X5J4E6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4E6, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 103 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1L97.3Very high93.5Very high65 Ų6557.5 Ų57.534%0.3441%0.406SS..  0148.80-55.6-179.3000109.5W17 Y61 L62 M64 Y75 T97 V99L1-W17 HydrophobicContact CB-CH2 3.63Å; L1-W17 HydrophobicContact CB-CZ2 4.13Å; L1-W17 HydrophobicContact CB-CZ3 4.13Å; L1-W17 HydrophobicContact CD1-CH2 4.36Å; L1-W17 HydrophobicContact CD1-CZ3 4Å; L1-Y61 CarbonylContact O-C 3.53Å; L1-Y61 VanDerWaalsContact O-CA 3.29Å; L1-Y61 WeakPolarHBondContact O-CA 3.31Å; L1-L62 HydrophobicContact CB-CB 4.22Å; L1-L62 HydrophobicContact CD1-CD2 4.32Å; L1-L62 PolarHBondContact N-O 3.32Å; L1-L62 PolarHBondContact O-N 3.25Å; L1-M64 HydrophobicContact CD1-CE 3.99Å; L1-M64 HydrophobicContact CD1-SD 4.42Å; L1-M64 HydrophobicContact CG-CE 4.4Å; L1-M64 HydrophobicContact CG-SD 4.19Å; L1-Y75 VanDerWaalsContact CD1-CB 3.4Å; L1-Y75 HydrophobicContact CD1-CD1 4.05Å; L1-Y75 HydrophobicContact CD1-CD2 4.33Å; L1-Y75 HydrophobicContact CD1-CG 3.68Å; L1-T97 HydrophobicContact CD1-CG2 3.78Å; L1-T97 HydrophobicContact CD2-CG2 3.88Å; L1-T97 HydrophobicContact CG-CG2 4.36Å; L1-V99 HydrophobicContact CD1-CG2 4.04Å; L1-V99 HydrophobicContact CD2-CG2 3.88Å; L1-V99 HydrophobicContact CG-CG2 4.45Å
2S97.9Very high93.2Very high84 Ų8468.3 Ų68.359%0.58743%0.431SS*.EExtended strand (participates in β ladder)trans-125.3150.1170.754.10000109.6L60S2-L60 CarbonylContact C-O 3.45Å; S2-L60 VanDerWaalsContact CA-O 3.29Å; S2-L60 WeakPolarHBondContact CA-O 3.46Å
3C97.4Very high93Very high19 Ų1967.8 Ų67.813%0.12842%0.416CS..EExtended strand (participates in β ladder)trans-137.5110.9174.51670000108.6W17 T59 L60 C77C3-W17 HydrophobicContact CB-CH2 3.95Å; C3-W17 HydrophobicContact CB-CZ2 4.05Å; C3-T59 CarbonylContact O-C 3.58Å; C3-T59 WeakPolarHBondContact O-CA 3.35Å; C3-L60 HydrophobicContact CB-CB 4.4Å; C3-L60 PolarHBondContact N-O 3.29Å; C3-L60 PolarHBondContact O-N 2.96Å; C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.31Å; C3-C77 WeakPolarHBondContact SG-CB 3.35Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 3.26Å
4A97Very high93.1Very high80 Ų8066.2 Ų66.266%0.66140%0.399SS*.EExtended strand (participates in β ladder)trans-83.5126.7174.200000109.1
5A94Very high93.2Very high18 Ų1862.1 Ų62.115%0.14937%0.374CS..  trans-94.9146177.900000111.1F8 F10 N58A5-F8 HydrophobicContact CB-CE1 3.89Å; A5-F8 HydrophobicContact CB-CE2 4.46Å; A5-F8 HydrophobicContact CB-CZ 3.65Å; A5-F10 HydrophobicContact CB-CB 4.28Å; A5-F10 HydrophobicContact CB-CD2 3.45Å; A5-F10 VanDerWaalsContact CB-CD2 3.45Å; A5-F10 HydrophobicContact CB-CE2 4.12Å; A5-F10 HydrophobicContact CB-CG 4.22Å; A5-N58 PolarHBondContact N-O 3.26Å
6S92.6Very high93.4Very high107 Ų10758.3 Ų58.375%0.74835%0.351SS*.  trans-148.7152.7176.960.10000110.1
7G89.6Confident93.7Very high87 Ų8755.1 Ų55.190%0.89733%0.331SS*.SBendtrans90.4-0.9176.700000115.2
8F87.3Confident93.9Very high49 Ų4952.2 Ų52.222%0.21531%0.314CS..SBendtrans-151.8165.6174.464.6-83.3000111.1A5 F10 Y13 M15 T79A5-F8 HydrophobicContact CB-CE1 3.89Å; A5-F8 HydrophobicContact CB-CE2 4.46Å; A5-F8 HydrophobicContact CB-CZ 3.65Å; F8-F10 HydrophobicContact CE2-CB 4.33Å; F8-F10 HydrophobicContact CE2-CD2 4.41Å; F8-F10 HydrophobicContact CZ-CD2 4.49Å; F8-F10 PolarHBondContact O-N 3.2Å; F8-Y13 AromaticContact CD2-CD2 3.62Å; F8-Y13 HydrophobicContact CD2-CD2 3.62Å; F8-Y13 HydrophobicContact CD2-CE2 4.05Å; F8-Y13 HydrophobicContact CD2-CG 4.28Å; F8-Y13 HydrophobicContact CE2-CD2 4.15Å; F8-Y13 HydrophobicContact CE2-CG 4.45Å; F8-M15 HydrophobicContact CE2-SD 4.12Å; F8-M15 HydrophobicContact CZ-CE 4.37Å; F8-M15 HydrophobicContact CZ-SD 4.15Å; F8-T79 HydrophobicContact CE1-CG2 4.33Å; F8-T79 HydrophobicContact CE2-CG2 4.2Å; F8-T79 HydrophobicContact CZ-CG2 3.91Å
9D90.3Very high94.1Very high78 Ų7850.5 Ų50.542%0.41730%0.301SS..  trans-78.184.1176.2-177.4-1.5000110.7S11 R12 Y13D9-S11 PolarHBondContact O-N 2.84Å; D9-S11 WeakPolarHBondContact OD1-CB 3.31Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 PolarHBondContact OD1-OG 2.78Å; D9-R12 HydrophobicContact CB-CG 4.4Å; D9-R12 PolarHBondContact O-N 2.95Å; D9-R12 WeakPolarHBondContact OD2-CD 3.34Å; D9-R12 VanDerWaalsContact OD2-CG 3.26Å; D9-R12 WeakPolarHBondContact OD2-CG 3.36Å; D9-Y13 WeakPolarHBondContact O-CD2 3.35Å
10F92.4Very high94.3Very high0 Ų051.3 Ų51.30%030%0.301CS..G310 helixtrans-45.1-36.2-179.1177.2-96.4000113.6A5 F8 R12 Y13 M15 R53 N55 N58 L60A5-F10 HydrophobicContact CB-CB 4.28Å; A5-F10 HydrophobicContact CB-CD2 3.45Å; A5-F10 VanDerWaalsContact CB-CD2 3.45Å; A5-F10 HydrophobicContact CB-CE2 4.12Å; A5-F10 HydrophobicContact CB-CG 4.22Å; F8-F10 HydrophobicContact CE2-CB 4.33Å; F8-F10 HydrophobicContact CE2-CD2 4.41Å; F8-F10 HydrophobicContact CZ-CD2 4.49Å; F8-F10 PolarHBondContact O-N 3.2Å; F10-R12 PolarHBondContact O-N 2.96Å; F10-R12 VanDerWaalsContact O-N 3.14Å; F10-Y13 PolarHBondContact O-N 3.16Å; F10-M15 HydrophobicContact CD2-CE 4.2Å; F10-M15 HydrophobicContact CD2-CG 4.01Å; F10-M15 HydrophobicContact CD2-SD 3.76Å; F10-M15 HydrophobicContact CE2-CE 3.86Å; F10-M15 HydrophobicContact CE2-CG 3.48Å; F10-M15 VanDerWaalsContact CE2-CG 3.48Å; F10-M15 HydrophobicContact CE2-SD 3.71Å; F10-M15 HydrophobicContact CZ-CG 3.96Å; F10-R53 VanDerWaalsContact CD1-NH2 3.34Å; F10-R53 HydrophobicContact CE1-CB 4.22Å; F10-R53 VanDerWaalsContact CE1-NH2 3.29Å; F10-R53 HydrophobicContact CZ-CB 4.11Å; F10-R53 PolarHBondContact O-NH2 3.09Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.3Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 HydrophobicContact CD1-CB 4.36Å; F10-N58 HydrophobicContact CG-CB 4.12Å; F10-L60 HydrophobicContact CE2-CB 4.24Å; F10-L60 HydrophobicContact CZ-CB 4.22Å
11S92.4Very high94.4Very high46 Ų4649.9 Ų49.932%0.32230%0.296SS..G310 helixtrans-65.3-16.6-176.376.70000114.2D9 P34D9-S11 PolarHBondContact O-N 2.84Å; D9-S11 WeakPolarHBondContact OD1-CB 3.31Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 PolarHBondContact OD1-OG 2.78Å; S11-P34 VanDerWaalsContact O-CB 3.3Å; S11-P34 WeakPolarHBondContact O-CB 3.2Å
12R90.7Very high94.3Very high186 Ų18651.8 Ų51.870%0.70231%0.312SS*.G310 helixtrans-100.1-10.3-177.3-63.4-172.571171.12.1114.5D9 F10 P34D9-R12 HydrophobicContact CB-CG 4.4Å; D9-R12 PolarHBondContact O-N 2.95Å; D9-R12 WeakPolarHBondContact OD2-CD 3.34Å; D9-R12 VanDerWaalsContact OD2-CG 3.26Å; D9-R12 WeakPolarHBondContact OD2-CG 3.36Å; F10-R12 PolarHBondContact O-N 2.96Å; F10-R12 VanDerWaalsContact O-N 3.14Å; R12-P34 WeakPolarHBondContact O-CG 3.45Å
13Y90.3Very high94.2Very high63 Ų6352 Ų5225%0.24733%0.328CS..SBendtrans-109.7151.1-173.1-65.7-87.3000112.7F8 D9 F10 R53 T79 D81F8-Y13 AromaticContact CD2-CD2 3.62Å; F8-Y13 HydrophobicContact CD2-CD2 3.62Å; F8-Y13 HydrophobicContact CD2-CE2 4.05Å; F8-Y13 HydrophobicContact CD2-CG 4.28Å; F8-Y13 HydrophobicContact CE2-CD2 4.15Å; F8-Y13 HydrophobicContact CE2-CG 4.45Å; D9-Y13 WeakPolarHBondContact O-CD2 3.35Å; F10-Y13 PolarHBondContact O-N 3.16Å; Y13-R53 PolarHBondContact O-NH1 2.79Å; Y13-T79 WeakPolarHBondContact CB-OG1 3.42Å; Y13-D81 HydrophobicContact CE1-CB 4.22Å; Y13-D81 WeakPolarHBondContact CE1-OD1 3.47Å
14W93.5Very high94.1Very high45 Ų4558.2 Ų58.217%0.1735%0.353CS..EExtended strand (participates in β ladder)trans-72.7145.2164.2-7364.4000109.3E31 I32 N33 T38 T79 Q80 Y82W14-E31 HydrophobicContact CE3-CB 4.26Å; W14-E31 HydrophobicContact CE3-CG 3.49Å; W14-E31 VanDerWaalsContact CE3-CG 3.49Å; W14-E31 HydrophobicContact CZ3-CG 3.65Å; W14-I32 WeakPolarHBondContact CA-O 3.32Å; W14-N33 HydrophobicContact CD2-CB 3.62Å; W14-N33 HydrophobicContact CE3-CB 3.87Å; W14-N33 HydrophobicContact CG-CB 4.35Å; W14-N33 HydrophobicContact CH2-CB 3.64Å; W14-N33 HydrophobicContact CZ2-CB 3.35Å; W14-N33 HydrophobicContact CZ3-CB 3.88Å; W14-T38 HydrophobicContact CH2-CG2 3.92Å; W14-T38 HydrophobicContact CZ3-CG2 4.43Å; W14-T79 PolarHBondContact O-OG1 3.28Å; W14-Q80 PolarHBondContact O-N 3.05Å; W14-Y82 HydrophobicContact CB-CE2 3.97Å; W14-Y82 AromaticContact CD1-CD2 3.77Å; W14-Y82 AromaticContact CD1-CE2 3.16Å; W14-Y82 AromaticContact CD1-CZ 3.96Å; W14-Y82 HydrophobicContact CD2-CE2 4.15Å; W14-Y82 HydrophobicContact CG-CD2 4.39Å; W14-Y82 AromaticContact CG-CE2 3.52Å; W14-Y82 HydrophobicContact CG-CE2 3.52Å; W14-Y82 AromaticContact NE1-CE2 3.58Å; W14-Y82 AromaticContact NE1-CZ 3.93Å
15M95.4Very high94.1Very high5 Ų557 Ų573%0.02535%0.349CS..EExtended strand (participates in β ladder)trans-128.7130.4-174.6-64.2-58.6-49.200109.2F8 F10 E31 I32 L60 T79F8-M15 HydrophobicContact CE2-SD 4.12Å; F8-M15 HydrophobicContact CZ-CE 4.37Å; F8-M15 HydrophobicContact CZ-SD 4.15Å; F10-M15 HydrophobicContact CD2-CE 4.2Å; F10-M15 HydrophobicContact CD2-CG 4.01Å; F10-M15 HydrophobicContact CD2-SD 3.76Å; F10-M15 HydrophobicContact CE2-CE 3.86Å; F10-M15 HydrophobicContact CE2-CG 3.48Å; F10-M15 VanDerWaalsContact CE2-CG 3.48Å; F10-M15 HydrophobicContact CE2-SD 3.71Å; F10-M15 HydrophobicContact CZ-CG 3.96Å; M15-E31 CarbonylContact O-C 3.53Å; M15-E31 WeakPolarHBondContact O-CA 3.47Å; M15-E31 WeakPolarHBondContact O-CB 3.12Å; M15-I32 HydrophobicContact CB-CG2 4.19Å; M15-I32 PolarHBondContact N-O 2.77Å; M15-I32 PolarHBondContact O-N 3.08Å; M15-L60 HydrophobicContact CB-CD1 3.6Å; M15-L60 HydrophobicContact CB-CD2 3.87Å; M15-L60 HydrophobicContact CB-CG 4.21Å; M15-L60 HydrophobicContact CE-CD2 4.45Å; M15-L60 HydrophobicContact CG-CD1 4.5Å; M15-T79 VanDerWaalsContact SD-CB 3.56Å; M15-T79 PolarHBondContact SD-OG1 3.38Å
16S96.5Very high94.1Very high0 Ų061 Ų610%037%0.366CS..EExtended strand (participates in β ladder)trans-115.8152.9-174.2-77.10000112.2W28 G30 E31 C77 A78 M90S16-W28 PolarHBondContact OG-NE1 2.86Å; S16-G30 WeakPolarHBondContact CA-O 3.46Å; S16-E31 VanDerWaalsContact OG-CB 3.31Å; S16-E31 WeakPolarHBondContact OG-CB 3.46Å; S16-C77 CarbonylContact O-C 3.59Å; S16-C77 WeakPolarHBondContact O-CA 3.46Å; S16-A78 PolarHBondContact N-O 3.16Å; S16-A78 PolarHBondContact O-N 2.95Å; S16-M90 WeakPolarHBondContact OG-CE 3.16Å
17W97.8Very high94.3Very high4 Ų459 Ų592%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-111.5138.5160.2-76.897.6000110.4L1 C3 I29 G30 L60 Y61 L62 Y76 C77L1-W17 HydrophobicContact CB-CH2 3.63Å; L1-W17 HydrophobicContact CB-CZ2 4.13Å; L1-W17 HydrophobicContact CB-CZ3 4.13Å; L1-W17 HydrophobicContact CD1-CH2 4.36Å; L1-W17 HydrophobicContact CD1-CZ3 4Å; C3-W17 HydrophobicContact CB-CH2 3.95Å; C3-W17 HydrophobicContact CB-CZ2 4.05Å; W17-I29 HydrophobicContact CB-CB 4.12Å; W17-I29 HydrophobicContact CB-CD1 4.17Å; W17-I29 WeakPolarHBondContact O-CB 3.34Å; W17-I29 PolarHBondContact O-N 2.81Å; W17-G30 PolarHBondContact N-O 2.93Å; W17-L60 HydrophobicContact CD2-CD2 4.32Å; W17-L60 HydrophobicContact CG-CD2 4.23Å; W17-L60 HydrophobicContact CZ2-CD2 4.3Å; W17-L60 HydrophobicContact CZ2-CG 4.41Å; W17-L60 VanDerWaalsContact NE1-CG 3.32Å; W17-Y61 PolarHBondContact NE1-O 3.08Å; W17-L62 HydrophobicContact CB-CD1 4.24Å; W17-L62 HydrophobicContact CB-CD2 4.35Å; W17-L62 HydrophobicContact CD2-CB 3.85Å; W17-L62 HydrophobicContact CD2-CD1 4.5Å; W17-L62 HydrophobicContact CD2-CD2 4Å; W17-L62 HydrophobicContact CD2-CG 4.36Å; W17-L62 HydrophobicContact CE3-CB 4.48Å; W17-L62 HydrophobicContact CE3-CD2 4.16Å; W17-L62 HydrophobicContact CG-CB 4.12Å; W17-L62 HydrophobicContact CG-CD1 3.92Å; W17-L62 HydrophobicContact CG-CD2 4.08Å; W17-L62 HydrophobicContact CG-CG 4.29Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; W17-Y76 WeakPolarHBondContact CA-O 3.21Å; W17-Y76 VanDerWaalsContact CE3-O 3.26Å; W17-C77 HydrophobicContact CE3-CB 4.39Å; W17-C77 HydrophobicContact CH2-CB 4.27Å; W17-C77 HydrophobicContact CZ2-CB 4.44Å; W17-C77 HydrophobicContact CZ3-CB 4.25Å
18V97.6Very high94.6Very high4 Ų458.6 Ų58.62%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-132146.1177.4-177.20000107.6L26 E27 Y75 Y76 M90 W93V18-L26 HydrophobicContact CG1-CB 3.89Å; V18-L26 HydrophobicContact CG1-CD2 3.84Å; V18-L26 HydrophobicContact CG1-CG 4.4Å; V18-E27 CarbonylContact C-O 3.58Å; V18-E27 WeakPolarHBondContact CA-O 3.44Å; V18-E27 WeakPolarHBondContact CG1-O 3.46Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.17Å; V18-Y76 PolarHBondContact N-O 3.08Å; V18-Y76 PolarHBondContact O-N 3.02Å; V18-M90 HydrophobicContact CG2-CE 4.23Å; V18-M90 HydrophobicContact CG2-SD 3.93Å; V18-W93 HydrophobicContact CB-CH2 3.99Å; V18-W93 HydrophobicContact CB-CZ3 3.75Å; V18-W93 HydrophobicContact CG1-CH2 3.88Å; V18-W93 HydrophobicContact CG1-CZ3 3.86Å; V18-W93 HydrophobicContact CG2-CH2 3.73Å; V18-W93 HydrophobicContact CG2-CZ3 3.89Å
19R97.3Very high95.1Very high19 Ų1956.2 Ų56.27%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-125.9159.8171.766.6178.1-169.4174.83.2112.5E27 I29 L45 D71 A73 L74 Y75R19-E27 HydrophobicContact CG-CB 4.17Å; R19-E27 IonicContact CZ-OE2 3.71Å; R19-E27 PolarHBondContact N-O 2.81Å; R19-E27 IonicContact NE-OE2 2.74Å; R19-E27 PolarHBondContact NE-OE2 2.96Å; R19-E27 IonicContact NH2-OE1 3.89Å; R19-E27 IonicContact NH2-OE2 2.7Å; R19-E27 PolarHBondContact NH2-OE2 2.76Å; R19-E27 PolarHBondContact O-N 2.7Å; R19-I29 HydrophobicContact CB-CD1 4.06Å; R19-I29 HydrophobicContact CB-CG1 4.4Å; R19-I29 HydrophobicContact CG-CD1 4.15Å; R19-I29 HydrophobicContact CG-CG1 4.08Å; R19-L45 VanDerWaalsContact NH2-CD2 3.27Å; R19-D71 IonicContact CZ-OD1 3.18Å; R19-D71 IonicContact NH1-OD1 2.77Å; R19-D71 PolarHBondContact NH1-OD1 3.32Å; R19-D71 IonicContact NH2-OD1 3.69Å; R19-A73 HydrophobicContact CB-CB 3.99Å; R19-L74 CarbonylContact C-O 3.58Å; R19-L74 WeakPolarHBondContact CA-O 3.41Å; R19-Y75 HydrophobicContact CB-CD1 3.89Å; R19-Y75 HydrophobicContact CB-CE1 3.86Å; R19-Y75 HydrophobicContact CB-CG 4.27Å
20Q97.9Very high95.3Very high66 Ų6652.5 Ų52.531%0.30829%0.287SS..EExtended strand (participates in β ladder)trans-135.9105.4174.4-169.8178.622.900109.5K24 L26 A73 L74 Y76Q20-K24 WeakPolarHBondContact CG-O 3.5Å; Q20-K24 PolarHBondContact NE2-O 2.8Å; Q20-L26 HydrophobicContact CB-CD2 4.1Å; Q20-A73 WeakPolarHBondContact O-CA 3.29Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.5Å; Q20-L74 PolarHBondContact N-O 2.86Å; Q20-L74 PolarHBondContact O-N 3.11Å; Q20-Y76 HydrophobicContact CB-CE2 3.91Å; Q20-Y76 PolarHBondContact OE1-OH 3.14Å
21A96.8Very high95.5Very high23 Ų2353.6 Ų53.619%0.1929%0.292CS..  trans-71.3152.9172.900000110.6G23 K24 A73A21-G23 PolarHBondContact O-N 2.74Å; A21-K24 HydrophobicContact CB-CB 4.1Å; A21-K24 HydrophobicContact CB-CG 3.96Å; A21-K24 WeakPolarHBondContact O-CB 3.37Å; A21-K24 PolarHBondContact O-N 2.89Å; A21-A73 HydrophobicContact CB-CB 4.46Å
22P95.9Very high95.7Very high104 Ų10451.5 Ų51.568%0.67528%0.277SS*.THydrogen-bonded Turntrans-52.3126.9177-2734.8000112.3K24 T72P22-K24 PolarHBondContact O-N 2.82Å; P22-T72 VanDerWaalsContact CD-O 3.31Å; P22-T72 WeakPolarHBondContact CD-O 3.39Å
23G95.9Very high95.9Very high89 Ų8943.3 Ų43.392%0.91825%0.247SC*.THydrogen-bonded Turntrans7011.8-17900000115.2A21A21-G23 PolarHBondContact O-N 2.74Å
24K95.6Very high96.1Very high149 Ų14941.9 Ų41.965%0.64825%0.245SC*.  trans-115162.7176.5-59.2-64.1-175.11780111.5Q20 A21 P22Q20-K24 WeakPolarHBondContact CG-O 3.5Å; Q20-K24 PolarHBondContact NE2-O 2.8Å; A21-K24 HydrophobicContact CB-CB 4.1Å; A21-K24 HydrophobicContact CB-CG 3.96Å; A21-K24 WeakPolarHBondContact O-CB 3.37Å; A21-K24 PolarHBondContact O-N 2.89Å; P22-K24 PolarHBondContact O-N 2.82Å
25G95.3Very high96.2Very high56 Ų5645 Ų4558%0.57727%0.265SS*.  trans-73178.8170.100000112.4
26L95.6Very high96.2Very high100 Ų10047.3 Ų47.352%0.52428%0.282SS..EExtended strand (participates in β ladder)trans-66.9131.7171.6-67.5167.2000110V18 Q20 Y76 W93V18-L26 HydrophobicContact CG1-CB 3.89Å; V18-L26 HydrophobicContact CG1-CD2 3.84Å; V18-L26 HydrophobicContact CG1-CG 4.4Å; Q20-L26 HydrophobicContact CB-CD2 4.1Å; L26-Y76 HydrophobicContact CD2-CD2 4.21Å; L26-Y76 HydrophobicContact CD2-CE2 4.07Å; L26-W93 HydrophobicContact CD1-CH2 3.91Å; L26-W93 HydrophobicContact CD1-CZ3 4.29Å; L26-W93 HydrophobicContact CD2-CH2 4.46Å; L26-W93 HydrophobicContact CD2-CZ3 4.18Å
27E96.1Very high96.3Very high66 Ų6651.3 Ų51.331%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-119.4117.8175.5-175.9-176.9-162.300108.6V18 R19 L45V18-E27 CarbonylContact C-O 3.58Å; V18-E27 WeakPolarHBondContact CA-O 3.44Å; V18-E27 WeakPolarHBondContact CG1-O 3.46Å; R19-E27 HydrophobicContact CG-CB 4.17Å; R19-E27 IonicContact CZ-OE2 3.71Å; R19-E27 PolarHBondContact N-O 2.81Å; R19-E27 IonicContact NE-OE2 2.74Å; R19-E27 PolarHBondContact NE-OE2 2.96Å; R19-E27 IonicContact NH2-OE1 3.89Å; R19-E27 IonicContact NH2-OE2 2.7Å; R19-E27 PolarHBondContact NH2-OE2 2.76Å; R19-E27 PolarHBondContact O-N 2.7Å; E27-L45 HydrophobicContact CG-CD1 4.29Å
28W96.1Very high96.2Very high78 Ų7853.8 Ų53.830%0.29533%0.326SS..EExtended strand (participates in β ladder)trans-69.2133175.4-179.478.8000110.3S16 G30 E31 N40 T42S16-W28 PolarHBondContact OG-NE1 2.86Å; W28-G30 VanDerWaalsContact CE2-C 3.5Å; W28-G30 VanDerWaalsContact CE2-CA 3.49Å; W28-G30 VanDerWaalsContact CZ2-C 3.4Å; W28-G30 PolarHBondContact NE1-O 2.77Å; W28-E31 HydrophobicContact CH2-CG 4.44Å; W28-E31 HydrophobicContact CZ2-CB 3.81Å; W28-E31 HydrophobicContact CZ2-CG 3.65Å; W28-N40 HydrophobicContact CH2-CB 3.7Å; W28-N40 HydrophobicContact CZ2-CB 4.33Å; W28-T42 VanDerWaalsContact CE3-OG1 3.29Å; W28-T42 WeakPolarHBondContact O-CB 3.44Å; W28-T42 PolarHBondContact O-OG1 3.22Å
29I96.9Very high96.2Very high0 Ų056.6 Ų56.60%034%0.34CS..EExtended strand (participates in β ladder)trans-91.5-47.3178.9-59.8-177.6000110.2W17 R19 Y41 T42 L45 F49 L62 Y75W17-I29 HydrophobicContact CB-CB 4.12Å; W17-I29 HydrophobicContact CB-CD1 4.17Å; W17-I29 WeakPolarHBondContact O-CB 3.34Å; W17-I29 PolarHBondContact O-N 2.81Å; R19-I29 HydrophobicContact CB-CD1 4.06Å; R19-I29 HydrophobicContact CB-CG1 4.4Å; R19-I29 HydrophobicContact CG-CD1 4.15Å; R19-I29 HydrophobicContact CG-CG1 4.08Å; I29-Y41 WeakPolarHBondContact O-CA 3.3Å; I29-T42 PolarHBondContact O-N 3.47Å; I29-L45 HydrophobicContact CB-CD1 4.45Å; I29-L45 HydrophobicContact CG1-CD1 4.15Å; I29-F49 HydrophobicContact CD1-CE2 4.46Å; I29-F49 HydrophobicContact CG2-CB 4.08Å; I29-F49 HydrophobicContact CG2-CD2 3.61Å; I29-F49 HydrophobicContact CG2-CE2 4.37Å; I29-F49 HydrophobicContact CG2-CG 4.03Å; I29-L62 HydrophobicContact CD1-CD2 3.95Å; I29-L62 HydrophobicContact CG2-CD1 4.38Å; I29-Y75 HydrophobicContact CD1-CD1 3.66Å; I29-Y75 HydrophobicContact CD1-CE1 3.51Å
30G96.2Very high96.1Very high0 Ų058.9 Ų58.90%035%0.354CS..EExtended strand (participates in β ladder)trans166.5173.8-171.900000111.9S16 W17 W28 N40 I51S16-G30 WeakPolarHBondContact CA-O 3.46Å; W17-G30 PolarHBondContact N-O 2.93Å; W28-G30 VanDerWaalsContact CE2-C 3.5Å; W28-G30 VanDerWaalsContact CE2-CA 3.49Å; W28-G30 VanDerWaalsContact CZ2-C 3.4Å; W28-G30 PolarHBondContact NE1-O 2.77Å; G30-N40 CarbonylContact C-O 3.59Å; G30-N40 WeakPolarHBondContact CA-O 3.45Å; G30-I51 WeakPolarHBondContact O-CD1 3.31Å
31E96.1Very high96Very high23 Ų2357.8 Ų57.811%0.10735%0.347CS..EExtended strand (participates in β ladder)trans-144.2158.7178.972.2-171.4163.100111.7W14 M15 S16 W28 I39 N40W14-E31 HydrophobicContact CE3-CB 4.26Å; W14-E31 HydrophobicContact CE3-CG 3.49Å; W14-E31 VanDerWaalsContact CE3-CG 3.49Å; W14-E31 HydrophobicContact CZ3-CG 3.65Å; M15-E31 CarbonylContact O-C 3.53Å; M15-E31 WeakPolarHBondContact O-CA 3.47Å; M15-E31 WeakPolarHBondContact O-CB 3.12Å; S16-E31 VanDerWaalsContact OG-CB 3.31Å; S16-E31 WeakPolarHBondContact OG-CB 3.46Å; W28-E31 HydrophobicContact CH2-CG 4.44Å; W28-E31 HydrophobicContact CZ2-CB 3.81Å; W28-E31 HydrophobicContact CZ2-CG 3.65Å; E31-I39 VanDerWaalsContact O-CA 3.29Å; E31-I39 WeakPolarHBondContact O-CA 3.45Å; E31-I39 WeakPolarHBondContact O-CG2 3.14Å; E31-N40 HydrophobicContact CG-CB 4.08Å; E31-N40 PolarHBondContact N-O 2.84Å; E31-N40 PolarHBondContact O-N 2.74Å; E31-N40 PolarHBondContact OE1-ND2 3.29Å
32I96.7Very high96Very high2 Ų258.1 Ų58.11%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-130.2136.1177.2-175.1161.2000110.1W14 M15 I39 I51 R53 L60W14-I32 WeakPolarHBondContact CA-O 3.32Å; M15-I32 HydrophobicContact CB-CG2 4.19Å; M15-I32 PolarHBondContact N-O 2.77Å; M15-I32 PolarHBondContact O-N 3.08Å; I32-I39 HydrophobicContact CB-CG1 4.41Å; I32-I39 HydrophobicContact CD1-CD1 3.91Å; I32-I39 HydrophobicContact CD1-CG1 3.97Å; I32-I39 HydrophobicContact CG1-CD1 4.49Å; I32-I39 HydrophobicContact CG1-CG1 3.99Å; I32-I51 HydrophobicContact CB-CG2 3.84Å; I32-I51 HydrophobicContact CG2-CG2 3.59Å; I32-R53 HydrophobicContact CD1-CG 3.94Å; I32-R53 HydrophobicContact CG1-CG 4.37Å; I32-R53 HydrophobicContact CG2-CB 4.45Å; I32-R53 HydrophobicContact CG2-CG 4.48Å; I32-L60 HydrophobicContact CG2-CD1 3.5Å
33N94.6Very high95.9Very high13 Ų1358.7 Ų58.77%0.0735%0.351CS..  trans-78.5167.1-179.979-30.6000112.4W14 D35 S36 S37 T38 R53W14-N33 HydrophobicContact CD2-CB 3.62Å; W14-N33 HydrophobicContact CE3-CB 3.87Å; W14-N33 HydrophobicContact CG-CB 4.35Å; W14-N33 HydrophobicContact CH2-CB 3.64Å; W14-N33 HydrophobicContact CZ2-CB 3.35Å; W14-N33 HydrophobicContact CZ3-CB 3.88Å; N33-D35 VanDerWaalsContact CG-OD1 3.24Å; N33-D35 PolarHBondContact ND2-OD1 2.86Å; N33-D35 PolarHBondContact O-N 2.62Å; N33-D35 PolarHBondContact OD1-OD1 2.93Å; N33-S36 PolarHBondContact O-N 2.98Å; N33-S36 VanDerWaalsContact O-N 3.16Å; N33-S36 VanDerWaalsContact OD1-CA 3.27Å; N33-S36 WeakPolarHBondContact OD1-CA 3.4Å; N33-S36 PolarHBondContact OD1-N 2.85Å; N33-S36 VanDerWaalsContact OD1-N 3.08Å; N33-S37 PolarHBondContact ND2-OG 2.83Å; N33-S37 VanDerWaalsContact ND2-OG 3.09Å; N33-S37 PolarHBondContact OD1-N 3.18Å; N33-T38 PolarHBondContact N-O 2.84Å; N33-T38 VanDerWaalsContact N-O 3.13Å; N33-T38 PolarHBondContact OD1-N 3.49Å; N33-T38 PolarHBondContact OD1-O 3.17Å; N33-T38 VanDerWaalsContact OD1-O 3.11Å; N33-R53 VanDerWaalsContact C-NH1 3.34Å; N33-R53 WeakPolarHBondContact O-CD 2.96Å; N33-R53 PolarHBondContact O-NH1 2.88Å
34P94.9Very high95.8Very high33 Ų3358.5 Ų58.521%0.21434%0.335CS..THydrogen-bonded Turntrans-44.4-48179.6-40.944.1000116.9S11 R12 N55S11-P34 VanDerWaalsContact O-CB 3.3Å; S11-P34 WeakPolarHBondContact O-CB 3.2Å; R12-P34 WeakPolarHBondContact O-CG 3.45Å; P34-N55 PolarHBondContact O-ND2 3.18Å
35D94.9Very high95.7Very high111 Ų11151.5 Ų51.559%0.59431%0.305SS*.THydrogen-bonded Turntrans-94.43.7-174.767.68.7000113.5N33 S37N33-D35 VanDerWaalsContact CG-OD1 3.24Å; N33-D35 PolarHBondContact ND2-OD1 2.86Å; N33-D35 PolarHBondContact O-N 2.62Å; N33-D35 PolarHBondContact OD1-OD1 2.93Å; D35-S37 PolarHBondContact O-N 3.46Å; D35-S37 VanDerWaalsContact OD1-CB 3.22Å; D35-S37 WeakPolarHBondContact OD1-CB 3.17Å; D35-S37 PolarHBondContact OD1-N 3.02Å; D35-S37 PolarHBondContact OD1-OG 2.93Å; D35-S37 PolarHBondContact OD2-OG 3.29Å
36S96.6Very high95.5Very high53 Ų5354.8 Ų54.837%0.37130%0.303SS..SBendtrans6211.6-177.8-47.50000115.5N33 T38 R53N33-S36 PolarHBondContact O-N 2.98Å; N33-S36 VanDerWaalsContact O-N 3.16Å; N33-S36 VanDerWaalsContact OD1-CA 3.27Å; N33-S36 WeakPolarHBondContact OD1-CA 3.4Å; N33-S36 PolarHBondContact OD1-N 2.85Å; N33-S36 VanDerWaalsContact OD1-N 3.08Å; S36-T38 VanDerWaalsContact C-N 3.31Å; S36-R53 WeakPolarHBondContact OG-CD 3Å; S36-R53 WeakPolarHBondContact OG-CG 3.41Å
37S96.7Very high95.4Very high85 Ų8555.9 Ų55.959%0.59431%0.309SS*.SBendtrans-73.6-23.8177.364.20000113.1N33 D35N33-S37 PolarHBondContact ND2-OG 2.83Å; N33-S37 VanDerWaalsContact ND2-OG 3.09Å; N33-S37 PolarHBondContact OD1-N 3.18Å; D35-S37 PolarHBondContact O-N 3.46Å; D35-S37 VanDerWaalsContact OD1-CB 3.22Å; D35-S37 WeakPolarHBondContact OD1-CB 3.17Å; D35-S37 PolarHBondContact OD1-N 3.02Å; D35-S37 PolarHBondContact OD1-OG 2.93Å; D35-S37 PolarHBondContact OD2-OG 3.29Å
38T96.6Very high95.4Very high56 Ų5653.5 Ų53.534%0.34430%0.298SS..  trans-126.6130.5-177.9-560000110.7W14 N33 S36W14-T38 HydrophobicContact CH2-CG2 3.92Å; W14-T38 HydrophobicContact CZ3-CG2 4.43Å; N33-T38 PolarHBondContact N-O 2.84Å; N33-T38 VanDerWaalsContact N-O 3.13Å; N33-T38 PolarHBondContact OD1-N 3.49Å; N33-T38 PolarHBondContact OD1-O 3.17Å; N33-T38 VanDerWaalsContact OD1-O 3.11Å; S36-T38 VanDerWaalsContact C-N 3.31Å
39I96.9Very high95.4Very high63 Ų6349.9 Ų49.932%0.32328%0.284SS..EExtended strand (participates in β ladder)trans-133.9120.1173.7-45.5178.5000108.6E31 I32 Y41 I51E31-I39 VanDerWaalsContact O-CA 3.29Å; E31-I39 WeakPolarHBondContact O-CA 3.45Å; E31-I39 WeakPolarHBondContact O-CG2 3.14Å; I32-I39 HydrophobicContact CB-CG1 4.41Å; I32-I39 HydrophobicContact CD1-CD1 3.91Å; I32-I39 HydrophobicContact CD1-CG1 3.97Å; I32-I39 HydrophobicContact CG1-CD1 4.49Å; I32-I39 HydrophobicContact CG1-CG1 3.99Å; I39-Y41 HydrophobicContact CB-CE2 3.92Å; I39-Y41 HydrophobicContact CG2-CD2 4.01Å; I39-Y41 HydrophobicContact CG2-CE1 4.39Å; I39-Y41 HydrophobicContact CG2-CE2 3.26Å; I39-Y41 VanDerWaalsContact CG2-CZ 3.49Å; I39-I51 HydrophobicContact CG2-CB 4.22Å
40N96.1Very high95.4Very high67 Ų6753.8 Ų53.836%0.35831%0.305SS..EExtended strand (participates in β ladder)trans-101.2147.7175.1-58.6-42.6000109.5W28 G30 E31W28-N40 HydrophobicContact CH2-CB 3.7Å; W28-N40 HydrophobicContact CZ2-CB 4.33Å; G30-N40 CarbonylContact C-O 3.59Å; G30-N40 WeakPolarHBondContact CA-O 3.45Å; E31-N40 HydrophobicContact CG-CB 4.08Å; E31-N40 PolarHBondContact N-O 2.84Å; E31-N40 PolarHBondContact O-N 2.74Å; E31-N40 PolarHBondContact OE1-ND2 3.29Å
41Y96.6Very high95.5Very high42 Ų4254 Ų5417%0.16531%0.305CS..EExtended strand (participates in β ladder)trans-138.1152.7-179.6-70.5-87000111I29 I39 K46 F49 I51I29-Y41 WeakPolarHBondContact O-CA 3.3Å; I39-Y41 HydrophobicContact CB-CE2 3.92Å; I39-Y41 HydrophobicContact CG2-CD2 4.01Å; I39-Y41 HydrophobicContact CG2-CE1 4.39Å; I39-Y41 HydrophobicContact CG2-CE2 3.26Å; I39-Y41 VanDerWaalsContact CG2-CZ 3.49Å; Y41-K46 HydrophobicContact CD2-CD 4.41Å; Y41-K46 HydrophobicContact CD2-CG 3.96Å; Y41-K46 HydrophobicContact CG-CB 4.14Å; Y41-K46 HydrophobicContact CG-CG 4.02Å; Y41-F49 WeakPolarHBondContact CE1-O 3.47Å; Y41-I51 HydrophobicContact CD1-CD1 4.38Å; Y41-I51 HydrophobicContact CE1-CD1 3.88Å; Y41-I51 HydrophobicContact CE1-CG1 3.87Å; Y41-I51 PolarHBondContact OH-N 2.88Å
42T95.9Very high95.6Very high30 Ų3055.3 Ų55.318%0.18432%0.317CS..  trans-64.5125157.9-68.20000108.8W28 I29 S44 L45 K46W28-T42 VanDerWaalsContact CE3-OG1 3.29Å; W28-T42 WeakPolarHBondContact O-CB 3.44Å; W28-T42 PolarHBondContact O-OG1 3.22Å; I29-T42 PolarHBondContact O-N 3.47Å; T42-S44 VanDerWaalsContact C-N 3.28Å; T42-S44 WeakPolarHBondContact CG2-OG 3.39Å; T42-S44 PolarHBondContact O-N 2.91Å; T42-S44 VanDerWaalsContact O-N 3.14Å; T42-L45 HydrophobicContact CG2-CD1 4.29Å; T42-L45 HydrophobicContact CG2-CG 4.12Å; T42-L45 PolarHBondContact O-N 3.2Å; T42-K46 PolarHBondContact O-N 3.14Å
43P94.7Very high95.6Very high117 Ų11756.4 Ų56.476%0.7632%0.321SS*.THydrogen-bonded Turntrans-54.1-38.7-171.7-30.735.9000114.9L45P43-L45 PolarHBondContact O-N 2.91Å
44S92.2Very high95.8Very high84 Ų8457.8 Ų57.859%0.58733%0.329SS*.THydrogen-bonded Turntrans-69.7-15.9179.154.80000114.2T42T42-S44 VanDerWaalsContact C-N 3.28Å; T42-S44 WeakPolarHBondContact CG2-OG 3.39Å; T42-S44 PolarHBondContact O-N 2.91Å; T42-S44 VanDerWaalsContact O-N 3.14Å
45L93.2Very high95.9Very high3 Ų359 Ų592%0.01633%0.334CS..THydrogen-bonded Turntrans-110.5-14.4-172.4-56.8-173.9000113.4R19 E27 I29 T42 P43 D47 K48 F49R19-L45 VanDerWaalsContact NH2-CD2 3.27Å; E27-L45 HydrophobicContact CG-CD1 4.29Å; I29-L45 HydrophobicContact CB-CD1 4.45Å; I29-L45 HydrophobicContact CG1-CD1 4.15Å; T42-L45 HydrophobicContact CG2-CD1 4.29Å; T42-L45 HydrophobicContact CG2-CG 4.12Å; T42-L45 PolarHBondContact O-N 3.2Å; P43-L45 PolarHBondContact O-N 2.91Å; L45-D47 VanDerWaalsContact C-N 3.27Å; L45-D47 PolarHBondContact O-N 3.29Å; L45-K48 PolarHBondContact O-N 2.71Å; L45-F49 HydrophobicContact CB-CD2 3.92Å; L45-F49 HydrophobicContact CB-CE2 4.09Å; L45-F49 HydrophobicContact CD1-CE2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.22Å; L45-F49 HydrophobicContact CG-CE2 4.48Å; L45-F49 WeakPolarHBondContact O-CD2 3.16Å; L45-F49 PolarHBondContact O-N 2.02Å
46K91.9Very high96Very high124 Ų12458.4 Ų58.454%0.53934%0.344SS..THydrogen-bonded Turntrans-55-36.5-176.1-175.3177.9178.8-179.80114Y41 T42 K48Y41-K46 HydrophobicContact CD2-CD 4.41Å; Y41-K46 HydrophobicContact CD2-CG 3.96Å; Y41-K46 HydrophobicContact CG-CB 4.14Å; Y41-K46 HydrophobicContact CG-CG 4.02Å; T42-K46 PolarHBondContact O-N 3.14Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 2.83Å
47D93.6Very high96Very high123 Ų12362.1 Ų62.166%0.65835%0.353SS*.THydrogen-bonded Turntrans-81.8-9.8-177.8-66.8-27.1000113.7L45L45-D47 VanDerWaalsContact C-N 3.27Å; L45-D47 PolarHBondContact O-N 3.29Å
48K95.7Very high96Very high17 Ų1761.1 Ų61.17%0.07434%0.341CS..THydrogen-bonded Turntrans-98.7-33.1-176.6-60.9-175.3175.5-166.10112.4L45 K46 S65 E70 D71L45-K48 PolarHBondContact O-N 2.71Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 2.83Å; K48-S65 PolarHBondContact O-N 3.13Å; K48-E70 IonicContact NZ-OE1 3.73Å; K48-E70 PolarHBondContact NZ-OE1 3.03Å; K48-D71 WeakPolarHBondContact CD-OD2 3.43Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 3.14Å; K48-D71 IonicContact NZ-OD2 2.74Å; K48-D71 PolarHBondContact NZ-OD2 2.72Å
49F96.6Very high96.1Very high1 Ų159.1 Ų59.10%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-124.7142.3-170.4-54.2-63.7000112.5I29 Y41 L45 L62 Q63 M64 V67 Y75I29-F49 HydrophobicContact CD1-CE2 4.46Å; I29-F49 HydrophobicContact CG2-CB 4.08Å; I29-F49 HydrophobicContact CG2-CD2 3.61Å; I29-F49 HydrophobicContact CG2-CE2 4.37Å; I29-F49 HydrophobicContact CG2-CG 4.03Å; Y41-F49 WeakPolarHBondContact CE1-O 3.47Å; L45-F49 HydrophobicContact CB-CD2 3.92Å; L45-F49 HydrophobicContact CB-CE2 4.09Å; L45-F49 HydrophobicContact CD1-CE2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.22Å; L45-F49 HydrophobicContact CG-CE2 4.48Å; L45-F49 WeakPolarHBondContact O-CD2 3.16Å; L45-F49 PolarHBondContact O-N 2.02Å; F49-L62 HydrophobicContact CB-CD1 3.78Å; F49-L62 HydrophobicContact CB-CG 4.41Å; F49-L62 HydrophobicContact CD1-CD1 4.47Å; F49-L62 HydrophobicContact CD1-CD2 4.23Å; F49-L62 HydrophobicContact CD1-CG 4.27Å; F49-L62 HydrophobicContact CG-CD1 4.29Å; F49-Q63 CarbonylContact C-O 3.59Å; F49-Q63 VanDerWaalsContact CA-O 3.31Å; F49-Q63 WeakPolarHBondContact CA-O 3.34Å; F49-M64 HydrophobicContact CD1-CB 4.34Å; F49-M64 HydrophobicContact CD1-CE 4.35Å; F49-M64 HydrophobicContact CD1-CG 3.74Å; F49-M64 HydrophobicContact CE1-CB 4.39Å; F49-M64 HydrophobicContact CE1-CE 3.75Å; F49-M64 HydrophobicContact CE1-CG 3.79Å; F49-V67 HydrophobicContact CE1-CG1 3.66Å; F49-V67 HydrophobicContact CZ-CG1 4.19Å; F49-Y75 HydrophobicContact CE1-CE1 4.19Å; F49-Y75 HydrophobicContact CZ-CE1 4.18Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.4Å
50I97Very high96.2Very high83 Ų8356.1 Ų56.143%0.42631%0.314SS..EExtended strand (participates in β ladder)trans-122.5119.8172.4-57170.3000107.5Q63I50-Q63 HydrophobicContact CB-CB 4.22Å; I50-Q63 PolarHBondContact N-O 2.95Å; I50-Q63 PolarHBondContact O-N 2.77Å
51I97.9Very high96.3Very high3 Ų356.1 Ų56.12%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-91.1135.5175.2-59.2172.9000108.7G30 I32 I39 Y41 L60 Y61 L62G30-I51 WeakPolarHBondContact O-CD1 3.31Å; I32-I51 HydrophobicContact CB-CG2 3.84Å; I32-I51 HydrophobicContact CG2-CG2 3.59Å; I39-I51 HydrophobicContact CG2-CB 4.22Å; Y41-I51 HydrophobicContact CD1-CD1 4.38Å; Y41-I51 HydrophobicContact CE1-CD1 3.88Å; Y41-I51 HydrophobicContact CE1-CG1 3.87Å; Y41-I51 PolarHBondContact OH-N 2.88Å; I51-L60 HydrophobicContact CG2-CD1 3.95Å; I51-Y61 WeakPolarHBondContact CA-O 3.31Å; I51-L62 HydrophobicContact CG1-CD1 3.65Å
52S98.2Very high96.4Very high51 Ų5154.1 Ų54.136%0.35730%0.301SS..EExtended strand (participates in β ladder)trans-146.5166171.363.50000110.4Y61S52-Y61 PolarHBondContact N-O 2.93Å; S52-Y61 VanDerWaalsContact N-O 3.14Å; S52-Y61 PolarHBondContact O-N 3.01Å
53R98.1Very high96.5Very high25 Ų2558.1 Ų58.19%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-142153.8-178.162.9-175.8-68160.73.2111.6F10 Y13 I32 N33 S36 N55 T59 L60F10-R53 VanDerWaalsContact CD1-NH2 3.34Å; F10-R53 HydrophobicContact CE1-CB 4.22Å; F10-R53 VanDerWaalsContact CE1-NH2 3.29Å; F10-R53 HydrophobicContact CZ-CB 4.11Å; F10-R53 PolarHBondContact O-NH2 3.09Å; Y13-R53 PolarHBondContact O-NH1 2.79Å; I32-R53 HydrophobicContact CD1-CG 3.94Å; I32-R53 HydrophobicContact CG1-CG 4.37Å; I32-R53 HydrophobicContact CG2-CB 4.45Å; I32-R53 HydrophobicContact CG2-CG 4.48Å; N33-R53 VanDerWaalsContact C-NH1 3.34Å; N33-R53 WeakPolarHBondContact O-CD 2.96Å; N33-R53 PolarHBondContact O-NH1 2.88Å; S36-R53 WeakPolarHBondContact OG-CD 3Å; S36-R53 WeakPolarHBondContact OG-CG 3.41Å; R53-N55 PolarHBondContact NE-OD1 3.14Å; R53-N55 PolarHBondContact NH2-OD1 2.91Å; R53-T59 CarbonylContact C-O 3.59Å; R53-T59 WeakPolarHBondContact CA-O 3.48Å; R53-L60 HydrophobicContact CB-CD1 4.23Å
54D97.9Very high96.5Very high43 Ų4354.9 Ų54.923%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-126.7106.2171.4-176.6-23000108.3A56 K57 N58 T59 Y61D54-A56 VanDerWaalsContact C-N 3.33Å; D54-A56 WeakPolarHBondContact OD1-CB 3.33Å; D54-A56 PolarHBondContact OD1-N 2.71Å; D54-K57 HydrophobicContact CB-CB 4.23Å; D54-K57 PolarHBondContact O-N 2.81Å; D54-K57 PolarHBondContact OD1-N 3.03Å; D54-K57 VanDerWaalsContact OD1-N 3.14Å; D54-K57 WeakPolarHBondContact OD2-CD 3.29Å; D54-K57 WeakPolarHBondContact OD2-CE 3.29Å; D54-K57 WeakPolarHBondContact OD2-CG 2.99Å; D54-K57 IonicContact OD2-NZ 2.81Å; D54-K57 PolarHBondContact OD2-NZ 2.91Å; D54-K57 VanDerWaalsContact OD2-NZ 3.15Å; D54-N58 PolarHBondContact O-N 2.79Å; D54-T59 PolarHBondContact N-O 3.05Å; D54-T59 PolarHBondContact O-N 2.94Å; D54-Y61 HydrophobicContact CB-CE2 3.79Å
55N96.9Very high96.4Very high59 Ų5954.2 Ų54.232%0.31629%0.288SS..THydrogen-bonded Turntrans-70.6-29.2-178-71.2-14.4000112.3F10 P34 R53 K57 N58F10-N55 WeakPolarHBondContact CE1-OD1 3.3Å; P34-N55 PolarHBondContact O-ND2 3.18Å; R53-N55 PolarHBondContact NE-OD1 3.14Å; R53-N55 PolarHBondContact NH2-OD1 2.91Å; N55-K57 PolarHBondContact O-N 3.49Å; N55-N58 PolarHBondContact O-N 3.04Å; N55-N58 PolarHBondContact O-OD1 2.89Å
56A96.4Very high96.3Very high97 Ų9760.7 Ų60.780%0.80232%0.317SS*.THydrogen-bonded Turntrans-70.2-27.5177.300000111.6D54D54-A56 VanDerWaalsContact C-N 3.33Å; D54-A56 WeakPolarHBondContact OD1-CB 3.33Å; D54-A56 PolarHBondContact OD1-N 2.71Å
57K97.4Very high96.5Very high131 Ų13157 Ų5757%0.5730%0.304SS*.THydrogen-bonded Turntrans-100.52177.4-61.4-178.4-166.5149.60113.9D54 N55 T59D54-K57 HydrophobicContact CB-CB 4.23Å; D54-K57 PolarHBondContact O-N 2.81Å; D54-K57 PolarHBondContact OD1-N 3.03Å; D54-K57 VanDerWaalsContact OD1-N 3.14Å; D54-K57 WeakPolarHBondContact OD2-CD 3.29Å; D54-K57 WeakPolarHBondContact OD2-CE 3.29Å; D54-K57 WeakPolarHBondContact OD2-CG 2.99Å; D54-K57 IonicContact OD2-NZ 2.81Å; D54-K57 PolarHBondContact OD2-NZ 2.91Å; D54-K57 VanDerWaalsContact OD2-NZ 3.15Å; N55-K57 PolarHBondContact O-N 3.49Å; K57-T59 PolarHBondContact O-N 3.28Å; K57-T59 VanDerWaalsContact O-N 3.13Å; K57-T59 PolarHBondContact O-OG1 3.31Å
58N96.8Very high96.5Very high64 Ų6458.3 Ų58.334%0.34230%0.3SS..THydrogen-bonded Turntrans46.841-171.7-61.8-34.8000112.8A5 F10 D54 N55A5-N58 PolarHBondContact N-O 3.26Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 HydrophobicContact CD1-CB 4.36Å; F10-N58 HydrophobicContact CG-CB 4.12Å; D54-N58 PolarHBondContact O-N 2.79Å; N55-N58 PolarHBondContact O-N 3.04Å; N55-N58 PolarHBondContact O-OD1 2.89Å
59T98.1Very high96.5Very high15 Ų1561.1 Ų61.19%0.09232%0.322CS..EExtended strand (participates in β ladder)trans-124.5129.6-169.8-58.50000111.6C3 R53 D54 K57 Y61C3-T59 CarbonylContact O-C 3.58Å; C3-T59 WeakPolarHBondContact O-CA 3.35Å; R53-T59 CarbonylContact C-O 3.59Å; R53-T59 WeakPolarHBondContact CA-O 3.48Å; D54-T59 PolarHBondContact N-O 3.05Å; D54-T59 PolarHBondContact O-N 2.94Å; K57-T59 PolarHBondContact O-N 3.28Å; K57-T59 VanDerWaalsContact O-N 3.13Å; K57-T59 PolarHBondContact O-OG1 3.31Å; T59-Y61 HydrophobicContact CG2-CD1 4.21Å; T59-Y61 HydrophobicContact CG2-CD2 4.39Å; T59-Y61 HydrophobicContact CG2-CE1 3.59Å; T59-Y61 HydrophobicContact CG2-CE2 3.79Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.37Å
60L98.4Very high96.4Very high0 Ų066.4 Ų66.40%035%0.346CS..EExtended strand (participates in β ladder)trans-95.7141.6171-174.170.4000110S2 C3 F10 M15 W17 I32 I51 R53 C77S2-L60 CarbonylContact C-O 3.45Å; S2-L60 VanDerWaalsContact CA-O 3.29Å; S2-L60 WeakPolarHBondContact CA-O 3.46Å; C3-L60 HydrophobicContact CB-CB 4.4Å; C3-L60 PolarHBondContact N-O 3.29Å; C3-L60 PolarHBondContact O-N 2.96Å; F10-L60 HydrophobicContact CE2-CB 4.24Å; F10-L60 HydrophobicContact CZ-CB 4.22Å; M15-L60 HydrophobicContact CB-CD1 3.6Å; M15-L60 HydrophobicContact CB-CD2 3.87Å; M15-L60 HydrophobicContact CB-CG 4.21Å; M15-L60 HydrophobicContact CE-CD2 4.45Å; M15-L60 HydrophobicContact CG-CD1 4.5Å; W17-L60 HydrophobicContact CD2-CD2 4.32Å; W17-L60 HydrophobicContact CG-CD2 4.23Å; W17-L60 HydrophobicContact CZ2-CD2 4.3Å; W17-L60 HydrophobicContact CZ2-CG 4.41Å; W17-L60 VanDerWaalsContact NE1-CG 3.32Å; I32-L60 HydrophobicContact CG2-CD1 3.5Å; I51-L60 HydrophobicContact CG2-CD1 3.95Å; R53-L60 HydrophobicContact CB-CD1 4.23Å; L60-C77 HydrophobicContact CD2-CB 4.07Å
61Y98.6Very high96.3Very high66 Ų6662.5 Ų62.526%0.25933%0.326SS..EExtended strand (participates in β ladder)trans-124.4148.7179.3-56.2-85.4000111.7L1 W17 I51 S52 D54 T59L1-Y61 CarbonylContact O-C 3.53Å; L1-Y61 VanDerWaalsContact O-CA 3.29Å; L1-Y61 WeakPolarHBondContact O-CA 3.31Å; W17-Y61 PolarHBondContact NE1-O 3.08Å; I51-Y61 WeakPolarHBondContact CA-O 3.31Å; S52-Y61 PolarHBondContact N-O 2.93Å; S52-Y61 VanDerWaalsContact N-O 3.14Å; S52-Y61 PolarHBondContact O-N 3.01Å; D54-Y61 HydrophobicContact CB-CE2 3.79Å; T59-Y61 HydrophobicContact CG2-CD1 4.21Å; T59-Y61 HydrophobicContact CG2-CD2 4.39Å; T59-Y61 HydrophobicContact CG2-CE1 3.59Å; T59-Y61 HydrophobicContact CG2-CE2 3.79Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.37Å
62L98.4Very high96.3Very high1 Ų164 Ų641%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-129.2105.6169.5-169.169.3000108.4L1 W17 I29 F49 I51 M64 Y75L1-L62 HydrophobicContact CB-CB 4.22Å; L1-L62 HydrophobicContact CD1-CD2 4.32Å; L1-L62 PolarHBondContact N-O 3.32Å; L1-L62 PolarHBondContact O-N 3.25Å; W17-L62 HydrophobicContact CB-CD1 4.24Å; W17-L62 HydrophobicContact CB-CD2 4.35Å; W17-L62 HydrophobicContact CD2-CB 3.85Å; W17-L62 HydrophobicContact CD2-CD1 4.5Å; W17-L62 HydrophobicContact CD2-CD2 4Å; W17-L62 HydrophobicContact CD2-CG 4.36Å; W17-L62 HydrophobicContact CE3-CB 4.48Å; W17-L62 HydrophobicContact CE3-CD2 4.16Å; W17-L62 HydrophobicContact CG-CB 4.12Å; W17-L62 HydrophobicContact CG-CD1 3.92Å; W17-L62 HydrophobicContact CG-CD2 4.08Å; W17-L62 HydrophobicContact CG-CG 4.29Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; I29-L62 HydrophobicContact CD1-CD2 3.95Å; I29-L62 HydrophobicContact CG2-CD1 4.38Å; F49-L62 HydrophobicContact CB-CD1 3.78Å; F49-L62 HydrophobicContact CB-CG 4.41Å; F49-L62 HydrophobicContact CD1-CD1 4.47Å; F49-L62 HydrophobicContact CD1-CD2 4.23Å; F49-L62 HydrophobicContact CD1-CG 4.27Å; F49-L62 HydrophobicContact CG-CD1 4.29Å; I51-L62 HydrophobicContact CG1-CD1 3.65Å; L62-M64 HydrophobicContact CD2-CE 4.08Å; L62-Y75 HydrophobicContact CD2-CD1 3.78Å; L62-Y75 HydrophobicContact CD2-CE1 4.04Å
63Q98Very high96.3Very high114 Ų11461.8 Ų61.853%0.53332%0.321SS..EExtended strand (participates in β ladder)trans-83.2134.6170.1177.3178-13.200109.3F49 I50F49-Q63 CarbonylContact C-O 3.59Å; F49-Q63 VanDerWaalsContact CA-O 3.31Å; F49-Q63 WeakPolarHBondContact CA-O 3.34Å; I50-Q63 HydrophobicContact CB-CB 4.22Å; I50-Q63 PolarHBondContact N-O 2.95Å; I50-Q63 PolarHBondContact O-N 2.77Å
64M95.6Very high96.3Very high48 Ų4863.7 Ų63.724%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-117.7114.7-175.9-64.4173.1137.200108L1 F49 L62 V67 Y75 V99L1-M64 HydrophobicContact CD1-CE 3.99Å; L1-M64 HydrophobicContact CD1-SD 4.42Å; L1-M64 HydrophobicContact CG-CE 4.4Å; L1-M64 HydrophobicContact CG-SD 4.19Å; F49-M64 HydrophobicContact CD1-CB 4.34Å; F49-M64 HydrophobicContact CD1-CE 4.35Å; F49-M64 HydrophobicContact CD1-CG 3.74Å; F49-M64 HydrophobicContact CE1-CB 4.39Å; F49-M64 HydrophobicContact CE1-CE 3.75Å; F49-M64 HydrophobicContact CE1-CG 3.79Å; L62-M64 HydrophobicContact CD2-CE 4.08Å; M64-V67 HydrophobicContact CB-CG1 3.81Å; M64-V67 HydrophobicContact CG-CG1 4.33Å; M64-Y75 HydrophobicContact CE-CD1 3.64Å; M64-Y75 HydrophobicContact CE-CD2 4.01Å; M64-Y75 HydrophobicContact CE-CE1 3.17Å; M64-Y75 HydrophobicContact CE-CE2 3.6Å; M64-Y75 HydrophobicContact CE-CG 4.03Å; M64-Y75 WeakPolarHBondContact CE-OH 3.33Å; M64-V99 HydrophobicContact CE-CG1 4.38Å; M64-V99 HydrophobicContact CE-CG2 4.27Å; M64-V99 HydrophobicContact SD-CG1 4.29Å; M64-V99 HydrophobicContact SD-CG2 4.49Å
65S90.9Very high96.3Very high70 Ų7061.7 Ų61.749%0.4932%0.322SS..SBendtrans-117-44.1-170.8-580000113.5K48K48-S65 PolarHBondContact O-N 3.13Å
66K91.1Very high96.4Very high140 Ų14060.6 Ų60.661%0.60931%0.313SS*.SBendtrans-116.340.3-175.6-60.1-178.5-173.9169.10111.9
67V94.6Very high96.4Very high46 Ų4656.5 Ų56.528%0.27928%0.279SS..  trans-73146.1-178.9-68.50000111.4F49 M64 D71 V101F49-V67 HydrophobicContact CE1-CG1 3.66Å; F49-V67 HydrophobicContact CZ-CG1 4.19Å; M64-V67 HydrophobicContact CB-CG1 3.81Å; M64-V67 HydrophobicContact CG-CG1 4.33Å; V67-D71 WeakPolarHBondContact CA-OD2 3.49Å; V67-D71 HydrophobicContact CB-CB 4.23Å; V67-D71 HydrophobicContact CG1-CB 4.3Å; V67-V101 HydrophobicContact CB-CG2 4.29Å; V67-V101 HydrophobicContact CG2-CG1 4.39Å; V67-V101 HydrophobicContact CG2-CG2 4.13Å
68R95.2Very high96.3Very high150 Ų15050.3 Ų50.357%0.56625%0.252SS*.  trans-124.9172178.2-71.7178.9-107.5177.2-4.2109.4E70 D71 V101R68-E70 HydrophobicContact CB-CG 3.67Å; R68-E70 IonicContact CZ-OE1 3.55Å; R68-E70 IonicContact NE-OE1 3.15Å; R68-E70 IonicContact NH1-OE1 3.59Å; R68-E70 PolarHBondContact O-N 2.78Å; R68-E70 VanDerWaalsContact O-N 3.16Å; R68-D71 PolarHBondContact N-OD2 3Å; R68-D71 WeakPolarHBondContact O-CA 3.17Å; R68-D71 WeakPolarHBondContact O-CB 3.48Å; R68-D71 PolarHBondContact O-N 2.77Å; R68-V101 WeakPolarHBondContact O-CB 3.3Å
69S95.4Very high96Very high77 Ų7747.5 Ų47.554%0.53824%0.237SC..G310 helixtrans-55.3-34178.952.90000113.4D71 T72 V101S69-D71 PolarHBondContact O-N 2.85Å; S69-T72 VanDerWaalsContact O-CB 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.21Å; S69-T72 PolarHBondContact O-N 2.98Å; S69-T72 VanDerWaalsContact O-N 3.09Å; S69-T72 PolarHBondContact O-OG1 2.85Å; S69-V101 WeakPolarHBondContact CA-O 3.22Å
70E93.8Very high94.8Very high111 Ų11147.4 Ų47.452%0.51924%0.236SC..G310 helixtrans-60.7-18.5172.456.1178.4-157.200114.6K48 R68 T72K48-E70 IonicContact NZ-OE1 3.73Å; K48-E70 PolarHBondContact NZ-OE1 3.03Å; R68-E70 HydrophobicContact CB-CG 3.67Å; R68-E70 IonicContact CZ-OE1 3.55Å; R68-E70 IonicContact NE-OE1 3.15Å; R68-E70 IonicContact NH1-OE1 3.59Å; R68-E70 PolarHBondContact O-N 2.78Å; R68-E70 VanDerWaalsContact O-N 3.16Å; E70-T72 VanDerWaalsContact C-N 3.29Å
71D95.9Very high93.1Very high1 Ų150.3 Ų50.31%0.00525%0.251CS..G310 helixtrans-88.54.3177-57.2-56.6000112.2R19 K48 V67 R68 S69 A73 Y75R19-D71 IonicContact CZ-OD1 3.18Å; R19-D71 IonicContact NH1-OD1 2.77Å; R19-D71 PolarHBondContact NH1-OD1 3.32Å; R19-D71 IonicContact NH2-OD1 3.69Å; K48-D71 WeakPolarHBondContact CD-OD2 3.43Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 3.14Å; K48-D71 IonicContact NZ-OD2 2.74Å; K48-D71 PolarHBondContact NZ-OD2 2.72Å; V67-D71 WeakPolarHBondContact CA-OD2 3.49Å; V67-D71 HydrophobicContact CB-CB 4.23Å; V67-D71 HydrophobicContact CG1-CB 4.3Å; R68-D71 PolarHBondContact N-OD2 3Å; R68-D71 WeakPolarHBondContact O-CA 3.17Å; R68-D71 WeakPolarHBondContact O-CB 3.48Å; R68-D71 PolarHBondContact O-N 2.77Å; S69-D71 PolarHBondContact O-N 2.85Å; D71-A73 PolarHBondContact O-N 3.03Å; D71-Y75 PolarHBondContact O-OH 3.13Å
72T97.6Very high91.2Very high35 Ų3552.8 Ų52.822%0.21526%0.261CS..  trans-61.8117.1171.2-660000110.5P22 S69 E70 V99 T100 V101P22-T72 VanDerWaalsContact CD-O 3.31Å; P22-T72 WeakPolarHBondContact CD-O 3.39Å; S69-T72 VanDerWaalsContact O-CB 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.21Å; S69-T72 PolarHBondContact O-N 2.98Å; S69-T72 VanDerWaalsContact O-N 3.09Å; S69-T72 PolarHBondContact O-OG1 2.85Å; E70-T72 VanDerWaalsContact C-N 3.29Å; T72-V99 WeakPolarHBondContact CA-O 3.26Å; T72-T100 HydrophobicContact CG2-CG2 4.28Å; T72-V101 PolarHBondContact OG1-N 2.59Å; T72-V101 PolarHBondContact OG1-O 3.09Å
73A97.9Very high89.1Confident4 Ų454.7 Ų54.73%0.03328%0.281CS..EExtended strand (participates in β ladder)trans-163.9167-173.800000112.3R19 Q20 A21 D71 Y75 V99R19-A73 HydrophobicContact CB-CB 3.99Å; Q20-A73 WeakPolarHBondContact O-CA 3.29Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.5Å; A21-A73 HydrophobicContact CB-CB 4.46Å; D71-A73 PolarHBondContact O-N 3.03Å; A73-Y75 HydrophobicContact CB-CD2 4.21Å; A73-Y75 HydrophobicContact CB-CE2 3.73Å; A73-Y75 WeakPolarHBondContact O-CD2 3.36Å; A73-V99 PolarHBondContact N-O 2.72Å; A73-V99 VanDerWaalsContact N-O 3.08Å; A73-V99 PolarHBondContact O-N 3.18Å
74L98.3Very high86.8Confident65 Ų6560.5 Ų60.534%0.3430%0.3SS..EExtended strand (participates in β ladder)trans-79.6133.4157.1-74.8165000109.1R19 Q20 Y76 T97R19-L74 CarbonylContact C-O 3.58Å; R19-L74 WeakPolarHBondContact CA-O 3.41Å; Q20-L74 PolarHBondContact N-O 2.86Å; Q20-L74 PolarHBondContact O-N 3.11Å; L74-Y76 HydrophobicContact CB-CE2 3.66Å; L74-Y76 VanDerWaalsContact CD1-OH 3.31Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.36Å; L74-T97 CarbonylContact C-O 3.47Å; L74-T97 WeakPolarHBondContact CA-O 3.08Å
75Y98.4Very high84.5Confident2 Ų266 Ų661%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-115.7126.4-179.7-74.7-99.8000110.3L1 V18 R19 I29 F49 L62 M64 D71 A73 G96 T97 V99L1-Y75 VanDerWaalsContact CD1-CB 3.4Å; L1-Y75 HydrophobicContact CD1-CD1 4.05Å; L1-Y75 HydrophobicContact CD1-CD2 4.33Å; L1-Y75 HydrophobicContact CD1-CG 3.68Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.17Å; R19-Y75 HydrophobicContact CB-CD1 3.89Å; R19-Y75 HydrophobicContact CB-CE1 3.86Å; R19-Y75 HydrophobicContact CB-CG 4.27Å; I29-Y75 HydrophobicContact CD1-CD1 3.66Å; I29-Y75 HydrophobicContact CD1-CE1 3.51Å; F49-Y75 HydrophobicContact CE1-CE1 4.19Å; F49-Y75 HydrophobicContact CZ-CE1 4.18Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.4Å; L62-Y75 HydrophobicContact CD2-CD1 3.78Å; L62-Y75 HydrophobicContact CD2-CE1 4.04Å; M64-Y75 HydrophobicContact CE-CD1 3.64Å; M64-Y75 HydrophobicContact CE-CD2 4.01Å; M64-Y75 HydrophobicContact CE-CE1 3.17Å; M64-Y75 HydrophobicContact CE-CE2 3.6Å; M64-Y75 HydrophobicContact CE-CG 4.03Å; M64-Y75 WeakPolarHBondContact CE-OH 3.33Å; D71-Y75 PolarHBondContact O-OH 3.13Å; A73-Y75 HydrophobicContact CB-CD2 4.21Å; A73-Y75 HydrophobicContact CB-CE2 3.73Å; A73-Y75 WeakPolarHBondContact O-CD2 3.36Å; Y75-G96 CarbonylContact O-C 3.46Å; Y75-G96 WeakPolarHBondContact O-CA 3.47Å; Y75-T97 PolarHBondContact N-O 2.93Å; Y75-T97 PolarHBondContact O-N 3.4Å; Y75-V99 HydrophobicContact CD2-CB 3.82Å; Y75-V99 HydrophobicContact CD2-CG2 3.7Å; Y75-V99 HydrophobicContact CE2-CB 3.75Å; Y75-V99 HydrophobicContact CE2-CG1 4.49Å; Y75-V99 HydrophobicContact CE2-CG2 4.07Å; Y75-V99 HydrophobicContact CG-CG2 4.46Å
76Y98.1Very high82.6Confident35 Ų3573 Ų7314%0.13734%0.34CS..EExtended strand (participates in β ladder)trans-118.4137.9-177.1-51.4-91.4000109.4W17 V18 Q20 L26 L74 W93W17-Y76 WeakPolarHBondContact CA-O 3.21Å; W17-Y76 VanDerWaalsContact CE3-O 3.26Å; V18-Y76 PolarHBondContact N-O 3.08Å; V18-Y76 PolarHBondContact O-N 3.02Å; Q20-Y76 HydrophobicContact CB-CE2 3.91Å; Q20-Y76 PolarHBondContact OE1-OH 3.14Å; L26-Y76 HydrophobicContact CD2-CD2 4.21Å; L26-Y76 HydrophobicContact CD2-CE2 4.07Å; L74-Y76 HydrophobicContact CB-CE2 3.66Å; L74-Y76 VanDerWaalsContact CD1-OH 3.31Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.36Å; Y76-W93 HydrophobicContact CG-CE3 4.21Å; Y76-W93 HydrophobicContact CG-CZ3 4.34Å
77C96.6Very high80.7Confident11 Ų1175.4 Ų75.47%0.07435%0.347CS..EExtended strand (participates in β ladder)trans-88.7146.4158.554.30000108.8C3 S16 W17 L60 G94C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.31Å; C3-C77 WeakPolarHBondContact SG-CB 3.35Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 3.26Å; S16-C77 CarbonylContact O-C 3.59Å; S16-C77 WeakPolarHBondContact O-CA 3.46Å; W17-C77 HydrophobicContact CE3-CB 4.39Å; W17-C77 HydrophobicContact CH2-CB 4.27Å; W17-C77 HydrophobicContact CZ2-CB 4.44Å; W17-C77 HydrophobicContact CZ3-CB 4.25Å; L60-C77 HydrophobicContact CD2-CB 4.07Å; C77-G94 PolarHBondContact O-N 2.77Å
78A95.2Very high78.9Confident2 Ų281.4 Ų81.42%0.01737%0.366CS..EExtended strand (participates in β ladder)trans-143157.717400000110.2S16 M90 Y92 W93S16-A78 PolarHBondContact N-O 3.16Å; S16-A78 PolarHBondContact O-N 2.95Å; A78-M90 HydrophobicContact CB-CB 4.15Å; A78-M90 HydrophobicContact CB-CG 4.2Å; A78-M90 HydrophobicContact CB-SD 3.58Å; A78-M90 VanDerWaalsContact CB-SD 3.58Å; A78-Y92 CarbonylContact C-O 3.39Å; A78-Y92 WeakPolarHBondContact CA-O 3.37Å; A78-Y92 WeakPolarHBondContact CB-O 3.46Å; A78-W93 HydrophobicContact CB-CD2 3.89Å; A78-W93 HydrophobicContact CB-CE3 4.11Å; A78-W93 HydrophobicContact CB-CG 4.28Å; A78-W93 HydrophobicContact CB-CZ2 4.37Å; A78-W93 HydrophobicContact CB-CZ3 4.45Å
79T89.6Confident77.3Confident4 Ų476.4 Ų76.43%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-119.8150.9171.7-166.40000110.3F8 Y13 W14 M15 M90 D91 Y92F8-T79 HydrophobicContact CE1-CG2 4.33Å; F8-T79 HydrophobicContact CE2-CG2 4.2Å; F8-T79 HydrophobicContact CZ-CG2 3.91Å; Y13-T79 WeakPolarHBondContact CB-OG1 3.42Å; W14-T79 PolarHBondContact O-OG1 3.28Å; M15-T79 VanDerWaalsContact SD-CB 3.56Å; M15-T79 PolarHBondContact SD-OG1 3.38Å; T79-M90 CarbonylContact O-C 3.51Å; T79-M90 VanDerWaalsContact O-CA 3.3Å; T79-M90 WeakPolarHBondContact O-CA 3.27Å; T79-D91 PolarHBondContact O-N 3.26Å; T79-Y92 HydrophobicContact CG2-CD2 3.5Å; T79-Y92 HydrophobicContact CG2-CG 4.01Å; T79-Y92 PolarHBondContact N-O 2.63Å
80Q73.1Confident76.2Confident13 Ų1374.8 Ų74.86%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-113.2122177.2175.5162.67600108.2W14 Y82 Y88W14-Q80 PolarHBondContact O-N 3.05Å; Q80-Y82 HydrophobicContact CG-CE2 4.45Å; Q80-Y88 VanDerWaalsContact NE2-CB 3.26Å; Q80-Y88 PolarHBondContact NE2-O 2.99Å; Q80-Y88 VanDerWaalsContact NE2-O 3.17Å
81D62.5Low75.3Confident62 Ų6273.6 Ų73.633%0.33234%0.338SS..  trans-78.6120.6171.2-166.3-9.4000109.1Y13 G83 D91Y13-D81 HydrophobicContact CE1-CB 4.22Å; Y13-D81 WeakPolarHBondContact CE1-OD1 3.47Å; D81-G83 PolarHBondContact O-N 3.42Å; D81-G83 PolarHBondContact OD1-N 3.34Å; D81-D91 WeakPolarHBondContact CB-OD2 3.12Å
82Y59.3Low74.9Confident117 Ų11780 Ų8046%0.45936%0.363SS..  trans-82.765166.5-80-93.1000108.8W14 Q80W14-Y82 HydrophobicContact CB-CE2 3.97Å; W14-Y82 AromaticContact CD1-CD2 3.77Å; W14-Y82 AromaticContact CD1-CE2 3.16Å; W14-Y82 AromaticContact CD1-CZ 3.96Å; W14-Y82 HydrophobicContact CD2-CE2 4.15Å; W14-Y82 HydrophobicContact CG-CD2 4.39Å; W14-Y82 AromaticContact CG-CE2 3.52Å; W14-Y82 HydrophobicContact CG-CE2 3.52Å; W14-Y82 AromaticContact NE1-CE2 3.58Å; W14-Y82 AromaticContact NE1-CZ 3.93Å; Q80-Y82 HydrophobicContact CG-CE2 4.45Å
83G53.8Low74.7Confident42 Ų4283.2 Ų83.243%0.43337%0.371SS..  trans-62.9156.2166.200000110.7D81 F85D81-G83 PolarHBondContact O-N 3.42Å; D81-G83 PolarHBondContact OD1-N 3.34Å; G83-F85 PolarHBondContact O-N 3.14Å
84Y49.1Very low74.5Confident235 Ų23584.2 Ų84.292%0.92238%0.382SS*.SBendtrans-56.51.6-178.8-90.3-90.9000116.1
85F49.1Very low74.4Confident165 Ų16590.1 Ų90.172%0.72441%0.407SS*.SBendtrans-122.6126177.6-63.2-81.5000109G83 Y87G83-F85 PolarHBondContact O-N 3.14Å; F85-Y87 HydrophobicContact CB-CD2 4.13Å; F85-Y87 HydrophobicContact CB-CE2 4.46Å; F85-Y87 PolarHBondContact O-N 3.15Å
86Y50.1Low74.2Confident216 Ų21691.6 Ų91.685%0.84742%0.423SS*.  trans-5842.7-172.9-71.4-92.6000117.1
87Y50.9Low74.2Confident191 Ų19193 Ų9375%0.74944%0.436SS*.  trans-107.1112.1178-66.4-73.1000110.1F85 A89F85-Y87 HydrophobicContact CB-CD2 4.13Å; F85-Y87 HydrophobicContact CB-CE2 4.46Å; F85-Y87 PolarHBondContact O-N 3.15Å; Y87-A89 PolarHBondContact O-N 3.19Å
88Y57.3Low74.3Confident172 Ų17296.3 Ų96.368%0.67546%0.459SS*.  trans-71.849.1178.6-63.6-81.7000112.7Q80Q80-Y88 VanDerWaalsContact NE2-CB 3.26Å; Q80-Y88 PolarHBondContact NE2-O 2.99Å; Q80-Y88 VanDerWaalsContact NE2-O 3.17Å
89A61Low74.4Confident44 Ų4497.6 Ų97.636%0.36447%0.466SS..  trans-80136.2178.300000110.7Y87 D91Y87-A89 PolarHBondContact O-N 3.19Å; A89-D91 PolarHBondContact O-N 2.96Å
90M72.9Confident74.8Confident43 Ų43102.6 Ų102.621%0.21250%0.497CS..EExtended strand (participates in β ladder)trans-89.898.3168.5-73.2-174.8175.100108.1S16 V18 A78 T79 W93S16-M90 WeakPolarHBondContact OG-CE 3.16Å; V18-M90 HydrophobicContact CG2-CE 4.23Å; V18-M90 HydrophobicContact CG2-SD 3.93Å; A78-M90 HydrophobicContact CB-CB 4.15Å; A78-M90 HydrophobicContact CB-CG 4.2Å; A78-M90 HydrophobicContact CB-SD 3.58Å; A78-M90 VanDerWaalsContact CB-SD 3.58Å; T79-M90 CarbonylContact O-C 3.51Å; T79-M90 VanDerWaalsContact O-CA 3.3Å; T79-M90 WeakPolarHBondContact O-CA 3.27Å; M90-W93 HydrophobicContact CB-CZ2 3.81Å; M90-W93 HydrophobicContact CG-CZ2 4.34Å; M90-W93 PolarHBondContact O-NE1 2.79Å; M90-W93 HydrophobicContact SD-CH2 3.99Å; M90-W93 HydrophobicContact SD-CZ2 3.65Å
91D75.4Confident75.8Confident86 Ų86103.4 Ų103.446%0.4650%0.503SS..EExtended strand (participates in β ladder)trans-81.5-27.5-168.5-59.9-50.2000113.2T79 D81 A89T79-D91 PolarHBondContact O-N 3.26Å; D81-D91 WeakPolarHBondContact CB-OD2 3.12Å; A89-D91 PolarHBondContact O-N 2.96Å
92Y86.1Confident77.2Confident136 Ų136105.4 Ų105.453%0.53352%0.522SS..EExtended strand (participates in β ladder)trans-124132.3177.6-52.9-91.8000111.5A78 T79A78-Y92 CarbonylContact C-O 3.39Å; A78-Y92 WeakPolarHBondContact CA-O 3.37Å; A78-Y92 WeakPolarHBondContact CB-O 3.46Å; T79-Y92 HydrophobicContact CG2-CD2 3.5Å; T79-Y92 HydrophobicContact CG2-CG 4.01Å; T79-Y92 PolarHBondContact N-O 2.63Å
93W93.4Very high78.2Confident102 Ų102108.4 Ų108.439%0.38656%0.56SS.*EExtended strand (participates in β ladder)trans-123.7138.1179.8-70.373000110.8V18 L26 Y76 A78 M90V18-W93 HydrophobicContact CB-CH2 3.99Å; V18-W93 HydrophobicContact CB-CZ3 3.75Å; V18-W93 HydrophobicContact CG1-CH2 3.88Å; V18-W93 HydrophobicContact CG1-CZ3 3.86Å; V18-W93 HydrophobicContact CG2-CH2 3.73Å; V18-W93 HydrophobicContact CG2-CZ3 3.89Å; L26-W93 HydrophobicContact CD1-CH2 3.91Å; L26-W93 HydrophobicContact CD1-CZ3 4.29Å; L26-W93 HydrophobicContact CD2-CH2 4.46Å; L26-W93 HydrophobicContact CD2-CZ3 4.18Å; Y76-W93 HydrophobicContact CG-CE3 4.21Å; Y76-W93 HydrophobicContact CG-CZ3 4.34Å; A78-W93 HydrophobicContact CB-CD2 3.89Å; A78-W93 HydrophobicContact CB-CE3 4.11Å; A78-W93 HydrophobicContact CB-CG 4.28Å; A78-W93 HydrophobicContact CB-CZ2 4.37Å; A78-W93 HydrophobicContact CB-CZ3 4.45Å; M90-W93 HydrophobicContact CB-CZ2 3.81Å; M90-W93 HydrophobicContact CG-CZ2 4.34Å; M90-W93 PolarHBondContact O-NE1 2.79Å; M90-W93 HydrophobicContact SD-CH2 3.99Å; M90-W93 HydrophobicContact SD-CZ2 3.65Å
94G94.5Very high79.4Confident25 Ų25111.8 Ų111.826%0.25857%0.566SS.*  trans-69159.3163.400000111C77 G96C77-G94 PolarHBondContact O-N 2.77Å; G94-G96 PolarHBondContact O-N 3.04Å; G94-G96 VanDerWaalsContact O-N 3.08Å
95Q94.9Very high81Confident189 Ų189105.3 Ų105.388%0.88355%0.548SS*.  trans-64.3-14.3179.2-65-62.1-5200113.9
96G96.1Very high82.8Confident33 Ų33101.9 Ų101.934%0.3454%0.538SS..  trans87.5158.1-177.300000113Y75 G94Y75-G96 CarbonylContact O-C 3.46Å; Y75-G96 WeakPolarHBondContact O-CA 3.47Å; G94-G96 PolarHBondContact O-N 3.04Å; G94-G96 VanDerWaalsContact O-N 3.08Å
97T97.9Very high84.7Confident66 Ų6695.2 Ų95.241%0.40552%0.52SS..EExtended strand (participates in β ladder)trans-137.4135.9173.7-1720000110.4L1 L74 Y75L1-T97 HydrophobicContact CD1-CG2 3.78Å; L1-T97 HydrophobicContact CD2-CG2 3.88Å; L1-T97 HydrophobicContact CG-CG2 4.36Å; L74-T97 CarbonylContact C-O 3.47Å; L74-T97 WeakPolarHBondContact CA-O 3.08Å; Y75-T97 PolarHBondContact N-O 2.93Å; Y75-T97 PolarHBondContact O-N 3.4Å
98S97.6Very high86.8Confident80 Ų8089.3 Ų89.356%0.55951%0.506SS*.EExtended strand (participates in β ladder)trans-81.4126.4179.9-171.80000109.9
99V97.8Very high88.8Confident28 Ų2883.7 Ų83.717%0.1749%0.494CS..EExtended strand (participates in β ladder)trans-117.3119.5170.5-179.30000107.9L1 M64 T72 A73 Y75 V101L1-V99 HydrophobicContact CD1-CG2 4.04Å; L1-V99 HydrophobicContact CD2-CG2 3.88Å; L1-V99 HydrophobicContact CG-CG2 4.45Å; M64-V99 HydrophobicContact CE-CG1 4.38Å; M64-V99 HydrophobicContact CE-CG2 4.27Å; M64-V99 HydrophobicContact SD-CG1 4.29Å; M64-V99 HydrophobicContact SD-CG2 4.49Å; T72-V99 WeakPolarHBondContact CA-O 3.26Å; A73-V99 PolarHBondContact N-O 2.72Å; A73-V99 VanDerWaalsContact N-O 3.08Å; A73-V99 PolarHBondContact O-N 3.18Å; Y75-V99 HydrophobicContact CD2-CB 3.82Å; Y75-V99 HydrophobicContact CD2-CG2 3.7Å; Y75-V99 HydrophobicContact CE2-CB 3.75Å; Y75-V99 HydrophobicContact CE2-CG1 4.49Å; Y75-V99 HydrophobicContact CE2-CG2 4.07Å; Y75-V99 HydrophobicContact CG-CG2 4.46Å; V99-V101 HydrophobicContact CG1-CG2 4.24Å
100T97.3Very high90.8Very high110 Ų11086.6 Ų86.668%0.67550%0.504SS*.  trans-107.9125.7175.9-55.20000109.1T72T72-T100 HydrophobicContact CG2-CG2 4.28Å
101V95.3Very high92.2Very high29 Ų2989.9 Ų89.918%0.17653%0.526CS..  trans-115.1118176.5-174.70000107.8V67 R68 S69 T72 V99V67-V101 HydrophobicContact CB-CG2 4.29Å; V67-V101 HydrophobicContact CG2-CG1 4.39Å; V67-V101 HydrophobicContact CG2-CG2 4.13Å; R68-V101 WeakPolarHBondContact O-CB 3.3Å; S69-V101 WeakPolarHBondContact CA-O 3.22Å; T72-V101 PolarHBondContact OG1-N 2.59Å; T72-V101 PolarHBondContact OG1-O 3.09Å; V99-V101 HydrophobicContact CG1-CG2 4.24Å
102S91Very high93.6Very high104 Ų10490.3 Ų90.373%0.72753%0.532SS*.  trans-108.3152.717457.20000110.6
103S80.9Confident94.2Very high181 Ų18186.1 Ų86.1100%1.26653%0.531SS*.  trans-74.50172.358.10000112.6

Retrieved 103 of 103 residues in 26.6 ms (Link to these results)

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