1 3.43Å; Q468-Y470 VanDerWaalsContact CB-CD1 3.43Å; Q468-Y470 HydrophobicContact CB-CE1 3.54Å; Q468-Y470 HydrophobicContact CG-CD1 4.37Å; Q468-Y470 HydrophobicContact CG-CE1 4.18Å; Q468-Y470 PolarHBondContact O-N 3.3Å; Q468-Y470 VanDerWaalsContact O-N 3.12Å; Q468-K471 PolarHBondContact O-N 3.11Å; Q468-F497 HydrophobicContact CB-CD2 4.19Å; Q468-F497 HydrophobicContact CB-CE2 4.46Å; Q468-F497 HydrophobicContact CB-CG 4.34Å; Q468-F497 HydrophobicContact CG-CD1 3.89Å; Q468-F497 HydrophobicContact CG-CD2 3.44Å; Q468-F497 VanDerWaalsContact CG-CD2 3.44Å; Q468-F497 HydrophobicContact CG-CE1 3.78Å; Q468-F497 HydrophobicContact CG-CE2 3.31Å; Q468-F497 HydrophobicContact CG-CG 3.75Å; Q468-F497 HydrophobicContact CG-CZ 3.5Å
469L98.8Very high98.6Very high2 Ų221.9 Ų21.91%0.0112%0.116CC..G310 helixtrans-64.3-21.8-171.7-62.7179.4000113.2C96 K471 I472 F497 F521C96-L469 PolarHBondContact SG-O 2.97Å; L469-K471 PolarHBondContact O-N 3.35Å; L469-I472 HydrophobicContact CD2-CD1 3.74Å; L469-I472 WeakPolarHBondContact O-CB 3.48Å; L469-I472 PolarHBondContact O-N 3.04Å; L469-F497 WeakPolarHBondContact CG-O 3.41Å; L469-F497 PolarHBondContact N-O 2.79Å; L469-F521 HydrophobicContact CD1-CE1 4.5Å; L469-F521 HydrophobicContact CD2-CE1 4.46Å
470Y98.5Very high98.7Very high29 Ų2917.2 Ų17.211%0.1149%0.091CC..G310 helixtrans-58.5-18.8176.783-103.1000114Q93 M130 L131 Q468 I472Q93-Y470 PolarHBondContact NE2-O 3.35Å; Q93-Y470 WeakPolarHBondContact O-CA 3.49Å; M130-Y470 HydrophobicContact CE-CE2 4.48Å; L131-Y470 HydrophobicContact CD1-CD2 3.68Å; L131-Y470 HydrophobicContact CD1-CE2 4.07Å; L131-Y470 HydrophobicContact CD2-CD2 3.92Å; L131-Y470 HydrophobicContact CD2-CE2 3.91Å; L131-Y470 HydrophobicContact CG-CD2 4.47Å; Q468-Y470 HydrophobicContact CB-CD1 3.43Å; Q468-Y470 VanDerWaalsContact CB-CD1 3.43Å; Q468-Y470 HydrophobicContact CB-CE1 3.54Å; Q468-Y470 HydrophobicContact CG-CD1 4.37Å; Q468-Y470 HydrophobicContact CG-CE1 4.18Å; Q468-Y470 PolarHBondContact O-N 3.3Å; Q468-Y470 VanDerWaalsContact O-N 3.12Å; Y470-I472 VanDerWaalsContact C-N 3.28Å
471K98.8Very high98.8Very high16 Ų1617 Ų177%0.079%0.089CC..G310 helixtrans-80.9-8.8176.9-57.9-165.8-172.2178.80113.4N467 Q468 L469 T543 C546 N547N467-K471 HydrophobicContact CB-CB 4.46Å; N467-K471 HydrophobicContact CB-CD 3.93Å; N467-K471 HydrophobicContact CB-CG 4.45Å; N467-K471 PolarHBondContact OD1-NZ 3.13Å; Q468-K471 PolarHBondContact O-N 3.11Å; L469-K471 PolarHBondContact O-N 3.35Å; K471-T543 HydrophobicContact CB-CG2 4Å; K471-T543 WeakPolarHBondContact O-CB 3.49Å; K471-T543 WeakPolarHBondContact O-CG2 3.49Å; K471-C546 HydrophobicContact CB-CB 4.46Å; K471-C546 HydrophobicContact CD-CB 4.08Å; K471-C546 VanDerWaalsContact CD-O 3.29Å; K471-C546 WeakPolarHBondContact CD-O 3.22Å; K471-C546 HydrophobicContact CG-CB 4.16Å; K471-N547 PolarHBondContact NZ-O 2.9Å
472I98.9Very high98.8Very high2 Ų218.6 Ų18.61%0.0110%0.098CC..  trans-92.2130176.3-51.2169.5000108.3Q93 W98 L469 Y470 T476 L477 W480 L494 I505 T543Q93-I472 PolarHBondContact NE2-O 3.11Å; W98-I472 HydrophobicContact CH2-CG2 3.92Å; W98-I472 HydrophobicContact CZ2-CB 4.33Å; W98-I472 HydrophobicContact CZ2-CG2 3.87Å; L469-I472 HydrophobicContact CD2-CD1 3.74Å; L469-I472 WeakPolarHBondContact O-CB 3.48Å; L469-I472 PolarHBondContact O-N 3.04Å; Y470-I472 VanDerWaalsContact C-N 3.28Å; I472-T476 HydrophobicContact CG2-CG2 4.29Å; I472-L477 HydrophobicContact CG2-CB 4.32Å; I472-W480 HydrophobicContact CD1-CH2 4.01Å; I472-W480 HydrophobicContact CD1-CZ3 3.75Å; I472-W480 HydrophobicContact CG1-CH2 3.9Å; I472-W480 HydrophobicContact CG1-CZ3 4.04Å; I472-W480 HydrophobicContact CG2-CZ3 4.3Å; I472-L494 HydrophobicContact CD1-CD1 4.45Å; I472-I505 HydrophobicContact CD1-CD1 4.49Å; I472-I505 HydrophobicContact CG2-CD1 4.4Å; I472-T543 HydrophobicContact CG1-CG2 3.91Å
473D98.8Very high98.8Very high17 Ų1718.6 Ų18.69%0.09110%0.098CC..  trans-115.8171.4169.976-31.3000110.4S475 T476 L477 L545D473-S475 VanDerWaalsContact CG-OG 3.27Å; D473-S475 PolarHBondContact O-N 2.84Å; D473-S475 PolarHBondContact OD1-OG 2.79Å; D473-S475 VanDerWaalsContact OD1-OG 3.13Å; D473-S475 PolarHBondContact OD2-OG 3Å; D473-T476 PolarHBondContact O-N 2.95Å; D473-T476 WeakPolarHBondContact OD1-CB 3.49Å; D473-T476 PolarHBondContact OD1-N 2.91Å; D473-T476 PolarHBondContact OD1-OG1 3.5Å; D473-L477 PolarHBondContact O-N 2.88Å; D473-L477 VanDerWaalsContact O-N 3.14Å; D473-L545 HydrophobicContact CB-CD2 4.04Å
474P98.8Very high98.8Very high35 Ų3518.6 Ų18.623%0.22710%0.098CC..Hα-helixtrans-54.9-37.8179.2-27.635.3000113.4W98 Y101 L477 Q478W98-P474 HydrophobicContact CB-CG 3.86Å; W98-P474 HydrophobicContact CD2-CB 4.49Å; W98-P474 HydrophobicContact CD2-CG 3.69Å; W98-P474 HydrophobicContact CE3-CB 4.3Å; W98-P474 HydrophobicContact CE3-CG 3.96Å; W98-P474 HydrophobicContact CG-CG 3.66Å; Y101-P474 HydrophobicContact CD1-CG 3.92Å; Y101-P474 HydrophobicContact CD2-CG 4.15Å; Y101-P474 HydrophobicContact CE1-CG 4.24Å; Y101-P474 HydrophobicContact CE2-CG 4.46Å; Y101-P474 HydrophobicContact CG-CG 3.87Å; P474-L477 PolarHBondContact O-N 3.02Å; P474-Q478 WeakPolarHBondContact O-CB 3.36Å; P474-Q478 PolarHBondContact O-N 3.3Å
475S98.6Very high98.8Very high59 Ų5923.6 Ų23.641%0.41312%0.12SC..Hα-helixtrans-67.8-39-178.279.90000112.3D473 Q478 M479D473-S475 VanDerWaalsContact CG-OG 3.27Å; D473-S475 PolarHBondContact O-N 2.84Å; D473-S475 PolarHBondContact OD1-OG 2.79Å; D473-S475 VanDerWaalsContact OD1-OG 3.13Å; D473-S475 PolarHBondContact OD2-OG 3Å; S475-Q478 PolarHBondContact O-N 3.17Å; S475-M479 PolarHBondContact O-N 3.37Å; S475-M479 VanDerWaalsContact O-N 3.09Å
476T98.9Very high98.8Very high2 Ų228.3 Ų28.31%0.01214%0.137CC..Hα-helixtrans-64.2-47.7174.6-60.70000111.3I472 D473 Q478 M479 W480 T543I472-T476 HydrophobicContact CG2-CG2 4.29Å; D473-T476 PolarHBondContact O-N 2.95Å; D473-T476 WeakPolarHBondContact OD1-CB 3.49Å; D473-T476 PolarHBondContact OD1-N 2.91Å; D473-T476 PolarHBondContact OD1-OG1 3.5Å; T476-Q478 VanDerWaalsContact C-N 3.3Å; T476-Q478 PolarHBondContact O-N 3.41Å; T476-M479 WeakPolarHBondContact O-CB 3.31Å; T476-M479 PolarHBondContact O-N 3.46Å; T476-W480 HydrophobicContact CG2-CD2 3.94Å; T476-W480 HydrophobicContact CG2-CE3 4.38Å; T476-W480 HydrophobicContact CG2-CH2 3.93Å; T476-W480 HydrophobicContact CG2-CZ2 3.39Å; T476-W480 HydrophobicContact CG2-CZ3 4.38Å; T476-W480 PolarHBondContact O-N 3.01Å; T476-T543 HydrophobicContact CG2-CG2 4.27Å
477L98.9Very high98.8Very high1 Ų128.2 Ų28.21%0.00514%0.137CC..Hα-helixtrans-65-36.8179.7-171.866.8000111.7W98 I472 D473 P474 M479 W480 A481 I505 M512W98-L477 HydrophobicContact CH2-CB 3.81Å; W98-L477 HydrophobicContact CH2-CD2 3.8Å; W98-L477 HydrophobicContact CH2-CG 4.4Å; W98-L477 HydrophobicContact CZ3-CB 4.05Å; W98-L477 HydrophobicContact CZ3-CD2 3.58Å; W98-L477 HydrophobicContact CZ3-CG 4.45Å; I472-L477 HydrophobicContact CG2-CB 4.32Å; D473-L477 PolarHBondContact O-N 2.88Å; D473-L477 VanDerWaalsContact O-N 3.14Å; P474-L477 PolarHBondContact O-N 3.02Å; L477-M479 VanDerWaalsContact C-N 3.35Å; L477-M479 PolarHBondContact O-N 2.93Å; L477-W480 HydrophobicContact CD1-CE3 4.23Å; L477-W480 PolarHBondContact O-N 3.39Å; L477-A481 WeakPolarHBondContact O-CB 3.38Å; L477-A481 PolarHBondContact O-N 3.21Å; L477-I505 HydrophobicContact CD1-CG2 4.29Å; L477-I505 HydrophobicContact CD2-CD1 4.4Å; L477-I505 HydrophobicContact CD2-CG2 4.43Å; L477-M512 HydrophobicContact CB-CE 4.26Å; L477-M512 HydrophobicContact CB-SD 4.46Å; L477-M512 HydrophobicContact CD2-CE 4.27Å; L477-M512 HydrophobicContact CD2-SD 4.18Å; L477-M512 HydrophobicContact CG-CE 4.29Å; L477-M512 HydrophobicContact CG-SD 3.98Å
478Q98.9Very high98.7Very high74 Ų7433 Ų3335%0.34617%0.169SC..Hα-helixtrans-60.2-45174.5-177.160.666.200111.8P474 S475 T476 W480 A481 N482 M512P474-Q478 WeakPolarHBondContact O-CB 3.36Å; P474-Q478 PolarHBondContact O-N 3.3Å; S475-Q478 PolarHBondContact O-N 3.17Å; T476-Q478 VanDerWaalsContact C-N 3.3Å; T476-Q478 PolarHBondContact O-N 3.41Å; Q478-W480 VanDerWaalsContact C-N 3.35Å; Q478-W480 PolarHBondContact O-N 3.33Å; Q478-A481 PolarHBondContact O-N 2.87Å; Q478-N482 PolarHBondContact NE2-OD1 2.8Å; Q478-N482 PolarHBondContact O-N 3.46Å; Q478-N482 PolarHBondContact O-OD1 3.37Å; Q478-M512 HydrophobicContact CB-CE 4.02Å; Q478-M512 HydrophobicContact CB-SD 4.41Å
479M98.9Very high98.7Very high5 Ų533.2 Ų33.23%0.02517%0.173CC..Hα-helixtrans-61.2-44.1177.2-167.6173.457.500111.2S475 T476 L477 A481 N482 I483 P544 R592 Y595 E596S475-M479 PolarHBondContact O-N 3.37Å; S475-M479 VanDerWaalsContact O-N 3.09Å; T476-M479 WeakPolarHBondContact O-CB 3.31Å; T476-M479 PolarHBondContact O-N 3.46Å; L477-M479 VanDerWaalsContact C-N 3.35Å; L477-M479 PolarHBondContact O-N 2.93Å; M479-A481 VanDerWaalsContact C-N 3.34Å; M479-A481 PolarHBondContact O-N 3.21Å; M479-N482 WeakPolarHBondContact O-CB 3.33Å; M479-N482 PolarHBondContact O-N 3.15Å; M479-I483 WeakPolarHBondContact O-CG1 3.27Å; M479-I483 PolarHBondContact O-N 3.48Å; M479-I483 VanDerWaalsContact O-N 3.09Å; M479-P544 HydrophobicContact CE-CG 3.82Å; M479-R592 HydrophobicContact SD-CB 4.07Å; M479-R592 HydrophobicContact SD-CG 4.07Å; M479-Y595 HydrophobicContact CE-CD1 3.33Å; M479-Y595 HydrophobicContact CE-CD2 4.1Å; M479-Y595 HydrophobicContact CE-CE1 3.31Å; M479-Y595 HydrophobicContact CE-CE2 4.04Å; M479-Y595 HydrophobicContact CE-CG 3.75Å; M479-Y595 HydrophobicContact CG-CD1 3.78Å; M479-Y595 HydrophobicContact CG-CE1 4.25Å; M479-Y595 HydrophobicContact SD-CD1 3.26Å; M479-Y595 WeakPolarHBondContact SD-CD1 3.23Å; M479-Y595 HydrophobicContact SD-CD2 4.41Å; M479-Y595 HydrophobicContact SD-CE1 3.9Å; M479-Y595 HydrophobicContact SD-CG 3.57Å; M479-Y595 VanDerWaalsContact SD-CG 3.57Å; M479-E596 HydrophobicContact CG-CG 3.47Å; M479-E596 VanDerWaalsContact CG-CG 3.47Å
480W98.9Very high98.8Very high1 Ų133.2 Ų33.20%0.00417%0.173CC..Hα-helixtrans-65.7-36.6175.8-62.3-7.7000112.4N465 I472 T476 L477 Q478 N482 I483 L484 L492 L494 L541 T543 Y595N465-W480 HydrophobicContact CB-CH2 3.75Å; N465-W480 HydrophobicContact CB-CZ2 4.21Å; N465-W480 HydrophobicContact CB-CZ3 4.47Å; I472-W480 HydrophobicContact CD1-CH2 4.01Å; I472-W480 HydrophobicContact CD1-CZ3 3.75Å; I472-W480 HydrophobicContact CG1-CH2 3.9Å; I472-W480 HydrophobicContact CG1-CZ3 4.04Å; I472-W480 HydrophobicContact CG2-CZ3 4.3Å; T476-W480 HydrophobicContact CG2-CD2 3.94Å; T476-W480 HydrophobicContact CG2-CE3 4.38Å; T476-W480 HydrophobicContact CG2-CH2 3.93Å; T476-W480 HydrophobicContact CG2-CZ2 3.39Å; T476-W480 HydrophobicContact CG2-CZ3 4.38Å; T476-W480 PolarHBondContact O-N 3.01Å; L477-W480 HydrophobicContact CD1-CE3 4.23Å; L477-W480 PolarHBondContact O-N 3.39Å; Q478-W480 VanDerWaalsContact C-N 3.35Å; Q478-W480 PolarHBondContact O-N 3.33Å; W480-N482 VanDerWaalsContact C-N 3.34Å; W480-N482 PolarHBondContact O-N 3.47Å; W480-I483 PolarHBondContact O-N 3.31Å; W480-L484 WeakPolarHBondContact O-CG 3.45Å; W480-L484 PolarHBondContact O-N 2.98Å; W480-L492 HydrophobicContact CB-CD2 4.39Å; W480-L492 HydrophobicContact CD2-CD2 4.29Å; W480-L492 HydrophobicContact CE3-CD1 4.3Å; W480-L492 HydrophobicContact CE3-CD2 3.53Å; W480-L492 HydrophobicContact CZ3-CD2 4.13Å; W480-L494 HydrophobicContact CH2-CD2 4.43Å; W480-L494 HydrophobicContact CZ3-CD2 3.9Å; W480-L541 HydrophobicContact CG-CD1 4.14Å; W480-L541 HydrophobicContact CZ2-CB 4.38Å; W480-L541 WeakPolarHBondContact CZ2-O 3.46Å; W480-T543 HydrophobicContact CH2-CG2 3.92Å; W480-T543 HydrophobicContact CZ2-CG2 3.96Å; W480-Y595 PolarHBondContact NE1-OH 3.01Å
481A98.9Very high98.8Very high1 Ų132.4 Ų32.41%0.00817%0.171CC..Hα-helixtrans-64.5-38.6174.200000112.5L477 Q478 M479 L484 K485 M512 L514L477-A481 WeakPolarHBondContact O-CB 3.38Å; L477-A481 PolarHBondContact O-N 3.21Å; Q478-A481 PolarHBondContact O-N 2.87Å; M479-A481 VanDerWaalsContact C-N 3.34Å; M479-A481 PolarHBondContact O-N 3.21Å; A481-L484 PolarHBondContact O-N 3.19Å; A481-K485 VanDerWaalsContact O-CG 3.29Å; A481-K485 WeakPolarHBondContact O-CG 3.11Å; A481-K485 PolarHBondContact O-N 2.56Å; A481-M512 HydrophobicContact CB-CB 4.1Å; A481-M512 HydrophobicContact CB-SD 3.96Å; A481-L514 HydrophobicContact CB-CD1 3.69Å; A481-L514 HydrophobicContact CB-CG 4.1Å
482N98.9Very high98.8Very high46 Ų4631.6 Ų31.625%0.24617%0.167CC..Hα-helixtrans-61.7-45.2173.9-64.3-14.1000111.3Q478 M479 W480 K485 R486 E596Q478-N482 PolarHBondContact NE2-OD1 2.8Å; Q478-N482 PolarHBondContact O-N 3.46Å; Q478-N482 PolarHBondContact O-OD1 3.37Å; M479-N482 WeakPolarHBondContact O-CB 3.33Å; M479-N482 PolarHBondContact O-N 3.15Å; W480-N482 VanDerWaalsContact C-N 3.34Å; W480-N482 PolarHBondContact O-N 3.47Å; N482-K485 PolarHBondContact O-N 3.26Å; N482-R486 WeakPolarHBondContact O-CG 3.46Å; N482-R486 PolarHBondContact O-N 3.34Å; N482-R486 VanDerWaalsContact O-N 3.09Å; N482-E596 HydrophobicContact CB-CG 4.49Å; N482-E596 WeakPolarHBondContact CB-OE2 3.33Å; N482-E596 PolarHBondContact ND2-OE1 3.5Å
483I98.9Very high98.8Very high0 Ų031.5 Ų31.50%017%0.167CC..Hα-helixtrans-59.1-51.3176-66.5160.7000110.8Y463 M479 W480 K485 R486 V487 L541 Y595 E596 A599 V600Y463-I483 HydrophobicContact CD2-CG2 4.42Å; Y463-I483 HydrophobicContact CE1-CG2 4.23Å; Y463-I483 HydrophobicContact CE2-CG2 3.84Å; M479-I483 WeakPolarHBondContact O-CG1 3.27Å; M479-I483 PolarHBondContact O-N 3.48Å; M479-I483 VanDerWaalsContact O-N 3.09Å; W480-I483 PolarHBondContact O-N 3.31Å; I483-K485 VanDerWaalsContact C-N 3.28Å; I483-K485 PolarHBondContact O-N 2.95Å; I483-R486 CarbonylContact O-C 3.59Å; I483-R486 PolarHBondContact O-N 3.36Å; I483-R486 VanDerWaalsContact O-N 3.08Å; I483-V487 PolarHBondContact O-N 2.9Å; I483-L541 HydrophobicContact CD1-CD1 4.03Å; I483-L541 HydrophobicContact CD1-CD2 4.3Å; I483-Y595 HydrophobicContact CD1-CD1 3.97Å; I483-Y595 HydrophobicContact CD1-CE1 3.7Å; I483-E596 HydrophobicContact CD1-CG 4.41Å; I483-E596 HydrophobicContact CG1-CB 4.07Å; I483-E596 HydrophobicContact CG1-CG 4.06Å; I483-A599 HydrophobicContact CD1-CB 3.55Å; I483-A599 HydrophobicContact CG1-CB 3.93Å; I483-A599 HydrophobicContact CG2-CB 3.96Å; I483-V600 HydrophobicContact CB-CG2 4.33Å; I483-V600 HydrophobicContact CG1-CG2 4.3Å; I483-V600 HydrophobicContact CG2-CG2 4.12Å
484L98.9Very high98.8Very high1 Ų130.8 Ų30.81%0.00516%0.163CC..Hα-helixtrans-61.2-35.7-179.5-71.6175.2000112.3Y463 W480 A481 V487 S490 L492 L514 R518Y463-L484 HydrophobicContact CD2-CD2 4.1Å; W480-L484 WeakPolarHBondContact O-CG 3.45Å; W480-L484 PolarHBondContact O-N 2.98Å; A481-L484 PolarHBondContact O-N 3.19Å; L484-V487 CarbonylContact O-C 3.57Å; L484-S490 WeakPolarHBondContact CD2-OG 3.46Å; L484-L492 HydrophobicContact CD1-CB 3.89Å; L484-L492 HydrophobicContact CD2-CB 4.25Å; L484-L514 HydrophobicContact CB-CD2 3.94Å; L484-L514 HydrophobicContact CD1-CD1 3.73Å; L484-L514 HydrophobicContact CD1-CD2 4.34Å; L484-R518 HydrophobicContact CD1-CB 4.43Å; L484-R518 PolarHBondContact O-NH1 3.4Å; L484-R518 VanDerWaalsContact O-NH1 3.16Å; L484-R518 PolarHBondContact O-NH2 3.38Å
485K98.8Very high98.8Very high105 Ų10529.1 Ų29.146%0.45715%0.152SC..Hα-helixtrans-67.8-36.3174.9-74172.5-178.41790112.5A481 N482 I483 M512 L514A481-K485 VanDerWaalsContact O-CG 3.29Å; A481-K485 WeakPolarHBondContact O-CG 3.11Å; A481-K485 PolarHBondContact O-N 2.56Å; N482-K485 PolarHBondContact O-N 3.26Å; I483-K485 VanDerWaalsContact C-N 3.28Å; I483-K485 PolarHBondContact O-N 2.95Å; K485-M512 WeakPolarHBondContact CE-O 3.45Å; K485-M512 PolarHBondContact NZ-O 3.19Å; K485-L514 HydrophobicContact CG-CD2 4.12Å
486R98.9Very high98.8Very high100 Ų10030.5 Ų30.538%0.37715%0.148SC..Hα-helixtrans-79.1-17.1179.6-69.6169.363.2-169.9-1.4113.3N482 I483 P488 E596 D597 V600N482-R486 WeakPolarHBondContact O-CG 3.46Å; N482-R486 PolarHBondContact O-N 3.34Å; N482-R486 VanDerWaalsContact O-N 3.09Å; I483-R486 CarbonylContact O-C 3.59Å; I483-R486 PolarHBondContact O-N 3.36Å; I483-R486 VanDerWaalsContact O-N 3.08Å; R486-P488 WeakPolarHBondContact O-CD 3.41Å; R486-E596 IonicContact NH1-OE2 3.64Å; R486-D597 IonicContact CZ-OD1 3.7Å; R486-D597 VanDerWaalsContact CZ-OD1 3.26Å; R486-D597 IonicContact NH1-OD1 2.81Å; R486-D597 PolarHBondContact NH1-OD1 3.2Å; R486-D597 IonicContact NH2-OD1 3.73Å; R486-D597 PolarHBondContact NH2-OD1 3.1Å; R486-V600 HydrophobicContact CB-CG1 4.03Å; R486-V600 HydrophobicContact CB-CG2 3.64Å; R486-V600 HydrophobicContact CG-CG2 4.47Å
487V98.8Very high98.8Very high4 Ų433.7 Ų33.72%0.02416%0.162CC..SBendtrans-118.886173.7-169.60000109.4Y463 I483 L484 N489 S490 R518 V600 G603 T604Y463-V487 HydrophobicContact CE2-CB 4.47Å; Y463-V487 WeakPolarHBondContact OH-CG2 3.44Å; I483-V487 PolarHBondContact O-N 2.9Å; L484-V487 CarbonylContact O-C 3.57Å; V487-N489 VanDerWaalsContact C-N 3.3Å; V487-N489 PolarHBondContact O-N 3.44Å; V487-S490 WeakPolarHBondContact O-CB 3.38Å; V487-S490 PolarHBondContact O-N 3.18Å; V487-S490 PolarHBondContact O-OG 3.41Å; V487-R518 PolarHBondContact O-NH2 2.94Å; V487-R518 VanDerWaalsContact O-NH2 3.13Å; V487-V600 HydrophobicContact CG2-CB 4.23Å; V487-V600 HydrophobicContact CG2-CG1 4.06Å; V487-V600 HydrophobicContact CG2-CG2 4.05Å; V487-G603 WeakPolarHBondContact CG1-O 3.19Å; V487-T604 HydrophobicContact CG1-CG2 4.31Å; V487-T604 HydrophobicContact CG2-CG2 3.98Å
488P97.8Very high98.7Very high106 Ų10635.5 Ų35.569%0.68817%0.174SC*.SBendtrans-56.5-41.8-170.3-27.835.3000113.7R486 S490R486-P488 WeakPolarHBondContact O-CD 3.41Å; P488-S490 VanDerWaalsContact C-N 3.3Å; P488-S490 PolarHBondContact O-N 3.25Å; P488-S490 VanDerWaalsContact O-N 3.16Å
489N98.4Very high98.7Very high92 Ų9234.6 Ų34.649%0.49218%0.179SC..SBendtrans-91.360.9-179.9-165.521.5000111.3D459 A460 I461 V487D459-N489 PolarHBondContact O-ND2 3.02Å; A460-N489 WeakPolarHBondContact CA-O 3.49Å; A460-N489 WeakPolarHBondContact CB-O 3.42Å; A460-N489 WeakPolarHBondContact CB-OD1 3.37Å; I461-N489 PolarHBondContact N-O 3.37Å; V487-N489 VanDerWaalsContact C-N 3.3Å; V487-N489 PolarHBondContact O-N 3.44Å
490S98.9Very high98.7Very high2 Ų237.6 Ų37.61%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-145.4157.4178.168.70000113.5I461 L484 V487 P488 R518I461-S490 CarbonylContact O-C 3.55Å; I461-S490 WeakPolarHBondContact O-CA 3.26Å; I461-S490 WeakPolarHBondContact O-CB 3.33Å; L484-S490 WeakPolarHBondContact CD2-OG 3.46Å; V487-S490 WeakPolarHBondContact O-CB 3.38Å; V487-S490 PolarHBondContact O-N 3.18Å; V487-S490 PolarHBondContact O-OG 3.41Å; P488-S490 VanDerWaalsContact C-N 3.3Å; P488-S490 PolarHBondContact O-N 3.25Å; P488-S490 VanDerWaalsContact O-N 3.16Å; S490-R518 VanDerWaalsContact O-CZ 3.22Å; S490-R518 PolarHBondContact O-NE 2.79Å; S490-R518 PolarHBondContact O-NH2 2.88Å; S490-R518 PolarHBondContact OG-NH2 2.81Å
491V98.9Very high98.6Very high11 Ų1137.6 Ų37.67%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-130156.1172.1-63.70000110.4P457 I461 V462 Y463 R518 I520P457-V491 HydrophobicContact CG-CB 4.48Å; P457-V491 HydrophobicContact CG-CG1 3.9Å; P457-V491 HydrophobicContact CG-CG2 3.71Å; I461-V491 PolarHBondContact O-N 2.96Å; V462-V491 HydrophobicContact CB-CG2 4.38Å; V462-V491 HydrophobicContact CG1-CG2 4.48Å; V462-V491 HydrophobicContact CG2-CG2 3.81Å; Y463-V491 PolarHBondContact N-O 3.1Å; V491-R518 CarbonylContact C-O 3.5Å; V491-R518 WeakPolarHBondContact CA-O 3.03Å; V491-I520 HydrophobicContact CB-CD1 4.2Å; V491-I520 HydrophobicContact CG1-CD1 4.14Å; V491-I520 HydrophobicContact CG2-CD1 4.09Å
492L99Very high98.6Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-102.6128.3168.117767.7000109.4Y463 W480 L484 L494 R518 I519 I520 L541Y463-L492 CarbonylContact O-C 3.51Å; Y463-L492 WeakPolarHBondContact O-CA 3.43Å; W480-L492 HydrophobicContact CB-CD2 4.39Å; W480-L492 HydrophobicContact CD2-CD2 4.29Å; W480-L492 HydrophobicContact CE3-CD1 4.3Å; W480-L492 HydrophobicContact CE3-CD2 3.53Å; W480-L492 HydrophobicContact CZ3-CD2 4.13Å; L484-L492 HydrophobicContact CD1-CB 3.89Å; L484-L492 HydrophobicContact CD2-CB 4.25Å; L492-L494 HydrophobicContact CD1-CD2 4.11Å; L492-L494 HydrophobicContact CD2-CD1 4.02Å; L492-L494 HydrophobicContact CD2-CD2 4.1Å; L492-L494 HydrophobicContact CD2-CG 4.07Å; L492-L494 HydrophobicContact CG-CD1 4.46Å; L492-L494 HydrophobicContact CG-CD2 3.96Å; L492-L494 HydrophobicContact CG-CG 3.97Å; L492-R518 PolarHBondContact N-O 3Å; L492-I519 HydrophobicContact CB-CG1 4.39Å; L492-I519 HydrophobicContact CD2-CD1 4.4Å; L492-I519 HydrophobicContact CD2-CG1 4.47Å; L492-I519 CarbonylContact O-C 3.59Å; L492-I519 VanDerWaalsContact O-CA 3.3Å; L492-I519 WeakPolarHBondContact O-CA 3.5Å; L492-I520 PolarHBondContact O-N 2.89Å; L492-L541 HydrophobicContact CD1-CD1 4.43Å
493W98.9Very high98.6Very high0 Ų041.2 Ų41.20%022%0.22CC..EExtended strand (participates in β ladder)trans-108.7111.1-178.4-175.821.1000110.4Y454 L456 V462 Y463 C464 N465 F466 I520 S522 R533 L536Y454-W493 HydrophobicContact CD1-CZ2 4.03Å; Y454-W493 HydrophobicContact CD2-CH2 4.14Å; Y454-W493 HydrophobicContact CD2-CZ2 4.14Å; Y454-W493 HydrophobicContact CG-CH2 4.22Å; Y454-W493 AromaticContact CG-CZ2 3.75Å; Y454-W493 HydrophobicContact CG-CZ2 3.75Å; L456-W493 HydrophobicContact CD1-CD2 3.91Å; L456-W493 HydrophobicContact CD1-CE3 3.65Å; L456-W493 HydrophobicContact CD1-CH2 3.84Å; L456-W493 HydrophobicContact CD1-CZ2 4.09Å; L456-W493 HydrophobicContact CD1-CZ3 3.62Å; L456-W493 HydrophobicContact CD2-CB 4.15Å; L456-W493 HydrophobicContact CD2-CD2 3.92Å; L456-W493 HydrophobicContact CD2-CE3 4.32Å; L456-W493 HydrophobicContact CD2-CG 3.84Å; L456-W493 HydrophobicContact CG-CD2 4.46Å; V462-W493 HydrophobicContact CG1-CB 3.92Å; V462-W493 HydrophobicContact CG1-CE3 3.95Å; Y463-W493 PolarHBondContact O-N 3.1Å; C464-W493 WeakPolarHBondContact CA-O 3.2Å; C464-W493 HydrophobicContact CB-CB 4.13Å; C464-W493 HydrophobicContact CB-CE3 4.19Å; N465-W493 PolarHBondContact N-O 3Å; F466-W493 AromaticContact CE1-CD2 3.63Å; F466-W493 HydrophobicContact CE1-CD2 3.63Å; F466-W493 AromaticContact CE1-CE2 3.91Å; F466-W493 AromaticContact CE1-CE3 3.73Å; F466-W493 HydrophobicContact CE1-CE3 3.73Å; F466-W493 HydrophobicContact CE1-CG 4.1Å; F466-W493 HydrophobicContact CE1-CH2 4.4Å; F466-W493 HydrophobicContact CE1-CZ2 4.3Å; F466-W493 HydrophobicContact CE1-CZ3 4.12Å; F466-W493 AromaticContact CZ-CD2 3.91Å; F466-W493 HydrophobicContact CZ-CD2 3.91Å; F466-W493 AromaticContact CZ-CE3 3.51Å; F466-W493 HydrophobicContact CZ-CE3 3.51Å; F466-W493 AromaticContact CZ-CH2 3.93Å; F466-W493 HydrophobicContact CZ-CH2 3.93Å; F466-W493 HydrophobicContact CZ-CZ2 4.28Å; F466-W493 AromaticContact CZ-CZ3 3.53Å; F466-W493 HydrophobicContact CZ-CZ3 3.53Å; W493-I520 WeakPolarHBondContact CA-O 3.41Å; W493-S522 PolarHBondContact NE1-OG 3.36Å; W493-R533 HydrophobicContact CH2-CB 3.94Å; W493-R533 HydrophobicContact CH2-CG 3.72Å; W493-R533 HydrophobicContact CZ2-CG 4.23Å; W493-R533 WeakPolarHBondContact CZ3-O 3.4Å; W493-L536 HydrophobicContact CH2-CD1 4.29Å; W493-L536 HydrophobicContact CZ3-CB 4.12Å
494L98.9Very high98.6Very high1 Ų143.5 Ų43.51%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-116.7169.2-179.2-59.6-177.4000111.4N465 I472 W480 L492 I505 I519 I520 F521 S522N465-L494 HydrophobicContact CB-CD2 3.86Å; I472-L494 HydrophobicContact CD1-CD1 4.45Å; W480-L494 HydrophobicContact CH2-CD2 4.43Å; W480-L494 HydrophobicContact CZ3-CD2 3.9Å; L492-L494 HydrophobicContact CD1-CD2 4.11Å; L492-L494 HydrophobicContact CD2-CD1 4.02Å; L492-L494 HydrophobicContact CD2-CD2 4.1Å; L492-L494 HydrophobicContact CD2-CG 4.07Å; L492-L494 HydrophobicContact CG-CD1 4.46Å; L492-L494 HydrophobicContact CG-CD2 3.96Å; L492-L494 HydrophobicContact CG-CG 3.97Å; L494-I505 HydrophobicContact CD1-CG2 4.03Å; L494-I519 HydrophobicContact CD1-CG2 3.93Å; L494-I519 HydrophobicContact CG-CG2 4.19Å; L494-I520 PolarHBondContact N-O 3.25Å; L494-F521 HydrophobicContact CB-CD1 3.92Å; L494-F521 HydrophobicContact CB-CE1 3.63Å; L494-F521 HydrophobicContact CB-CZ 4.01Å; L494-F521 HydrophobicContact CD1-CE1 4.15Å; L494-F521 HydrophobicContact CD1-CE2 4.49Å; L494-F521 HydrophobicContact CD1-CZ 3.8Å; L494-F521 HydrophobicContact CG-CZ 4.49Å; L494-F521 WeakPolarHBondContact O-CA 3.31Å; L494-S522 PolarHBondContact O-N 3.1Å
495L98.8Very high98.6Very high1 Ų143.4 Ų43.41%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-106.7147.3175.8-54.3-170000111.7F466 F497 S522F466-L495 HydrophobicContact CB-CD1 3.83Å; F466-L495 HydrophobicContact CB-CG 4.24Å; F466-L495 HydrophobicContact CD1-CD1 4.23Å; F466-L495 HydrophobicContact CD1-CD2 3.69Å; F466-L495 HydrophobicContact CD1-CG 3.87Å; F466-L495 HydrophobicContact CE1-CD2 4.14Å; F466-L495 HydrophobicContact CG-CD1 4.31Å; F466-L495 HydrophobicContact CG-CG 4.42Å; L495-F497 HydrophobicContact CB-CB 4.02Å; L495-F497 PolarHBondContact O-N 3.22Å; L495-S522 CarbonylContact C-O 3.55Å; L495-S522 WeakPolarHBondContact CA-O 3.43Å
496R98.8Very high98.6Very high88 Ų8839.6 Ų39.633%0.33222%0.215SC..  trans-69.870.9166.1-69.4-172.4-175.387.719110.2P498 A499 E502 F521 S522R496-P498 CarbonylContact O-C 3.57Å; R496-A499 HydrophobicContact CB-CB 3.92Å; R496-A499 HydrophobicContact CG-CB 4.35Å; R496-A499 PolarHBondContact O-N 2.79Å; R496-E502 WeakPolarHBondContact CD-OE2 3.41Å; R496-E502 WeakPolarHBondContact CG-OE2 3.37Å; R496-E502 IonicContact CZ-OE2 2.73Å; R496-E502 IonicContact NE-OE2 2.6Å; R496-E502 PolarHBondContact NE-OE2 3.06Å; R496-E502 IonicContact NH2-OE1 3.66Å; R496-E502 IonicContact NH2-OE2 2.86Å; R496-E502 PolarHBondContact NH2-OE2 3.44Å; R496-F521 HydrophobicContact CG-CB 4.09Å; R496-F521 HydrophobicContact CG-CD1 4.31Å; R496-F521 PolarHBondContact NH1-O 2.93Å; R496-F521 PolarHBondContact NH2-O 3.06Å; R496-S522 PolarHBondContact N-O 3.24Å
497F98.1Very high98.6Very high69 Ų6939.2 Ų39.230%0.30322%0.218SC..THydrogen-bonded Turntrans-131.668.8-169.3-153.36.5000113.2Q468 L469 L495 V524Q468-F497 HydrophobicContact CB-CD2 4.19Å; Q468-F497 HydrophobicContact CB-CE2 4.46Å; Q468-F497 HydrophobicContact CB-CG 4.34Å; Q468-F497 HydrophobicContact CG-CD1 3.89Å; Q468-F497 HydrophobicContact CG-CD2 3.44Å; Q468-F497 VanDerWaalsContact CG-CD2 3.44Å; Q468-F497 HydrophobicContact CG-CE1 3.78Å; Q468-F497 HydrophobicContact CG-CE2 3.31Å; Q468-F497 HydrophobicContact CG-CG 3.75Å; Q468-F497 HydrophobicContact CG-CZ 3.5Å; L469-F497 WeakPolarHBondContact CG-O 3.41Å; L469-F497 PolarHBondContact N-O 2.79Å; L495-F497 HydrophobicContact CB-CB 4.02Å; L495-F497 PolarHBondContact O-N 3.22Å; F497-V524 HydrophobicContact CB-CG2 3.89Å; F497-V524 HydrophobicContact CD1-CG2 3.72Å; F497-V524 HydrophobicContact CD2-CG2 3.96Å; F497-V524 HydrophobicContact CE1-CG2 4.15Å; F497-V524 HydrophobicContact CE2-CG2 4.37Å; F497-V524 HydrophobicContact CG-CG2 3.6Å; F497-V524 HydrophobicContact CZ-CG2 4.46Å
498P98Very high98.6Very high39 Ų3941.3 Ų41.325%0.25323%0.226SC..THydrogen-bonded Turncis-90.7165.75.736.2-35.6000113.7I94 V95 R496 V500 G501I94-P498 HydrophobicContact CG2-CG 3.89Å; I94-P498 WeakPolarHBondContact O-CD 3.33Å; V95-P498 HydrophobicContact CG1-CG 4.36Å; R496-P498 CarbonylContact O-C 3.57Å; P498-V500 HydrophobicContact CB-CG2 4.11Å; P498-V500 HydrophobicContact CG-CG2 3.76Å; P498-V500 PolarHBondContact O-N 3.45Å; P498-G501 PolarHBondContact O-N 3.35Å
499A98.3Very high98.6Very high54 Ų5436.3 Ų36.345%0.44619%0.193SC..G310 helixtrans-56.8-34.2179.700000113.7R496 G501 E502R496-A499 HydrophobicContact CB-CB 3.92Å; R496-A499 HydrophobicContact CG-CB 4.35Å; R496-A499 PolarHBondContact O-N 2.79Å; A499-G501 PolarHBondContact O-N 3.47Å; A499-G501 VanDerWaalsContact O-N 3.13Å; A499-E502 WeakPolarHBondContact O-CB 3.43Å; A499-E502 PolarHBondContact O-N 3.37Å; A499-E502 VanDerWaalsContact O-N 3.09Å
500V98Very high98.6Very high69 Ų6937.8 Ų37.842%0.41820%0.197SC..G310 helixtrans-65.9-12.1178.2-64.30000113.8P65 V95 P498P65-V500 HydrophobicContact CG-CG1 4.26Å; V95-V500 HydrophobicContact CB-CG2 4.45Å; V95-V500 HydrophobicContact CG1-CG2 3.62Å; P498-V500 HydrophobicContact CB-CG2 4.11Å; P498-V500 HydrophobicContact CG-CG2 3.76Å; P498-V500 PolarHBondContact O-N 3.45Å
501G98.6Very high98.6Very high0 Ų042.9 Ų42.90%022%0.224CC..G310 helixtrans-84.8-18.2172.800000114.5V95 P498 A499 N504 I505V95-G501 WeakPolarHBondContact O-CA 3.35Å; P498-G501 PolarHBondContact O-N 3.35Å; A499-G501 PolarHBondContact O-N 3.47Å; A499-G501 VanDerWaalsContact O-N 3.13Å; G501-N504 PolarHBondContact O-N 3.2Å; G501-I505 PolarHBondContact O-N 3.14Å; G501-I505 VanDerWaalsContact O-N 3.11Å
502E98.7Very high98.6Very high41 Ų4143.9 Ų43.919%0.19223%0.228CC..Hα-helixtrans-57.9-48.6-179.8167173.9-171.100112.7R496 A499 N504 I505 Q506 F521R496-E502 WeakPolarHBondContact CD-OE2 3.41Å; R496-E502 WeakPolarHBondContact CG-OE2 3.37Å; R496-E502 IonicContact CZ-OE2 2.73Å; R496-E502 IonicContact NE-OE2 2.6Å; R496-E502 PolarHBondContact NE-OE2 3.06Å; R496-E502 IonicContact NH2-OE1 3.66Å; R496-E502 IonicContact NH2-OE2 2.86Å; R496-E502 PolarHBondContact NH2-OE2 3.44Å; A499-E502 WeakPolarHBondContact O-CB 3.43Å; A499-E502 PolarHBondContact O-N 3.37Å; A499-E502 VanDerWaalsContact O-N 3.09Å; E502-N504 VanDerWaalsContact C-N 3.28Å; E502-N504 PolarHBondContact O-N 3.43Å; E502-I505 PolarHBondContact O-N 3.07Å; E502-Q506 HydrophobicContact CG-CG 4.3Å; E502-Q506 WeakPolarHBondContact O-CB 3.41Å; E502-Q506 VanDerWaalsContact O-CG 3.27Å; E502-Q506 WeakPolarHBondContact O-CG 3.35Å; E502-Q506 PolarHBondContact O-N 2.76Å; E502-F521 HydrophobicContact CB-CD1 3.98Å; E502-F521 HydrophobicContact CB-CD2 4.37Å; E502-F521 HydrophobicContact CB-CE1 3.95Å; E502-F521 HydrophobicContact CB-CE2 4.34Å; E502-F521 HydrophobicContact CB-CG 4.19Å; E502-F521 HydrophobicContact CB-CZ 4.13Å; E502-F521 HydrophobicContact CG-CB 4.37Å; E502-F521 HydrophobicContact CG-CD1 4.09Å; E502-F521 HydrophobicContact CG-CD2 3.64Å; E502-F521 HydrophobicContact CG-CE1 4.26Å; E502-F521 HydrophobicContact CG-CE2 3.82Å; E502-F521 HydrophobicContact CG-CG 3.77Å; E502-F521 HydrophobicContact CG-CZ 4.13Å
503P98.7Very high98.6Very high82 Ų8246.4 Ų46.453%0.53225%0.254SS..Hα-helixtrans-59.7-37.3178.7-2434.5000113.2Q506 Q507P503-Q506 PolarHBondContact O-N 3.12Å; P503-Q507 WeakPolarHBondContact O-CB 3.27Å; P503-Q507 PolarHBondContact O-N 3.35Å
504N98.8Very high98.6Very high48 Ų4846.7 Ų46.726%0.25726%0.256SS..Hα-helixtrans-66.8-50179.7-68-22.8000110.9V95 G501 E502 Q506 Q507 Y508V95-N504 WeakPolarHBondContact O-CB 3.32Å; V95-N504 PolarHBondContact O-ND2 2.92Å; G501-N504 PolarHBondContact O-N 3.2Å; E502-N504 VanDerWaalsContact C-N 3.28Å; E502-N504 PolarHBondContact O-N 3.43Å; N504-Q506 VanDerWaalsContact C-N 3.3Å; N504-Q506 PolarHBondContact O-N 2.85Å; N504-Q507 PolarHBondContact O-N 3Å; N504-Q507 VanDerWaalsContact O-N 3.17Å; N504-Y508 HydrophobicContact CB-CE2 4.43Å; N504-Y508 WeakPolarHBondContact O-CD2 3.48Å; N504-Y508 PolarHBondContact O-N 3.31Å
505I98.9Very high98.5Very high0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-57.8-44.6176-67.5-66.6000111C96 W98 I472 L477 L494 G501 E502 Q507 Y508 A509 I519 F521C96-I505 HydrophobicContact CB-CD1 3.69Å; C96-I505 HydrophobicContact CB-CG1 4.05Å; W98-I505 HydrophobicContact CH2-CD1 3.5Å; W98-I505 HydrophobicContact CZ2-CD1 3.9Å; W98-I505 HydrophobicContact CZ3-CD1 4.33Å; I472-I505 HydrophobicContact CD1-CD1 4.49Å; I472-I505 HydrophobicContact CG2-CD1 4.4Å; L477-I505 HydrophobicContact CD1-CG2 4.29Å; L477-I505 HydrophobicContact CD2-CD1 4.4Å; L477-I505 HydrophobicContact CD2-CG2 4.43Å; L494-I505 HydrophobicContact CD1-CG2 4.03Å; G501-I505 PolarHBondContact O-N 3.14Å; G501-I505 VanDerWaalsContact O-N 3.11Å; E502-I505 PolarHBondContact O-N 3.07Å; I505-Q507 VanDerWaalsContact C-N 3.33Å; I505-Q507 PolarHBondContact O-N 3.24Å; I505-Y508 PolarHBondContact O-N 3.12Å; I505-A509 VanDerWaalsContact O-CB 3.27Å; I505-A509 WeakPolarHBondContact O-CB 3.5Å; I505-A509 PolarHBondContact O-N 2.68Å; I505-I519 HydrophobicContact CG2-CD1 4.24Å; I505-F521 HydrophobicContact CB-CZ 4.01Å; I505-F521 HydrophobicContact CG2-CE2 4.4Å; I505-F521 HydrophobicContact CG2-CZ 3.87Å
506Q98.7Very high98.4Very high24 Ų2457 Ų5711%0.11231%0.311CS..Hα-helixtrans-61.2-41.3178.1-70.3-71.9800111.8E502 P503 N504 A509 Q510 I519 F521E502-Q506 HydrophobicContact CG-CG 4.3Å; E502-Q506 WeakPolarHBondContact O-CB 3.41Å; E502-Q506 VanDerWaalsContact O-CG 3.27Å; E502-Q506 WeakPolarHBondContact O-CG 3.35Å; E502-Q506 PolarHBondContact O-N 2.76Å; P503-Q506 PolarHBondContact O-N 3.12Å; N504-Q506 VanDerWaalsContact C-N 3.3Å; N504-Q506 PolarHBondContact O-N 2.85Å; Q506-A509 PolarHBondContact O-N 3.25Å; Q506-Q510 WeakPolarHBondContact O-CB 3.42Å; Q506-Q510 PolarHBondContact O-N 2.93Å; Q506-I519 PolarHBondContact NE2-O 2.96Å; Q506-I519 VanDerWaalsContact NE2-O 3.15Å; Q506-F521 HydrophobicContact CG-CE2 4.16Å
507Q98.7Very high98.3Very high93 Ų9358.3 Ų58.344%0.43532%0.324SS..Hα-helixtrans-64.4-46.6176.9-173.161.462.400112P503 N504 I505 A509 Q510 N511P503-Q507 WeakPolarHBondContact O-CB 3.27Å; P503-Q507 PolarHBondContact O-N 3.35Å; N504-Q507 PolarHBondContact O-N 3Å; N504-Q507 VanDerWaalsContact O-N 3.17Å; I505-Q507 VanDerWaalsContact C-N 3.33Å; I505-Q507 PolarHBondContact O-N 3.24Å; Q507-A509 VanDerWaalsContact C-N 3.33Å; Q507-A509 PolarHBondContact O-N 3.37Å; Q507-Q510 VanDerWaalsContact NE2-OE1 3.15Å; Q507-Q510 PolarHBondContact O-N 3.3Å; Q507-N511 PolarHBondContact NE2-OD1 2.92Å; Q507-N511 PolarHBondContact O-N 2.88Å; Q507-N511 PolarHBondContact O-ND2 2.91Å; Q507-N511 PolarHBondContact O-OD1 3.04Å
508Y98.8Very high98.4Very high48 Ų4856.6 Ų56.619%0.18832%0.316CS..Hα-helixtrans-64.4-38.7177-70.4-67.1000112C96 W98 T99 N504 I505 N511 M512C96-Y508 VanDerWaalsContact O-CE2 3.28Å; C96-Y508 WeakPolarHBondContact O-CE2 3.34Å; W98-Y508 WeakPolarHBondContact CA-OH 3.26Å; W98-Y508 HydrophobicContact CB-CE1 4.23Å; W98-Y508 HydrophobicContact CB-CE2 4.08Å; W98-Y508 HydrophobicContact CD2-CD2 4.1Å; W98-Y508 AromaticContact CD2-CE2 3.99Å; W98-Y508 HydrophobicContact CD2-CE2 3.99Å; W98-Y508 AromaticContact CE3-CD1 3.94Å; W98-Y508 HydrophobicContact CE3-CD1 3.94Å; W98-Y508 AromaticContact CE3-CD2 3.27Å; W98-Y508 HydrophobicContact CE3-CD2 3.27Å; W98-Y508 HydrophobicContact CE3-CE1 4.17Å; W98-Y508 AromaticContact CE3-CE2 3.57Å; W98-Y508 HydrophobicContact CE3-CE2 3.57Å; W98-Y508 AromaticContact CE3-CG 3.51Å; W98-Y508 HydrophobicContact CE3-CG 3.51Å; W98-Y508 HydrophobicContact CG-CE2 4.24Å; W98-Y508 HydrophobicContact CZ3-CD1 4.48Å; W98-Y508 AromaticContact CZ3-CD2 3.6Å; W98-Y508 HydrophobicContact CZ3-CD2 3.6Å; W98-Y508 HydrophobicContact CZ3-CE2 4.33Å; W98-Y508 AromaticContact CZ3-CG 3.73Å; W98-Y508 HydrophobicContact CZ3-CG 3.73Å; W98-Y508 PolarHBondContact N-OH 3.2Å; T99-Y508 PolarHBondContact N-OH 3.17Å; N504-Y508 HydrophobicContact CB-CE2 4.43Å; N504-Y508 WeakPolarHBondContact O-CD2 3.48Å; N504-Y508 PolarHBondContact O-N 3.31Å; I505-Y508 PolarHBondContact O-N 3.12Å; Y508-N511 PolarHBondContact O-N 3.24Å; Y508-M512 VanDerWaalsContact O-CG 3.28Å; Y508-M512 WeakPolarHBondContact O-CG 3.31Å; Y508-M512 PolarHBondContact O-N 3.32Å
509A98.7Very high98.4Very high1 Ų155 Ų551%0.00831%0.305CS..Hα-helixtrans-61.9-42.8174.400000112I505 Q506 Q507 M512 G513 L514 I519I505-A509 VanDerWaalsContact O-CB 3.27Å; I505-A509 WeakPolarHBondContact O-CB 3.5Å; I505-A509 PolarHBondContact O-N 2.68Å; Q506-A509 PolarHBondContact O-N 3.25Å; Q507-A509 VanDerWaalsContact C-N 3.33Å; Q507-A509 PolarHBondContact O-N 3.37Å; A509-M512 CarbonylContact O-C 3.56Å; A509-M512 WeakPolarHBondContact O-CA 3.28Å; A509-M512 WeakPolarHBondContact O-CB 3.47Å; A509-M512 PolarHBondContact O-N 3.16Å; A509-M512 VanDerWaalsContact O-N 3.15Å; A509-G513 PolarHBondContact O-N 3.35Å; A509-L514 HydrophobicContact CB-CB 4.26Å; A509-L514 HydrophobicContact CB-CD1 4.12Å; A509-L514 WeakPolarHBondContact O-CB 3.47Å; A509-L514 PolarHBondContact O-N 2.95Å; A509-I519 HydrophobicContact CB-CD1 3.45Å; A509-I519 VanDerWaalsContact CB-CD1 3.45Å
510Q98.6Very high98.4Very high122 Ų12253.8 Ų53.857%0.5729%0.291SS*.Hα-helixtrans-61.1-44174.4-173.5-177.344.800111.5Q506 Q507 M512 G513 L514Q506-Q510 WeakPolarHBondContact O-CB 3.42Å; Q506-Q510 PolarHBondContact O-N 2.93Å; Q507-Q510 VanDerWaalsContact NE2-OE1 3.15Å; Q507-Q510 PolarHBondContact O-N 3.3Å; Q510-M512 PolarHBondContact O-N 3.22Å; Q510-G513 WeakPolarHBondContact O-CA 3.04Å; Q510-G513 PolarHBondContact O-N 3.43Å; Q510-L514 WeakPolarHBondContact CA-O 3.38Å
511N98.5Very high98.5Very high109 Ų10951.1 Ų51.158%0.58327%0.273SS*.Hα-helixtrans-63-31.1176.5-63.2-8.6000111.8Q507 Y508 G513Q507-N511 PolarHBondContact NE2-OD1 2.92Å; Q507-N511 PolarHBondContact O-N 2.88Å; Q507-N511 PolarHBondContact O-ND2 2.91Å; Q507-N511 PolarHBondContact O-OD1 3.04Å; Y508-N511 PolarHBondContact O-N 3.24Å; N511-G513 PolarHBondContact O-N 3.3Å
512M98.6Very high98.5Very high32 Ų3251.2 Ų51.216%0.15827%0.274CS..THydrogen-bonded Turntrans-791171.7-66.4171.5-176.400113L477 Q478 A481 K485 Y508 A509 Q510L477-M512 HydrophobicContact CB-CE 4.26Å; L477-M512 HydrophobicContact CB-SD 4.46Å; L477-M512 HydrophobicContact CD2-CE 4.27Å; L477-M512 HydrophobicContact CD2-SD 4.18Å; L477-M512 HydrophobicContact CG-CE 4.29Å; L477-M512 HydrophobicContact CG-SD 3.98Å; Q478-M512 HydrophobicContact CB-CE 4.02Å; Q478-M512 HydrophobicContact CB-SD 4.41Å; A481-M512 HydrophobicContact CB-CB 4.1Å; A481-M512 HydrophobicContact CB-SD 3.96Å; K485-M512 WeakPolarHBondContact CE-O 3.45Å; K485-M512 PolarHBondContact NZ-O 3.19Å; Y508-M512 VanDerWaalsContact O-CG 3.28Å; Y508-M512 WeakPolarHBondContact O-CG 3.31Å; Y508-M512 PolarHBondContact O-N 3.32Å; A509-M512 CarbonylContact O-C 3.56Å; A509-M512 WeakPolarHBondContact O-CA 3.28Å; A509-M512 WeakPolarHBondContact O-CB 3.47Å; A509-M512 PolarHBondContact O-N 3.16Å; A509-M512 VanDerWaalsContact O-N 3.15Å; Q510-M512 PolarHBondContact O-N 3.22Å
513G98.4Very high98.5Very high53 Ų5352.8 Ų52.855%0.54629%0.288SS..THydrogen-bonded Turntrans8321.7177.500000115A509 Q510 N511A509-G513 PolarHBondContact O-N 3.35Å; Q510-G513 WeakPolarHBondContact O-CA 3.04Å; Q510-G513 PolarHBondContact O-N 3.43Å; N511-G513 PolarHBondContact O-N 3.3Å
514L98.4Very high98.4Very high7 Ų752.3 Ų52.34%0.03728%0.283CS..  trans-94.3129.7171-62.6176000110.6A481 L484 K485 A509 Q510 I519A481-L514 HydrophobicContact CB-CD1 3.69Å; A481-L514 HydrophobicContact CB-CG 4.1Å; L484-L514 HydrophobicContact CB-CD2 3.94Å; L484-L514 HydrophobicContact CD1-CD1 3.73Å; L484-L514 HydrophobicContact CD1-CD2 4.34Å; K485-L514 HydrophobicContact CG-CD2 4.12Å; A509-L514 HydrophobicContact CB-CB 4.26Å; A509-L514 HydrophobicContact CB-CD1 4.12Å; A509-L514 WeakPolarHBondContact O-CB 3.47Å; A509-L514 PolarHBondContact O-N 2.95Å; Q510-L514 WeakPolarHBondContact CA-O 3.38Å; L514-I519 HydrophobicContact CD1-CD1 4.42Å
515P97.7Very high98.3Very high73 Ų7350.7 Ų50.747%0.47428%0.277SS..  trans-70.1153.7169.723-25000111.3N517 R518P515-N517 WeakPolarHBondContact CB-OD1 3.17Å; P515-N517 WeakPolarHBondContact CG-OD1 3.23Å; P515-N517 PolarHBondContact O-N 3.4Å; P515-N517 VanDerWaalsContact O-N 3.11Å; P515-R518 HydrophobicContact CG-CG 3.73Å; P515-R518 WeakPolarHBondContact O-CB 3.47Å; P515-R518 WeakPolarHBondContact O-CG 3.25Å; P515-R518 PolarHBondContact O-N 3.09Å
516Q97Very high98.3Very high146 Ų14652.6 Ų52.668%0.68229%0.289SS*.G310 helixtrans-55.1-34-174.3-170.4-178.7700113.3R518 I519Q516-R518 PolarHBondContact O-N 3.29Å; Q516-I519 PolarHBondContact O-N 3.31Å
517N97.4Very high98.3Very high114 Ų11453 Ų5361%0.6129%0.29SS*.G310 helixtrans-69.3-9179.770.3-26.9000114.2P515 I519P515-N517 WeakPolarHBondContact CB-OD1 3.17Å; P515-N517 WeakPolarHBondContact CG-OD1 3.23Å; P515-N517 PolarHBondContact O-N 3.4Å; P515-N517 VanDerWaalsContact O-N 3.11Å; N517-I519 VanDerWaalsContact C-N 3.34Å
518R98.6Very high98.3Very high33 Ų3348.5 Ų48.513%0.12527%0.269CS..G310 helixtrans-79.3-16.8175.4-58.1-57.7-58.4-79.6-0113L484 V487 S490 V491 L492 P515 Q516L484-R518 HydrophobicContact CD1-CB 4.43Å; L484-R518 PolarHBondContact O-NH1 3.4Å; L484-R518 VanDerWaalsContact O-NH1 3.16Å; L484-R518 PolarHBondContact O-NH2 3.38Å; V487-R518 PolarHBondContact O-NH2 2.94Å; V487-R518 VanDerWaalsContact O-NH2 3.13Å; S490-R518 VanDerWaalsContact O-CZ 3.22Å; S490-R518 PolarHBondContact O-NE 2.79Å; S490-R518 PolarHBondContact O-NH2 2.88Å; S490-R518 PolarHBondContact OG-NH2 2.81Å; V491-R518 CarbonylContact C-O 3.5Å; V491-R518 WeakPolarHBondContact CA-O 3.03Å; L492-R518 PolarHBondContact N-O 3Å; P515-R518 HydrophobicContact CG-CG 3.73Å; P515-R518 WeakPolarHBondContact O-CB 3.47Å; P515-R518 WeakPolarHBondContact O-CG 3.25Å; P515-R518 PolarHBondContact O-N 3.09Å; Q516-R518 PolarHBondContact O-N 3.29Å
519I98.8Very high98.3Very high5 Ų546.9 Ų46.93%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-123.4116.7178.6-51-176.2000109.3L492 L494 I505 Q506 A509 L514 Q516 N517 F521L492-I519 HydrophobicContact CB-CG1 4.39Å; L492-I519 HydrophobicContact CD2-CD1 4.4Å; L492-I519 HydrophobicContact CD2-CG1 4.47Å; L492-I519 CarbonylContact O-C 3.59Å; L492-I519 VanDerWaalsContact O-CA 3.3Å; L492-I519 WeakPolarHBondContact O-CA 3.5Å; L494-I519 HydrophobicContact CD1-CG2 3.93Å; L494-I519 HydrophobicContact CG-CG2 4.19Å; I505-I519 HydrophobicContact CG2-CD1 4.24Å; Q506-I519 PolarHBondContact NE2-O 2.96Å; Q506-I519 VanDerWaalsContact NE2-O 3.15Å; A509-I519 HydrophobicContact CB-CD1 3.45Å; A509-I519 VanDerWaalsContact CB-CD1 3.45Å; L514-I519 HydrophobicContact CD1-CD1 4.42Å; Q516-I519 PolarHBondContact O-N 3.31Å; N517-I519 VanDerWaalsContact C-N 3.34Å; I519-F521 HydrophobicContact CB-CE2 4.43Å; I519-F521 HydrophobicContact CG2-CD2 4Å; I519-F521 HydrophobicContact CG2-CE2 3.46Å; I519-F521 VanDerWaalsContact CG2-CE2 3.46Å; I519-F521 HydrophobicContact CG2-CZ 4.14Å
520I98.9Very high98.3Very high30 Ų3047.7 Ų47.715%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-106.3130.9-179.7-62172.1000108.5G455 L456 V491 L492 W493 L494G455-I520 WeakPolarHBondContact O-CD1 3.48Å; L456-I520 HydrophobicContact CD2-CB 4.33Å; L456-I520 HydrophobicContact CD2-CD1 3.98Å; L456-I520 HydrophobicContact CD2-CG2 4.12Å; V491-I520 HydrophobicContact CB-CD1 4.2Å; V491-I520 HydrophobicContact CG1-CD1 4.14Å; V491-I520 HydrophobicContact CG2-CD1 4.09Å; L492-I520 PolarHBondContact O-N 2.89Å; W493-I520 WeakPolarHBondContact CA-O 3.41Å; L494-I520 PolarHBondContact N-O 3.25Å
521F98.9Very high98.3Very high12 Ų1241.9 Ų41.95%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-108.5131.1177.5-79.1-95.6000111.7L469 L494 R496 E502 I505 Q506 I519L469-F521 HydrophobicContact CD1-CE1 4.5Å; L469-F521 HydrophobicContact CD2-CE1 4.46Å; L494-F521 HydrophobicContact CB-CD1 3.92Å; L494-F521 HydrophobicContact CB-CE1 3.63Å; L494-F521 HydrophobicContact CB-CZ 4.01Å; L494-F521 HydrophobicContact CD1-CE1 4.15Å; L494-F521 HydrophobicContact CD1-CE2 4.49Å; L494-F521 HydrophobicContact CD1-CZ 3.8Å; L494-F521 HydrophobicContact CG-CZ 4.49Å; L494-F521 WeakPolarHBondContact O-CA 3.31Å; R496-F521 HydrophobicContact CG-CB 4.09Å; R496-F521 HydrophobicContact CG-CD1 4.31Å; R496-F521 PolarHBondContact NH1-O 2.93Å; R496-F521 PolarHBondContact NH2-O 3.06Å; E502-F521 HydrophobicContact CB-CD1 3.98Å; E502-F521 HydrophobicContact CB-CD2 4.37Å; E502-F521 HydrophobicContact CB-CE1 3.95Å; E502-F521 HydrophobicContact CB-CE2 4.34Å; E502-F521 HydrophobicContact CB-CG 4.19Å; E502-F521 HydrophobicContact CB-CZ 4.13Å; E502-F521 HydrophobicContact CG-CB 4.37Å; E502-F521 HydrophobicContact CG-CD1 4.09Å; E502-F521 HydrophobicContact CG-CD2 3.64Å; E502-F521 HydrophobicContact CG-CE1 4.26Å; E502-F521 HydrophobicContact CG-CE2 3.82Å; E502-F521 HydrophobicContact CG-CG 3.77Å; E502-F521 HydrophobicContact CG-CZ 4.13Å; I505-F521 HydrophobicContact CB-CZ 4.01Å; I505-F521 HydrophobicContact CG2-CE2 4.4Å; I505-F521 HydrophobicContact CG2-CZ 3.87Å; Q506-F521 HydrophobicContact CG-CE2 4.16Å; I519-F521 HydrophobicContact CB-CE2 4.43Å; I519-F521 HydrophobicContact CG2-CD2 4Å; I519-F521 HydrophobicContact CG2-CE2 3.46Å; I519-F521 VanDerWaalsContact CG2-CE2 3.46Å; I519-F521 HydrophobicContact CG2-CZ 4.14Å
522S98.7Very high98.3Very high3 Ų336.7 Ų36.72%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-111.4155.3169.3-68.60000111.9W493 L494 L495 R496W493-S522 PolarHBondContact NE1-OG 3.36Å; L494-S522 PolarHBondContact O-N 3.1Å; L495-S522 CarbonylContact C-O 3.55Å; L495-S522 WeakPolarHBondContact CA-O 3.43Å; R496-S522 PolarHBondContact N-O 3.24Å
523P98.2Very high98.3Very high74 Ų7435.2 Ų35.248%0.48121%0.205SC..  trans-63157.617028.8-34.3000111.3A525 R533P523-A525 PolarHBondContact O-N 3.33Å; P523-R533 PolarHBondContact O-NH1 2.84Å; P523-R533 PolarHBondContact O-NH2 3.26Å
524V97.4Very high98.3Very high71 Ų7132.7 Ų32.743%0.4318%0.179SC..  trans-60.2133.8161.7-177.30000107.5F497F497-V524 HydrophobicContact CB-CG2 3.89Å; F497-V524 HydrophobicContact CD1-CG2 3.72Å; F497-V524 HydrophobicContact CD2-CG2 3.96Å; F497-V524 HydrophobicContact CE1-CG2 4.15Å; F497-V524 HydrophobicContact CE2-CG2 4.37Å; F497-V524 HydrophobicContact CG-CG2 3.6Å; F497-V524 HydrophobicContact CZ-CG2 4.46Å
525A97.6Very high98.3Very high14 Ų1432.4 Ų32.412%0.11618%0.178CC..  trans-112.6160.5-175.400000110.7P523 E529P523-A525 PolarHBondContact O-N 3.33Å; A525-E529 HydrophobicContact CB-CB 4.03Å; A525-E529 HydrophobicContact CB-CG 3.98Å
526P97.6Very high98.4Very high40 Ų4029 Ų2926%0.2616%0.155SC..  trans-50.6152.9166-23.633.2000111.6T430 A437 E528 E529 H530T430-P526 HydrophobicContact CG2-CB 4.39Å; T430-P526 HydrophobicContact CG2-CG 3.58Å; A437-P526 HydrophobicContact CB-CB 3.93Å; A437-P526 HydrophobicContact CB-CG 4.42Å; A437-P526 CarbonylContact O-C 3.59Å; A437-P526 VanDerWaalsContact O-CB 3.23Å; A437-P526 WeakPolarHBondContact O-CB 3.43Å; P526-E528 VanDerWaalsContact C-N 3.34Å; P526-E528 PolarHBondContact O-N 3.2Å; P526-E529 PolarHBondContact O-N 3.17Å; P526-E529 VanDerWaalsContact O-N 3.11Å; P526-H530 WeakPolarHBondContact O-CB 3.38Å; P526-H530 PolarHBondContact O-N 3.04Å
527K98.4Very high98.5Very high32 Ų3222 Ų2214%0.13912%0.123CC..Hα-helixtrans-57.3-43.5-169.3-176.467.1-175.5177.10112.9F331 A437 H530 V531 D554F331-K527 HydrophobicContact CZ-CG 3.87Å; A437-K527 PolarHBondContact O-N 3.48Å; K527-H530 PolarHBondContact O-N 3.44Å; K527-V531 WeakPolarHBondContact O-CG2 3.23Å; K527-V531 PolarHBondContact O-N 2.89Å; K527-V531 VanDerWaalsContact O-N 3.16Å; K527-D554 IonicContact NZ-OD1 3.23Å; K527-D554 PolarHBondContact NZ-OD1 3.46Å; K527-D554 IonicContact NZ-OD2 2.72Å; K527-D554 PolarHBondContact NZ-OD2 3.44Å
528E98.8Very high98.6Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-62.4-47.1177.5-174.1-76.9152.600111.7F331 H333 A436 A437 P443 P526 H530 V531 R532F331-E528 HydrophobicContact CD1-CB 4.5Å; F331-E528 HydrophobicContact CD1-CG 4.31Å; F331-E528 HydrophobicContact CE1-CB 4.15Å; F331-E528 HydrophobicContact CE1-CG 4.45Å; H333-E528 IonicContact CD2-OE1 3.39Å; H333-E528 IonicContact CE1-OE1 3.83Å; H333-E528 IonicContact NE2-OE1 3.21Å; H333-E528 PolarHBondContact NE2-OE1 3.47Å; A436-E528 VanDerWaalsContact O-CB 3.26Å; A436-E528 WeakPolarHBondContact O-CB 3.41Å; A437-E528 WeakPolarHBondContact O-CB 3.38Å; A437-E528 PolarHBondContact O-N 3.35Å; P443-E528 HydrophobicContact CG-CG 3.95Å; P526-E528 VanDerWaalsContact C-N 3.34Å; P526-E528 PolarHBondContact O-N 3.2Å; E528-H530 VanDerWaalsContact C-N 3.34Å; E528-H530 PolarHBondContact O-N 3.45Å; E528-V531 PolarHBondContact O-N 3.25Å; E528-R532 VanDerWaalsContact CD-NE 3.34Å; E528-R532 VanDerWaalsContact O-CB 3.23Å; E528-R532 WeakPolarHBondContact O-CB 3.12Å; E528-R532 PolarHBondContact O-N 3.18Å; E528-R532 VanDerWaalsContact OE1-CD 3.27Å; E528-R532 WeakPolarHBondContact OE1-CD 3.29Å; E528-R532 IonicContact OE1-CZ 2.8Å; E528-R532 IonicContact OE1-NE 2.69Å; E528-R532 PolarHBondContact OE1-NE 3.47Å; E528-R532 IonicContact OE2-CZ 3.32Å; E528-R532 IonicContact OE2-NE 3.04Å; E528-R532 PolarHBondContact OE2-NE 2.96Å; E528-R532 VanDerWaalsContact OE2-NE 3.07Å; E528-R532 IonicContact OE2-NH2 3.73Å; E528-R532 PolarHBondContact OE2-NH2 3.22Å
529E98.8Very high98.6Very high14 Ų1415.2 Ų15.27%0.0659%0.089CC..Hα-helixtrans-64.6-40.8179.4-175.5-166.6148.800111Y454 A525 P526 V531 R532 R533Y454-E529 WeakPolarHBondContact CE1-OE1 3.38Å; Y454-E529 VanDerWaalsContact OH-CD 3.31Å; Y454-E529 VanDerWaalsContact OH-CG 3.27Å; Y454-E529 WeakPolarHBondContact OH-CG 3.3Å; Y454-E529 PolarHBondContact OH-OE1 3.25Å; A525-E529 HydrophobicContact CB-CB 4.03Å; A525-E529 HydrophobicContact CB-CG 3.98Å; P526-E529 PolarHBondContact O-N 3.17Å; P526-E529 VanDerWaalsContact O-N 3.11Å; E529-V531 PolarHBondContact O-N 2.81Å; E529-R532 PolarHBondContact O-N 3.42Å; E529-R533 VanDerWaalsContact O-CB 3.31Å; E529-R533 WeakPolarHBondContact O-CB 3.32Å; E529-R533 VanDerWaalsContact O-CG 3.27Å; E529-R533 WeakPolarHBondContact O-CG 3.1Å; E529-R533 PolarHBondContact O-N 3.3Å
530H98.6Very high98.6Very high17 Ų1715.1 Ų15.18%0.0799%0.089CC..Hα-helixtrans-56.3-47.7177.1176.496.1000111.9P526 K527 E528 D554P526-H530 WeakPolarHBondContact O-CB 3.38Å; P526-H530 PolarHBondContact O-N 3.04Å; K527-H530 PolarHBondContact O-N 3.44Å; E528-H530 VanDerWaalsContact C-N 3.34Å; E528-H530 PolarHBondContact O-N 3.45Å; H530-D554 IonicContact CD2-OD2 3.57Å; H530-D554 IonicContact NE2-OD2 3.61Å; H530-D554 PolarHBondContact NE2-OD2 3.24Å
531V98.8Very high98.6Very high1 Ų113.8 Ų13.81%0.0068%0.082CC..Hα-helixtrans-69.2-49177.8179.20000110.1F331 L334 K527 E528 E529 R533 G534 D554 W557F331-V531 HydrophobicContact CD2-CB 4.44Å; F331-V531 HydrophobicContact CD2-CG1 4.11Å; F331-V531 HydrophobicContact CD2-CG2 4.25Å; F331-V531 HydrophobicContact CE2-CB 4.4Å; F331-V531 HydrophobicContact CE2-CG1 4.45Å; F331-V531 HydrophobicContact CE2-CG2 3.78Å; F331-V531 HydrophobicContact CZ-CG2 4.09Å; L334-V531 HydrophobicContact CD1-CB 4.39Å; L334-V531 HydrophobicContact CD1-CG1 3.72Å; K527-V531 WeakPolarHBondContact O-CG2 3.23Å; K527-V531 PolarHBondContact O-N 2.89Å; K527-V531 VanDerWaalsContact O-N 3.16Å; E528-V531 PolarHBondContact O-N 3.25Å; E529-V531 PolarHBondContact O-N 2.81Å; V531-R533 PolarHBondContact O-N 3.26Å; V531-G534 PolarHBondContact O-N 2.6Å; V531-G534 VanDerWaalsContact O-N 3.14Å; V531-D554 HydrophobicContact CG2-CB 3.95Å; V531-W557 HydrophobicContact CG1-CB 4.44Å
532R98.9Very high98.6Very high0 Ų013.2 Ų13.20%08%0.08CC..Hα-helixtrans-60.4-43.4-176.2176.81704671.62.4112.8L334 G426 T449 E528 E529 G534 Q535L334-R532 HydrophobicContact CD1-CB 4.18Å; L334-R532 HydrophobicContact CD2-CB 4.04Å; L334-R532 HydrophobicContact CD2-CG 3.91Å; G426-R532 PolarHBondContact O-NH2 2.83Å; T449-R532 HydrophobicContact CG2-CG 4.36Å; T449-R532 VanDerWaalsContact OG1-CD 3.28Å; T449-R532 WeakPolarHBondContact OG1-CD 3.29Å; T449-R532 WeakPolarHBondContact OG1-CG 3.45Å; T449-R532 PolarHBondContact OG1-NH1 3.33Å; E528-R532 VanDerWaalsContact CD-NE 3.34Å; E528-R532 VanDerWaalsContact O-CB 3.23Å; E528-R532 WeakPolarHBondContact O-CB 3.12Å; E528-R532 PolarHBondContact O-N 3.18Å; E528-R532 VanDerWaalsContact OE1-CD 3.27Å; E528-R532 WeakPolarHBondContact OE1-CD 3.29Å; E528-R532 IonicContact OE1-CZ 2.8Å; E528-R532 IonicContact OE1-NE 2.69Å; E528-R532 PolarHBondContact OE1-NE 3.47Å; E528-R532 IonicContact OE2-CZ 3.32Å; E528-R532 IonicContact OE2-NE 3.04Å; E528-R532 PolarHBondContact OE2-NE 2.96Å; E528-R532 VanDerWaalsContact OE2-NE 3.07Å; E528-R532 IonicContact OE2-NH2 3.73Å; E528-R532 PolarHBondContact OE2-NH2 3.22Å; E529-R532 PolarHBondContact O-N 3.42Å; R532-G534 PolarHBondContact O-N 2.99Å; R532-Q535 WeakPolarHBondContact O-CB 3.25Å; R532-Q535 WeakPolarHBondContact O-CG 3.36Å; R532-Q535 PolarHBondContact O-N 3.38Å; R532-Q535 VanDerWaalsContact O-N 3.14Å; R532-Q535 PolarHBondContact O-NE2 3.23Å
533R98.8Very high98.6Very high0 Ų013.1 Ų13.10%08%0.079CC..Hα-helixtrans-68.8-17-179.280.3-176.8177.7-177.5-6.3113.1T449 Y454 W493 P523 E529 V531 Q535 L536T449-R533 HydrophobicContact CG2-CB 4.38Å; Y454-R533 HydrophobicContact CE2-CB 3.83Å; W493-R533 HydrophobicContact CH2-CB 3.94Å; W493-R533 HydrophobicContact CH2-CG 3.72Å; W493-R533 HydrophobicContact CZ2-CG 4.23Å; W493-R533 WeakPolarHBondContact CZ3-O 3.4Å; P523-R533 PolarHBondContact O-NH1 2.84Å; P523-R533 PolarHBondContact O-NH2 3.26Å; E529-R533 VanDerWaalsContact O-CB 3.31Å; E529-R533 WeakPolarHBondContact O-CB 3.32Å; E529-R533 VanDerWaalsContact O-CG 3.27Å; E529-R533 WeakPolarHBondContact O-CG 3.1Å; E529-R533 PolarHBondContact O-N 3.3Å; V531-R533 PolarHBondContact O-N 3.26Å; R533-Q535 PolarHBondContact O-N 2.84Å; R533-Q535 VanDerWaalsContact O-N 3.14Å; R533-L536 WeakPolarHBondContact O-CB 3.29Å; R533-L536 PolarHBondContact O-N 3.1Å
534G98.7Very high98.6Very high1 Ų110.3 Ų10.31%0.016%0.061CC..G310 helixtrans-57.3-23.4169.700000113.6V531 R532 L536 A537 T560V531-G534 PolarHBondContact O-N 2.6Å; V531-G534 VanDerWaalsContact O-N 3.14Å; R532-G534 PolarHBondContact O-N 2.99Å; G534-L536 PolarHBondContact O-N 2.92Å; G534-A537 PolarHBondContact O-N 3.04Å; G534-T560 PolarHBondContact O-OG1 3.04Å
535Q98.9Very high98.7Very high1 Ų18.6 Ų8.61%0.0055%0.049CC..G310 helixtrans-65-22.5175.1-68.9173.9103.600113.1N351 N356 R532 R533 A558N351-Q535 WeakPolarHBondContact CB-O 3.44Å; N356-Q535 PolarHBondContact ND2-OE1 2.67Å; N356-Q535 PolarHBondContact OD1-NE2 2.8Å; N356-Q535 PolarHBondContact OD1-OE1 3.46Å; R532-Q535 WeakPolarHBondContact O-CB 3.25Å; R532-Q535 WeakPolarHBondContact O-CG 3.36Å; R532-Q535 PolarHBondContact O-N 3.38Å; R532-Q535 VanDerWaalsContact O-N 3.14Å; R532-Q535 PolarHBondContact O-NE2 3.23Å; R533-Q535 PolarHBondContact O-N 2.84Å; R533-Q535 VanDerWaalsContact O-N 3.14Å; Q535-A558 HydrophobicContact CG-CB 3.98Å; Q535-A558 WeakPolarHBondContact CG-O 3.25Å
536L98.9Very high98.7Very high0 Ų08 Ų80%04%0.043CC..G310 helixtrans-77.7-22.3-178.6-58.6179.5000113.3N351 V354 T449 T450 R451 Y454 L456 W493 R533 G534N351-L536 PolarHBondContact ND2-O 3.08Å; N351-L536 WeakPolarHBondContact O-CA 3.48Å; N351-L536 WeakPolarHBondContact O-CD2 3.47Å; V354-L536 HydrophobicContact CG2-CD2 4.16Å; T449-L536 HydrophobicContact CG2-CD1 3.88Å; T449-L536 HydrophobicContact CG2-CD2 4.1Å; T449-L536 HydrophobicContact CG2-CG 3.97Å; T450-L536 WeakPolarHBondContact O-CD1 3.45Å; R451-L536 HydrophobicContact CG-CB 4.27Å; R451-L536 HydrophobicContact CG-CD2 4.41Å; R451-L536 PolarHBondContact NE-O 3.3Å; R451-L536 VanDerWaalsContact NE-O 3.15Å; R451-L536 PolarHBondContact NH2-O 3.44Å; Y454-L536 HydrophobicContact CD2-CD1 3.48Å; Y454-L536 VanDerWaalsContact CD2-CD1 3.48Å; Y454-L536 HydrophobicContact CE2-CD1 3.65Å; L456-L536 HydrophobicContact CD1-CB 4.36Å; L456-L536 HydrophobicContact CD1-CD1 4.4Å; W493-L536 HydrophobicContact CH2-CD1 4.29Å; W493-L536 HydrophobicContact CZ3-CB 4.12Å; R533-L536 WeakPolarHBondContact O-CB 3.29Å; R533-L536 PolarHBondContact O-N 3.1Å; G534-L536 PolarHBondContact O-N 2.92Å
537A98.9Very high98.8Very high0 Ų06 Ų60%03%0.031CC..  trans-74.115317700000111N351 V462 C464 G534 T560 R613N351-A537 PolarHBondContact ND2-O 3.11Å; V462-A537 HydrophobicContact CG1-CB 4.28Å; C464-A537 HydrophobicContact CB-CB 3.87Å; C464-A537 WeakPolarHBondContact SG-CB 3.42Å; G534-A537 PolarHBondContact O-N 3.04Å; A537-T560 HydrophobicContact CB-CG2 4.08Å; A537-R613 PolarHBondContact O-NH1 3.31Å
538D98.9Very high98.8Very high4 Ų44.6 Ų4.62%0.0213%0.025CC..SBendtrans-87.8-45.2172.2-64.9-71.5000110.3N351 R352 R451 I461 V462 P561 L609 R613N351-D538 PolarHBondContact ND2-OD1 3.17Å; R352-D538 IonicContact NH1-OD1 2.82Å; R352-D538 PolarHBondContact NH1-OD1 3.38Å; R352-D538 IonicContact NH1-OD2 3.27Å; R451-D538 IonicContact CZ-OD2 3.78Å; R451-D538 IonicContact NH2-OD1 3.07Å; R451-D538 IonicContact NH2-OD2 3.21Å; R451-D538 PolarHBondContact NH2-OD2 2.84Å; I461-D538 WeakPolarHBondContact CA-OD2 3.46Å; I461-D538 HydrophobicContact CD1-CB 4.25Å; I461-D538 HydrophobicContact CG2-CB 4.12Å; V462-D538 PolarHBondContact N-OD2 2.89Å; V462-D538 PolarHBondContact O-N 3.24Å; D538-P561 WeakPolarHBondContact O-CD 3.43Å; D538-L609 HydrophobicContact CB-CD2 4.14Å; D538-R613 PolarHBondContact O-NH1 2.92Å
539V98.9Very high98.8Very high0 Ų05.8 Ų5.80%03%0.03CC..EExtended strand (participates in β ladder)trans-144.3140-176.3-179.50000110.1V462 Y463 C464 L541 P561 V563 L602 L609V462-V539 PolarHBondContact O-N 3.45Å; Y463-V539 CarbonylContact C-O 3.43Å; Y463-V539 WeakPolarHBondContact CA-O 3.42Å; Y463-V539 HydrophobicContact CD1-CB 3.76Å; Y463-V539 HydrophobicContact CD1-CG1 4.07Å; Y463-V539 HydrophobicContact CE1-CB 3.95Å; Y463-V539 HydrophobicContact CE1-CG1 4.19Å; Y463-V539 HydrophobicContact CE1-CG2 4.26Å; C464-V539 PolarHBondContact N-O 3.48Å; V539-L541 HydrophobicContact CG1-CD2 4.26Å; V539-P561 CarbonylContact C-O 3.59Å; V539-P561 WeakPolarHBondContact CA-O 3.43Å; V539-V563 HydrophobicContact CG1-CG2 3.82Å; V539-L602 HydrophobicContact CG1-CD1 4Å; V539-L602 HydrophobicContact CG2-CB 3.69Å; V539-L602 HydrophobicContact CG2-CD1 4.05Å; V539-L602 HydrophobicContact CG2-CG 4.38Å; V539-L609 HydrophobicContact CG2-CD1 3.74Å
540C99Very high98.7Very high4 Ų46.2 Ų6.23%0.0273%0.034CC..EExtended strand (participates in β ladder)trans-93131.2167.5-176.50000109.9C464 V555 T560 P561 M562 V563C464-C540 CarbonylContact O-C 3.6Å; C464-C540 VanDerWaalsContact O-CA 3.31Å; C464-C540 WeakPolarHBondContact O-CA 3.48Å; C540-V555 HydrophobicContact CB-CB 4.47Å; C540-V555 HydrophobicContact CB-CG1 4.11Å; C540-V555 HydrophobicContact CB-CG2 3.64Å; C540-T560 HydrophobicContact CB-CG2 4.27Å; C540-P561 PolarHBondContact N-O 2.97Å; C540-M562 HydrophobicContact CB-CB 4.02Å; C540-M562 HydrophobicContact CB-CG 4.07Å; C540-M562 CarbonylContact O-C 3.47Å; C540-M562 WeakPolarHBondContact O-CA 3.45Å; C540-V563 PolarHBondContact O-N 3.3Å
541L99Very high98.7Very high1 Ų16.6 Ų6.61%0.0054%0.038CC..EExtended strand (participates in β ladder)trans-102.1100.3173.4-66.2-173.2000108Y463 C464 N465 W480 I483 L492 V539 V563 Y595 A599Y463-L541 HydrophobicContact CD1-CD1 3.83Å; Y463-L541 HydrophobicContact CD1-CD2 3.8Å; Y463-L541 HydrophobicContact CD1-CG 3.72Å; Y463-L541 HydrophobicContact CE1-CD2 4.25Å; Y463-L541 HydrophobicContact CG-CD1 3.85Å; Y463-L541 HydrophobicContact CG-CG 4.13Å; C464-L541 PolarHBondContact O-N 3.23Å; N465-L541 WeakPolarHBondContact CB-O 3.48Å; N465-L541 PolarHBondContact ND2-O 3.09Å; W480-L541 HydrophobicContact CG-CD1 4.14Å; W480-L541 HydrophobicContact CZ2-CB 4.38Å; W480-L541 WeakPolarHBondContact CZ2-O 3.46Å; I483-L541 HydrophobicContact CD1-CD1 4.03Å; I483-L541 HydrophobicContact CD1-CD2 4.3Å; L492-L541 HydrophobicContact CD1-CD1 4.43Å; V539-L541 HydrophobicContact CG1-CD2 4.26Å; L541-V563 HydrophobicContact CD2-CB 4.34Å; L541-V563 HydrophobicContact CD2-CG2 4.46Å; L541-Y595 WeakPolarHBondContact CA-OH 3.25Å; L541-Y595 WeakPolarHBondContact CB-OH 3.47Å; L541-Y595 HydrophobicContact CD2-CE1 4.18Å; L541-A599 HydrophobicContact CD2-CB 3.69Å
542D98.9Very high98.7Very high1 Ų16.6 Ų6.61%0.0054%0.038CC..  trans-67.4160.2-178.8-174.137.3000112.3P544 N547 G548 M562 V563 T564 A575 Y595D542-P544 WeakPolarHBondContact O-CD 3.33Å; D542-N547 WeakPolarHBondContact OD1-CA 3.35Å; D542-N547 VanDerWaalsContact OD2-CB 3.24Å; D542-N547 WeakPolarHBondContact OD2-CB 3.48Å; D542-N547 PolarHBondContact OD2-ND2 3.06Å; D542-G548 PolarHBondContact OD1-N 2.96Å; D542-M562 HydrophobicContact CB-CG 3.93Å; D542-M562 HydrophobicContact CB-SD 4.11Å; D542-V563 WeakPolarHBondContact CB-O 3.49Å; D542-V563 PolarHBondContact N-O 2.97Å; D542-T564 WeakPolarHBondContact OD2-CB 3.01Å; D542-T564 PolarHBondContact OD2-OG1 3.39Å; D542-A575 WeakPolarHBondContact OD2-CB 3.46Å; D542-Y595 PolarHBondContact N-OH 2.94Å; D542-Y595 PolarHBondContact O-OH 3.36Å
543T98.9Very high98.7Very high0 Ų06.6 Ų6.60%04%0.038CC..  trans-92.5113.3178.134.50000110.3K471 I472 T476 W480 L545 C546 N547K471-T543 HydrophobicContact CB-CG2 4Å; K471-T543 WeakPolarHBondContact O-CB 3.49Å; K471-T543 WeakPolarHBondContact O-CG2 3.49Å; I472-T543 HydrophobicContact CG1-CG2 3.91Å; T476-T543 HydrophobicContact CG2-CG2 4.27Å; W480-T543 HydrophobicContact CH2-CG2 3.92Å; W480-T543 HydrophobicContact CZ2-CG2 3.96Å; T543-L545 VanDerWaalsContact C-N 3.31Å; T543-L545 PolarHBondContact O-N 3.44Å; T543-C546 VanDerWaalsContact CB-O 3.31Å; T543-C546 WeakPolarHBondContact CB-O 3.36Å; T543-C546 CarbonylContact O-C 3.56Å; T543-C546 PolarHBondContact O-N 3.29Å; T543-C546 PolarHBondContact OG1-O 3.38Å; T543-N547 WeakPolarHBondContact O-CA 3.3Å; T543-N547 PolarHBondContact O-N 3.28Å; T543-N547 PolarHBondContact O-ND2 3.26Å; T543-N547 VanDerWaalsContact O-ND2 3.08Å
544P98.8Very high98.7Very high16 Ų166.8 Ų6.810%0.1044%0.039CC..SBendtrans-66.3-28.3-178.5-23.935.4000114.5M479 D542 M565 S572M479-P544 HydrophobicContact CE-CG 3.82Å; D542-P544 WeakPolarHBondContact O-CD 3.33Å; P544-M565 HydrophobicContact CB-CB 4.38Å; P544-M565 HydrophobicContact CB-CE 3.6Å; P544-M565 HydrophobicContact CG-CB 4.25Å; P544-M565 HydrophobicContact CG-CE 3.85Å; P544-S572 VanDerWaalsContact O-CB 3.29Å; P544-S572 WeakPolarHBondContact O-CB 3.17Å
545L98.5Very high98.7Very high34 Ų346.9 Ų6.918%0.1784%0.039CC..SBendtrans-62.1-45.7179.5-179.464000112L131 D473 T543L131-L545 HydrophobicContact CB-CD2 4.46Å; L131-L545 HydrophobicContact CD2-CD2 4.13Å; L131-L545 HydrophobicContact CD2-CG 4.31Å; D473-L545 HydrophobicContact CB-CD2 4.04Å; T543-L545 VanDerWaalsContact C-N 3.31Å; T543-L545 PolarHBondContact O-N 3.44Å
546C98.7Very high98.7Very high1 Ų16.9 Ų6.91%0.0074%0.039CC..SBendtrans-152.8120.3175.2173.30000105.9L131 K471 T543L131-C546 HydrophobicContact CD2-CB 4.13Å; K471-C546 HydrophobicContact CB-CB 4.46Å; K471-C546 HydrophobicContact CD-CB 4.08Å; K471-C546 VanDerWaalsContact CD-O 3.29Å; K471-C546 WeakPolarHBondContact CD-O 3.22Å; K471-C546 HydrophobicContact CG-CB 4.16Å; T543-C546 VanDerWaalsContact CB-O 3.31Å; T543-C546 WeakPolarHBondContact CB-O 3.36Å; T543-C546 CarbonylContact O-C 3.56Å; T543-C546 PolarHBondContact O-N 3.29Å; T543-C546 PolarHBondContact OG1-O 3.38Å
547N98.8Very high98.7Very high0 Ų07 Ų70%04%0.039CC..  trans-71.7166.4-172.4-56.4152.8000112.2K471 D542 T543 H549 A571 S572 R573 V574 A575K471-N547 PolarHBondContact NZ-O 2.9Å; D542-N547 WeakPolarHBondContact OD1-CA 3.35Å; D542-N547 VanDerWaalsContact OD2-CB 3.24Å; D542-N547 WeakPolarHBondContact OD2-CB 3.48Å; D542-N547 PolarHBondContact OD2-ND2 3.06Å; T543-N547 WeakPolarHBondContact O-CA 3.3Å; T543-N547 PolarHBondContact O-N 3.28Å; T543-N547 PolarHBondContact O-ND2 3.26Å; T543-N547 VanDerWaalsContact O-ND2 3.08Å; N547-H549 PolarHBondContact O-CD2 3.04Å; N547-H549 VanDerWaalsContact O-CD2 3.26Å; N547-H549 PolarHBondContact O-N 3.24Å; N547-H549 VanDerWaalsContact O-N 3.16Å; N547-A571 PolarHBondContact N-O 2.97Å; N547-S572 PolarHBondContact ND2-O 3.03Å; N547-S572 PolarHBondContact OD1-O 3.42Å; N547-R573 VanDerWaalsContact OD1-C 3.32Å; N547-R573 WeakPolarHBondContact OD1-CA 3.35Å; N547-R573 PolarHBondContact OD1-N 3.06Å; N547-R573 VanDerWaalsContact OD1-N 3.12Å; N547-V574 PolarHBondContact OD1-N 3.3Å; N547-V574 VanDerWaalsContact OD1-N 3.09Å; N547-A575 HydrophobicContact CB-CB 3.72Å; N547-A575 PolarHBondContact OD1-N 3.15Å
548G98Very high98.7Very high1 Ų17 Ų71%0.014%0.04CC..  trans-63.5105.1156.700000111N467 D542 G552N467-G548 VanDerWaalsContact OD1-CA 3.25Å; N467-G548 WeakPolarHBondContact OD1-CA 3.21Å; D542-G548 PolarHBondContact OD1-N 2.96Å; G548-G552 VanDerWaalsContact O-CA 3.3Å; G548-G552 WeakPolarHBondContact O-CA 3.18Å; G548-G552 PolarHBondContact O-N 2.91Å
549H98.6Very high98.6Very high25 Ų256.9 Ų6.912%0.1164%0.039CC..SBendtrans-79.4-87.8173.8-57.2164.3000108.9P285 F323 N547 T551 G552 M553 A571 V574 Q578P285-H549 VanDerWaalsContact CB-CE1 3.48Å; P285-H549 WeakPolarHBondContact CB-CE1 3.48Å; F323-H549 WeakPolarHBondContact CE1-O 3.28Å; F323-H549 HydrophobicContact CE2-CB 3.75Å; F323-H549 VanDerWaalsContact CZ-C 3.41Å; F323-H549 HydrophobicContact CZ-CB 3.57Å; N547-H549 PolarHBondContact O-CD2 3.04Å; N547-H549 VanDerWaalsContact O-CD2 3.26Å; N547-H549 PolarHBondContact O-N 3.24Å; N547-H549 VanDerWaalsContact O-N 3.16Å; H549-T551 VanDerWaalsContact C-N 3.27Å; H549-T551 PolarHBondContact O-N 3.3Å; H549-G552 PolarHBondContact O-N 2.9Å; H549-M553 PolarHBondContact O-N 3.21Å; H549-A571 PolarHBondContact NE2-O 2.91Å; H549-V574 HydrophobicContact CB-CG1 4.45Å; H549-Q578 PolarHBondContact O-NE2 2.96Å
550T98Very high98.6Very high24 Ų246.9 Ų6.915%0.1474%0.039CC..Hα-helixtrans-56.2-42.5170-530000111.7P188 L192 G552 M553 D554P188-T550 HydrophobicContact CB-CG2 4.29Å; L192-T550 HydrophobicContact CD2-CG2 4.09Å; T550-G552 PolarHBondContact O-N 2.97Å; T550-M553 WeakPolarHBondContact O-CB 3.41Å; T550-M553 PolarHBondContact O-N 3.5Å; T550-M553 VanDerWaalsContact O-N 3.12Å; T550-D554 PolarHBondContact O-N 3.44Å
551T97.9Very high98.6Very high25 Ų256.7 Ų6.715%0.1534%0.038CC..Hα-helixtrans-63-29.9177.9-510000112.6F466 H549 D554 V555F466-T551 HydrophobicContact CB-CG2 3.83Å; H549-T551 VanDerWaalsContact C-N 3.27Å; H549-T551 PolarHBondContact O-N 3.3Å; T551-D554 PolarHBondContact O-N 3Å; T551-V555 PolarHBondContact O-N 2.91Å; T551-V555 VanDerWaalsContact O-N 3.09Å
552G98.5Very high98.6Very high0 Ų06.7 Ų6.70%04%0.038CC..Hα-helixtrans-64.8-47172.300000111.3G548 H549 T550 D554 V555 L556G548-G552 VanDerWaalsContact O-CA 3.3Å; G548-G552 WeakPolarHBondContact O-CA 3.18Å; G548-G552 PolarHBondContact O-N 2.91Å; H549-G552 PolarHBondContact O-N 2.9Å; T550-G552 PolarHBondContact O-N 2.97Å; G552-D554 VanDerWaalsContact C-N 3.33Å; G552-D554 PolarHBondContact O-N 2.9Å; G552-V555 VanDerWaalsContact O-CG1 3.29Å; G552-V555 WeakPolarHBondContact O-CG1 3.33Å; G552-V555 PolarHBondContact O-N 3.43Å; G552-L556 WeakPolarHBondContact O-CB 3.36Å; G552-L556 VanDerWaalsContact O-CG 3.23Å; G552-L556 WeakPolarHBondContact O-CG 3.34Å; G552-L556 PolarHBondContact O-N 3.38Å
553M98.9Very high98.6Very high0 Ų06.6 Ų6.60%04%0.038CC..Hα-helixtrans-62.3-40.8174.2-57.4-59-75.700112.1F323 H327 H549 T550 V555 L556 W557 Q578 L625 F626F323-M553 HydrophobicContact CD1-CG 3.41Å; F323-M553 VanDerWaalsContact CD1-CG 3.41Å; F323-M553 HydrophobicContact CD1-SD 3.76Å; F323-M553 HydrophobicContact CE1-CG 3.46Å; F323-M553 VanDerWaalsContact CE1-CG 3.46Å; F323-M553 HydrophobicContact CE1-SD 4.41Å; H327-M553 VanDerWaalsContact CE1-CB 3.42Å; H327-M553 WeakPolarHBondContact CE1-CB 3.5Å; H549-M553 PolarHBondContact O-N 3.21Å; T550-M553 WeakPolarHBondContact O-CB 3.41Å; T550-M553 PolarHBondContact O-N 3.5Å; T550-M553 VanDerWaalsContact O-N 3.12Å; M553-V555 PolarHBondContact O-N 3.31Å; M553-L556 PolarHBondContact O-N 3.27Å; M553-W557 WeakPolarHBondContact O-CB 3.37Å; M553-W557 PolarHBondContact O-N 3.09Å; M553-Q578 HydrophobicContact SD-CG 3.87Å; M553-L625 HydrophobicContact CE-CD1 3.68Å; M553-L625 HydrophobicContact CE-CD2 4.3Å; M553-L625 HydrophobicContact CE-CG 3.61Å; M553-L625 WeakPolarHBondContact CE-O 3.46Å; M553-L625 HydrophobicContact SD-CD1 3.79Å; M553-L625 HydrophobicContact SD-CD2 4.25Å; M553-L625 HydrophobicContact SD-CG 4.05Å; M553-F626 HydrophobicContact CB-CE1 4.06Å; M553-F626 HydrophobicContact CB-CZ 4.33Å; M553-F626 HydrophobicContact CE-CD1 3.79Å; M553-F626 HydrophobicContact CE-CE1 3.47Å; M553-F626 VanDerWaalsContact CE-CE1 3.47Å; M553-F626 HydrophobicContact CE-CE2 4.39Å; M553-F626 HydrophobicContact CE-CG 4.39Å; M553-F626 HydrophobicContact CE-CZ 3.79Å; M553-F626 WeakPolarHBondContact O-CZ 3.5Å; M553-F626 HydrophobicContact SD-CE1 4.49Å; M553-F626 HydrophobicContact SD-CZ 4.43Å
554D98.8Very high98.6Very high5 Ų56.6 Ų6.63%0.0274%0.038CC..Hα-helixtrans-57.9-47.2178.1-65.1-21000111.5H327 K527 H530 V531 T550 T551 G552 A558H327-D554 IonicContact CD2-OD1 2.71Å; H327-D554 IonicContact CE1-OD1 2.77Å; H327-D554 IonicContact NE2-OD1 3.77Å; H327-D554 PolarHBondContact NE2-OD1 3.28Å; K527-D554 IonicContact NZ-OD1 3.23Å; K527-D554 PolarHBondContact NZ-OD1 3.46Å; K527-D554 IonicContact NZ-OD2 2.72Å; K527-D554 PolarHBondContact NZ-OD2 3.44Å; H530-D554 IonicContact CD2-OD2 3.57Å; H530-D554 IonicContact NE2-OD2 3.61Å; H530-D554 PolarHBondContact NE2-OD2 3.24Å; V531-D554 HydrophobicContact CG2-CB 3.95Å; T550-D554 PolarHBondContact O-N 3.44Å; T551-D554 PolarHBondContact O-N 3Å; G552-D554 VanDerWaalsContact C-N 3.33Å; G552-D554 PolarHBondContact O-N 2.9Å; D554-A558 PolarHBondContact O-N 3.37Å
555V98.8Very high98.6Very high3 Ų37.3 Ų7.32%0.0184%0.04CC..Hα-helixtrans-75.4-35.1-177.474.30000112.9C540 T551 G552 M553 A558 G559 T560 M562C540-V555 HydrophobicContact CB-CB 4.47Å; C540-V555 HydrophobicContact CB-CG1 4.11Å; C540-V555 HydrophobicContact CB-CG2 3.64Å; T551-V555 PolarHBondContact O-N 2.91Å; T551-V555 VanDerWaalsContact O-N 3.09Å; G552-V555 VanDerWaalsContact O-CG1 3.29Å; G552-V555 WeakPolarHBondContact O-CG1 3.33Å; G552-V555 PolarHBondContact O-N 3.43Å; M553-V555 PolarHBondContact O-N 3.31Å; V555-A558 WeakPolarHBondContact O-CB 3.49Å; V555-A558 PolarHBondContact O-N 3.42Å; V555-G559 PolarHBondContact O-N 2.8Å; V555-T560 HydrophobicContact CG2-CG2 3.72Å; V555-T560 PolarHBondContact O-N 3.35Å; V555-T560 VanDerWaalsContact O-N 3.12Å; V555-M562 HydrophobicContact CG1-CB 4.32Å; V555-M562 HydrophobicContact CG1-SD 3.9Å
556L98.9Very high98.7Very high0 Ų07.3 Ų7.30%04%0.042CC..Hα-helixtrans-69-34.9174.7-66.8177.9000111.5G552 M553 A558 G559 M562 Q578 L579 L582 V616 L625 F626G552-L556 WeakPolarHBondContact O-CB 3.36Å; G552-L556 VanDerWaalsContact O-CG 3.23Å; G552-L556 WeakPolarHBondContact O-CG 3.34Å; G552-L556 PolarHBondContact O-N 3.38Å; M553-L556 PolarHBondContact O-N 3.27Å; L556-A558 VanDerWaalsContact C-N 3.31Å; L556-A558 PolarHBondContact O-N 2.89Å; L556-G559 WeakPolarHBondContact O-CA 3.35Å; L556-G559 PolarHBondContact O-N 3.43Å; L556-M562 HydrophobicContact CD1-CE 4.15Å; L556-M562 HydrophobicContact CD2-CB 4.12Å; L556-M562 HydrophobicContact CG-CE 4.35Å; L556-Q578 HydrophobicContact CD1-CB 4.1Å; L556-L579 HydrophobicContact CD2-CD2 3.98Å; L556-L582 HydrophobicContact CD1-CD2 4.27Å; L556-L582 HydrophobicContact CD2-CD2 3.81Å; L556-L582 HydrophobicContact CG-CD2 4.47Å; L556-V616 HydrophobicContact CD2-CG1 4.25Å; L556-L625 HydrophobicContact CD1-CD2 3.78Å; L556-F626 HydrophobicContact CB-CE2 4.33Å; L556-F626 HydrophobicContact CB-CZ 4.19Å
557W98.9Very high98.6Very high2 Ų28.6 Ų8.61%0.0086%0.055CC..Hα-helixtrans-65.1-35.4174.3-171.8-109.7000112.5H327 A328 F331 K335 V531 M553 G559 R620 I621 F626H327-W557 HydrophobicContact CB-CB 3.96Å; H327-W557 HydrophobicContact CB-CD2 3.42Å; H327-W557 VanDerWaalsContact CB-CD2 3.42Å; H327-W557 HydrophobicContact CB-CE3 3.89Å; H327-W557 HydrophobicContact CB-CG 3.44Å; H327-W557 VanDerWaalsContact CB-CG 3.44Å; H327-W557 AromaticContact CD2-CG 4Å; H327-W557 WeakPolarHBondContact O-CZ2 3.4Å; A328-W557 HydrophobicContact CB-CH2 3.63Å; A328-W557 HydrophobicContact CB-CZ2 4.29Å; A328-W557 HydrophobicContact CB-CZ3 4.12Å; F331-W557 PolarHBondContact O-NE1 3.33Å; K335-W557 HydrophobicContact CG-CH2 4.18Å; K335-W557 HydrophobicContact CG-CZ2 3.89Å; V531-W557 HydrophobicContact CG1-CB 4.44Å; M553-W557 WeakPolarHBondContact O-CB 3.37Å; M553-W557 PolarHBondContact O-N 3.09Å; W557-G559 PolarHBondContact O-N 3.27Å; W557-R620 HydrophobicContact CE3-CB 4.48Å; W557-R620 VanDerWaalsContact O-CD 3.31Å; W557-R620 WeakPolarHBondContact O-CD 3.47Å; W557-R620 PolarHBondContact O-NH1 3.34Å; W557-I621 HydrophobicContact CH2-CD1 3.82Å; W557-I621 HydrophobicContact CZ3-CD1 4.06Å; W557-F626 HydrophobicContact CB-CE1 4.01Å; W557-F626 HydrophobicContact CB-CZ 3.88Å; W557-F626 HydrophobicContact CD2-CD1 4.49Å; W557-F626 HydrophobicContact CD2-CE1 4.43Å; W557-F626 HydrophobicContact CE3-CB 4.16Å; W557-F626 AromaticContact CE3-CD1 3.65Å; W557-F626 HydrophobicContact CE3-CD1 3.65Å; W557-F626 AromaticContact CE3-CD2 3.71Å; W557-F626 HydrophobicContact CE3-CD2 3.71Å; W557-F626 AromaticContact CE3-CE1 3.86Å; W557-F626 HydrophobicContact CE3-CE1 3.86Å; W557-F626 AromaticContact CE3-CE2 3.93Å; W557-F626 HydrophobicContact CE3-CE2 3.93Å; W557-F626 AromaticContact CE3-CG 3.57Å; W557-F626 HydrophobicContact CE3-CG 3.57Å; W557-F626 AromaticContact CE3-CZ 4Å; W557-F626 HydrophobicContact CE3-CZ 4Å; W557-F626 HydrophobicContact CZ3-CB 3.78Å; W557-F626 HydrophobicContact CZ3-CD1 4.14Å; W557-F626 HydrophobicContact CZ3-CD2 4.01Å; W557-F626 AromaticContact CZ3-CG 3.72Å; W557-F626 HydrophobicContact CZ3-CG 3.72Å
558A98.8Very high98.6Very high1 Ų114.4 Ų14.41%0.0088%0.082CC..THydrogen-bonded Turntrans-67.4-8.6171.200000113.3Q535 D554 V555 L556 W617Q535-A558 HydrophobicContact CG-CB 3.98Å; Q535-A558 WeakPolarHBondContact CG-O 3.25Å; D554-A558 PolarHBondContact O-N 3.37Å; V555-A558 WeakPolarHBondContact O-CB 3.49Å; V555-A558 PolarHBondContact O-N 3.42Å; L556-A558 VanDerWaalsContact C-N 3.31Å; L556-A558 PolarHBondContact O-N 2.89Å; A558-W617 WeakPolarHBondContact O-CZ3 3.46Å
559G98.4Very high98.6Very high1 Ų115 Ų151%0.019%0.086CC..THydrogen-bonded Turntrans77.223.5-178.800000113.9V555 L556 W557V555-G559 PolarHBondContact O-N 2.8Å; L556-G559 WeakPolarHBondContact O-CA 3.35Å; L556-G559 PolarHBondContact O-N 3.43Å; W557-G559 PolarHBondContact O-N 3.27Å
560T98.9Very high98.6Very high0 Ų014.1 Ų14.10%08%0.082CC..  trans-95.2121.5-179.1-66.60000109.7G534 A537 C540 V555 M562G534-T560 PolarHBondContact O-OG1 3.04Å; A537-T560 HydrophobicContact CB-CG2 4.08Å; C540-T560 HydrophobicContact CB-CG2 4.27Å; V555-T560 HydrophobicContact CG2-CG2 3.72Å; V555-T560 PolarHBondContact O-N 3.35Å; V555-T560 VanDerWaalsContact O-N 3.12Å; T560-M562 PolarHBondContact O-N 2.88Å
561P98.9Very high98.7Very high0 Ų013 Ų130%08%0.075CC..  trans-55.3135174.7-24.733.6000111.4D538 V539 C540 L587 V612 R613 V616D538-P561 WeakPolarHBondContact O-CD 3.43Å; V539-P561 CarbonylContact C-O 3.59Å; V539-P561 WeakPolarHBondContact CA-O 3.43Å; C540-P561 PolarHBondContact N-O 2.97Å; P561-L587 HydrophobicContact CB-CD1 3.89Å; P561-V612 HydrophobicContact CB-CG1 3.81Å; P561-V612 HydrophobicContact CG-CB 4.48Å; P561-V612 HydrophobicContact CG-CG1 3.77Å; P561-R613 HydrophobicContact CG-CB 4.36Å; P561-R613 HydrophobicContact CG-CG 3.63Å; P561-V616 HydrophobicContact CB-CG2 4.3Å; P561-V616 HydrophobicContact CG-CG2 4.15Å
562M99Very high98.7Very high1 Ų112 Ų121%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-116.6121.8178.2-179.3172.263.500109.4C540 D542 V555 L556 T560 A575 L579 L587C540-M562 HydrophobicContact CB-CB 4.02Å; C540-M562 HydrophobicContact CB-CG 4.07Å; C540-M562 CarbonylContact O-C 3.47Å; C540-M562 WeakPolarHBondContact O-CA 3.45Å; D542-M562 HydrophobicContact CB-CG 3.93Å; D542-M562 HydrophobicContact CB-SD 4.11Å; V555-M562 HydrophobicContact CG1-CB 4.32Å; V555-M562 HydrophobicContact CG1-SD 3.9Å; L556-M562 HydrophobicContact CD1-CE 4.15Å; L556-M562 HydrophobicContact CD2-CB 4.12Å; L556-M562 HydrophobicContact CG-CE 4.35Å; T560-M562 PolarHBondContact O-N 2.88Å; M562-A575 HydrophobicContact CE-CB 3.64Å; M562-A575 HydrophobicContact SD-CB 4.42Å; M562-L579 HydrophobicContact CE-CD1 4.43Å; M562-L579 HydrophobicContact CE-CG 4.34Å; M562-L579 WeakPolarHBondContact O-CD1 3.3Å; M562-L587 VanDerWaalsContact O-CB 3.32Å; M562-L587 WeakPolarHBondContact O-CB 3.4Å
563V99Very high98.7Very high0 Ų014 Ų140%08%0.077CC..EExtended strand (participates in β ladder)trans-89.8128.7172.9-174.40000108.1V539 C540 L541 D542 L587 Y595 I598 L602V539-V563 HydrophobicContact CG1-CG2 3.82Å; C540-V563 PolarHBondContact O-N 3.3Å; L541-V563 HydrophobicContact CD2-CB 4.34Å; L541-V563 HydrophobicContact CD2-CG2 4.46Å; D542-V563 WeakPolarHBondContact CB-O 3.49Å; D542-V563 PolarHBondContact N-O 2.97Å; V563-L587 HydrophobicContact CG2-CD2 4.37Å; V563-Y595 HydrophobicContact CB-CE2 4.23Å; V563-Y595 HydrophobicContact CG1-CD2 3.71Å; V563-Y595 HydrophobicContact CG1-CE2 3.77Å; V563-Y595 HydrophobicContact CG1-CG 4.11Å; V563-Y595 WeakPolarHBondContact O-CE2 3.23Å; V563-I598 HydrophobicContact CG1-CB 4.18Å; V563-I598 HydrophobicContact CG1-CG2 3.92Å; V563-I598 HydrophobicContact CG2-CG2 3.78Å; V563-L602 HydrophobicContact CG2-CD1 3.7Å
564T99Very high98.7Very high0 Ų014 Ų140%08%0.077CC..BIsolated β-bridgetrans-133.1161.6177.9-166.80000111.6D542 A575 A576 L579 L587 I588 A589D542-T564 WeakPolarHBondContact OD2-CB 3.01Å; D542-T564 PolarHBondContact OD2-OG1 3.39Å; T564-A575 HydrophobicContact CG2-CB 4.05Å; T564-A575 WeakPolarHBondContact OG1-CB 3.35Å; T564-A576 HydrophobicContact CG2-CB 4.06Å; T564-L579 HydrophobicContact CG2-CD1 3.57Å; T564-L587 PolarHBondContact N-O 3.26Å; T564-I588 HydrophobicContact CG2-CG1 4.41Å; T564-A589 PolarHBondContact O-N 3.44Å
565M98.9Very high98.7Very high30 Ų3013.8 Ų13.815%0.1488%0.075CC..  trans-132.197.4173.7-178.7-177.971.400107.7P544 G567 A589 R592 Y595P544-M565 HydrophobicContact CB-CB 4.38Å; P544-M565 HydrophobicContact CB-CE 3.6Å; P544-M565 HydrophobicContact CG-CB 4.25Å; P544-M565 HydrophobicContact CG-CE 3.85Å; M565-G567 PolarHBondContact O-N 2.96Å; M565-A589 HydrophobicContact CB-CB 4.35Å; M565-R592 HydrophobicContact CE-CG 3.87Å; M565-R592 HydrophobicContact SD-CB 4.41Å; M565-R592 HydrophobicContact SD-CG 3.82Å; M565-R592 PolarHBondContact SD-N 2.79Å; M565-Y595 HydrophobicContact CB-CD2 3.84Å
566P98.8Very high98.7Very high35 Ų3513.7 Ų13.723%0.2278%0.075CC..  trans-61.2128.1-177.622.7-33.2000111.2S572 R573 A576 I588 A589P566-S572 VanDerWaalsContact CA-O 3.3Å; P566-S572 WeakPolarHBondContact CA-O 3.49Å; P566-R573 HydrophobicContact CB-CG 4.1Å; P566-A576 HydrophobicContact CB-CB 3.78Å; P566-A576 HydrophobicContact CG-CB 3.88Å; P566-I588 HydrophobicContact CG-CG2 3.81Å; P566-A589 WeakPolarHBondContact CD-O 3.37Å
567G97.9Very high98.7Very high27 Ų2713.7 Ų13.728%0.2788%0.075SC..  trans-85.9-148.8169.100000112M565 S572 R573M565-G567 PolarHBondContact O-N 2.96Å; G567-S572 VanDerWaalsContact C-OG 3.3Å; G567-S572 VanDerWaalsContact CA-OG 3.23Å; G567-S572 WeakPolarHBondContact CA-OG 3.09Å; G567-S572 PolarHBondContact N-O 2.93Å; G567-S572 PolarHBondContact N-OG 3.33Å; G567-R573 VanDerWaalsContact O-CD 3.26Å; G567-R573 WeakPolarHBondContact O-CD 3.36Å; G567-R573 WeakPolarHBondContact O-CG 3.37Å; G567-R573 PolarHBondContact O-NH1 2.92Å
568E98.3Very high98.7Very high123 Ų12313.6 Ų13.658%0.5758%0.075SC*.SBendtrans-104.2-33.1179.8-63.7179.1-141.800113.4H136 Q310 S572H136-E568 IonicContact CD2-OE2 2.83Å; H136-E568 IonicContact CE1-OE2 3.55Å; H136-E568 IonicContact NE2-OE2 3.64Å; H136-E568 PolarHBondContact NE2-OE2 3.37Å; Q310-E568 PolarHBondContact NE2-O 3.45Å; Q310-E568 VanDerWaalsContact NE2-O 3.13Å; E568-S572 PolarHBondContact N-OG 2.91Å
569T98.6Very high98.7Very high13 Ų1313.6 Ų13.68%0.088%0.075CC..SBendtrans-73.4150.4179.870.90000110.4A571 S572 R573T569-A571 VanDerWaalsContact C-N 3.26Å; T569-A571 PolarHBondContact O-N 3.01Å; T569-S572 PolarHBondContact N-OG 2.9Å; T569-S572 VanDerWaalsContact N-OG 3.1Å; T569-S572 PolarHBondContact O-N 3.06Å; T569-S572 PolarHBondContact O-OG 3.39Å; T569-S572 WeakPolarHBondContact OG1-CB 3.47Å; T569-S572 PolarHBondContact OG1-N 3.32Å; T569-S572 PolarHBondContact OG1-OG 3.29Å; T569-S572 VanDerWaalsContact OG1-OG 3.09Å; T569-R573 WeakPolarHBondContact O-CG 3.45Å; T569-R573 PolarHBondContact O-N 3.48Å
570L98.7Very high98.8Very high6 Ų615.3 Ų15.33%0.0319%0.085CC..G310 helixtrans-46.6-52.1173.9-169.2161.2000111.4P285 I296 T302 Y311 F322 S572 R573 V574P285-L570 HydrophobicContact CB-CD2 3.84Å; I296-L570 HydrophobicContact CD1-CD1 3.84Å; T302-L570 HydrophobicContact CG2-CD1 4.41Å; T302-L570 HydrophobicContact CG2-CD2 3.96Å; T302-L570 HydrophobicContact CG2-CG 3.62Å; Y311-L570 HydrophobicContact CE1-CB 4.3Å; Y311-L570 HydrophobicContact CE1-CD1 3.91Å; Y311-L570 WeakPolarHBondContact OH-CB 3.23Å; F322-L570 HydrophobicContact CE1-CD2 4.38Å; F322-L570 HydrophobicContact CZ-CD2 4.07Å; L570-S572 PolarHBondContact O-N 2.68Å; L570-S572 VanDerWaalsContact O-N 3.12Å; L570-R573 PolarHBondContact O-N 2.69Å; L570-V574 HydrophobicContact CD2-CG2 3.89Å; L570-V574 WeakPolarHBondContact O-CG2 3.36Å; L570-V574 PolarHBondContact O-N 3.04Å
571A98.5Very high98.7Very high1 Ų116 Ų161%0.0089%0.09CC..G310 helixtrans-60.4-24.5-177.900000114.5M130 P285 N547 H549 T569M130-A571 HydrophobicContact CB-CB 4.34Å; M130-A571 HydrophobicContact CG-CB 4.41Å; M130-A571 HydrophobicContact SD-CB 3.36Å; M130-A571 WeakPolarHBondContact SD-CB 3.46Å; P285-A571 HydrophobicContact CB-CB 4.08Å; P285-A571 HydrophobicContact CG-CB 4.42Å; N547-A571 PolarHBondContact N-O 2.97Å; H549-A571 PolarHBondContact NE2-O 2.91Å; T569-A571 VanDerWaalsContact C-N 3.26Å; T569-A571 PolarHBondContact O-N 3.01Å
572S98.8Very high98.7Very high4 Ų416 Ų163%0.0289%0.09CC..G310 helixtrans-91.50.1178.168.90000114.2P544 N547 P566 G567 E568 T569 L570P544-S572 VanDerWaalsContact O-CB 3.29Å; P544-S572 WeakPolarHBondContact O-CB 3.17Å; N547-S572 PolarHBondContact ND2-O 3.03Å; N547-S572 PolarHBondContact OD1-O 3.42Å; P566-S572 VanDerWaalsContact CA-O 3.3Å; P566-S572 WeakPolarHBondContact CA-O 3.49Å; G567-S572 VanDerWaalsContact C-OG 3.3Å; G567-S572 VanDerWaalsContact CA-OG 3.23Å; G567-S572 WeakPolarHBondContact CA-OG 3.09Å; G567-S572 PolarHBondContact N-O 2.93Å; G567-S572 PolarHBondContact N-OG 3.33Å; E568-S572 PolarHBondContact N-OG 2.91Å; T569-S572 PolarHBondContact N-OG 2.9Å; T569-S572 VanDerWaalsContact N-OG 3.1Å; T569-S572 PolarHBondContact O-N 3.06Å; T569-S572 PolarHBondContact O-OG 3.39Å; T569-S572 WeakPolarHBondContact OG1-CB 3.47Å; T569-S572 PolarHBondContact OG1-N 3.32Å; T569-S572 PolarHBondContact OG1-OG 3.29Å; T569-S572 VanDerWaalsContact OG1-OG 3.09Å; L570-S572 PolarHBondContact O-N 2.68Å; L570-S572 VanDerWaalsContact O-N 3.12Å
573R98.9Very high98.7Very high42 Ų4217.4 Ų17.416%0.15810%0.104CC..THydrogen-bonded Turntrans-118.3-13.2-176.9-63.4-178.36580.62.7114.7E301 T302 N547 P566 G567 T569 L570 A575 A576 S577E301-R573 VanDerWaalsContact O-CZ 3.24Å; E301-R573 PolarHBondContact O-NE 3.11Å; E301-R573 PolarHBondContact O-NH2 3.25Å; T302-R573 VanDerWaalsContact O-CD 3.29Å; T302-R573 WeakPolarHBondContact O-CD 3.49Å; T302-R573 PolarHBondContact O-NE 3.21Å; N547-R573 VanDerWaalsContact OD1-C 3.32Å; N547-R573 WeakPolarHBondContact OD1-CA 3.35Å; N547-R573 PolarHBondContact OD1-N 3.06Å; N547-R573 VanDerWaalsContact OD1-N 3.12Å; P566-R573 HydrophobicContact CB-CG 4.1Å; G567-R573 VanDerWaalsContact O-CD 3.26Å; G567-R573 WeakPolarHBondContact O-CD 3.36Å; G567-R573 WeakPolarHBondContact O-CG 3.37Å; G567-R573 PolarHBondContact O-NH1 2.92Å; T569-R573 WeakPolarHBondContact O-CG 3.45Å; T569-R573 PolarHBondContact O-N 3.48Å; L570-R573 PolarHBondContact O-N 2.69Å; R573-A575 VanDerWaalsContact C-N 3.31Å; R573-A575 PolarHBondContact O-N 2.98Å; R573-A576 PolarHBondContact O-N 3.23Å; R573-A576 VanDerWaalsContact O-N 3.09Å; R573-S577 PolarHBondContact O-N 2.91Å; R573-S577 VanDerWaalsContact O-N 3.15Å
574V98.9Very high98.7Very high0 Ų017.4 Ų17.40%010%0.104CC..Hα-helixtrans-54.2-43.4-176.4-178.90000112.4F322 F323 N547 H549 L570 A576 S577 Q578F322-V574 HydrophobicContact CE1-CG2 4.21Å; F322-V574 HydrophobicContact CZ-CG2 4.31Å; F323-V574 HydrophobicContact CB-CG1 4.49Å; F323-V574 HydrophobicContact CD2-CG1 3.57Å; F323-V574 HydrophobicContact CE2-CG1 3.97Å; F323-V574 HydrophobicContact CG-CG1 4.02Å; N547-V574 PolarHBondContact OD1-N 3.3Å; N547-V574 VanDerWaalsContact OD1-N 3.09Å; H549-V574 HydrophobicContact CB-CG1 4.45Å; L570-V574 HydrophobicContact CD2-CG2 3.89Å; L570-V574 WeakPolarHBondContact O-CG2 3.36Å; L570-V574 PolarHBondContact O-N 3.04Å; V574-A576 VanDerWaalsContact C-N 3.33Å; V574-A576 PolarHBondContact O-N 3.5Å; V574-S577 PolarHBondContact O-N 3.41Å; V574-Q578 HydrophobicContact CG1-CG 4.34Å; V574-Q578 VanDerWaalsContact O-CG 3.3Å; V574-Q578 WeakPolarHBondContact O-CG 3.3Å; V574-Q578 PolarHBondContact O-N 3.18Å
575A98.9Very high98.7Very high0 Ų022.6 Ų22.60%013%0.131CC..Hα-helixtrans-65.8-35.2-178.900000112.5D542 N547 M562 T564 R573 Q578 L579D542-A575 WeakPolarHBondContact OD2-CB 3.46Å; N547-A575 HydrophobicContact CB-CB 3.72Å; N547-A575 PolarHBondContact OD1-N 3.15Å; M562-A575 HydrophobicContact CE-CB 3.64Å; M562-A575 HydrophobicContact SD-CB 4.42Å; T564-A575 HydrophobicContact CG2-CB 4.05Å; T564-A575 WeakPolarHBondContact OG1-CB 3.35Å; R573-A575 VanDerWaalsContact C-N 3.31Å; R573-A575 PolarHBondContact O-N 2.98Å; A575-Q578 PolarHBondContact O-N 2.72Å; A575-L579 WeakPolarHBondContact O-CB 3.47Å; A575-L579 VanDerWaalsContact O-CG 3.27Å; A575-L579 WeakPolarHBondContact O-CG 3.41Å; A575-L579 PolarHBondContact O-N 3.43Å
576A98.9Very high98.6Very high2 Ų223.9 Ų23.92%0.01714%0.137CC..Hα-helixtrans-68.3-39.1175.900000111.3T564 P566 R573 V574 L579 T580 I588T564-A576 HydrophobicContact CG2-CB 4.06Å; P566-A576 HydrophobicContact CB-CB 3.78Å; P566-A576 HydrophobicContact CG-CB 3.88Å; R573-A576 PolarHBondContact O-N 3.23Å; R573-A576 VanDerWaalsContact O-N 3.09Å; V574-A576 VanDerWaalsContact C-N 3.33Å; V574-A576 PolarHBondContact O-N 3.5Å; A576-L579 PolarHBondContact O-N 3.39Å; A576-T580 WeakPolarHBondContact O-CB 3.3Å; A576-T580 PolarHBondContact O-N 3.36Å; A576-T580 PolarHBondContact O-OG1 3.21Å; A576-I588 HydrophobicContact CB-CD1 4.23Å; A576-I588 HydrophobicContact CB-CG1 4.47Å; A576-I588 HydrophobicContact CB-CG2 3.96Å
577S98.9Very high98.6Very high0 Ų022.2 Ų22.20%013%0.126CC..Hα-helixtrans-62.7-44.9173.2179.20000111.8D299 T302 T321 R573 V574 L579 T580 C581D299-S577 PolarHBondContact OD1-OG 3.1Å; D299-S577 PolarHBondContact OD2-OG 2.86Å; T302-S577 WeakPolarHBondContact OG1-CB 3.38Å; T302-S577 PolarHBondContact OG1-OG 3.33Å; T321-S577 WeakPolarHBondContact CB-OG 3.49Å; T321-S577 PolarHBondContact OG1-OG 2.98Å; R573-S577 PolarHBondContact O-N 2.91Å; R573-S577 VanDerWaalsContact O-N 3.15Å; V574-S577 PolarHBondContact O-N 3.41Å; S577-L579 PolarHBondContact O-N 2.87Å; S577-T580 PolarHBondContact O-N 3.1Å; S577-C581 WeakPolarHBondContact O-CB 3.41Å; S577-C581 PolarHBondContact O-N 3Å
578Q98.9Very high98.7Very high0 Ų022.3 Ų22.30%012%0.12CC..Hα-helixtrans-57.8-47.4174.1-69.2169.6-3.200111.8F323 H549 M553 L556 V574 A575 C581 L582 L625F323-Q578 HydrophobicContact CB-CG 4.25Å; F323-Q578 VanDerWaalsContact CD1-NE2 3.31Å; H549-Q578 PolarHBondContact O-NE2 2.96Å; M553-Q578 HydrophobicContact SD-CG 3.87Å; L556-Q578 HydrophobicContact CD1-CB 4.1Å; V574-Q578 HydrophobicContact CG1-CG 4.34Å; V574-Q578 VanDerWaalsContact O-CG 3.3Å; V574-Q578 WeakPolarHBondContact O-CG 3.3Å; V574-Q578 PolarHBondContact O-N 3.18Å; A575-Q578 PolarHBondContact O-N 2.72Å; Q578-C581 PolarHBondContact O-N 2.93Å; Q578-L582 WeakPolarHBondContact O-CB 3.38Å; Q578-L582 PolarHBondContact O-N 2.96Å; Q578-L625 HydrophobicContact CB-CD1 4.23Å; Q578-L625 HydrophobicContact CG-CD1 4.33Å
579L98.9Very high98.7Very high0 Ų016.4 Ų16.40%09%0.093CC..Hα-helixtrans-68.6-33179.8-72.8167.4000112.9L556 M562 T564 A575 A576 S577 L582 G583 C584 L587 I588L556-L579 HydrophobicContact CD2-CD2 3.98Å; M562-L579 HydrophobicContact CE-CD1 4.43Å; M562-L579 HydrophobicContact CE-CG 4.34Å; M562-L579 WeakPolarHBondContact O-CD1 3.3Å; T564-L579 HydrophobicContact CG2-CD1 3.57Å; A575-L579 WeakPolarHBondContact O-CB 3.47Å; A575-L579 VanDerWaalsContact O-CG 3.27Å; A575-L579 WeakPolarHBondContact O-CG 3.41Å; A575-L579 PolarHBondContact O-N 3.43Å; A576-L579 PolarHBondContact O-N 3.39Å; S577-L579 PolarHBondContact O-N 2.87Å; L579-L582 HydrophobicContact CD2-CD2 4.4Å; L579-L582 PolarHBondContact O-N 3.28Å; L579-G583 PolarHBondContact O-N 3.37Å; L579-C584 HydrophobicContact CD2-CB 4.1Å; L579-C584 PolarHBondContact O-N 3.06Å; L579-L587 HydrophobicContact CD1-CB 4.12Å; L579-L587 HydrophobicContact CD2-CB 4.43Å; L579-L587 HydrophobicContact CD2-CD1 4.08Å; L579-I588 HydrophobicContact CB-CD1 4.06Å; L579-I588 HydrophobicContact CB-CG1 4.07Å; L579-I588 HydrophobicContact CD1-CG1 4.13Å
580T98.8Very high98.7Very high37 Ų3723.4 Ų23.423%0.22712%0.122CC..Hα-helixtrans-66.9-47174.5-61.20000110.6E301 A576 S577 L582 G583 L585 I588E301-T580 HydrophobicContact CG-CG2 3.77Å; A576-T580 WeakPolarHBondContact O-CB 3.3Å; A576-T580 PolarHBondContact O-N 3.36Å; A576-T580 PolarHBondContact O-OG1 3.21Å; S577-T580 PolarHBondContact O-N 3.1Å; T580-L582 VanDerWaalsContact C-N 3.27Å; T580-L582 PolarHBondContact O-N 2.99Å; T580-G583 WeakPolarHBondContact O-CA 3.43Å; T580-G583 PolarHBondContact O-N 3.47Å; T580-L585 HydrophobicContact CG2-CD2 3.94Å; T580-I588 WeakPolarHBondContact OG1-CD1 3.42Å
581C98.7Very high98.7Very high15 Ų1527 Ų2710%0.10114%0.141CC..Hα-helixtrans-59-38.2172.6-1790000112.2H320 T321 S577 Q578 G583 L625H320-C581 HydrophobicContact CB-CB 4.24Å; T321-C581 HydrophobicContact CG2-CB 3.65Å; S577-C581 WeakPolarHBondContact O-CB 3.41Å; S577-C581 PolarHBondContact O-N 3Å; Q578-C581 PolarHBondContact O-N 2.93Å; C581-G583 PolarHBondContact O-N 3.16Å; C581-L625 HydrophobicContact CB-CD1 4.22Å
582L98.6Very high98.7Very high1 Ų134.2 Ų34.21%0.00517%0.168CC..Hα-helixtrans-69.3-20174.9-166.666.5000113.3L556 Q578 L579 T580 V616 Q619 R620 L625L556-L582 HydrophobicContact CD1-CD2 4.27Å; L556-L582 HydrophobicContact CD2-CD2 3.81Å; L556-L582 HydrophobicContact CG-CD2 4.47Å; Q578-L582 WeakPolarHBondContact O-CB 3.38Å; Q578-L582 PolarHBondContact O-N 2.96Å; L579-L582 HydrophobicContact CD2-CD2 4.4Å; L579-L582 PolarHBondContact O-N 3.28Å; T580-L582 VanDerWaalsContact C-N 3.27Å; T580-L582 PolarHBondContact O-N 2.99Å; L582-V616 HydrophobicContact CD2-CG1 4.12Å; L582-V616 HydrophobicContact CD2-CG2 4.34Å; L582-Q619 VanDerWaalsContact CD1-C 3.48Å; L582-Q619 HydrophobicContact CD1-CB 3.67Å; L582-Q619 HydrophobicContact CG-CB 3.96Å; L582-Q619 VanDerWaalsContact O-CB 3.3Å; L582-Q619 WeakPolarHBondContact O-CB 3.47Å; L582-Q619 WeakPolarHBondContact O-CG 3.41Å; L582-Q619 PolarHBondContact O-NE2 3.09Å; L582-R620 HydrophobicContact CD1-CB 4.39Å; L582-L625 HydrophobicContact CB-CD2 4.15Å; L582-L625 HydrophobicContact CD1-CD2 4.05Å
583G98.2Very high98.7Very high30 Ų3038.9 Ų38.931%0.30919%0.189SC..THydrogen-bonded Turntrans81.628.8-175.900000114.3L579 T580 C581 K615L579-G583 PolarHBondContact O-N 3.37Å; T580-G583 WeakPolarHBondContact O-CA 3.43Å; T580-G583 PolarHBondContact O-N 3.47Å; C581-G583 PolarHBondContact O-N 3.16Å; G583-K615 WeakPolarHBondContact O-CE 3.45Å; G583-K615 PolarHBondContact O-NZ 2.95Å
584C98.4Very high98.7Very high0 Ų039.6 Ų39.60%019%0.194CC..  trans-11353.7-177.6-750000112.8L579 E586 L587L579-C584 HydrophobicContact CD2-CB 4.1Å; L579-C584 PolarHBondContact O-N 3.06Å; C584-E586 VanDerWaalsContact C-OE2 3.27Å; C584-E586 WeakPolarHBondContact CA-OE2 3.5Å; C584-E586 PolarHBondContact O-N 3.06Å; C584-L587 HydrophobicContact CB-CD1 4.01Å; C584-L587 HydrophobicContact CB-CG 4.4Å; C584-L587 WeakPolarHBondContact O-CB 3.41Å; C584-L587 PolarHBondContact O-N 3.31Å; C584-L587 VanDerWaalsContact O-N 3.11Å
585L98.5Very high98.7Very high108 Ų10839.6 Ų39.657%0.56519%0.194SC*.G310 helixtrans-59-28-178.3-56.7-179.3000113.7T580 L587 I588T580-L585 HydrophobicContact CG2-CD2 3.94Å; L585-L587 PolarHBondContact O-N 2.95Å; L585-L587 VanDerWaalsContact O-N 3.08Å; L585-I588 HydrophobicContact CD2-CD1 4.12Å; L585-I588 PolarHBondContact O-N 2.92Å; L585-I588 VanDerWaalsContact O-N 3.13Å
586E98.5Very high98.7Very high58 Ų5840.4 Ų40.427%0.27120%0.198SC..G310 helixtrans-65.9-6.7177.769.2-86.3-155.500114.4C584 I598 K615C584-E586 VanDerWaalsContact C-OE2 3.27Å; C584-E586 WeakPolarHBondContact CA-OE2 3.5Å; C584-E586 PolarHBondContact O-N 3.06Å; E586-I598 WeakPolarHBondContact O-CD1 3.24Å; E586-K615 VanDerWaalsContact OE1-CD 3.28Å; E586-K615 WeakPolarHBondContact OE1-CD 3.47Å; E586-K615 IonicContact OE1-NZ 2.78Å; E586-K615 PolarHBondContact OE1-NZ 3.01Å; E586-K615 IonicContact OE2-NZ 2.83Å; E586-K615 PolarHBondContact OE2-NZ 3.31Å
587L98.9Very high98.7Very high0 Ų043.4 Ų43.40%021%0.214CC..G310 helixtrans-102.73.6177.3-60.4-180000113.4P561 M562 V563 T564 L579 C584 L585 I598 L602 V612P561-L587 HydrophobicContact CB-CD1 3.89Å; M562-L587 VanDerWaalsContact O-CB 3.32Å; M562-L587 WeakPolarHBondContact O-CB 3.4Å; V563-L587 HydrophobicContact CG2-CD2 4.37Å; T564-L587 PolarHBondContact N-O 3.26Å; L579-L587 HydrophobicContact CD1-CB 4.12Å; L579-L587 HydrophobicContact CD2-CB 4.43Å; L579-L587 HydrophobicContact CD2-CD1 4.08Å; C584-L587 HydrophobicContact CB-CD1 4.01Å; C584-L587 HydrophobicContact CB-CG 4.4Å; C584-L587 WeakPolarHBondContact O-CB 3.41Å; C584-L587 PolarHBondContact O-N 3.31Å; C584-L587 VanDerWaalsContact O-N 3.11Å; L585-L587 PolarHBondContact O-N 2.95Å; L585-L587 VanDerWaalsContact O-N 3.08Å; L587-I598 HydrophobicContact CD2-CG2 4.1Å; L587-L602 HydrophobicContact CD2-CD1 3.79Å; L587-V612 HydrophobicContact CD1-CG1 4.06Å; L587-V612 HydrophobicContact CD2-CG1 4.04Å; L587-V612 HydrophobicContact CG-CG1 4.38Å
588I98.9Very high98.7Very high28 Ų2844.4 Ų44.414%0.14422%0.219CC..BIsolated β-bridgetrans-106.2103.6-177.3-52.9175.6000108.9T564 P566 A576 L579 T580 L585T564-I588 HydrophobicContact CG2-CG1 4.41Å; P566-I588 HydrophobicContact CG-CG2 3.81Å; A576-I588 HydrophobicContact CB-CD1 4.23Å; A576-I588 HydrophobicContact CB-CG1 4.47Å; A576-I588 HydrophobicContact CB-CG2 3.96Å; L579-I588 HydrophobicContact CB-CD1 4.06Å; L579-I588 HydrophobicContact CB-CG1 4.07Å; L579-I588 HydrophobicContact CD1-CG1 4.13Å; T580-I588 WeakPolarHBondContact OG1-CD1 3.42Å; L585-I588 HydrophobicContact CD2-CD1 4.12Å; L585-I588 PolarHBondContact O-N 2.92Å; L585-I588 VanDerWaalsContact O-N 3.13Å
589A98.9Very high98.7Very high0 Ų044.4 Ų44.40%022%0.219CC..  trans-82.6141.6178.300000112.2T564 M565 P566 E594 Y595 I598T564-A589 PolarHBondContact O-N 3.44Å; M565-A589 HydrophobicContact CB-CB 4.35Å; P566-A589 WeakPolarHBondContact CD-O 3.37Å; A589-E594 HydrophobicContact CB-CB 4.06Å; A589-E594 HydrophobicContact CB-CG 4.17Å; A589-Y595 VanDerWaalsContact CB-CA 3.41Å; A589-Y595 HydrophobicContact CB-CD2 4.4Å; A589-Y595 HydrophobicContact CB-CG 4.5Å; A589-I598 HydrophobicContact CB-CD1 4.1Å
590K98.7Very high98.7Very high159 Ų15945 Ų4569%0.69122%0.223SC*.SBendtrans-86.5-19.1177-58.9164.8-160.764.30112.5E594K590-E594 WeakPolarHBondContact CB-OE2 3.47Å; K590-E594 VanDerWaalsContact CG-OE2 3.28Å; K590-E594 WeakPolarHBondContact CG-OE2 3.47Å; K590-E594 PolarHBondContact N-OE2 3.46Å; K590-E594 IonicContact NZ-OE1 3.76Å; K590-E594 PolarHBondContact NZ-OE1 3.04Å; K590-E594 IonicContact NZ-OE2 2.85Å; K590-E594 PolarHBondContact NZ-OE2 3.32Å
591N98.8Very high98.7Very high81 Ų8147.8 Ų47.843%0.43323%0.232SC..SBendtrans-155.9171.8-179.361.762.4000110.7Q593 E594 Y595N591-Q593 VanDerWaalsContact C-N 3.29Å; N591-Q593 PolarHBondContact O-N 2.82Å; N591-Q593 WeakPolarHBondContact OD1-CB 3.42Å; N591-Q593 PolarHBondContact OD1-N 3.24Å; N591-E594 PolarHBondContact O-N 3.32Å; N591-E594 PolarHBondContact OD1-N 3.36Å; N591-Y595 PolarHBondContact O-N 2.88Å
592R98.8Very high98.8Very high153 Ų15347.1 Ų47.158%0.57723%0.227SC*.Hα-helixtrans-59.8-37.7-176.5-69.3-175.4-68.9-89.4-0.2112.9M479 M565 Y595 E596M479-R592 HydrophobicContact SD-CB 4.07Å; M479-R592 HydrophobicContact SD-CG 4.07Å; M565-R592 HydrophobicContact CE-CG 3.87Å; M565-R592 HydrophobicContact SD-CB 4.41Å; M565-R592 HydrophobicContact SD-CG 3.82Å; M565-R592 PolarHBondContact SD-N 2.79Å; R592-Y595 WeakPolarHBondContact O-CB 3.38Å; R592-Y595 PolarHBondContact O-N 3.2Å; R592-E596 WeakPolarHBondContact O-CG 3.45Å; R592-E596 PolarHBondContact O-N 3.38Å
593Q98.8Very high98.8Very high102 Ų10247.3 Ų47.348%0.47723%0.23SC..Hα-helixtrans-66.3-46.9179.9-173.960.456.600111N591 Y595 E596 D597N591-Q593 VanDerWaalsContact C-N 3.29Å; N591-Q593 PolarHBondContact O-N 2.82Å; N591-Q593 WeakPolarHBondContact OD1-CB 3.42Å; N591-Q593 PolarHBondContact OD1-N 3.24Å; Q593-Y595 VanDerWaalsContact C-N 3.27Å; Q593-Y595 PolarHBondContact O-N 3.46Å; Q593-E596 PolarHBondContact O-N 2.54Å; Q593-D597 PolarHBondContact NE2-OD1 3.2Å; Q593-D597 PolarHBondContact NE2-OD2 3.47Å; Q593-D597 WeakPolarHBondContact O-CB 3.41Å; Q593-D597 PolarHBondContact O-N 2.94Å
594E98.9Very high98.8Very high57 Ų5749.8 Ų49.827%0.26624%0.239SC..Hα-helixtrans-62.3-36.6176.2-169.7175.8-160.300111.3A589 K590 N591 D597 I598A589-E594 HydrophobicContact CB-CB 4.06Å; A589-E594 HydrophobicContact CB-CG 4.17Å; K590-E594 WeakPolarHBondContact CB-OE2 3.47Å; K590-E594 VanDerWaalsContact CG-OE2 3.28Å; K590-E594 WeakPolarHBondContact CG-OE2 3.47Å; K590-E594 PolarHBondContact N-OE2 3.46Å; K590-E594 IonicContact NZ-OE1 3.76Å; K590-E594 PolarHBondContact NZ-OE1 3.04Å; K590-E594 IonicContact NZ-OE2 2.85Å; K590-E594 PolarHBondContact NZ-OE2 3.32Å; N591-E594 PolarHBondContact O-N 3.32Å; N591-E594 PolarHBondContact OD1-N 3.36Å; E594-D597 PolarHBondContact O-N 3.45Å; E594-I598 HydrophobicContact CG-CD1 4.03Å; E594-I598 HydrophobicContact CG-CG1 4.42Å; E594-I598 WeakPolarHBondContact O-CB 3.35Å; E594-I598 VanDerWaalsContact O-CG1 3.24Å; E594-I598 WeakPolarHBondContact O-CG1 3.36Å; E594-I598 PolarHBondContact O-N 3.41Å
595Y98.9Very high98.8Very high0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-60-49.8174.3-178-76.6000111.4M479 W480 I483 L541 D542 V563 M565 A589 N591 R592 Q593 D597 A599M479-Y595 HydrophobicContact CE-CD1 3.33Å; M479-Y595 HydrophobicContact CE-CD2 4.1Å; M479-Y595 HydrophobicContact CE-CE1 3.31Å; M479-Y595 HydrophobicContact CE-CE2 4.04Å; M479-Y595 HydrophobicContact CE-CG 3.75Å; M479-Y595 HydrophobicContact CG-CD1 3.78Å; M479-Y595 HydrophobicContact CG-CE1 4.25Å; M479-Y595 HydrophobicContact SD-CD1 3.26Å; M479-Y595 WeakPolarHBondContact SD-CD1 3.23Å; M479-Y595 HydrophobicContact SD-CD2 4.41Å; M479-Y595 HydrophobicContact SD-CE1 3.9Å; M479-Y595 HydrophobicContact SD-CG 3.57Å; M479-Y595 VanDerWaalsContact SD-CG 3.57Å; W480-Y595 PolarHBondContact NE1-OH 3.01Å; I483-Y595 HydrophobicContact CD1-CD1 3.97Å; I483-Y595 HydrophobicContact CD1-CE1 3.7Å; L541-Y595 WeakPolarHBondContact CA-OH 3.25Å; L541-Y595 WeakPolarHBondContact CB-OH 3.47Å; L541-Y595 HydrophobicContact CD2-CE1 4.18Å; D542-Y595 PolarHBondContact N-OH 2.94Å; D542-Y595 PolarHBondContact O-OH 3.36Å; V563-Y595 HydrophobicContact CB-CE2 4.23Å; V563-Y595 HydrophobicContact CG1-CD2 3.71Å; V563-Y595 HydrophobicContact CG1-CE2 3.77Å; V563-Y595 HydrophobicContact CG1-CG 4.11Å; V563-Y595 WeakPolarHBondContact O-CE2 3.23Å; M565-Y595 HydrophobicContact CB-CD2 3.84Å; A589-Y595 VanDerWaalsContact CB-CA 3.41Å; A589-Y595 HydrophobicContact CB-CD2 4.4Å; A589-Y595 HydrophobicContact CB-CG 4.5Å; N591-Y595 PolarHBondContact O-N 2.88Å; R592-Y595 WeakPolarHBondContact O-CB 3.38Å; R592-Y595 PolarHBondContact O-N 3.2Å; Q593-Y595 VanDerWaalsContact C-N 3.27Å; Q593-Y595 PolarHBondContact O-N 3.46Å; Y595-D597 VanDerWaalsContact C-N 3.32Å; Y595-D597 PolarHBondContact O-N 3.05Å; Y595-A599 WeakPolarHBondContact O-CB 3.34Å; Y595-A599 PolarHBondContact O-N 3.47Å; Y595-A599 VanDerWaalsContact O-N 3.11Å
596E98.9Very high98.6Very high18 Ų1853 Ų538%0.08426%0.256CS..Hα-helixtrans-61.7-41.9177-66.2-179.8-165.900111.6M479 N482 I483 R486 R592 Q593 A599 V600M479-E596 HydrophobicContact CG-CG 3.47Å; M479-E596 VanDerWaalsContact CG-CG 3.47Å; N482-E596 HydrophobicContact CB-CG 4.49Å; N482-E596 WeakPolarHBondContact CB-OE2 3.33Å; N482-E596 PolarHBondContact ND2-OE1 3.5Å; I483-E596 HydrophobicContact CD1-CG 4.41Å; I483-E596 HydrophobicContact CG1-CB 4.07Å; I483-E596 HydrophobicContact CG1-CG 4.06Å; R486-E596 IonicContact NH1-OE2 3.64Å; R592-E596 WeakPolarHBondContact O-CG 3.45Å; R592-E596 PolarHBondContact O-N 3.38Å; Q593-E596 PolarHBondContact O-N 2.54Å; E596-A599 PolarHBondContact O-N 2.97Å; E596-V600 VanDerWaalsContact O-CB 3.32Å; E596-V600 WeakPolarHBondContact O-CB 3.29Å; E596-V600 WeakPolarHBondContact O-CG2 3.35Å; E596-V600 PolarHBondContact O-N 2.97Å
597D98.9Very high98.4Very high64 Ų6456.5 Ų56.534%0.34227%0.273SS..Hα-helixtrans-68.4-40.9-177.2-66.9-21.1000112.5R486 Q593 E594 Y595 K601R486-D597 IonicContact CZ-OD1 3.7Å; R486-D597 VanDerWaalsContact CZ-OD1 3.26Å; R486-D597 IonicContact NH1-OD1 2.81Å; R486-D597 PolarHBondContact NH1-OD1 3.2Å; R486-D597 IonicContact NH2-OD1 3.73Å; R486-D597 PolarHBondContact NH2-OD1 3.1Å; Q593-D597 PolarHBondContact NE2-OD1 3.2Å; Q593-D597 PolarHBondContact NE2-OD2 3.47Å; Q593-D597 WeakPolarHBondContact O-CB 3.41Å; Q593-D597 PolarHBondContact O-N 2.94Å; E594-D597 PolarHBondContact O-N 3.45Å; Y595-D597 VanDerWaalsContact C-N 3.32Å; Y595-D597 PolarHBondContact O-N 3.05Å; D597-K601 VanDerWaalsContact O-CB 3.23Å; D597-K601 WeakPolarHBondContact O-CB 3.38Å; D597-K601 PolarHBondContact O-N 3.43Å
598I98.9Very high98.3Very high22 Ų2258.5 Ų58.511%0.11328%0.28CS..Hα-helixtrans-60.7-49.3173.2-68.6167.5000109.9V563 E586 L587 A589 E594 K601 L602V563-I598 HydrophobicContact CG1-CB 4.18Å; V563-I598 HydrophobicContact CG1-CG2 3.92Å; V563-I598 HydrophobicContact CG2-CG2 3.78Å; E586-I598 WeakPolarHBondContact O-CD1 3.24Å; L587-I598 HydrophobicContact CD2-CG2 4.1Å; A589-I598 HydrophobicContact CB-CD1 4.1Å; E594-I598 HydrophobicContact CG-CD1 4.03Å; E594-I598 HydrophobicContact CG-CG1 4.42Å; E594-I598 WeakPolarHBondContact O-CB 3.35Å; E594-I598 VanDerWaalsContact O-CG1 3.24Å; E594-I598 WeakPolarHBondContact O-CG1 3.36Å; E594-I598 PolarHBondContact O-N 3.41Å; I598-K601 PolarHBondContact O-N 2.76Å; I598-L602 HydrophobicContact CG2-CD1 3.98Å; I598-L602 WeakPolarHBondContact O-CG 3.35Å; I598-L602 PolarHBondContact O-N 3.02Å
599A98.9Very high98.2Very high0 Ų057.6 Ų57.60%028%0.276CS..Hα-helixtrans-61.3-49.1-179.200000111.5Y463 I483 L541 Y595 E596 K601 L602 G603Y463-A599 HydrophobicContact CE1-CB 4.32Å; Y463-A599 PolarHBondContact OH-O 3.49Å; I483-A599 HydrophobicContact CD1-CB 3.55Å; I483-A599 HydrophobicContact CG1-CB 3.93Å; I483-A599 HydrophobicContact CG2-CB 3.96Å; L541-A599 HydrophobicContact CD2-CB 3.69Å; Y595-A599 WeakPolarHBondContact O-CB 3.34Å; Y595-A599 PolarHBondContact O-N 3.47Å; Y595-A599 VanDerWaalsContact O-N 3.11Å; E596-A599 PolarHBondContact O-N 2.97Å; A599-K601 VanDerWaalsContact C-N 3.34Å; A599-K601 PolarHBondContact O-N 2.65Å; A599-L602 WeakPolarHBondContact O-CB 3.09Å; A599-L602 PolarHBondContact O-N 3.41Å; A599-G603 PolarHBondContact O-N 2.89Å
600V98.9Very high97.9Very high13 Ų1362.1 Ų62.18%0.07930%0.296CS..Hα-helixtrans-62.4-41.5179.1170.40000111.2I483 R486 V487 E596 L602 G603 T604I483-V600 HydrophobicContact CB-CG2 4.33Å; I483-V600 HydrophobicContact CG1-CG2 4.3Å; I483-V600 HydrophobicContact CG2-CG2 4.12Å; R486-V600 HydrophobicContact CB-CG1 4.03Å; R486-V600 HydrophobicContact CB-CG2 3.64Å; R486-V600 HydrophobicContact CG-CG2 4.47Å; V487-V600 HydrophobicContact CG2-CB 4.23Å; V487-V600 HydrophobicContact CG2-CG1 4.06Å; V487-V600 HydrophobicContact CG2-CG2 4.05Å; E596-V600 VanDerWaalsContact O-CB 3.32Å; E596-V600 WeakPolarHBondContact O-CB 3.29Å; E596-V600 WeakPolarHBondContact O-CG2 3.35Å; E596-V600 PolarHBondContact O-N 2.97Å; V600-L602 PolarHBondContact O-N 3.14Å; V600-G603 CarbonylContact O-C 3.58Å; V600-G603 PolarHBondContact O-N 3.39Å; V600-G603 VanDerWaalsContact O-N 3.13Å; V600-T604 HydrophobicContact CG1-CG2 4.32Å; V600-T604 WeakPolarHBondContact O-CB 3.48Å; V600-T604 WeakPolarHBondContact O-CG2 3.33Å; V600-T604 PolarHBondContact O-N 2.98Å; V600-T604 PolarHBondContact O-OG1 3.45Å
601K98.8Very high97.7Very high95 Ų9559.4 Ų59.441%0.41328%0.284SS..Hα-helixtrans-57.6-48173.8-175.5178.2-179.9179.50111.3D597 I598 A599 G603 T604 D605 Y608D597-K601 VanDerWaalsContact O-CB 3.23Å; D597-K601 WeakPolarHBondContact O-CB 3.38Å; D597-K601 PolarHBondContact O-N 3.43Å; I598-K601 PolarHBondContact O-N 2.76Å; A599-K601 VanDerWaalsContact C-N 3.34Å; A599-K601 PolarHBondContact O-N 2.65Å; K601-G603 VanDerWaalsContact C-N 3.26Å; K601-G603 PolarHBondContact O-N 3.22Å; K601-T604 PolarHBondContact O-N 3.25Å; K601-D605 HydrophobicContact CG-CB 4.35Å; K601-D605 WeakPolarHBondContact O-CB 3.4Å; K601-D605 PolarHBondContact O-N 3.49Å; K601-Y608 HydrophobicContact CD-CD1 3.95Å; K601-Y608 HydrophobicContact CD-CE1 3.9Å; K601-Y608 HydrophobicContact CG-CD1 3.86Å; K601-Y608 HydrophobicContact CG-CE1 4.18Å
602L98.7Very high97.7Very high0 Ų055.6 Ų55.60%026%0.263CS..Hα-helixtrans-62.1-31.5176-70.5164000113V539 V563 L587 I598 A599 V600 Y608 L609 V612V539-L602 HydrophobicContact CG1-CD1 4Å; V539-L602 HydrophobicContact CG2-CB 3.69Å; V539-L602 HydrophobicContact CG2-CD1 4.05Å; V539-L602 HydrophobicContact CG2-CG 4.38Å; V563-L602 HydrophobicContact CG2-CD1 3.7Å; L587-L602 HydrophobicContact CD2-CD1 3.79Å; I598-L602 HydrophobicContact CG2-CD1 3.98Å; I598-L602 WeakPolarHBondContact O-CG 3.35Å; I598-L602 PolarHBondContact O-N 3.02Å; A599-L602 WeakPolarHBondContact O-CB 3.09Å; A599-L602 PolarHBondContact O-N 3.41Å; V600-L602 PolarHBondContact O-N 3.14Å; L602-Y608 HydrophobicContact CD2-CD1 3.82Å; L602-Y608 HydrophobicContact CD2-CE1 3.77Å; L602-Y608 HydrophobicContact CG-CD1 4.38Å; L602-Y608 HydrophobicContact CG-CE1 4.21Å; L602-L609 HydrophobicContact CB-CD1 4.3Å; L602-L609 HydrophobicContact CD2-CD1 4.11Å; L602-L609 WeakPolarHBondContact O-CB 3.37Å; L602-V612 HydrophobicContact CD2-CB 3.98Å; L602-V612 HydrophobicContact CD2-CG1 4.14Å; L602-V612 HydrophobicContact CD2-CG2 4.01Å
603G98.6Very high97.5Very high6 Ų648.8 Ų48.86%0.06224%0.238CC..Hα-helixtrans-83.5-8.4177.200000115.7I461 Y463 V487 A599 V600 K601I461-G603 WeakPolarHBondContact CG1-O 3.41Å; Y463-G603 VanDerWaalsContact OH-CA 3.28Å; Y463-G603 WeakPolarHBondContact OH-CA 3.29Å; Y463-G603 PolarHBondContact OH-N 3.34Å; V487-G603 WeakPolarHBondContact CG1-O 3.19Å; A599-G603 PolarHBondContact O-N 2.89Å; V600-G603 CarbonylContact O-C 3.58Å; V600-G603 PolarHBondContact O-N 3.39Å; V600-G603 VanDerWaalsContact O-N 3.13Å; K601-G603 VanDerWaalsContact C-N 3.26Å; K601-G603 PolarHBondContact O-N 3.22Å
604T98.6Very high97.4Very high81 Ų8144.1 Ų44.150%0.49722%0.216SC..Hα-helixtrans-123.8-34.4-173.251.20000113.3V487 V600 K601 L606V487-T604 HydrophobicContact CG1-CG2 4.31Å; V487-T604 HydrophobicContact CG2-CG2 3.98Å; V600-T604 HydrophobicContact CG1-CG2 4.32Å; V600-T604 WeakPolarHBondContact O-CB 3.48Å; V600-T604 WeakPolarHBondContact O-CG2 3.33Å; V600-T604 PolarHBondContact O-N 2.98Å; V600-T604 PolarHBondContact O-OG1 3.45Å; K601-T604 PolarHBondContact O-N 3.25Å; T604-L606 PolarHBondContact O-N 3.48Å
605D98Very high97.2Very high68 Ų6843.3 Ų43.336%0.36421%0.212SC..  trans-95.290.5173.7-175.9-14.5000109.4K601 E607 Y608 L609K601-D605 HydrophobicContact CG-CB 4.35Å; K601-D605 WeakPolarHBondContact O-CB 3.4Å; K601-D605 PolarHBondContact O-N 3.49Å; D605-E607 VanDerWaalsContact C-N 3.29Å; D605-E607 PolarHBondContact O-N 2.87Å; D605-E607 PolarHBondContact OD1-N 3.47Å; D605-Y608 PolarHBondContact O-N 2.95Å; D605-Y608 WeakPolarHBondContact OD1-CB 3.31Å; D605-Y608 PolarHBondContact OD1-N 3Å; D605-Y608 WeakPolarHBondContact OD2-CB 3.34Å; D605-L609 PolarHBondContact O-N 3.26Å
606L95.2Very high97.2Very high108 Ų10843.3 Ų43.357%0.56521%0.212SC*.Hα-helixtrans-67-27.8-175.1-59.8-175.4000113.3I461 T604 L609 K610I461-L606 HydrophobicContact CD1-CD2 4Å; T604-L606 PolarHBondContact O-N 3.48Å; L606-L609 HydrophobicContact CD2-CD2 4.4Å; L606-K610 VanDerWaalsContact O-CB 3.31Å; L606-K610 WeakPolarHBondContact O-CB 3.3Å; L606-K610 PolarHBondContact O-N 2.97Å
607E94Very high97.1Very high132 Ų13243.1 Ų43.162%0.61721%0.211SC*.Hα-helixtrans-73.4-39.8174.8-74.4-59.8126.800110.7D605 K610 K611D605-E607 VanDerWaalsContact C-N 3.29Å; D605-E607 PolarHBondContact O-N 2.87Å; D605-E607 PolarHBondContact OD1-N 3.47Å; E607-K610 PolarHBondContact O-N 3.44Å; E607-K611 WeakPolarHBondContact O-CB 3.41Å; E607-K611 PolarHBondContact O-N 3.33Å
608Y96.4Very high96.9Very high41 Ų4143.4 Ų43.416%0.16121%0.209CC..Hα-helixtrans-63-44.7171.2-175.2-109.3000111.8K601 L602 D605 K610 K611 V612K601-Y608 HydrophobicContact CD-CD1 3.95Å; K601-Y608 HydrophobicContact CD-CE1 3.9Å; K601-Y608 HydrophobicContact CG-CD1 3.86Å; K601-Y608 HydrophobicContact CG-CE1 4.18Å; L602-Y608 HydrophobicContact CD2-CD1 3.82Å; L602-Y608 HydrophobicContact CD2-CE1 3.77Å; L602-Y608 HydrophobicContact CG-CD1 4.38Å; L602-Y608 HydrophobicContact CG-CE1 4.21Å; D605-Y608 PolarHBondContact O-N 2.95Å; D605-Y608 WeakPolarHBondContact OD1-CB 3.31Å; D605-Y608 PolarHBondContact OD1-N 3Å; D605-Y608 WeakPolarHBondContact OD2-CB 3.34Å; Y608-K610 VanDerWaalsContact C-N 3.35Å; Y608-K610 PolarHBondContact O-N 2.65Å; Y608-K611 WeakPolarHBondContact O-CB 3.09Å; Y608-K611 PolarHBondContact O-N 3.39Å; Y608-V612 HydrophobicContact CD1-CG2 4.17Å; Y608-V612 HydrophobicContact CD2-CG2 4.31Å; Y608-V612 HydrophobicContact CE1-CG2 3.78Å; Y608-V612 HydrophobicContact CE2-CG2 3.93Å; Y608-V612 HydrophobicContact CG-CG2 4.42Å; Y608-V612 WeakPolarHBondContact O-CG2 3.33Å; Y608-V612 PolarHBondContact O-N 3.23Å
609L96.9Very high96.8Very high9 Ų945 Ų455%0.04722%0.216CC..Hα-helixtrans-55.5-50174.4178.161.5000111.3I461 D538 V539 L602 D605 L606 K611 V612 R613I461-L609 HydrophobicContact CD1-CD2 3.82Å; D538-L609 HydrophobicContact CB-CD2 4.14Å; V539-L609 HydrophobicContact CG2-CD1 3.74Å; L602-L609 HydrophobicContact CB-CD1 4.3Å; L602-L609 HydrophobicContact CD2-CD1 4.11Å; L602-L609 WeakPolarHBondContact O-CB 3.37Å; D605-L609 PolarHBondContact O-N 3.26Å; L606-L609 HydrophobicContact CD2-CD2 4.4Å; L609-K611 VanDerWaalsContact C-N 3.31Å; L609-K611 PolarHBondContact O-N 2.95Å; L609-V612 PolarHBondContact O-N 2.91Å; L609-R613 HydrophobicContact CD1-CG 3.93Å; L609-R613 HydrophobicContact CG-CG 4.29Å; L609-R613 WeakPolarHBondContact O-CB 3.27Å; L609-R613 VanDerWaalsContact O-CG 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.43Å; L609-R613 PolarHBondContact O-N 2.84Å
610K94.2Very high96.7Very high96 Ų9645 Ų4542%0.41722%0.216SC..Hα-helixtrans-57.8-43.1178.3-176.2178.7-179.8-179.80111.9L606 E607 Y608 G614L606-K610 VanDerWaalsContact O-CB 3.31Å; L606-K610 WeakPolarHBondContact O-CB 3.3Å; L606-K610 PolarHBondContact O-N 2.97Å; E607-K610 PolarHBondContact O-N 3.44Å; Y608-K610 VanDerWaalsContact C-N 3.35Å; Y608-K610 PolarHBondContact O-N 2.65Å; K610-G614 PolarHBondContact O-N 3.23Å
611K94.6Very high96.7Very high101 Ų10149 Ų4944%0.43924%0.236SC..Hα-helixtrans-61.4-48.2175.8170.5174.8157.51560111.8P378 E607 Y608 L609 G614 K615P378-K611 HydrophobicContact CB-CD 4.16Å; P378-K611 HydrophobicContact CB-CG 4.15Å; P378-K611 HydrophobicContact CG-CD 4.32Å; P378-K611 HydrophobicContact CG-CG 3.81Å; E607-K611 WeakPolarHBondContact O-CB 3.41Å; E607-K611 PolarHBondContact O-N 3.33Å; Y608-K611 WeakPolarHBondContact O-CB 3.09Å; Y608-K611 PolarHBondContact O-N 3.39Å; L609-K611 VanDerWaalsContact C-N 3.31Å; L609-K611 PolarHBondContact O-N 2.95Å; K611-G614 PolarHBondContact O-N 3.47Å; K611-K615 PolarHBondContact O-N 2.93Å
612V96.8Very high96.5Very high1 Ų147.9 Ų47.91%0.00624%0.24CC..Hα-helixtrans-68.8-42.3-178.1177.10000111.1P561 L587 L602 Y608 L609 G614 K615 V616P561-V612 HydrophobicContact CB-CG1 3.81Å; P561-V612 HydrophobicContact CG-CB 4.48Å; P561-V612 HydrophobicContact CG-CG1 3.77Å; L587-V612 HydrophobicContact CD1-CG1 4.06Å; L587-V612 HydrophobicContact CD2-CG1 4.04Å; L587-V612 HydrophobicContact CG-CG1 4.38Å; L602-V612 HydrophobicContact CD2-CB 3.98Å; L602-V612 HydrophobicContact CD2-CG1 4.14Å; L602-V612 HydrophobicContact CD2-CG2 4.01Å; Y608-V612 HydrophobicContact CD1-CG2 4.17Å; Y608-V612 HydrophobicContact CD2-CG2 4.31Å; Y608-V612 HydrophobicContact CE1-CG2 3.78Å; Y608-V612 HydrophobicContact CE2-CG2 3.93Å; Y608-V612 HydrophobicContact CG-CG2 4.42Å; Y608-V612 WeakPolarHBondContact O-CG2 3.33Å; Y608-V612 PolarHBondContact O-N 3.23Å; L609-V612 PolarHBondContact O-N 2.91Å; V612-G614 PolarHBondContact O-N 2.93Å; V612-K615 WeakPolarHBondContact O-CB 3.47Å; V612-K615 PolarHBondContact O-N 3.42Å; V612-V616 WeakPolarHBondContact O-CG2 3.45Å; V612-V616 PolarHBondContact O-N 2.94Å
613R96.6Very high96.5Very high11 Ų1148.3 Ų48.34%0.04224%0.243CC..Hα-helixtrans-59.1-45.3173.5-71.6179.16476.5-0.2111.8D350 A537 D538 P561 L609 K615 V616 W617D350-R613 IonicContact OD1-CZ 3.87Å; D350-R613 IonicContact OD1-NE 2.82Å; D350-R613 PolarHBondContact OD1-NE 2.87Å; D350-R613 IonicContact OD1-NH2 3.4Å; D350-R613 PolarHBondContact OD1-NH2 3.26Å; D350-R613 IonicContact OD2-CZ 3.67Å; D350-R613 VanDerWaalsContact OD2-CZ 3.27Å; D350-R613 IonicContact OD2-NE 3.39Å; D350-R613 PolarHBondContact OD2-NE 2.84Å; D350-R613 IonicContact OD2-NH2 2.82Å; D350-R613 PolarHBondContact OD2-NH2 3.03Å; A537-R613 PolarHBondContact O-NH1 3.31Å; D538-R613 PolarHBondContact O-NH1 2.92Å; P561-R613 HydrophobicContact CG-CB 4.36Å; P561-R613 HydrophobicContact CG-CG 3.63Å; L609-R613 HydrophobicContact CD1-CG 3.93Å; L609-R613 HydrophobicContact CG-CG 4.29Å; L609-R613 WeakPolarHBondContact O-CB 3.27Å; L609-R613 VanDerWaalsContact O-CG 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.43Å; L609-R613 PolarHBondContact O-N 2.84Å; R613-K615 VanDerWaalsContact C-N 3.32Å; R613-K615 PolarHBondContact O-N 3.48Å; R613-V616 PolarHBondContact O-N 3.21Å; R613-W617 VanDerWaalsContact O-CB 3.28Å; R613-W617 WeakPolarHBondContact O-CB 3.38Å; R613-W617 PolarHBondContact O-N 3.46Å
614G95Very high96.5Very high3 Ų349.5 Ų49.53%0.03125%0.249CC..Hα-helixtrans-59.2-42.6174.700000112.6K610 K611 V612 W617 K618K610-G614 PolarHBondContact O-N 3.23Å; K611-G614 PolarHBondContact O-N 3.47Å; V612-G614 PolarHBondContact O-N 2.93Å; G614-W617 PolarHBondContact O-N 3.45Å; G614-K618 WeakPolarHBondContact O-CB 3.48Å; G614-K618 PolarHBondContact O-N 3.39Å
615K96.2Very high96.5Very high40 Ų4045.7 Ų45.717%0.17423%0.226CC..Hα-helixtrans-60.2-51.9175.9-174.5-179.4174.7-175.20111.8P378 G583 E586 K611 V612 R613 W617 K618 Q619P378-K615 HydrophobicContact CG-CB 4.09Å; P378-K615 HydrophobicContact CG-CD 4.12Å; P378-K615 HydrophobicContact CG-CG 4.3Å; G583-K615 WeakPolarHBondContact O-CE 3.45Å; G583-K615 PolarHBondContact O-NZ 2.95Å; E586-K615 VanDerWaalsContact OE1-CD 3.28Å; E586-K615 WeakPolarHBondContact OE1-CD 3.47Å; E586-K615 IonicContact OE1-NZ 2.78Å; E586-K615 PolarHBondContact OE1-NZ 3.01Å; E586-K615 IonicContact OE2-NZ 2.83Å; E586-K615 PolarHBondContact OE2-NZ 3.31Å; K611-K615 PolarHBondContact O-N 2.93Å; V612-K615 WeakPolarHBondContact O-CB 3.47Å; V612-K615 PolarHBondContact O-N 3.42Å; R613-K615 VanDerWaalsContact C-N 3.32Å; R613-K615 PolarHBondContact O-N 3.48Å; K615-W617 VanDerWaalsContact C-N 3.35Å; K615-W617 PolarHBondContact O-N 3.23Å; K615-K618 PolarHBondContact O-N 3.26Å; K615-Q619 HydrophobicContact CG-CG 4.16Å; K615-Q619 VanDerWaalsContact O-CB 3.31Å; K615-Q619 WeakPolarHBondContact O-CB 3.37Å; K615-Q619 VanDerWaalsContact O-CG 3.24Å; K615-Q619 WeakPolarHBondContact O-CG 3.36Å; K615-Q619 PolarHBondContact O-N 3.49Å
616V97.4Very high96.5Very high0 Ų042.8 Ų42.80%021%0.21CC..Hα-helixtrans-60.4-45.5178.31750000110.7L556 P561 L582 V612 R613 K618 Q619 R620L556-V616 HydrophobicContact CD2-CG1 4.25Å; P561-V616 HydrophobicContact CB-CG2 4.3Å; P561-V616 HydrophobicContact CG-CG2 4.15Å; L582-V616 HydrophobicContact CD2-CG1 4.12Å; L582-V616 HydrophobicContact CD2-CG2 4.34Å; V612-V616 WeakPolarHBondContact O-CG2 3.45Å; V612-V616 PolarHBondContact O-N 2.94Å; R613-V616 PolarHBondContact O-N 3.21Å; V616-K618 VanDerWaalsContact C-N 3.3Å; V616-K618 PolarHBondContact O-N 2.87Å; V616-Q619 PolarHBondContact O-N 3.06Å; V616-R620 PolarHBondContact O-N 3.47Å
617W97.1Very high96.7Very high15 Ų1540.8 Ų40.86%0.05720%0.2CC..Hα-helixtrans-60.5-36.9-179.9-175.5-85.1000113.2K337 L391 A558 R613 G614 K615 R620K337-W617 HydrophobicContact CB-CH2 3.94Å; K337-W617 HydrophobicContact CB-CZ2 4.29Å; K337-W617 HydrophobicContact CD-CH2 3.73Å; K337-W617 HydrophobicContact CD-CZ2 4.3Å; K337-W617 HydrophobicContact CD-CZ3 3.9Å; K337-W617 HydrophobicContact CG-CH2 3.67Å; K337-W617 HydrophobicContact CG-CZ2 3.85Å; K337-W617 HydrophobicContact CG-CZ3 4.34Å; K337-W617 VanDerWaalsContact NZ-CZ3 3.34Å; L391-W617 HydrophobicContact CD2-CG 4.47Å; A558-W617 WeakPolarHBondContact O-CZ3 3.46Å; R613-W617 VanDerWaalsContact O-CB 3.28Å; R613-W617 WeakPolarHBondContact O-CB 3.38Å; R613-W617 PolarHBondContact O-N 3.46Å; G614-W617 PolarHBondContact O-N 3.45Å; K615-W617 VanDerWaalsContact C-N 3.35Å; K615-W617 PolarHBondContact O-N 3.23Å; W617-R620 VanDerWaalsContact CH2-NH2 3.26Å; W617-R620 WeakPolarHBondContact O-CG 3.5Å; W617-R620 PolarHBondContact O-NE 3.2Å
618K96Very high96.9Very high69 Ų6935.3 Ų35.330%0.318%0.175SC..Hα-helixtrans-73.7-52.1173.7-176-179.8175.5-177.20111.2C377 L391 G614 K615 V616 R620 I621 S622C377-K618 HydrophobicContact CB-CD 4.31Å; L391-K618 HydrophobicContact CD1-CB 3.62Å; L391-K618 HydrophobicContact CD1-CG 4.1Å; G614-K618 WeakPolarHBondContact O-CB 3.48Å; G614-K618 PolarHBondContact O-N 3.39Å; K615-K618 PolarHBondContact O-N 3.26Å; V616-K618 VanDerWaalsContact C-N 3.3Å; V616-K618 PolarHBondContact O-N 2.87Å; K618-R620 VanDerWaalsContact C-N 3.3Å; K618-R620 PolarHBondContact O-N 3.46Å; K618-I621 PolarHBondContact O-N 3.33Å; K618-S622 PolarHBondContact O-N 2.98Å; K618-S622 PolarHBondContact O-OG 3.31Å
619Q96.6Very high97Very high55 Ų5537.7 Ų37.726%0.25719%0.187SC..Hα-helixtrans-66.8-26.5-170.2-70.7-71.657.100113.6L582 K615 V616 I621 S622 S623L582-Q619 VanDerWaalsContact CD1-C 3.48Å; L582-Q619 HydrophobicContact CD1-CB 3.67Å; L582-Q619 HydrophobicContact CG-CB 3.96Å; L582-Q619 VanDerWaalsContact O-CB 3.3Å; L582-Q619 WeakPolarHBondContact O-CB 3.47Å; L582-Q619 WeakPolarHBondContact O-CG 3.41Å; L582-Q619 PolarHBondContact O-NE2 3.09Å; K615-Q619 HydrophobicContact CG-CG 4.16Å; K615-Q619 VanDerWaalsContact O-CB 3.31Å; K615-Q619 WeakPolarHBondContact O-CB 3.37Å; K615-Q619 VanDerWaalsContact O-CG 3.24Å; K615-Q619 WeakPolarHBondContact O-CG 3.36Å; K615-Q619 PolarHBondContact O-N 3.49Å; V616-Q619 PolarHBondContact O-N 3.06Å; Q619-I621 PolarHBondContact O-N 3.45Å; Q619-S622 PolarHBondContact O-N 3.17Å; Q619-S622 PolarHBondContact OE1-OG 2.84Å; Q619-S623 WeakPolarHBondContact O-CA 3.47Å; Q619-S623 WeakPolarHBondContact O-CB 3.34Å; Q619-S623 PolarHBondContact O-N 3.12Å; Q619-S623 PolarHBondContact O-OG 3Å
620R97.2Very high97.1Very high2 Ų240.1 Ų40.11%0.00820%0.198CC..Hα-helixtrans-60.1-18.7173.674.6-171.7179.2107.6-8.5113.6L334 K335 W557 L582 V616 W617 K618 F626L334-R620 PolarHBondContact O-NH1 3.48Å; L334-R620 PolarHBondContact O-NH2 3.3Å; K335-R620 PolarHBondContact O-NH2 2.97Å; W557-R620 HydrophobicContact CE3-CB 4.48Å; W557-R620 VanDerWaalsContact O-CD 3.31Å; W557-R620 WeakPolarHBondContact O-CD 3.47Å; W557-R620 PolarHBondContact O-NH1 3.34Å; L582-R620 HydrophobicContact CD1-CB 4.39Å; V616-R620 PolarHBondContact O-N 3.47Å; W617-R620 VanDerWaalsContact CH2-NH2 3.26Å; W617-R620 WeakPolarHBondContact O-CG 3.5Å; W617-R620 PolarHBondContact O-NE 3.2Å; K618-R620 VanDerWaalsContact C-N 3.3Å; K618-R620 PolarHBondContact O-N 3.46Å; R620-F626 HydrophobicContact CB-CD2 4.03Å; R620-F626 HydrophobicContact CB-CE2 3.96Å; R620-F626 WeakPolarHBondContact O-CD2 2.99Å
621I97Very high97.3Very high96 Ų9636.2 Ų36.249%0.49218%0.181SC..Hα-helixtrans-100.7-42.3177.3-53.2-58.9000111.5K335 W557 K618 Q619K335-I621 HydrophobicContact CG-CD1 4.26Å; W557-I621 HydrophobicContact CH2-CD1 3.82Å; W557-I621 HydrophobicContact CZ3-CD1 4.06Å; K618-I621 PolarHBondContact O-N 3.33Å; Q619-I621 PolarHBondContact O-N 3.45Å
622S95.9Very high97.5Very high72 Ų7231.4 Ų31.450%0.50316%0.16SC..Hα-helixtrans-87.4-19.9-175.747.70000114.8K618 Q619K618-S622 PolarHBondContact O-N 2.98Å; K618-S622 PolarHBondContact O-OG 3.31Å; Q619-S622 PolarHBondContact O-N 3.17Å; Q619-S622 PolarHBondContact OE1-OG 2.84Å
623S98.1Very high97.6Very high8 Ų835.7 Ų35.76%0.05618%0.181CC..SBendtrans-83.7164.1175.675.40000112Q619 L625Q619-S623 WeakPolarHBondContact O-CA 3.47Å; Q619-S623 WeakPolarHBondContact O-CB 3.34Å; Q619-S623 PolarHBondContact O-N 3.12Å; Q619-S623 PolarHBondContact O-OG 3Å; S623-L625 PolarHBondContact O-N 3.2Å; S623-L625 PolarHBondContact OG-N 3.04Å
624P98.5Very high97.7Very high31 Ų3136.8 Ų36.820%0.20119%0.186CC..G310 helixtrans-68-13.5177.3-20.434.3000114.6H320 F626 N627H320-P624 VanDerWaalsContact CD2-CG 3.49Å; H320-P624 WeakPolarHBondContact CD2-CG 3.44Å; P624-F626 VanDerWaalsContact C-N 3.28Å; P624-F626 PolarHBondContact O-N 3.36Å; P624-F626 VanDerWaalsContact O-N 3.12Å; P624-N627 PolarHBondContact O-N 2.97Å
625L98.7Very high97.9Very high1 Ų136.7 Ų36.71%0.00519%0.185CC..G310 helixtrans-57.2-35.3-165.4-17562.8000114.6T321 M553 L556 Q578 C581 L582 S623T321-L625 HydrophobicContact CG2-CD1 3.86Å; M553-L625 HydrophobicContact CE-CD1 3.68Å; M553-L625 HydrophobicContact CE-CD2 4.3Å; M553-L625 HydrophobicContact CE-CG 3.61Å; M553-L625 WeakPolarHBondContact CE-O 3.46Å; M553-L625 HydrophobicContact SD-CD1 3.79Å; M553-L625 HydrophobicContact SD-CD2 4.25Å; M553-L625 HydrophobicContact SD-CG 4.05Å; L556-L625 HydrophobicContact CD1-CD2 3.78Å; Q578-L625 HydrophobicContact CB-CD1 4.23Å; Q578-L625 HydrophobicContact CG-CD1 4.33Å; C581-L625 HydrophobicContact CB-CD1 4.22Å; L582-L625 HydrophobicContact CB-CD2 4.15Å; L582-L625 HydrophobicContact CD1-CD2 4.05Å; S623-L625 PolarHBondContact O-N 3.2Å; S623-L625 PolarHBondContact OG-N 3.04Å
626F98.8Very high98Very high8 Ų835.5 Ų35.54%0.03518%0.18CC..G310 helixtrans-115.213.9177.7-62.8-84.5000112.5H327 M553 L556 W557 R620 P624 T628H327-F626 HydrophobicContact CB-CD1 3.87Å; H327-F626 HydrophobicContact CB-CE1 3.89Å; H327-F626 AromaticContact CG-CE1 3.66Å; H327-F626 AromaticContact ND1-CD1 3.88Å; H327-F626 AromaticContact ND1-CE1 3.53Å; M553-F626 HydrophobicContact CB-CE1 4.06Å; M553-F626 HydrophobicContact CB-CZ 4.33Å; M553-F626 HydrophobicContact CE-CD1 3.79Å; M553-F626 HydrophobicContact CE-CE1 3.47Å; M553-F626 VanDerWaalsContact CE-CE1 3.47Å; M553-F626 HydrophobicContact CE-CE2 4.39Å; M553-F626 HydrophobicContact CE-CG 4.39Å; M553-F626 HydrophobicContact CE-CZ 3.79Å; M553-F626 WeakPolarHBondContact O-CZ 3.5Å; M553-F626 HydrophobicContact SD-CE1 4.49Å; M553-F626 HydrophobicContact SD-CZ 4.43Å; L556-F626 HydrophobicContact CB-CE2 4.33Å; L556-F626 HydrophobicContact CB-CZ 4.19Å; W557-F626 HydrophobicContact CB-CE1 4.01Å; W557-F626 HydrophobicContact CB-CZ 3.88Å; W557-F626 HydrophobicContact CD2-CD1 4.49Å; W557-F626 HydrophobicContact CD2-CE1 4.43Å; W557-F626 HydrophobicContact CE3-CB 4.16Å; W557-F626 AromaticContact CE3-CD1 3.65Å; W557-F626 HydrophobicContact CE3-CD1 3.65Å; W557-F626 AromaticContact CE3-CD2 3.71Å; W557-F626 HydrophobicContact CE3-CD2 3.71Å; W557-F626 AromaticContact CE3-CE1 3.86Å; W557-F626 HydrophobicContact CE3-CE1 3.86Å; W557-F626 AromaticContact CE3-CE2 3.93Å; W557-F626 HydrophobicContact CE3-CE2 3.93Å; W557-F626 AromaticContact CE3-CG 3.57Å; W557-F626 HydrophobicContact CE3-CG 3.57Å; W557-F626 AromaticContact CE3-CZ 4Å; W557-F626 HydrophobicContact CE3-CZ 4Å; W557-F626 HydrophobicContact CZ3-CB 3.78Å; W557-F626 HydrophobicContact CZ3-CD1 4.14Å; W557-F626 HydrophobicContact CZ3-CD2 4.01Å; W557-F626 AromaticContact CZ3-CG 3.72Å; W557-F626 HydrophobicContact CZ3-CG 3.72Å; R620-F626 HydrophobicContact CB-CD2 4.03Å; R620-F626 HydrophobicContact CB-CE2 3.96Å; R620-F626 WeakPolarHBondContact O-CD2 2.99Å; P624-F626 VanDerWaalsContact C-N 3.28Å; P624-F626 PolarHBondContact O-N 3.36Å; P624-F626 VanDerWaalsContact O-N 3.12Å; F626-T628 PolarHBondContact O-N 3Å
627N98.7Very high98.1Very high66 Ų6640.5 Ų40.535%0.35320%0.199SC..  trans-89.983.3178.3-170.8-14.7000110P624 K629 Q630 Y631P624-N627 PolarHBondContact O-N 2.97Å; N627-K629 PolarHBondContact O-N 3.27Å; N627-K629 PolarHBondContact OD1-N 3.14Å; N627-Q630 HydrophobicContact CB-CB 4.07Å; N627-Q630 VanDerWaalsContact CG-CB 3.46Å; N627-Q630 WeakPolarHBondContact ND2-CB 3.23Å; N627-Q630 PolarHBondContact ND2-OE1 3.44Å; N627-Q630 PolarHBondContact O-N 3.34Å; N627-Q630 PolarHBondContact OD1-N 3.41Å; N627-Q630 VanDerWaalsContact OD1-N 3.1Å; N627-Y631 WeakPolarHBondContact O-CB 3.29Å; N627-Y631 PolarHBondContact O-N 3.26Å
628T98.7Very high98.1Very high16 Ų1640 Ų4010%0.09820%0.197CC..Hα-helixtrans-59.7-31.4-178.446.70000113.3M199 I324 F626 T632M199-T628 WeakPolarHBondContact CE-OG1 3.31Å; M199-T628 VanDerWaalsContact SD-C 3.54Å; M199-T628 PolarHBondContact SD-OG1 2.9Å; M199-T628 VanDerWaalsContact SD-OG1 3.38Å; I324-T628 HydrophobicContact CD1-CG2 4.14Å; I324-T628 HydrophobicContact CG1-CG2 3.97Å; F626-T628 PolarHBondContact O-N 3Å; T628-T632 WeakPolarHBondContact O-CB 3.47Å; T628-T632 PolarHBondContact O-N 3.19Å; T628-T632 PolarHBondContact O-OG1 3.28Å
629K98.7Very high98.3Very high91 Ų9136.7 Ų36.740%0.39618%0.183SC..Hα-helixtrans-71-48.1177.7-177.256.5177.6173.40111.6M199 N627 Y631 T632 M633M199-K629 HydrophobicContact CB-CD 4.23Å; M199-K629 HydrophobicContact CG-CD 4.35Å; M199-K629 PolarHBondContact O-NZ 3.25Å; M199-K629 HydrophobicContact SD-CB 4.07Å; M199-K629 PolarHBondContact SD-N 3.4Å; N627-K629 PolarHBondContact O-N 3.27Å; N627-K629 PolarHBondContact OD1-N 3.14Å; K629-Y631 VanDerWaalsContact C-N 3.32Å; K629-Y631 PolarHBondContact O-N 2.97Å; K629-T632 PolarHBondContact O-N 3.48Å; K629-M633 WeakPolarHBondContact O-CG 3.46Å; K629-M633 PolarHBondContact O-N 3Å; K629-M633 VanDerWaalsContact O-N 3.11Å
630Q98.7Very high98.4Very high60 Ų6036.5 Ų36.528%0.2818%0.184SC..Hα-helixtrans-59.9-46.1174.2-178.5-178.5-7.700110.4N627 T632 M633 E634N627-Q630 HydrophobicContact CB-CB 4.07Å; N627-Q630 VanDerWaalsContact CG-CB 3.46Å; N627-Q630 WeakPolarHBondContact ND2-CB 3.23Å; N627-Q630 PolarHBondContact ND2-OE1 3.44Å; N627-Q630 PolarHBondContact O-N 3.34Å; N627-Q630 PolarHBondContact OD1-N 3.41Å; N627-Q630 VanDerWaalsContact OD1-N 3.1Å; Q630-T632 VanDerWaalsContact C-N 3.29Å; Q630-T632 PolarHBondContact O-N 3.31Å; Q630-M633 PolarHBondContact O-N 3.01Å; Q630-M633 VanDerWaalsContact O-N 3.16Å; Q630-E634 HydrophobicContact CG-CG 4.47Å; Q630-E634 WeakPolarHBondContact O-CG 3.43Å; Q630-E634 PolarHBondContact O-N 2.87Å
631Y98.8Very high98.4Very high15 Ų1539.4 Ų39.46%0.05920%0.197CC..Hα-helixtrans-54.4-45.8176.5-175.7-80.3000112.1I196 W281 M318 F322 I324 N627 K629 M633 E634 L635I196-Y631 HydrophobicContact CD1-CD1 3.58Å; I196-Y631 HydrophobicContact CD1-CE1 3.63Å; W281-Y631 AromaticContact CZ2-CE1 3.82Å; W281-Y631 HydrophobicContact CZ2-CE1 3.82Å; W281-Y631 AromaticContact NE1-CZ 3.96Å; W281-Y631 PolarHBondContact NE1-OH 3.36Å; M318-Y631 HydrophobicContact CE-CD1 4.26Å; M318-Y631 HydrophobicContact CE-CD2 3.91Å; M318-Y631 HydrophobicContact CE-CE1 4.06Å; M318-Y631 HydrophobicContact CE-CE2 3.73Å; M318-Y631 HydrophobicContact CE-CG 4.18Å; F322-Y631 WeakPolarHBondContact O-CE2 3.49Å; F322-Y631 PolarHBondContact O-OH 3.44Å; I324-Y631 HydrophobicContact CB-CD1 4.33Å; I324-Y631 HydrophobicContact CB-CD2 3.79Å; I324-Y631 HydrophobicContact CB-CE1 4.32Å; I324-Y631 HydrophobicContact CB-CE2 3.74Å; I324-Y631 HydrophobicContact CB-CG 4.08Å; I324-Y631 HydrophobicContact CD1-CD2 3.73Å; I324-Y631 HydrophobicContact CD1-CG 3.75Å; I324-Y631 HydrophobicContact CG1-CD1 4.13Å; I324-Y631 HydrophobicContact CG1-CD2 3.89Å; I324-Y631 HydrophobicContact CG1-CE2 4.34Å; I324-Y631 HydrophobicContact CG1-CG 3.76Å; I324-Y631 HydrophobicContact CG2-CE1 4.28Å; I324-Y631 HydrophobicContact CG2-CE2 4.37Å; N627-Y631 WeakPolarHBondContact O-CB 3.29Å; N627-Y631 PolarHBondContact O-N 3.26Å; K629-Y631 VanDerWaalsContact C-N 3.32Å; K629-Y631 PolarHBondContact O-N 2.97Å; Y631-M633 PolarHBondContact O-N 3.41Å; Y631-E634 PolarHBondContact O-N 3.3Å; Y631-L635 HydrophobicContact CE1-CB 4.43Å; Y631-L635 HydrophobicContact CE1-CD2 4.18Å; Y631-L635 WeakPolarHBondContact O-CB 3.4Å; Y631-L635 PolarHBondContact O-N 3.22Å
632T98.9Very high98.5Very high0 Ų034.9 Ų34.90%017%0.174CC..Hα-helixtrans-62.8-42.5179.6-54.50000111.4I196 M199 T628 K629 Q630 E634 L635 E636I196-T632 HydrophobicContact CG2-CG2 4.24Å; M199-T632 HydrophobicContact CB-CG2 3.96Å; T628-T632 WeakPolarHBondContact O-CB 3.47Å; T628-T632 PolarHBondContact O-N 3.19Å; T628-T632 PolarHBondContact O-OG1 3.28Å; K629-T632 PolarHBondContact O-N 3.48Å; Q630-T632 VanDerWaalsContact C-N 3.29Å; Q630-T632 PolarHBondContact O-N 3.31Å; T632-E634 VanDerWaalsContact C-N 3.33Å; T632-E634 PolarHBondContact O-N 3.1Å; T632-L635 WeakPolarHBondContact O-CB 3.31Å; T632-L635 PolarHBondContact O-N 3.23Å; T632-E636 WeakPolarHBondContact O-CB 3.37Å; T632-E636 VanDerWaalsContact O-CG 3.24Å; T632-E636 WeakPolarHBondContact O-CG 3.4Å; T632-E636 PolarHBondContact O-N 3.3Å
633M98.7Very high98.6Very high91 Ų9131.7 Ų31.745%0.44815%0.151SC..Hα-helixtrans-64-36.8176.6-68.4173.459.500112.8K629 Q630 Y631 E636 R637K629-M633 WeakPolarHBondContact O-CG 3.46Å; K629-M633 PolarHBondContact O-N 3Å; K629-M633 VanDerWaalsContact O-N 3.11Å; Q630-M633 PolarHBondContact O-N 3.01Å; Q630-M633 VanDerWaalsContact O-N 3.16Å; Y631-M633 PolarHBondContact O-N 3.41Å; M633-E636 WeakPolarHBondContact O-CB 3.49Å; M633-R637 PolarHBondContact O-N 3.32Å
634E98.5Very high98.7Very high34 Ų3436.8 Ų36.816%0.15917%0.174CC..Hα-helixtrans-70.5-37.8175.6-66-55.2147.600112M318 P319 Q630 Y631 T632 E636 R637 L638M318-E634 HydrophobicContact CE-CB 3.79Å; P319-E634 HydrophobicContact CG-CB 3.93Å; P319-E634 HydrophobicContact CG-CG 3.66Å; P319-E634 WeakPolarHBondContact CG-OE2 3.44Å; Q630-E634 HydrophobicContact CG-CG 4.47Å; Q630-E634 WeakPolarHBondContact O-CG 3.43Å; Q630-E634 PolarHBondContact O-N 2.87Å; Y631-E634 PolarHBondContact O-N 3.3Å; T632-E634 VanDerWaalsContact C-N 3.33Å; T632-E634 PolarHBondContact O-N 3.1Å; E634-E636 VanDerWaalsContact C-N 3.34Å; E634-R637 PolarHBondContact O-N 2.96Å; E634-R637 IonicContact OE1-CZ 3.72Å; E634-R637 IonicContact OE1-NH1 2.71Å; E634-R637 PolarHBondContact OE1-NH1 3.45Å; E634-R637 IonicContact OE1-NH2 3.97Å; E634-R637 IonicContact OE2-CZ 3.71Å; E634-R637 IonicContact OE2-NH1 2.61Å; E634-R637 PolarHBondContact OE2-NH1 2.92Å; E634-L638 PolarHBondContact O-N 3.14Å
635L98.8Very high98.6Very high0 Ų037.6 Ų37.60%018%0.175CC..Hα-helixtrans-64.3-41.2174.6-17266.6000111.1Y179 I196 W281 I297 M318 Y631 T632 L638 Y639Y179-L635 WeakPolarHBondContact OH-CD2 3.46Å; I196-L635 HydrophobicContact CG2-CD2 4.3Å; W281-L635 HydrophobicContact CH2-CD2 4.47Å; W281-L635 HydrophobicContact CZ2-CD2 4.15Å; I297-L635 HydrophobicContact CD1-CD1 3.91Å; I297-L635 HydrophobicContact CG2-CD1 4.23Å; M318-L635 HydrophobicContact CE-CB 4.08Å; M318-L635 HydrophobicContact SD-CB 4.28Å; M318-L635 HydrophobicContact SD-CD1 3.88Å; Y631-L635 HydrophobicContact CE1-CB 4.43Å; Y631-L635 HydrophobicContact CE1-CD2 4.18Å; Y631-L635 WeakPolarHBondContact O-CB 3.4Å; Y631-L635 PolarHBondContact O-N 3.22Å; T632-L635 WeakPolarHBondContact O-CB 3.31Å; T632-L635 PolarHBondContact O-N 3.23Å; L635-L638 WeakPolarHBondContact O-CB 3.36Å; L635-L638 PolarHBondContact O-N 2.9Å; L635-Y639 HydrophobicContact CD1-CE1 4Å; L635-Y639 HydrophobicContact CD1-CE2 4.38Å; L635-Y639 HydrophobicContact CD2-CE2 3.95Å; L635-Y639 WeakPolarHBondContact CD2-OH 3.38Å; L635-Y639 HydrophobicContact CG-CD2 4.32Å; L635-Y639 HydrophobicContact CG-CE1 4.17Å; L635-Y639 HydrophobicContact CG-CE2 3.65Å; L635-Y639 WeakPolarHBondContact O-CD2 3.07Å; L635-Y639 VanDerWaalsContact O-CG 3.27Å; L635-Y639 PolarHBondContact O-N 3.47Å
636E98.8Very high98.6Very high15 Ų1540.3 Ų40.37%0.0719%0.185CC..Hα-helixtrans-59.6-44.7172.7-77.1178.615900112.5H200 N201 F205 T632 M633 E634 L638 Y639 L640H200-E636 WeakPolarHBondContact CA-OE1 3.27Å; H200-E636 IonicContact CE1-OE1 3.56Å; H200-E636 IonicContact CG-OE1 3.9Å; H200-E636 VanDerWaalsContact ND1-CG 3.33Å; H200-E636 WeakPolarHBondContact ND1-CG 3.34Å; H200-E636 IonicContact ND1-OE1 2.86Å; H200-E636 PolarHBondContact ND1-OE1 3.49Å; N201-E636 PolarHBondContact N-OE1 3.27Å; F205-E636 HydrophobicContact CD1-CG 4.33Å; F205-E636 HydrophobicContact CD2-CB 4.35Å; F205-E636 HydrophobicContact CD2-CG 3.72Å; F205-E636 VanDerWaalsContact CD2-OE1 3.25Å; F205-E636 WeakPolarHBondContact CD2-OE1 3.48Å; F205-E636 HydrophobicContact CE1-CB 4.12Å; F205-E636 HydrophobicContact CE1-CG 3.99Å; F205-E636 HydrophobicContact CE2-CB 3.49Å; F205-E636 VanDerWaalsContact CE2-CB 3.49Å; F205-E636 VanDerWaalsContact CE2-CD 3.44Å; F205-E636 HydrophobicContact CE2-CG 3.36Å; F205-E636 HydrophobicContact CG-CG 4.21Å; F205-E636 HydrophobicContact CZ-CB 3.35Å; F205-E636 HydrophobicContact CZ-CG 3.52Å; F205-E636 WeakPolarHBondContact CZ-O 3.28Å; T632-E636 WeakPolarHBondContact O-CB 3.37Å; T632-E636 VanDerWaalsContact O-CG 3.24Å; T632-E636 WeakPolarHBondContact O-CG 3.4Å; T632-E636 PolarHBondContact O-N 3.3Å; M633-E636 WeakPolarHBondContact O-CB 3.49Å; E634-E636 VanDerWaalsContact C-N 3.34Å; E636-L638 VanDerWaalsContact C-N 3.3Å; E636-L638 PolarHBondContact O-N 3.31Å; E636-Y639 PolarHBondContact O-N 2.98Å; E636-L640 WeakPolarHBondContact O-CG 3.41Å; E636-L640 PolarHBondContact O-N 3.42Å
637R98.5Very high98.6Very high105 Ų10542.1 Ų42.140%0.39620%0.202SC..Hα-helixtrans-60.4-43.6175.7-174.6179-66.7131.61.3111.1M633 E634 L640 Q641M633-R637 PolarHBondContact O-N 3.32Å; E634-R637 PolarHBondContact O-N 2.96Å; E634-R637 IonicContact OE1-CZ 3.72Å; E634-R637 IonicContact OE1-NH1 2.71Å; E634-R637 PolarHBondContact OE1-NH1 3.45Å; E634-R637 IonicContact OE1-NH2 3.97Å; E634-R637 IonicContact OE2-CZ 3.71Å; E634-R637 IonicContact OE2-NH1 2.61Å; E634-R637 PolarHBondContact OE2-NH1 2.92Å; R637-L640 PolarHBondContact O-N 3.36Å; R637-Q641 WeakPolarHBondContact O-CG 3.2Å; R637-Q641 PolarHBondContact O-N 3.28Å; R637-Q641 VanDerWaalsContact O-N 3.08Å
638L98.7Very high98.6Very high5 Ų542.4 Ų42.43%0.02621%0.213CC..Hα-helixtrans-63.5-41.3177.1-173.561.9000111.8I297 A316 M318 E634 L635 E636 L640 Q641 M642 M655I297-L638 HydrophobicContact CG1-CD2 4.33Å; I297-L638 HydrophobicContact CG2-CD2 3.95Å; A316-L638 HydrophobicContact CB-CD1 4.11Å; A316-L638 HydrophobicContact CB-CD2 4.05Å; A316-L638 HydrophobicContact CB-CG 4.38Å; M318-L638 HydrophobicContact CG-CD2 4.47Å; M318-L638 HydrophobicContact SD-CD2 3.93Å; E634-L638 PolarHBondContact O-N 3.14Å; L635-L638 WeakPolarHBondContact O-CB 3.36Å; L635-L638 PolarHBondContact O-N 2.9Å; E636-L638 VanDerWaalsContact C-N 3.3Å; E636-L638 PolarHBondContact O-N 3.31Å; L638-L640 PolarHBondContact O-N 2.9Å; L638-Q641 WeakPolarHBondContact O-CB 3.22Å; L638-Q641 PolarHBondContact O-N 2.93Å; L638-M642 HydrophobicContact CD2-CE 4.26Å; L638-M642 HydrophobicContact CG-CE 4.05Å; L638-M642 WeakPolarHBondContact O-CG 3.3Å; L638-M642 PolarHBondContact O-N 3.12Å; L638-M655 HydrophobicContact CD1-CB 4.15Å
639Y98.8Very high98.5Very high0 Ų044.9 Ų44.90%024%0.242CC..Hα-helixtrans-61.8-41.8174.7-70.5-22.5000113.1V177 Y179 F205 I254 V256 I297 L635 E636 Q641 M642 W643V177-Y639 HydrophobicContact CG1-CD2 4.43Å; V177-Y639 HydrophobicContact CG1-CE2 3.83Å; V177-Y639 HydrophobicContact CG2-CD2 3.9Å; V177-Y639 HydrophobicContact CG2-CE2 4.12Å; Y179-Y639 WeakPolarHBondContact CE1-OH 3.34Å; Y179-Y639 WeakPolarHBondContact OH-CE2 3.3Å; Y179-Y639 PolarHBondContact OH-OH 3.37Å; F205-Y639 HydrophobicContact CE1-CD2 4.28Å; I254-Y639 HydrophobicContact CD1-CD1 3.86Å; I254-Y639 HydrophobicContact CD1-CG 3.95Å; I254-Y639 WeakPolarHBondContact CD1-O 3.37Å; I254-Y639 HydrophobicContact CG2-CD1 4.31Å; I254-Y639 HydrophobicContact CG2-CE1 4.3Å; V256-Y639 HydrophobicContact CG2-CE1 4.43Å; I297-Y639 HydrophobicContact CD1-CE1 3.72Å; L635-Y639 HydrophobicContact CD1-CE1 4Å; L635-Y639 HydrophobicContact CD1-CE2 4.38Å; L635-Y639 HydrophobicContact CD2-CE2 3.95Å; L635-Y639 WeakPolarHBondContact CD2-OH 3.38Å; L635-Y639 HydrophobicContact CG-CD2 4.32Å; L635-Y639 HydrophobicContact CG-CE1 4.17Å; L635-Y639 HydrophobicContact CG-CE2 3.65Å; L635-Y639 WeakPolarHBondContact O-CD2 3.07Å; L635-Y639 VanDerWaalsContact O-CG 3.27Å; L635-Y639 PolarHBondContact O-N 3.47Å; E636-Y639 PolarHBondContact O-N 2.98Å; Y639-Q641 VanDerWaalsContact C-N 3.32Å; Y639-Q641 PolarHBondContact O-N 3.03Å; Y639-M642 HydrophobicContact CD1-SD 4.18Å; Y639-M642 PolarHBondContact O-N 3.17Å; Y639-W643 WeakPolarHBondContact O-CB 3.49Å; Y639-W643 PolarHBondContact O-N 3.4Å
640L98.6Very high98.5Very high51 Ų5144.2 Ų44.227%0.26724%0.243SC..Hα-helixtrans-63.1-40175-69.6169.3000111.3F205 E636 R637 L638 M642 W643 E644F205-L640 HydrophobicContact CZ-CD1 4.1Å; F205-L640 HydrophobicContact CZ-CD2 4.27Å; F205-L640 HydrophobicContact CZ-CG 3.89Å; E636-L640 WeakPolarHBondContact O-CG 3.41Å; E636-L640 PolarHBondContact O-N 3.42Å; R637-L640 PolarHBondContact O-N 3.36Å; L638-L640 PolarHBondContact O-N 2.9Å; L640-M642 PolarHBondContact O-N 3.03Å; L640-W643 PolarHBondContact O-N 3.25Å; L640-E644 WeakPolarHBondContact O-CB 3.43Å; L640-E644 VanDerWaalsContact O-CG 3.27Å; L640-E644 WeakPolarHBondContact O-CG 3.25Å; L640-E644 PolarHBondContact O-N 3.31Å
641Q98.3Very high98.5Very high63 Ų6350 Ų5029%0.29427%0.267SS..Hα-helixtrans-60.8-45.1174.8-68.9172.4500112.2R637 L638 Y639 W643 H645 M655 V659R637-Q641 WeakPolarHBondContact O-CG 3.2Å; R637-Q641 PolarHBondContact O-N 3.28Å; R637-Q641 VanDerWaalsContact O-N 3.08Å; L638-Q641 WeakPolarHBondContact O-CB 3.22Å; L638-Q641 PolarHBondContact O-N 2.93Å; Y639-Q641 VanDerWaalsContact C-N 3.32Å; Y639-Q641 PolarHBondContact O-N 3.03Å; Q641-W643 VanDerWaalsContact C-N 3.34Å; Q641-W643 PolarHBondContact O-N 2.91Å; Q641-H645 VanDerWaalsContact O-CB 3.32Å; Q641-H645 WeakPolarHBondContact O-CB 3.49Å; Q641-H645 PolarHBondContact O-N 3.42Å; Q641-H645 VanDerWaalsContact O-N 3.13Å; Q641-M655 HydrophobicContact CB-SD 4.43Å; Q641-V659 VanDerWaalsContact NE2-CG2 3.35Å
642M98.7Very high98.5Very high0 Ų051.4 Ų51.40%028%0.278CS..Hα-helixtrans-59.2-46.7175.3-67.3175.1176.300111.2I254 I277 Y295 I297 A316 L638 Y639 L640 Y646I254-M642 HydrophobicContact CD1-CB 4.23Å; I254-M642 HydrophobicContact CD1-SD 4.4Å; I277-M642 HydrophobicContact CD1-CB 4.18Å; I277-M642 WeakPolarHBondContact CD1-O 3.31Å; I277-M642 HydrophobicContact CG2-CB 4.42Å; I277-M642 HydrophobicContact CG2-SD 4.41Å; Y295-M642 HydrophobicContact CD1-CE 4.17Å; Y295-M642 HydrophobicContact CD2-CE 4.19Å; Y295-M642 HydrophobicContact CD2-CG 4.22Å; Y295-M642 HydrophobicContact CD2-SD 4.1Å; Y295-M642 HydrophobicContact CE2-CB 4.38Å; Y295-M642 HydrophobicContact CE2-CG 4.09Å; Y295-M642 HydrophobicContact CG-CE 3.81Å; Y295-M642 HydrophobicContact CG-SD 4.33Å; I297-M642 HydrophobicContact CD1-CE 4.42Å; I297-M642 HydrophobicContact CG1-CE 4.02Å; A316-M642 HydrophobicContact CB-CE 3.3Å; L638-M642 HydrophobicContact CD2-CE 4.26Å; L638-M642 HydrophobicContact CG-CE 4.05Å; L638-M642 WeakPolarHBondContact O-CG 3.3Å; L638-M642 PolarHBondContact O-N 3.12Å; Y639-M642 HydrophobicContact CD1-SD 4.18Å; Y639-M642 PolarHBondContact O-N 3.17Å; L640-M642 PolarHBondContact O-N 3.03Å; M642-Y646 PolarHBondContact O-N 3.08Å; M642-Y646 VanDerWaalsContact O-N 3.13Å
643W98.7Very high98.5Very high5 Ų555.1 Ų55.12%0.01930%0.298CS..Hα-helixtrans-66.4-49.4-177.9177.2-106.6000112.8P165 L168 L175 H253 P276 I277 Y639 L640 Q641 H645 Y646 A647P165-W643 WeakPolarHBondContact O-CH2 3.18Å; L168-W643 HydrophobicContact CD2-CD2 4.22Å; L168-W643 VanDerWaalsContact CD2-CE2 3.47Å; L168-W643 HydrophobicContact CD2-CH2 4.41Å; L168-W643 HydrophobicContact CD2-CZ2 3.57Å; L168-W643 HydrophobicContact CG-CZ2 4.13Å; L175-W643 HydrophobicContact CD1-CB 3.86Å; L175-W643 HydrophobicContact CD1-CD2 3.63Å; L175-W643 HydrophobicContact CD1-CE3 3.99Å; L175-W643 HydrophobicContact CD1-CG 3.54Å; L175-W643 HydrophobicContact CD2-CB 4.23Å; H253-W643 HydrophobicContact CB-CE3 3.88Å; H253-W643 HydrophobicContact CB-CZ3 3.81Å; H253-W643 AromaticContact CD2-CH2 3.38Å; H253-W643 WeakPolarHBondContact CD2-CH2 3.5Å; H253-W643 AromaticContact CD2-CZ2 3.91Å; H253-W643 AromaticContact CD2-CZ3 3.56Å; P276-W643 HydrophobicContact CG-CZ3 4.1Å; I277-W643 HydrophobicContact CD1-CE3 4.07Å; Y639-W643 WeakPolarHBondContact O-CB 3.49Å; Y639-W643 PolarHBondContact O-N 3.4Å; L640-W643 PolarHBondContact O-N 3.25Å; Q641-W643 VanDerWaalsContact C-N 3.34Å; Q641-W643 PolarHBondContact O-N 2.91Å; W643-H645 VanDerWaalsContact C-N 3.25Å; W643-H645 PolarHBondContact O-N 3.19Å; W643-Y646 AromaticContact CE3-CD1 4Å; W643-Y646 HydrophobicContact CE3-CD1 4Å; W643-Y646 HydrophobicContact CH2-CD1 4.09Å; W643-Y646 HydrophobicContact CH2-CE1 4.15Å; W643-Y646 AromaticContact CZ3-CD1 3.58Å; W643-Y646 HydrophobicContact CZ3-CD1 3.58Å; W643-Y646 AromaticContact CZ3-CE1 3.87Å; W643-Y646 HydrophobicContact CZ3-CE1 3.87Å; W643-Y646 PolarHBondContact O-N 2.92Å; W643-Y646 VanDerWaalsContact O-N 3.14Å; W643-A647 WeakPolarHBondContact O-CB 3.36Å; W643-A647 PolarHBondContact O-N 2.91Å
644E98.4Very high98.5Very high115 Ų11554 Ų5454%0.53729%0.292SS..Hα-helixtrans-60-38.5179.1-70.4-59.8147.900111.4L640 A647 A648L640-E644 WeakPolarHBondContact O-CB 3.43Å; L640-E644 VanDerWaalsContact O-CG 3.27Å; L640-E644 WeakPolarHBondContact O-CG 3.25Å; L640-E644 PolarHBondContact O-N 3.31Å; E644-A647 PolarHBondContact O-N 3.24Å; E644-A648 WeakPolarHBondContact O-CB 3.46Å; E644-A648 PolarHBondContact O-N 3.19Å
645H98.4Very high98.5Very high48 Ų4853.7 Ų53.722%0.22229%0.29CS..Hα-helixtrans-62.7-44.9175.5-173.374.3000112.3Q641 W643 N650 K651 M655Q641-H645 VanDerWaalsContact O-CB 3.32Å; Q641-H645 WeakPolarHBondContact O-CB 3.49Å; Q641-H645 PolarHBondContact O-N 3.42Å; Q641-H645 VanDerWaalsContact O-N 3.13Å; W643-H645 VanDerWaalsContact C-N 3.25Å; W643-H645 PolarHBondContact O-N 3.19Å; H645-N650 WeakPolarHBondContact CE1-CB 3.34Å; H645-N650 VanDerWaalsContact NE2-CB 3.29Å; H645-N650 WeakPolarHBondContact NE2-CB 3.44Å; H645-N650 WeakPolarHBondContact O-CB 3.12Å; H645-N650 PolarHBondContact O-N 3.42Å; H645-N650 PolarHBondContact O-ND2 3.18Å; H645-K651 PolarHBondContact CD2-O 3.44Å; H645-K651 PolarHBondContact NE2-O 3.35Å; H645-M655 HydrophobicContact CB-CE 3.5Å; H645-M655 VanDerWaalsContact CB-CE 3.5Å; H645-M655 VanDerWaalsContact CG-CE 3.45Å
646Y98.5Very high98.3Very high58 Ų5856.7 Ų56.723%0.22731%0.306CS..Hα-helixtrans-65.6-45.3174.9172.2-94.6000112.3P276 I277 M642 W643 A648 G649P276-Y646 HydrophobicContact CB-CD1 4.28Å; P276-Y646 HydrophobicContact CB-CD2 4.18Å; P276-Y646 HydrophobicContact CB-CE1 3.68Å; P276-Y646 HydrophobicContact CB-CE2 3.54Å; P276-Y646 WeakPolarHBondContact CB-OH 3.26Å; P276-Y646 HydrophobicContact CG-CE1 4.13Å; I277-Y646 HydrophobicContact CD1-CG 4.19Å; I277-Y646 HydrophobicContact CG1-CD2 4.38Å; I277-Y646 HydrophobicContact CG1-CG 4.18Å; M642-Y646 PolarHBondContact O-N 3.08Å; M642-Y646 VanDerWaalsContact O-N 3.13Å; W643-Y646 AromaticContact CE3-CD1 4Å; W643-Y646 HydrophobicContact CE3-CD1 4Å; W643-Y646 HydrophobicContact CH2-CD1 4.09Å; W643-Y646 HydrophobicContact CH2-CE1 4.15Å; W643-Y646 AromaticContact CZ3-CD1 3.58Å; W643-Y646 HydrophobicContact CZ3-CD1 3.58Å; W643-Y646 AromaticContact CZ3-CE1 3.87Å; W643-Y646 HydrophobicContact CZ3-CE1 3.87Å; W643-Y646 PolarHBondContact O-N 2.92Å; W643-Y646 VanDerWaalsContact O-N 3.14Å; Y646-A648 PolarHBondContact O-N 2.92Å; Y646-G649 WeakPolarHBondContact O-CA 3.44Å; Y646-G649 PolarHBondContact O-N 3.29Å
647A98Very high97.4Very high47 Ų4764.8 Ų64.839%0.38834%0.34SS..Hα-helixtrans-63.4-29.4-179.500000112.1W643 E644 G649W643-A647 WeakPolarHBondContact O-CB 3.36Å; W643-A647 PolarHBondContact O-N 2.91Å; E644-A647 PolarHBondContact O-N 3.24Å; A647-G649 PolarHBondContact O-N 3.47Å
648A98.3Very high95.6Very high71 Ų7165.3 Ų65.359%0.58736%0.357SS*.THydrogen-bonded Turntrans-73.21.6169.800000114.1E644 Y646 N650E644-A648 WeakPolarHBondContact O-CB 3.46Å; E644-A648 PolarHBondContact O-N 3.19Å; Y646-A648 PolarHBondContact O-N 2.92Å; A648-N650 WeakPolarHBondContact CB-ND2 3.35Å
649G97.8Very high93.3Very high68 Ų6868.4 Ų68.470%0.70138%0.376SS*.THydrogen-bonded Turntrans85.112.5176.300000114.7Y646 A647Y646-G649 WeakPolarHBondContact O-CA 3.44Å; Y646-G649 PolarHBondContact O-N 3.29Å; A647-G649 PolarHBondContact O-N 3.47Å
650N98.6Very high90.5Very high77 Ų7776.3 Ų76.341%0.41241%0.414SS..PPolyproline II helixtrans-87.9149.4-177.9-53.8-64.4000111.9H645 A648H645-N650 WeakPolarHBondContact CE1-CB 3.34Å; H645-N650 VanDerWaalsContact NE2-CB 3.29Å; H645-N650 WeakPolarHBondContact NE2-CB 3.44Å; H645-N650 WeakPolarHBondContact O-CB 3.12Å; H645-N650 PolarHBondContact O-N 3.42Å; H645-N650 PolarHBondContact O-ND2 3.18Å; A648-N650 WeakPolarHBondContact CB-ND2 3.35Å
651K98.3Very high87.5Confident181 Ų18180.1 Ų80.179%0.78744%0.439SS*.PPolyproline II helixtrans-75156.7166.4-69.5-175.6-179.1179.70110.4H645 D653H645-K651 PolarHBondContact CD2-O 3.44Å; H645-K651 PolarHBondContact NE2-O 3.35Å; K651-D653 PolarHBondContact O-N 3.24Å
652P98.6Very high84.2Confident45 Ų4582.1 Ų82.129%0.29246%0.455SS..PPolyproline II helixtrans-50.3131.4176.9-2834.5000112.9D294 Y295 K314D294-P652 HydrophobicContact CB-CB 4.06Å; D294-P652 HydrophobicContact CB-CG 3.62Å; Y295-P652 HydrophobicContact CE1-CB 4.4Å; Y295-P652 HydrophobicContact CE2-CB 3.93Å; Y295-P652 HydrophobicContact CE2-CG 4.32Å; Y295-P652 WeakPolarHBondContact OH-CA 3.17Å; K314-P652 WeakPolarHBondContact CE-O 3.3Å; K314-P652 HydrophobicContact CG-CB 4.07Å
653D98.4Very high80.8Confident79 Ų7991.1 Ų91.142%0.42250%0.497SS..  trans-141.1166.7169.8-158.315.7000111.2Y295 K314 K651 M655Y295-D653 VanDerWaalsContact CE1-O 3.23Å; Y295-D653 WeakPolarHBondContact CE1-O 3.27Å; Y295-D653 PolarHBondContact OH-N 3.23Å; Y295-D653 PolarHBondContact OH-O 2.77Å; K314-D653 IonicContact NZ-OD1 2.99Å; K314-D653 PolarHBondContact NZ-OD1 3.46Å; K651-D653 PolarHBondContact O-N 3.24Å; D653-M655 PolarHBondContact O-N 2.68Å
654H98.5Very high77.5Confident68 Ų6895.8 Ų95.832%0.31553%0.531SS..  trans-56.9125.6-173.7-64.8-77.6000113L315 I656L315-H654 PolarHBondContact N-ND1 3.41Å; L315-H654 WeakPolarHBondContact O-CA 3.42Å; H654-I656 HydrophobicContact CB-CD1 4.14Å; H654-I656 HydrophobicContact CB-CG1 4.03Å; H654-I656 HydrophobicContact CB-CG2 4.02Å; H654-I656 PolarHBondContact O-N 3.37Å
655M98.1Very high74.3Confident26 Ų2698.6 Ų98.613%0.12857%0.574CS.*BIsolated β-bridgetrans-101.168.1173.7-59-63.6169.400109.2Y295 L315 A316 Y317 L638 Q641 H645 D653Y295-M655 HydrophobicContact CE1-CG 3.93Å; Y295-M655 WeakPolarHBondContact OH-CE 3.45Å; L315-M655 PolarHBondContact O-N 2.88Å; A316-M655 HydrophobicContact CB-CB 4.26Å; Y317-M655 PolarHBondContact N-O 3.12Å; L638-M655 HydrophobicContact CD1-CB 4.15Å; Q641-M655 HydrophobicContact CB-SD 4.43Å; H645-M655 HydrophobicContact CB-CE 3.5Å; H645-M655 VanDerWaalsContact CB-CE 3.5Å; H645-M655 VanDerWaalsContact CG-CE 3.45Å; D653-M655 PolarHBondContact O-N 2.68Å
656I95.5Very high73.1Confident63 Ų63101.2 Ų101.232%0.32359%0.591SS.*  trans-116.83.4-169.461.7171.8000114.1L315 Y317 H654L315-I656 HydrophobicContact CB-CG2 3.79Å; Y317-I656 HydrophobicContact CD1-CG2 3.91Å; Y317-I656 HydrophobicContact CD2-CB 3.73Å; Y317-I656 HydrophobicContact CD2-CG2 3.81Å; Y317-I656 HydrophobicContact CE1-CG2 3.72Å; Y317-I656 HydrophobicContact CE2-CB 3.62Å; Y317-I656 HydrophobicContact CE2-CG2 3.6Å; Y317-I656 HydrophobicContact CG-CB 4.28Å; Y317-I656 HydrophobicContact CG-CG2 3.94Å; H654-I656 HydrophobicContact CB-CD1 4.14Å; H654-I656 HydrophobicContact CB-CG1 4.03Å; H654-I656 HydrophobicContact CB-CG2 4.02Å; H654-I656 PolarHBondContact O-N 3.37Å
657K80.1Confident71.8Confident185 Ų185103.4 Ų103.480%0.80461%0.611SS**SBendtrans-70.3134.6177.9-84.7-172.6176.1-177.80109.8V659K657-V659 PolarHBondContact O-N 2.97Å; K657-V659 VanDerWaalsContact O-N 3.12Å
658P60.5Low70.3Confident116 Ų116106.6 Ų106.675%0.75362%0.623SS**PPolyproline II helixtrans-57.1120.7162.5-1325.8000106.8E660P658-E660 PolarHBondContact O-N 3.15Å; P658-E660 VanDerWaalsContact O-N 3.16Å
659V50.1Low68.7Low70 Ų70108.6 Ų108.642%0.42463%0.625SS.*PPolyproline II helixtrans-65.1119.1172.2-175.80000105.7Q641 K657 V661Q641-V659 VanDerWaalsContact NE2-CG2 3.35Å; K657-V659 PolarHBondContact O-N 2.97Å; K657-V659 VanDerWaalsContact O-N 3.12Å; V659-V661 PolarHBondContact O-N 3.48Å
660E40.7Very low66.8Low167 Ų167111.2 Ų111.278%0.7862%0.62SS**  trans-52.3115.1165.3-77-178.4170.200106.3P658 T662P658-E660 PolarHBondContact O-N 3.15Å; P658-E660 VanDerWaalsContact O-N 3.16Å; E660-T662 PolarHBondContact O-N 3.44Å
661V35.9Very low64.7Low131 Ų131113.5 Ų113.579%0.79463%0.634SS**  trans-6389.3171.6-177.60000105.2V659 E663V659-V661 PolarHBondContact O-N 3.48Å; V661-E663 PolarHBondContact O-N 3.06Å
662T29Very low62.3Low105 Ų105108.6 Ų108.664%0.64462%0.623SS**  trans-70.393.6164.928.70000104.3E660 S664E660-T662 PolarHBondContact O-N 3.44Å; T662-S664 PolarHBondContact O-N 3.45Å; T662-S664 PolarHBondContact O-OG 2.9Å
663E27.1Very low59.5Low188 Ų188113.5 Ų113.588%0.87965%0.649SS**  trans-52.685.9152.4-75.5-175.2162.500106.4V661 A665V661-E663 PolarHBondContact O-N 3.06Å; E663-A665 PolarHBondContact O-N 3.06Å
664S29.4Very low56.3Low103 Ų103116.4 Ų116.472%0.7267%0.668SS**  trans-95.193167.538.50000106.5T662T662-S664 PolarHBondContact O-N 3.45Å; T662-S664 PolarHBondContact O-OG 2.9Å
665A30.6Very low52.5Low175 Ų175120.8 Ų120.8100%1.44670%0.7SS**  trans51.70151.200000119.4E663E663-A665 PolarHBondContact O-N 3.06Å

Retrieved 665 of 665 residues in 209.8 ms (Link to these results)

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