A0A077ZFP8_TRITR Loading...

PGM PMM I domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M66.3Low89.3Confident138 Ų13869.7 Ų69.768%0.6833%0.334SS*.  0133.80-151.7176.9-65.900106.2Y5 A6 V39 F96M1-Y5 HydrophobicContact CG-CD1 3.89Å; M1-Y5 HydrophobicContact CG-CG 4.2Å; M1-Y5 HydrophobicContact SD-CD1 3.98Å; M1-A6 HydrophobicContact SD-CB 4.14Å; M1-V39 HydrophobicContact CE-CG2 4.39Å; M1-F96 HydrophobicContact CE-CB 4.12Å; M1-F96 HydrophobicContact CE-CD1 3.47Å; M1-F96 VanDerWaalsContact CE-CD1 3.47Å; M1-F96 HydrophobicContact CE-CD2 4.47Å; M1-F96 HydrophobicContact CE-CE1 3.93Å; M1-F96 HydrophobicContact CE-CG 3.77Å; M1-F96 HydrophobicContact SD-CD1 4.18Å; M1-F96 HydrophobicContact SD-CE1 4.45Å
2E77.2Confident90Very high162 Ų16264 Ų6476%0.75731%0.307SS*.  trans-65.6153.5176.8-77.6-176.7151.400111.1Y5E2-Y5 VanDerWaalsContact O-CB 3.29Å; E2-Y5 WeakPolarHBondContact O-CB 3.25Å; E2-Y5 PolarHBondContact O-N 2.98Å
3D85.1Confident90.6Very high145 Ų14559.5 Ų59.578%0.77529%0.286SS*.THydrogen-bonded Turntrans-55.4139.4172.8-84-9.8000110.5Y5D3-Y5 PolarHBondContact O-N 3.11Å
4H91Very high91.1Very high95 Ų9555.3 Ų55.344%0.4427%0.265SS..THydrogen-bonded Turntrans63.92.2179.6-45.3-62.6000116.2A6 E7 N8 Y126H4-A6 PolarHBondContact O-N 3.42Å; H4-E7 VanDerWaalsContact CA-OE2 3.27Å; H4-E7 WeakPolarHBondContact CA-OE2 2.96Å; H4-E7 PolarHBondContact O-N 2.89Å; H4-N8 VanDerWaalsContact O-CB 3.27Å; H4-N8 WeakPolarHBondContact O-CB 3.3Å; H4-N8 PolarHBondContact O-N 2.56Å; H4-N8 PolarHBondContact O-ND2 3.01Å; H4-Y126 HydrophobicContact CB-CE1 4.11Å; H4-Y126 AromaticContact ND1-CE1 3.68Å; H4-Y126 AromaticContact ND1-CZ 3.8Å; H4-Y126 PolarHBondContact ND1-OH 2.63Å
5Y89.5Confident91.6Very high83 Ų8354.8 Ų54.833%0.32527%0.265SS..Hα-helixtrans-57.6-54-176.9178.7-90.2000112M1 E2 D3 N8 F9M1-Y5 HydrophobicContact CG-CD1 3.89Å; M1-Y5 HydrophobicContact CG-CG 4.2Å; M1-Y5 HydrophobicContact SD-CD1 3.98Å; E2-Y5 VanDerWaalsContact O-CB 3.29Å; E2-Y5 WeakPolarHBondContact O-CB 3.25Å; E2-Y5 PolarHBondContact O-N 2.98Å; D3-Y5 PolarHBondContact O-N 3.11Å; Y5-N8 PolarHBondContact O-N 2.86Å; Y5-F9 HydrophobicContact CD1-CD2 4.3Å; Y5-F9 HydrophobicContact CD2-CD2 4.33Å; Y5-F9 HydrophobicContact CD2-CE2 4.22Å; Y5-F9 AromaticContact CE1-CD2 3.92Å; Y5-F9 HydrophobicContact CE1-CD2 3.92Å; Y5-F9 HydrophobicContact CE1-CE2 4.15Å; Y5-F9 AromaticContact CE2-CD2 3.97Å; Y5-F9 HydrophobicContact CE2-CD2 3.97Å; Y5-F9 AromaticContact CE2-CE2 3.53Å; Y5-F9 HydrophobicContact CE2-CE2 3.53Å; Y5-F9 HydrophobicContact CG-CD2 4.49Å; Y5-F9 AromaticContact CZ-CD2 3.73Å; Y5-F9 AromaticContact CZ-CE2 3.48Å; Y5-F9 VanDerWaalsContact CZ-CE2 3.48Å; Y5-F9 WeakPolarHBondContact O-CD2 3.39Å; Y5-F9 PolarHBondContact O-N 3.19Å; Y5-F9 VanDerWaalsContact O-N 3.11Å
6A91.7Very high91.9Very high2 Ų251.4 Ų51.42%0.01725%0.248CC..Hα-helixtrans-68.9-41.2-177.100000111.1M1 H4 N8 F9 I10 V39 I98M1-A6 HydrophobicContact SD-CB 4.14Å; H4-A6 PolarHBondContact O-N 3.42Å; A6-N8 VanDerWaalsContact C-N 3.34Å; A6-N8 PolarHBondContact O-N 2.92Å; A6-F9 PolarHBondContact O-N 3.23Å; A6-I10 WeakPolarHBondContact O-CB 3.3Å; A6-I10 WeakPolarHBondContact O-CD1 2.94Å; A6-I10 WeakPolarHBondContact O-CG1 3.48Å; A6-I10 PolarHBondContact O-N 3.4Å; A6-V39 HydrophobicContact CB-CG1 4.31Å; A6-V39 HydrophobicContact CB-CG2 4.32Å; A6-I98 HydrophobicContact CB-CD1 4.13Å
7E95.5Very high92.1Very high31 Ų3149.8 Ų49.815%0.14525%0.248CC..Hα-helixtrans-59.1-45.5177.1-66.791.715800112.2H4 I10 Q11 Q42 I46 Y126H4-E7 VanDerWaalsContact CA-OE2 3.27Å; H4-E7 WeakPolarHBondContact CA-OE2 2.96Å; H4-E7 PolarHBondContact O-N 2.89Å; E7-I10 PolarHBondContact O-N 2.93Å; E7-Q11 WeakPolarHBondContact O-CB 3.23Å; E7-Q11 PolarHBondContact O-N 3.47Å; E7-Q42 HydrophobicContact CG-CG 4.21Å; E7-Q42 PolarHBondContact OE1-NE2 2.98Å; E7-Q42 PolarHBondContact OE2-NE2 2.68Å; E7-I46 VanDerWaalsContact CA-CD1 3.41Å; E7-I46 HydrophobicContact CB-CD1 3.63Å; E7-I46 HydrophobicContact CG-CD1 3.76Å; E7-Y126 HydrophobicContact CB-CD1 3.83Å; E7-Y126 HydrophobicContact CB-CD2 3.87Å; E7-Y126 HydrophobicContact CB-CE1 3.73Å; E7-Y126 HydrophobicContact CB-CE2 3.75Å; E7-Y126 HydrophobicContact CB-CG 3.9Å; E7-Y126 HydrophobicContact CG-CD2 4.27Å; E7-Y126 HydrophobicContact CG-CE1 4.33Å; E7-Y126 HydrophobicContact CG-CE2 3.75Å
8N95.7Very high92.4Very high47 Ų4747.7 Ų47.725%0.25124%0.238SC..Hα-helixtrans-61-48.3177.3-72.2-11.7000111H4 Y5 A6 I10 Q11 C12 I123H4-N8 VanDerWaalsContact O-CB 3.27Å; H4-N8 WeakPolarHBondContact O-CB 3.3Å; H4-N8 PolarHBondContact O-N 2.56Å; H4-N8 PolarHBondContact O-ND2 3.01Å; Y5-N8 PolarHBondContact O-N 2.86Å; A6-N8 VanDerWaalsContact C-N 3.34Å; A6-N8 PolarHBondContact O-N 2.92Å; N8-I10 PolarHBondContact O-N 2.85Å; N8-Q11 PolarHBondContact O-N 3.16Å; N8-C12 WeakPolarHBondContact O-CB 3.37Å; N8-C12 PolarHBondContact O-N 3.12Å; N8-C12 PolarHBondContact O-SG 2.82Å; N8-I123 HydrophobicContact CB-CD1 4.17Å; N8-I123 HydrophobicContact CB-CG2 4.21Å
9F95.1Very high92.6Very high57 Ų5751.1 Ų51.125%0.2525%0.251CS..Hα-helixtrans-63.5-40.8178.4-94.9-84.1000112.7Y5 A6 N13 I98 T120Y5-F9 HydrophobicContact CD1-CD2 4.3Å; Y5-F9 HydrophobicContact CD2-CD2 4.33Å; Y5-F9 HydrophobicContact CD2-CE2 4.22Å; Y5-F9 AromaticContact CE1-CD2 3.92Å; Y5-F9 HydrophobicContact CE1-CD2 3.92Å; Y5-F9 HydrophobicContact CE1-CE2 4.15Å; Y5-F9 AromaticContact CE2-CD2 3.97Å; Y5-F9 HydrophobicContact CE2-CD2 3.97Å; Y5-F9 AromaticContact CE2-CE2 3.53Å; Y5-F9 HydrophobicContact CE2-CE2 3.53Å; Y5-F9 HydrophobicContact CG-CD2 4.49Å; Y5-F9 AromaticContact CZ-CD2 3.73Å; Y5-F9 AromaticContact CZ-CE2 3.48Å; Y5-F9 VanDerWaalsContact CZ-CE2 3.48Å; Y5-F9 WeakPolarHBondContact O-CD2 3.39Å; Y5-F9 PolarHBondContact O-N 3.19Å; Y5-F9 VanDerWaalsContact O-N 3.11Å; A6-F9 PolarHBondContact O-N 3.23Å; F9-N13 WeakPolarHBondContact O-CB 3.37Å; F9-N13 VanDerWaalsContact O-CG 3.32Å; F9-N13 PolarHBondContact O-N 3.36Å; F9-N13 PolarHBondContact O-ND2 2.67Å; F9-I98 HydrophobicContact CB-CD1 4.05Å; F9-T120 HydrophobicContact CD1-CG2 4.11Å; F9-T120 HydrophobicContact CE1-CG2 3.9Å; F9-T120 HydrophobicContact CZ-CG2 4.14Å
10I96.9Very high92.6Very high0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-63.2-48.9177.1-65.9158.9000109.6A6 E7 N8 C12 N13 L14 V39 Q42 I43 I46 I81 I98A6-I10 WeakPolarHBondContact O-CB 3.3Å; A6-I10 WeakPolarHBondContact O-CD1 2.94Å; A6-I10 WeakPolarHBondContact O-CG1 3.48Å; A6-I10 PolarHBondContact O-N 3.4Å; E7-I10 PolarHBondContact O-N 2.93Å; N8-I10 PolarHBondContact O-N 2.85Å; I10-C12 PolarHBondContact O-N 2.92Å; I10-N13 PolarHBondContact O-N 2.84Å; I10-L14 WeakPolarHBondContact O-CG 3.14Å; I10-L14 PolarHBondContact O-N 3.05Å; I10-V39 HydrophobicContact CD1-CG1 4.28Å; I10-Q42 HydrophobicContact CD1-CB 3.76Å; I10-I43 HydrophobicContact CD1-CB 4.48Å; I10-I43 HydrophobicContact CD1-CG1 3.6Å; I10-I43 HydrophobicContact CG1-CG1 3.92Å; I10-I43 HydrophobicContact CG2-CG1 4.45Å; I10-I46 HydrophobicContact CB-CD1 3.96Å; I10-I46 HydrophobicContact CB-CG2 4.48Å; I10-I46 HydrophobicContact CD1-CD1 4.23Å; I10-I46 HydrophobicContact CG2-CB 3.84Å; I10-I46 HydrophobicContact CG2-CD1 4.03Å; I10-I46 HydrophobicContact CG2-CG2 3.7Å; I10-I81 HydrophobicContact CG2-CD1 4.26Å; I10-I98 HydrophobicContact CG1-CD1 4.16Å
11Q98.1Very high92.7Very high7 Ų761.9 Ų61.93%0.03330%0.303CS..Hα-helixtrans-58.8-48.4178.1-176.265.559.300111.4E7 N8 N13 L14 D15 I46 N50 I123E7-Q11 WeakPolarHBondContact O-CB 3.23Å; E7-Q11 PolarHBondContact O-N 3.47Å; N8-Q11 PolarHBondContact O-N 3.16Å; Q11-N13 VanDerWaalsContact C-N 3.33Å; Q11-N13 PolarHBondContact O-N 3.21Å; Q11-L14 PolarHBondContact O-N 3.48Å; Q11-L14 VanDerWaalsContact O-N 3.16Å; Q11-D15 WeakPolarHBondContact CG-OD2 3.22Å; Q11-D15 VanDerWaalsContact NE2-CG 3.3Å; Q11-D15 PolarHBondContact NE2-OD1 3.06Å; Q11-D15 VanDerWaalsContact NE2-OD1 3.09Å; Q11-D15 PolarHBondContact NE2-OD2 2.93Å; Q11-D15 WeakPolarHBondContact O-CB 3.46Å; Q11-D15 PolarHBondContact O-N 3.38Å; Q11-I46 HydrophobicContact CB-CG2 4.42Å; Q11-N50 PolarHBondContact NE2-ND2 2.94Å; Q11-N50 PolarHBondContact NE2-OD1 2.91Å; Q11-N50 PolarHBondContact OE1-ND2 2.79Å; Q11-I123 HydrophobicContact CB-CD1 3.93Å; Q11-I123 HydrophobicContact CG-CD1 3.91Å
12C97.7Very high94.2Very high1 Ų157.2 Ų57.21%0.00728%0.279CS..Hα-helixtrans-62.6-36.4177.6-67.10000112.9N8 I10 G16 I116 L119 T120 I123N8-C12 WeakPolarHBondContact O-CB 3.37Å; N8-C12 PolarHBondContact O-N 3.12Å; N8-C12 PolarHBondContact O-SG 2.82Å; I10-C12 PolarHBondContact O-N 2.92Å; C12-G16 PolarHBondContact O-N 2.62Å; C12-I116 HydrophobicContact CB-CG2 4.26Å; C12-L119 HydrophobicContact CB-CB 4.05Å; C12-L119 VanDerWaalsContact SG-C 3.53Å; C12-T120 HydrophobicContact CB-CG2 3.76Å; C12-T120 PolarHBondContact SG-N 3.49Å; C12-I123 VanDerWaalsContact SG-CD1 3.58Å
13N97.4Very high95.1Very high6 Ų656.9 Ų56.93%0.03228%0.275CS..Hα-helixtrans-64.1-41.6174.4-82.1-56.9000111.5F9 I10 Q11 G17 F100F9-N13 WeakPolarHBondContact O-CB 3.37Å; F9-N13 VanDerWaalsContact O-CG 3.32Å; F9-N13 PolarHBondContact O-N 3.36Å; F9-N13 PolarHBondContact O-ND2 2.67Å; I10-N13 PolarHBondContact O-N 2.84Å; Q11-N13 VanDerWaalsContact C-N 3.33Å; Q11-N13 PolarHBondContact O-N 3.21Å; N13-G17 VanDerWaalsContact O-CA 3.25Å; N13-G17 WeakPolarHBondContact O-CA 3.42Å; N13-G17 PolarHBondContact O-N 3.07Å; N13-F100 HydrophobicContact CB-CB 4.26Å; N13-F100 HydrophobicContact CB-CD2 4.06Å; N13-F100 HydrophobicContact CB-CG 4.38Å; N13-F100 WeakPolarHBondContact OD1-CB 3.38Å
14L98.2Very high95.7Very high0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-66.3-47.9175.6-61.8-177.7000111.3I10 Q11 L18 K19 K22 L27 I46 N50 V52 I81I10-L14 WeakPolarHBondContact O-CG 3.14Å; I10-L14 PolarHBondContact O-N 3.05Å; Q11-L14 PolarHBondContact O-N 3.48Å; Q11-L14 VanDerWaalsContact O-N 3.16Å; L14-L18 HydrophobicContact CD2-CD1 3.99Å; L14-L18 WeakPolarHBondContact O-CA 3.25Å; L14-L18 WeakPolarHBondContact O-CB 3.24Å; L14-L18 PolarHBondContact O-N 3.47Å; L14-K19 PolarHBondContact O-N 2.85Å; L14-K19 VanDerWaalsContact O-N 3.15Å; L14-K22 HydrophobicContact CB-CD 3.85Å; L14-K22 HydrophobicContact CB-CG 4.34Å; L14-L27 HydrophobicContact CD2-CD1 3.58Å; L14-I46 HydrophobicContact CD1-CG2 3.93Å; L14-N50 HydrophobicContact CD1-CB 3.79Å; L14-V52 HydrophobicContact CD2-CG2 4.42Å; L14-I81 HydrophobicContact CD2-CD1 4.29Å
15D97.8Very high96Very high48 Ų4848.2 Ų48.226%0.25725%0.245SC..Hα-helixtrans-66.9-40.4-177.8-69.4-22.7000112.5Q11 K19 K22 L119Q11-D15 WeakPolarHBondContact CG-OD2 3.22Å; Q11-D15 VanDerWaalsContact NE2-CG 3.3Å; Q11-D15 PolarHBondContact NE2-OD1 3.06Å; Q11-D15 VanDerWaalsContact NE2-OD1 3.09Å; Q11-D15 PolarHBondContact NE2-OD2 2.93Å; Q11-D15 WeakPolarHBondContact O-CB 3.46Å; Q11-D15 PolarHBondContact O-N 3.38Å; D15-K19 WeakPolarHBondContact O-CA 3.38Å; D15-K19 WeakPolarHBondContact O-CG 3.47Å; D15-K19 PolarHBondContact O-N 2.78Å; D15-K22 IonicContact OD1-NZ 3.9Å; D15-K22 PolarHBondContact OD1-NZ 3.3Å; D15-L119 HydrophobicContact CB-CD1 3.86Å
16G96.9Very high96.5Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-83.2-40.3-179.500000113.6C12 K19 N115C12-G16 PolarHBondContact O-N 2.62Å; G16-K19 WeakPolarHBondContact O-CE 3.26Å; G16-N115 WeakPolarHBondContact CA-ND2 3.34Å
17G96.3Very high96.8Very high24 Ų2445.6 Ų45.625%0.24724%0.237CC..Hα-helixtrans-81.8-42.6-174.900000113.9N13N13-G17 VanDerWaalsContact O-CA 3.25Å; N13-G17 WeakPolarHBondContact O-CA 3.42Å; N13-G17 PolarHBondContact O-N 3.07Å
18L97Very high96.9Very high12 Ų1244.1 Ų44.16%0.06323%0.23CC..THydrogen-bonded Turntrans-103.3-25.1180-60.8177.6000113.2L14 D20 K21 K22 T25 L27 D78 F100L14-L18 HydrophobicContact CD2-CD1 3.99Å; L14-L18 WeakPolarHBondContact O-CA 3.25Å; L14-L18 WeakPolarHBondContact O-CB 3.24Å; L14-L18 PolarHBondContact O-N 3.47Å; L18-D20 PolarHBondContact O-N 3.14Å; L18-K21 WeakPolarHBondContact O-CB 3.28Å; L18-K21 PolarHBondContact O-N 3.3Å; L18-K21 VanDerWaalsContact O-N 3.07Å; L18-K22 HydrophobicContact CB-CG 3.63Å; L18-K22 HydrophobicContact CD1-CG 4.12Å; L18-T25 HydrophobicContact CD1-CG2 4.27Å; L18-T25 HydrophobicContact CD2-CG2 4.34Å; L18-L27 HydrophobicContact CD1-CD1 4.17Å; L18-L27 HydrophobicContact CD1-CD2 4.07Å; L18-L27 HydrophobicContact CD1-CG 4.32Å; L18-L27 HydrophobicContact CD2-CD2 4.42Å; L18-D78 HydrophobicContact CD2-CB 3.86Å; L18-F100 HydrophobicContact CD2-CZ 3.93Å; L18-F100 HydrophobicContact CG-CZ 3.92Å
19K95.3Very high97Very high112 Ų11241.9 Ų41.949%0.48722%0.218SC..G310 helixtrans54.7-134.2179.6-54.3-179177.7-174.30111.5L14 D15 G16 K21 K22L14-K19 PolarHBondContact O-N 2.85Å; L14-K19 VanDerWaalsContact O-N 3.15Å; D15-K19 WeakPolarHBondContact O-CA 3.38Å; D15-K19 WeakPolarHBondContact O-CG 3.47Å; D15-K19 PolarHBondContact O-N 2.78Å; G16-K19 WeakPolarHBondContact O-CE 3.26Å; K19-K21 PolarHBondContact O-N 3.06Å; K19-K21 VanDerWaalsContact O-N 3.14Å; K19-K22 VanDerWaalsContact O-CE 3.22Å; K19-K22 WeakPolarHBondContact O-CE 3.19Å; K19-K22 VanDerWaalsContact O-CG 3.28Å; K19-K22 WeakPolarHBondContact O-CG 3.39Å; K19-K22 PolarHBondContact O-N 3.21Å
20D93.1Very high97Very high163 Ų16339.2 Ų39.287%0.87221%0.206SC*.G310 helixtrans-69.4-9.6-179.6-54.9-44.3000113.6L18 K22L18-D20 PolarHBondContact O-N 3.14Å; D20-K22 VanDerWaalsContact C-N 3.35Å
21K95.2Very high96.7Very high166 Ų16639.2 Ų39.272%0.72221%0.207SC*.G310 helixtrans-84.5-4-178-60-176.1-179.9-179.50113.7L18 K19 K23 T25L18-K21 WeakPolarHBondContact O-CB 3.28Å; L18-K21 PolarHBondContact O-N 3.3Å; L18-K21 VanDerWaalsContact O-N 3.07Å; K19-K21 PolarHBondContact O-N 3.06Å; K19-K21 VanDerWaalsContact O-N 3.14Å; K21-K23 PolarHBondContact O-N 3.33Å; K21-T25 WeakPolarHBondContact O-CG2 3.47Å
22K96.6Very high96.2Very high40 Ų4041.7 Ų41.717%0.17422%0.22CC..  trans-45.6-42.6-176.7-72.6171.8-59.9178.90114L14 D15 L18 K19 D20 G24 T25 N50L14-K22 HydrophobicContact CB-CD 3.85Å; L14-K22 HydrophobicContact CB-CG 4.34Å; D15-K22 IonicContact OD1-NZ 3.9Å; D15-K22 PolarHBondContact OD1-NZ 3.3Å; L18-K22 HydrophobicContact CB-CG 3.63Å; L18-K22 HydrophobicContact CD1-CG 4.12Å; K19-K22 VanDerWaalsContact O-CE 3.22Å; K19-K22 WeakPolarHBondContact O-CE 3.19Å; K19-K22 VanDerWaalsContact O-CG 3.28Å; K19-K22 WeakPolarHBondContact O-CG 3.39Å; K19-K22 PolarHBondContact O-N 3.21Å; D20-K22 VanDerWaalsContact C-N 3.35Å; K22-G24 PolarHBondContact O-N 2.8Å; K22-T25 WeakPolarHBondContact O-CB 3.26Å; K22-T25 WeakPolarHBondContact O-CG2 3.34Å; K22-T25 PolarHBondContact O-N 2.81Å; K22-T25 VanDerWaalsContact O-N 3.16Å; K22-T25 PolarHBondContact O-OG1 2.64Å; K22-N50 HydrophobicContact CD-CB 4.24Å; K22-N50 PolarHBondContact NZ-OD1 3.35Å
23K97.2Very high95.4Very high156 Ų15643.6 Ų43.668%0.67824%0.24SC*.THydrogen-bonded Turntrans-61.6120-174.4-174.1-179.7179.2-175.70111.5K21 T25 R51K21-K23 PolarHBondContact O-N 3.33Å; K23-T25 VanDerWaalsContact C-N 3.27Å; K23-T25 PolarHBondContact O-N 3.28Å; K23-R51 CarbonylContact C-O 3.55Å; K23-R51 VanDerWaalsContact CA-O 3.3Å; K23-R51 WeakPolarHBondContact CA-O 3.35Å; K23-R51 HydrophobicContact CB-CB 4.32Å; K23-R51 HydrophobicContact CG-CB 4.05Å
24G97.3Very high94.4Very high53 Ų5344.5 Ų44.555%0.54624%0.243SC..THydrogen-bonded Turntrans78.95.7176.900000114.7K22 R51K22-G24 PolarHBondContact O-N 2.8Å; G24-R51 PolarHBondContact N-O 3.01Å
25T98.2Very high92.8Very high5 Ų549 Ų493%0.03127%0.267CS..  trans-66.9157.1178.150.80000112.6L18 K21 K22 K23 V52 G53 H54 D78L18-T25 HydrophobicContact CD1-CG2 4.27Å; L18-T25 HydrophobicContact CD2-CG2 4.34Å; K21-T25 WeakPolarHBondContact O-CG2 3.47Å; K22-T25 WeakPolarHBondContact O-CB 3.26Å; K22-T25 WeakPolarHBondContact O-CG2 3.34Å; K22-T25 PolarHBondContact O-N 2.81Å; K22-T25 VanDerWaalsContact O-N 3.16Å; K22-T25 PolarHBondContact O-OG1 2.64Å; K23-T25 VanDerWaalsContact C-N 3.27Å; K23-T25 PolarHBondContact O-N 3.28Å; T25-V52 WeakPolarHBondContact O-CG1 3.38Å; T25-G53 PolarHBondContact O-N 3.07Å; T25-H54 PolarHBondContact O-N 3.36Å; T25-D78 VanDerWaalsContact CA-OD2 3.23Å; T25-D78 WeakPolarHBondContact CA-OD2 3.45Å; T25-D78 VanDerWaalsContact CB-OD2 3.28Å; T25-D78 WeakPolarHBondContact CB-OD2 3.26Å; T25-D78 HydrophobicContact CG2-CB 3.91Å
26T98.7Very high91.4Very high29 Ų2947.2 Ų47.218%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-104.2125.5167.8-59.50000109.6H54 K56 A77 D78T26-H54 CarbonylContact C-O 3.55Å; T26-H54 VanDerWaalsContact CA-O 3.28Å; T26-H54 WeakPolarHBondContact CA-O 3.4Å; T26-H54 HydrophobicContact CG2-CB 4.08Å; T26-K56 HydrophobicContact CG2-CD 4.07Å; T26-K56 HydrophobicContact CG2-CG 4.45Å; T26-A77 HydrophobicContact CG2-CB 3.96Å; T26-A77 WeakPolarHBondContact O-CB 3.28Å; T26-D78 PolarHBondContact N-OD2 2.92Å; T26-D78 PolarHBondContact O-N 3.29Å
27L98.6Very high90.2Very high0 Ų051.7 Ų51.70%028%0.281CS..EExtended strand (participates in β ladder)trans-115141.4173.8-72.8178000111L14 L18 V52 H54 I55 K56 I81 F100L14-L27 HydrophobicContact CD2-CD1 3.58Å; L18-L27 HydrophobicContact CD1-CD1 4.17Å; L18-L27 HydrophobicContact CD1-CD2 4.07Å; L18-L27 HydrophobicContact CD1-CG 4.32Å; L18-L27 HydrophobicContact CD2-CD2 4.42Å; L27-V52 HydrophobicContact CB-CG1 4.49Å; L27-V52 HydrophobicContact CD1-CG1 4.13Å; L27-V52 HydrophobicContact CD1-CG2 4.03Å; L27-V52 HydrophobicContact CG-CG1 4.24Å; L27-H54 PolarHBondContact N-O 3.34Å; L27-I55 CarbonylContact O-C 3.51Å; L27-I55 WeakPolarHBondContact O-CA 3.24Å; L27-K56 PolarHBondContact O-N 2.97Å; L27-I81 HydrophobicContact CD1-CD1 4.37Å; L27-F100 HydrophobicContact CD2-CE2 3.97Å; L27-F100 HydrophobicContact CD2-CZ 4.19Å
28V98.2Very high89.6Confident0 Ų056.6 Ų56.60%030%0.302CS..EExtended strand (participates in β ladder)trans-90.5138.6163178.60000109K56 M63 M68 A71 I72 A77 G79 A80 I81V28-K56 CarbonylContact C-O 3.49Å; V28-K56 VanDerWaalsContact CA-O 3.26Å; V28-K56 WeakPolarHBondContact CA-O 3.11Å; V28-K56 HydrophobicContact CG2-CB 4.43Å; V28-M63 HydrophobicContact CG1-CE 4.16Å; V28-M63 HydrophobicContact CG1-SD 4.4Å; V28-M68 HydrophobicContact CG1-CG 4.32Å; V28-A71 HydrophobicContact CG1-CB 4.12Å; V28-A71 HydrophobicContact CG2-CB 4.04Å; V28-I72 HydrophobicContact CB-CG1 4.08Å; V28-I72 HydrophobicContact CG2-CG1 3.94Å; V28-A77 HydrophobicContact CG2-CB 3.99Å; V28-G79 PolarHBondContact N-O 3.1Å; V28-A80 HydrophobicContact CB-CB 3.9Å; V28-A80 CarbonylContact O-C 3.53Å; V28-A80 WeakPolarHBondContact O-CA 3.45Å; V28-A80 WeakPolarHBondContact O-CB 3.38Å; V28-I81 PolarHBondContact O-N 3.13Å
29V97Very high89.3Confident0 Ų056.2 Ų56.20%030%0.3CS..EExtended strand (participates in β ladder)trans-126.4134.5176.5178.80000109.1I43 I55 K56 M57V29-I43 HydrophobicContact CG1-CD1 3.79Å; V29-I43 HydrophobicContact CG1-CG2 4.27Å; V29-I43 HydrophobicContact CG2-CG2 3.8Å; V29-I55 HydrophobicContact CB-CG2 4.14Å; V29-I55 HydrophobicContact CG2-CG2 3.7Å; V29-K56 PolarHBondContact N-O 2.92Å; V29-M57 HydrophobicContact CB-CB 4.34Å; V29-M57 WeakPolarHBondContact O-CB 3.49Å
30G94.8Very high89.2Confident1 Ų151 Ų511%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-177.1175.5175.700000112.6G61 M68 I81 I82 L83G30-G61 CarbonylContact C-O 3.56Å; G30-G61 VanDerWaalsContact CA-O 3.24Å; G30-G61 WeakPolarHBondContact CA-O 3.46Å; G30-M68 VanDerWaalsContact C-SD 3.52Å; G30-I81 PolarHBondContact N-O 3.33Å; G30-I82 CarbonylContact O-C 3.54Å; G30-I82 WeakPolarHBondContact O-CA 3.45Å; G30-L83 PolarHBondContact O-N 3.29Å
31G91.7Very high89.2Confident1 Ų145.8 Ų45.81%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-168.8-176.9-177.500000114.3G33 G61 L62 M63 L83G31-G33 VanDerWaalsContact C-N 3.33Å; G31-G33 PolarHBondContact O-N 2.99Å; G31-G61 PolarHBondContact N-O 3.37Å; G31-L62 WeakPolarHBondContact O-CA 3.07Å; G31-M63 CarbonylContact C-O 3.56Å; G31-M63 PolarHBondContact O-N 2.9Å; G31-L83 CarbonylContact C-O 3.58Å; G31-L83 WeakPolarHBondContact CA-O 3.21Å
32D87.5Confident89.2Confident59 Ų5939.4 Ų39.432%0.31622%0.22SC..SBendtrans-85.21.1-1746523.9000114.9R34 L62 L83 T84D32-R34 WeakPolarHBondContact OD1-CG 3.37Å; D32-R34 PolarHBondContact OD1-N 3.25Å; D32-R34 IonicContact OD1-NE 3.94Å; D32-R34 PolarHBondContact OD1-NE 3.3Å; D32-R34 VanDerWaalsContact OD1-NE 3.09Å; D32-R34 IonicContact OD2-CZ 3.2Å; D32-R34 IonicContact OD2-NE 3.99Å; D32-R34 PolarHBondContact OD2-NE 2.85Å; D32-R34 IonicContact OD2-NH2 3.09Å; D32-L62 VanDerWaalsContact C-CD1 3.48Å; D32-L62 WeakPolarHBondContact O-CD1 3.24Å; D32-L83 PolarHBondContact N-O 2.85Å; D32-T84 VanDerWaalsContact OD2-CA 3.29Å; D32-T84 WeakPolarHBondContact OD2-CA 3.47Å; D32-T84 VanDerWaalsContact OD2-CB 3.3Å; D32-T84 WeakPolarHBondContact OD2-CB 3.42Å; D32-T84 PolarHBondContact OD2-OG1 2.81Å
33G81.2Confident89.2Confident40 Ų4037.6 Ų37.641%0.41221%0.212SC..SBendtrans107.2-16.9176.100000114.6G31 L36G31-G33 VanDerWaalsContact C-N 3.33Å; G31-G33 PolarHBondContact O-N 2.99Å; G33-L36 VanDerWaalsContact CA-CD1 3.44Å
34R76Confident89.2Confident25 Ų2530.2 Ų30.29%0.09418%0.18CC..THydrogen-bonded Turntrans-77.1132.8-176.475.6-175.965.6-154.2-3.8113.1D32 L36 S88 P89 D90 D95 F96D32-R34 WeakPolarHBondContact OD1-CG 3.37Å; D32-R34 PolarHBondContact OD1-N 3.25Å; D32-R34 IonicContact OD1-NE 3.94Å; D32-R34 PolarHBondContact OD1-NE 3.3Å; D32-R34 VanDerWaalsContact OD1-NE 3.09Å; D32-R34 IonicContact OD2-CZ 3.2Å; D32-R34 IonicContact OD2-NE 3.99Å; D32-R34 PolarHBondContact OD2-NE 2.85Å; D32-R34 IonicContact OD2-NH2 3.09Å; R34-L36 WeakPolarHBondContact O-CG 3.48Å; R34-L36 PolarHBondContact O-N 3.47Å; R34-S88 PolarHBondContact NH1-O 2.88Å; R34-S88 VanDerWaalsContact NH1-O 3.09Å; R34-S88 PolarHBondContact NH2-O 2.93Å; R34-P89 PolarHBondContact NH1-O 2.9Å; R34-D90 VanDerWaalsContact CB-OD1 3.26Å; R34-D90 WeakPolarHBondContact CB-OD1 3.35Å; R34-D90 VanDerWaalsContact CB-OD2 3.26Å; R34-D90 WeakPolarHBondContact CB-OD2 3.28Å; R34-D90 IonicContact CZ-OD1 2.64Å; R34-D90 IonicContact NE-OD1 3.3Å; R34-D90 IonicContact NH1-OD1 3.8Å; R34-D95 PolarHBondContact NH1-O 3.46Å; R34-F96 HydrophobicContact CG-CD2 4.2Å
35N64.3Low89.2Confident94 Ų9431 Ų3150%0.50317%0.166SC..THydrogen-bonded Turntrans4238.7171.3-64.9-34.5000114.7
36L68.5Low89.2Confident12 Ų1230.8 Ų30.86%0.06317%0.165CC..Hα-helixtrans-75.2-34.9-165.4-69.5177.4000114G33 R34 D38 V39 V40 S60 L83G33-L36 VanDerWaalsContact CA-CD1 3.44Å; R34-L36 WeakPolarHBondContact O-CG 3.48Å; R34-L36 PolarHBondContact O-N 3.47Å; L36-D38 PolarHBondContact O-N 2.99Å; L36-V39 PolarHBondContact O-N 3.09Å; L36-V40 HydrophobicContact CB-CG2 4.3Å; L36-V40 WeakPolarHBondContact O-CB 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.29Å; L36-V40 PolarHBondContact O-N 3.21Å; L36-S60 WeakPolarHBondContact CD1-O 3.06Å; L36-L83 HydrophobicContact CD2-CB 3.64Å; L36-L83 HydrophobicContact CD2-CD1 3.58Å; L36-L83 HydrophobicContact CD2-CG 4.24Å
37N71.7Confident89.2Confident94 Ų9429.4 Ų29.450%0.50316%0.156SC..Hα-helixtrans-62.7-50.3-160-70.2-19.2000113V39 V40 F41 Y136N37-V39 PolarHBondContact O-N 2.89Å; N37-V40 PolarHBondContact O-N 3.05Å; N37-F41 WeakPolarHBondContact O-CD2 3.36Å; N37-F41 PolarHBondContact O-N 2.81Å; N37-Y136 WeakPolarHBondContact CA-OH 3.37Å; N37-Y136 PolarHBondContact OD1-OH 2.74Å
38D83.3Confident89.1Confident127 Ų12729.5 Ų29.568%0.67916%0.157SC*.Hα-helixtrans-67-40.3-175.9-60.8-20.9000111.4L36 F41 Q42L36-D38 PolarHBondContact O-N 2.99Å; D38-F41 PolarHBondContact O-N 3.27Å; D38-Q42 PolarHBondContact O-N 2.81Å; D38-Q42 VanDerWaalsContact O-N 3.16Å
39V90.9Very high89.1Confident4 Ų430.4 Ų30.42%0.02417%0.165CC..Hα-helixtrans-72.1-35.4-178.8-176.60000111.5M1 A6 I10 L36 N37 F41 Q42 I43 L83 F96 I98M1-V39 HydrophobicContact CE-CG2 4.39Å; A6-V39 HydrophobicContact CB-CG1 4.31Å; A6-V39 HydrophobicContact CB-CG2 4.32Å; I10-V39 HydrophobicContact CD1-CG1 4.28Å; L36-V39 PolarHBondContact O-N 3.09Å; N37-V39 PolarHBondContact O-N 2.89Å; V39-F41 VanDerWaalsContact C-N 3.32Å; V39-F41 PolarHBondContact O-N 3.15Å; V39-Q42 WeakPolarHBondContact O-CB 3.44Å; V39-Q42 PolarHBondContact O-N 2.91Å; V39-I43 HydrophobicContact CG1-CD1 4.41Å; V39-I43 WeakPolarHBondContact O-CG1 3.47Å; V39-I43 PolarHBondContact O-N 3.45Å; V39-L83 HydrophobicContact CB-CD1 4.34Å; V39-L83 HydrophobicContact CG1-CD1 4.16Å; V39-L83 HydrophobicContact CG1-CD2 3.74Å; V39-F96 HydrophobicContact CB-CE1 4.42Å; V39-F96 HydrophobicContact CB-CZ 3.91Å; V39-F96 HydrophobicContact CG1-CE1 4.13Å; V39-F96 HydrophobicContact CG1-CZ 3.85Å; V39-F96 HydrophobicContact CG2-CE1 3.7Å; V39-F96 HydrophobicContact CG2-CE2 4.35Å; V39-F96 HydrophobicContact CG2-CZ 3.46Å; V39-F96 VanDerWaalsContact CG2-CZ 3.46Å; V39-I98 HydrophobicContact CG1-CD1 4.07Å
40V93.3Very high89.2Confident1 Ų131.2 Ų31.21%0.00617%0.169CC..Hα-helixtrans-61.9-41.5175.41670000110.9L36 N37 I43 F44 M57 L83 Y136L36-V40 HydrophobicContact CB-CG2 4.3Å; L36-V40 WeakPolarHBondContact O-CB 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.29Å; L36-V40 PolarHBondContact O-N 3.21Å; N37-V40 PolarHBondContact O-N 3.05Å; V40-I43 WeakPolarHBondContact O-CB 3.5Å; V40-I43 PolarHBondContact O-N 2.93Å; V40-F44 HydrophobicContact CG1-CD2 4.01Å; V40-F44 HydrophobicContact CG1-CE2 3.42Å; V40-F44 VanDerWaalsContact CG1-CE2 3.42Å; V40-F44 HydrophobicContact CG1-CZ 4Å; V40-F44 VanDerWaalsContact O-CD2 3.25Å; V40-F44 WeakPolarHBondContact O-CD2 3.46Å; V40-F44 PolarHBondContact O-N 3.44Å; V40-F44 VanDerWaalsContact O-N 3.07Å; V40-M57 HydrophobicContact CG1-CE 4.05Å; V40-L83 HydrophobicContact CG2-CD1 3.79Å; V40-Y136 HydrophobicContact CG1-CD1 4.06Å; V40-Y136 HydrophobicContact CG1-CD2 4.2Å; V40-Y136 HydrophobicContact CG1-CE1 3.87Å; V40-Y136 HydrophobicContact CG1-CE2 4.04Å; V40-Y136 HydrophobicContact CG1-CG 4.22Å
41F93.7Very high89.3Confident54 Ų5436.8 Ų36.824%0.23719%0.19CC..Hα-helixtrans-62.9-42.4173.4-77.6-65.7000112.2N37 D38 V39 I43 F44 R45 L133 Y136N37-F41 WeakPolarHBondContact O-CD2 3.36Å; N37-F41 PolarHBondContact O-N 2.81Å; D38-F41 PolarHBondContact O-N 3.27Å; V39-F41 VanDerWaalsContact C-N 3.32Å; V39-F41 PolarHBondContact O-N 3.15Å; F41-I43 VanDerWaalsContact C-N 3.29Å; F41-I43 PolarHBondContact O-N 2.96Å; F41-F44 HydrophobicContact CD1-CD2 4.41Å; F41-F44 PolarHBondContact O-N 2.93Å; F41-R45 WeakPolarHBondContact O-CG 3.25Å; F41-R45 PolarHBondContact O-N 2.99Å; F41-L133 HydrophobicContact CE1-CD2 4.41Å; F41-Y136 HydrophobicContact CE1-CE1 4.18Å; F41-Y136 AromaticContact CE2-CE1 3.94Å; F41-Y136 HydrophobicContact CE2-CE1 3.94Å; F41-Y136 AromaticContact CZ-CE1 3.76Å; F41-Y136 HydrophobicContact CZ-CE1 3.76Å
42Q94.9Very high89.6Confident33 Ų3336.8 Ų36.815%0.15419%0.19CC..Hα-helixtrans-60-39.5174.8-69.8166-23.200111.9E7 I10 D38 V39 R45 I46E7-Q42 HydrophobicContact CG-CG 4.21Å; E7-Q42 PolarHBondContact OE1-NE2 2.98Å; E7-Q42 PolarHBondContact OE2-NE2 2.68Å; I10-Q42 HydrophobicContact CD1-CB 3.76Å; D38-Q42 PolarHBondContact O-N 2.81Å; D38-Q42 VanDerWaalsContact O-N 3.16Å; V39-Q42 WeakPolarHBondContact O-CB 3.44Å; V39-Q42 PolarHBondContact O-N 2.91Å; Q42-R45 PolarHBondContact O-N 2.98Å; Q42-I46 WeakPolarHBondContact O-CB 3.46Å; Q42-I46 WeakPolarHBondContact O-CG1 3.18Å; Q42-I46 PolarHBondContact O-N 3.4Å
43I96.5Very high90.1Very high1 Ų134.9 Ų34.91%0.00518%0.184CC..Hα-helixtrans-59.3-50.4174.9-69.2167.7000110.5I10 V29 V39 V40 F41 R45 I46 A47 I55 I81 L83I10-I43 HydrophobicContact CD1-CB 4.48Å; I10-I43 HydrophobicContact CD1-CG1 3.6Å; I10-I43 HydrophobicContact CG1-CG1 3.92Å; I10-I43 HydrophobicContact CG2-CG1 4.45Å; V29-I43 HydrophobicContact CG1-CD1 3.79Å; V29-I43 HydrophobicContact CG1-CG2 4.27Å; V29-I43 HydrophobicContact CG2-CG2 3.8Å; V39-I43 HydrophobicContact CG1-CD1 4.41Å; V39-I43 WeakPolarHBondContact O-CG1 3.47Å; V39-I43 PolarHBondContact O-N 3.45Å; V40-I43 WeakPolarHBondContact O-CB 3.5Å; V40-I43 PolarHBondContact O-N 2.93Å; F41-I43 VanDerWaalsContact C-N 3.29Å; F41-I43 PolarHBondContact O-N 2.96Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 2.84Å; I43-I46 PolarHBondContact O-N 2.82Å; I43-A47 WeakPolarHBondContact O-CB 3.39Å; I43-A47 PolarHBondContact O-N 2.84Å; I43-I55 HydrophobicContact CG2-CD1 4.45Å; I43-I81 HydrophobicContact CD1-CB 4.36Å; I43-I81 HydrophobicContact CD1-CG2 3.64Å; I43-I81 HydrophobicContact CG1-CD1 4.42Å; I43-I81 HydrophobicContact CG1-CG2 4.26Å; I43-I81 HydrophobicContact CG2-CD1 4Å; I43-L83 HydrophobicContact CD1-CD1 4.03Å; I43-L83 HydrophobicContact CD1-CD2 4Å; I43-L83 HydrophobicContact CD1-CG 4.22Å
44F97.1Very high91Very high1 Ų134.7 Ų34.70%0.00417%0.172CC..Hα-helixtrans-57.6-47.3178.5-68.3-51.4000112V40 F41 A48 I55 M57 L132 I134 Y136 M152 V154V40-F44 HydrophobicContact CG1-CD2 4.01Å; V40-F44 HydrophobicContact CG1-CE2 3.42Å; V40-F44 VanDerWaalsContact CG1-CE2 3.42Å; V40-F44 HydrophobicContact CG1-CZ 4Å; V40-F44 VanDerWaalsContact O-CD2 3.25Å; V40-F44 WeakPolarHBondContact O-CD2 3.46Å; V40-F44 PolarHBondContact O-N 3.44Å; V40-F44 VanDerWaalsContact O-N 3.07Å; F41-F44 HydrophobicContact CD1-CD2 4.41Å; F41-F44 PolarHBondContact O-N 2.93Å; F44-A48 WeakPolarHBondContact O-CB 3.41Å; F44-A48 PolarHBondContact O-N 3.35Å; F44-I55 HydrophobicContact CD1-CD1 3.64Å; F44-I55 HydrophobicContact CD1-CG2 4.41Å; F44-I55 HydrophobicContact CE1-CB 4.36Å; F44-I55 HydrophobicContact CE1-CD1 4.14Å; F44-I55 HydrophobicContact CE1-CG2 3.82Å; F44-M57 HydrophobicContact CE1-SD 3.98Å; F44-M57 HydrophobicContact CE2-SD 4.39Å; F44-M57 HydrophobicContact CZ-SD 3.41Å; F44-M57 WeakPolarHBondContact CZ-SD 3.4Å; F44-L132 HydrophobicContact CB-CD2 4.11Å; F44-I134 HydrophobicContact CB-CG1 4.12Å; F44-I134 HydrophobicContact CD1-CG1 4.18Å; F44-I134 HydrophobicContact CD2-CB 3.82Å; F44-I134 HydrophobicContact CD2-CG1 3.89Å; F44-I134 HydrophobicContact CD2-CG2 4.35Å; F44-I134 HydrophobicContact CE1-CG2 4.2Å; F44-I134 HydrophobicContact CE2-CB 3.78Å; F44-I134 HydrophobicContact CE2-CG1 4.28Å; F44-I134 HydrophobicContact CE2-CG2 3.88Å; F44-I134 HydrophobicContact CG-CB 4.25Å; F44-I134 HydrophobicContact CG-CG1 3.83Å; F44-I134 HydrophobicContact CZ-CB 4.18Å; F44-I134 HydrophobicContact CZ-CG2 3.79Å; F44-Y136 AromaticContact CE2-CD1 3.71Å; F44-Y136 HydrophobicContact CE2-CD1 3.71Å; F44-Y136 HydrophobicContact CE2-CE1 4.36Å; F44-Y136 HydrophobicContact CE2-CG 4.18Å; F44-Y136 HydrophobicContact CZ-CD1 4.36Å; F44-Y136 HydrophobicContact CZ-CG 4.42Å; F44-M152 HydrophobicContact CB-CE 4.45Å; F44-M152 HydrophobicContact CD1-CE 4.45Å; F44-V154 HydrophobicContact CD1-CG2 4.04Å; F44-V154 HydrophobicContact CE1-CB 4.43Å; F44-V154 HydrophobicContact CE1-CG1 3.67Å; F44-V154 HydrophobicContact CE1-CG2 3.85Å; F44-V154 HydrophobicContact CZ-CG1 4.02Å
45R97.3Very high92Very high70 Ų7033.5 Ų33.526%0.26417%0.168SC..Hα-helixtrans-65.4-43.2-175.7-64.9171.7169173.1-6.6112.2F41 Q42 I43 A49 T128 C129 P130 L132F41-R45 WeakPolarHBondContact O-CG 3.25Å; F41-R45 PolarHBondContact O-N 2.99Å; Q42-R45 PolarHBondContact O-N 2.98Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 2.84Å; R45-A49 WeakPolarHBondContact O-CB 3.17Å; R45-A49 PolarHBondContact O-N 2.86Å; R45-A49 VanDerWaalsContact O-N 3.13Å; R45-T128 WeakPolarHBondContact CB-OG1 3.44Å; R45-C129 VanDerWaalsContact CG-O 3.24Å; R45-C129 WeakPolarHBondContact CG-O 3.48Å; R45-C129 PolarHBondContact O-N 3.14Å; R45-C129 VanDerWaalsContact O-N 3.1Å; R45-P130 PolarHBondContact NE-O 3.04Å; R45-P130 PolarHBondContact NH2-O 2.96Å; R45-L132 HydrophobicContact CG-CB 4.13Å; R45-L132 PolarHBondContact NE-O 3.2Å
46I98Very high93.7Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-76.3-40.3-179.3-65.6171.1000111.1E7 I10 Q11 L14 Q42 I43 A48 A49 N50 Y126 S127E7-I46 VanDerWaalsContact CA-CD1 3.41Å; E7-I46 HydrophobicContact CB-CD1 3.63Å; E7-I46 HydrophobicContact CG-CD1 3.76Å; I10-I46 HydrophobicContact CB-CD1 3.96Å; I10-I46 HydrophobicContact CB-CG2 4.48Å; I10-I46 HydrophobicContact CD1-CD1 4.23Å; I10-I46 HydrophobicContact CG2-CB 3.84Å; I10-I46 HydrophobicContact CG2-CD1 4.03Å; I10-I46 HydrophobicContact CG2-CG2 3.7Å; Q11-I46 HydrophobicContact CB-CG2 4.42Å; L14-I46 HydrophobicContact CD1-CG2 3.93Å; Q42-I46 WeakPolarHBondContact O-CB 3.46Å; Q42-I46 WeakPolarHBondContact O-CG1 3.18Å; Q42-I46 PolarHBondContact O-N 3.4Å; I43-I46 PolarHBondContact O-N 2.82Å; I46-A48 VanDerWaalsContact C-N 3.35Å; I46-A49 PolarHBondContact O-N 3.48Å; I46-N50 WeakPolarHBondContact O-CB 3.36Å; I46-N50 PolarHBondContact O-N 3.38Å; I46-N50 PolarHBondContact O-ND2 2.95Å; I46-Y126 HydrophobicContact CD1-CD2 4.35Å; I46-Y126 HydrophobicContact CG1-CD2 4.47Å; I46-S127 WeakPolarHBondContact CA-O 3.47Å; I46-S127 WeakPolarHBondContact CG1-O 3.22Å
47A98.2Very high95Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-61.5-44.6175.500000111.3I43 N50 R51 V52 I55 M152I43-A47 WeakPolarHBondContact O-CB 3.39Å; I43-A47 PolarHBondContact O-N 2.84Å; A47-N50 CarbonylContact O-C 3.46Å; A47-N50 PolarHBondContact O-N 3Å; A47-R51 PolarHBondContact O-N 2.97Å; A47-R51 VanDerWaalsContact O-N 3.12Å; A47-V52 HydrophobicContact CB-CB 3.92Å; A47-V52 HydrophobicContact CB-CG1 4.42Å; A47-V52 HydrophobicContact CB-CG2 3.85Å; A47-V52 WeakPolarHBondContact O-CB 3.02Å; A47-V52 WeakPolarHBondContact O-CG2 3.33Å; A47-V52 PolarHBondContact O-N 2.88Å; A47-I55 HydrophobicContact CB-CD1 3.69Å; A47-M152 HydrophobicContact CB-SD 4.3Å
48A98Very high96.1Very high2 Ų227.6 Ų27.62%0.01713%0.131CC..Hα-helixtrans-57-53.2173.500000111F44 I46 N50 R51 C129 L132 I146 V149 M152F44-A48 WeakPolarHBondContact O-CB 3.41Å; F44-A48 PolarHBondContact O-N 3.35Å; I46-A48 VanDerWaalsContact C-N 3.35Å; A48-N50 PolarHBondContact O-N 3.23Å; A48-R51 WeakPolarHBondContact O-CA 3.25Å; A48-R51 PolarHBondContact O-N 3.07Å; A48-C129 HydrophobicContact CB-CB 4.39Å; A48-L132 HydrophobicContact CB-CD2 3.67Å; A48-I146 HydrophobicContact CB-CD1 3.9Å; A48-I146 HydrophobicContact CB-CG1 4.43Å; A48-V149 WeakPolarHBondContact O-CG1 3.24Å; A48-M152 HydrophobicContact CB-CE 3.81Å; A48-M152 HydrophobicContact CB-SD 4.06Å
49A97.9Very high96.5Very high20 Ų2022.6 Ų22.617%0.16511%0.107CC..Hα-helixtrans-59.9-30.818000000113.3R45 I46 R51 S127R45-A49 WeakPolarHBondContact O-CB 3.17Å; R45-A49 PolarHBondContact O-N 2.86Å; R45-A49 VanDerWaalsContact O-N 3.13Å; I46-A49 PolarHBondContact O-N 3.48Å; A49-R51 VanDerWaalsContact C-N 3.27Å; A49-R51 PolarHBondContact O-N 3.02Å; A49-S127 VanDerWaalsContact CB-C 3.41Å; A49-S127 WeakPolarHBondContact CB-O 3.2Å
50N98Very high96.4Very high17 Ų1725.3 Ų25.39%0.09113%0.126CC..THydrogen-bonded Turntrans-86.69173.9-78-89.9000113.9Q11 L14 K22 I46 A47 A48 V52Q11-N50 PolarHBondContact NE2-ND2 2.94Å; Q11-N50 PolarHBondContact NE2-OD1 2.91Å; Q11-N50 PolarHBondContact OE1-ND2 2.79Å; L14-N50 HydrophobicContact CD1-CB 3.79Å; K22-N50 HydrophobicContact CD-CB 4.24Å; K22-N50 PolarHBondContact NZ-OD1 3.35Å; I46-N50 WeakPolarHBondContact O-CB 3.36Å; I46-N50 PolarHBondContact O-N 3.38Å; I46-N50 PolarHBondContact O-ND2 2.95Å; A47-N50 CarbonylContact O-C 3.46Å; A47-N50 PolarHBondContact O-N 3Å; A48-N50 PolarHBondContact O-N 3.23Å; N50-V52 VanDerWaalsContact C-N 3.31Å; N50-V52 PolarHBondContact O-N 3.46Å
51R97.9Very high96.3Very high118 Ų11825.3 Ų25.345%0.44513%0.127SC..THydrogen-bonded Turntrans62.329.9175.8-54.6178.8170174.7-5.4114.4K23 G24 A47 A48 A49 G53 S148 V149K23-R51 CarbonylContact C-O 3.55Å; K23-R51 VanDerWaalsContact CA-O 3.3Å; K23-R51 WeakPolarHBondContact CA-O 3.35Å; K23-R51 HydrophobicContact CB-CB 4.32Å; K23-R51 HydrophobicContact CG-CB 4.05Å; G24-R51 PolarHBondContact N-O 3.01Å; A47-R51 PolarHBondContact O-N 2.97Å; A47-R51 VanDerWaalsContact O-N 3.12Å; A48-R51 WeakPolarHBondContact O-CA 3.25Å; A48-R51 PolarHBondContact O-N 3.07Å; A49-R51 VanDerWaalsContact C-N 3.27Å; A49-R51 PolarHBondContact O-N 3.02Å; R51-G53 PolarHBondContact O-N 3.36Å; R51-S148 PolarHBondContact NH2-O 3.32Å; R51-V149 HydrophobicContact CG-CG1 3.93Å; R51-V149 PolarHBondContact NE-O 2.84Å
52V98.4Very high96.1Very high1 Ų126.5 Ų26.51%0.00614%0.135CC..  trans-57.8130.2166.51750000108.1L14 T25 L27 A47 N50 I55 M152L14-V52 HydrophobicContact CD2-CG2 4.42Å; T25-V52 WeakPolarHBondContact O-CG1 3.38Å; L27-V52 HydrophobicContact CB-CG1 4.49Å; L27-V52 HydrophobicContact CD1-CG1 4.13Å; L27-V52 HydrophobicContact CD1-CG2 4.03Å; L27-V52 HydrophobicContact CG-CG1 4.24Å; A47-V52 HydrophobicContact CB-CB 3.92Å; A47-V52 HydrophobicContact CB-CG1 4.42Å; A47-V52 HydrophobicContact CB-CG2 3.85Å; A47-V52 WeakPolarHBondContact O-CB 3.02Å; A47-V52 WeakPolarHBondContact O-CG2 3.33Å; A47-V52 PolarHBondContact O-N 2.88Å; N50-V52 VanDerWaalsContact C-N 3.31Å; N50-V52 PolarHBondContact O-N 3.46Å; V52-I55 HydrophobicContact CG1-CG1 4.23Å; V52-M152 WeakPolarHBondContact O-CG 3.39Å
53G98Very high96.1Very high18 Ų1825.2 Ų25.219%0.18613%0.129CC..  trans-83.8-33.4-172.600000113T25 R51 T153T25-G53 PolarHBondContact O-N 3.07Å; R51-G53 PolarHBondContact O-N 3.36Å; G53-T153 PolarHBondContact O-N 2.83Å
54H98.6Very high95.8Very high37 Ų3729.3 Ų29.317%0.17115%0.154CC..EExtended strand (participates in β ladder)trans-146.1130-174.4-156.7161.9000111.4T25 T26 L27 T153 E155T25-H54 PolarHBondContact O-N 3.36Å; T26-H54 CarbonylContact C-O 3.55Å; T26-H54 VanDerWaalsContact CA-O 3.28Å; T26-H54 WeakPolarHBondContact CA-O 3.4Å; T26-H54 HydrophobicContact CG2-CB 4.08Å; L27-H54 PolarHBondContact N-O 3.34Å; H54-T153 CarbonylContact C-O 3.57Å; H54-T153 VanDerWaalsContact CA-O 3.26Å; H54-T153 WeakPolarHBondContact CA-O 3.44Å; H54-T153 PolarHBondContact CD2-O 3.38Å; H54-T153 VanDerWaalsContact CD2-O 3.28Å; H54-E155 IonicContact CE1-OE2 2.74Å; H54-E155 PolarHBondContact CE1-OE2 3.01Å; H54-E155 VanDerWaalsContact CE1-OE2 3.3Å; H54-E155 VanDerWaalsContact NE2-CB 3.28Å; H54-E155 WeakPolarHBondContact NE2-CB 2.96Å; H54-E155 IonicContact NE2-OE2 2.84Å; H54-E155 PolarHBondContact NE2-OE2 3.02Å
55I98.4Very high95.6Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-111129.4165.3-70.2170.8000109.4L27 V29 I43 F44 A47 V52 M152 T153 V154 E155L27-I55 CarbonylContact O-C 3.51Å; L27-I55 WeakPolarHBondContact O-CA 3.24Å; V29-I55 HydrophobicContact CB-CG2 4.14Å; V29-I55 HydrophobicContact CG2-CG2 3.7Å; I43-I55 HydrophobicContact CG2-CD1 4.45Å; F44-I55 HydrophobicContact CD1-CD1 3.64Å; F44-I55 HydrophobicContact CD1-CG2 4.41Å; F44-I55 HydrophobicContact CE1-CB 4.36Å; F44-I55 HydrophobicContact CE1-CD1 4.14Å; F44-I55 HydrophobicContact CE1-CG2 3.82Å; A47-I55 HydrophobicContact CB-CD1 3.69Å; V52-I55 HydrophobicContact CG1-CG1 4.23Å; I55-M152 HydrophobicContact CD1-CE 4.3Å; I55-M152 HydrophobicContact CD1-SD 3.75Å; I55-M152 HydrophobicContact CG1-SD 4.27Å; I55-T153 PolarHBondContact N-O 2.92Å; I55-V154 HydrophobicContact CB-CG2 4.44Å; I55-V154 CarbonylContact O-C 3.5Å; I55-V154 WeakPolarHBondContact O-CA 3.38Å; I55-E155 PolarHBondContact O-N 3.37Å
56K98.3Very high95.5Very high17 Ų1732.4 Ų32.47%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-113.3131.3173.5-73.2176.1168.4-94.60110T26 L27 V28 V29 F75 E155 F157T26-K56 HydrophobicContact CG2-CD 4.07Å; T26-K56 HydrophobicContact CG2-CG 4.45Å; L27-K56 PolarHBondContact O-N 2.97Å; V28-K56 CarbonylContact C-O 3.49Å; V28-K56 VanDerWaalsContact CA-O 3.26Å; V28-K56 WeakPolarHBondContact CA-O 3.11Å; V28-K56 HydrophobicContact CG2-CB 4.43Å; V29-K56 PolarHBondContact N-O 2.92Å; K56-F75 HydrophobicContact CD-CB 3.76Å; K56-F75 HydrophobicContact CD-CD1 4.13Å; K56-F75 HydrophobicContact CD-CD2 3.54Å; K56-F75 HydrophobicContact CD-CE2 4.11Å; K56-F75 HydrophobicContact CD-CG 3.54Å; K56-F75 VanDerWaalsContact NZ-CD1 3.33Å; K56-E155 WeakPolarHBondContact CA-O 3.33Å; K56-E155 VanDerWaalsContact CE-OE2 3.26Å; K56-E155 WeakPolarHBondContact CE-OE2 3.29Å; K56-E155 HydrophobicContact CG-CB 4.14Å; K56-E155 IonicContact NZ-OE1 2.62Å; K56-E155 PolarHBondContact NZ-OE1 3.04Å; K56-E155 IonicContact NZ-OE2 2.8Å; K56-E155 PolarHBondContact NZ-OE2 2.83Å; K56-F157 HydrophobicContact CB-CD1 4.33Å; K56-F157 HydrophobicContact CB-CE1 4.06Å
57M96.6Very high95.3Very high0 Ų032.6 Ų32.60%018%0.184CC..EExtended strand (participates in β ladder)trans-154.7167.3177.164-175.1-64.200112.9V29 V40 F44 Y136 E155 I156 F157V29-M57 HydrophobicContact CB-CB 4.34Å; V29-M57 WeakPolarHBondContact O-CB 3.49Å; V40-M57 HydrophobicContact CG1-CE 4.05Å; F44-M57 HydrophobicContact CE1-SD 3.98Å; F44-M57 HydrophobicContact CE2-SD 4.39Å; F44-M57 HydrophobicContact CZ-SD 3.41Å; F44-M57 WeakPolarHBondContact CZ-SD 3.4Å; M57-Y136 HydrophobicContact CE-CD2 3.81Å; M57-Y136 HydrophobicContact CE-CG 4.17Å; M57-Y136 HydrophobicContact SD-CG 4.44Å; M57-E155 PolarHBondContact N-O 2.9Å; M57-I156 HydrophobicContact CG-CD1 3.33Å; M57-I156 CarbonylContact O-C 3.43Å; M57-I156 VanDerWaalsContact O-CA 3.25Å; M57-I156 WeakPolarHBondContact O-CA 3.4Å; M57-I156 HydrophobicContact SD-CD1 3.9Å; M57-F157 WeakPolarHBondContact O-CD1 3.45Å; M57-F157 PolarHBondContact O-N 3.28Å
58R95.2Very high95.2Very high59 Ų5932.6 Ų32.622%0.22318%0.184CC..EExtended strand (participates in β ladder)trans-82154.9166.1179.6162.6166.9-91.4-2.3110.7S60 G61 L62 M63 S159R58-S60 PolarHBondContact O-N 3.38Å; R58-G61 WeakPolarHBondContact O-CA 3.26Å; R58-G61 PolarHBondContact O-N 3.23Å; R58-L62 VanDerWaalsContact CD-O 3.32Å; R58-L62 WeakPolarHBondContact CD-O 3.21Å; R58-L62 PolarHBondContact NH1-O 3.47Å; R58-M63 HydrophobicContact CB-CG 3.44Å; R58-M63 VanDerWaalsContact CB-CG 3.44Å; R58-M63 HydrophobicContact CB-SD 3.92Å; R58-M63 PolarHBondContact N-SD 3.16Å; R58-M63 VanDerWaalsContact N-SD 3.38Å; R58-S159 WeakPolarHBondContact CD-OG 3.29Å
59A91.9Very high95.2Very high21 Ų2134.2 Ų34.217%0.17420%0.195CC..EExtended strand (participates in β ladder)trans-48.3135169.300000111.6G61 Y136 I156A59-G61 PolarHBondContact O-N 2.87Å; A59-G61 VanDerWaalsContact O-N 3.1Å; A59-Y136 CarbonylContact C-O 3.56Å; A59-Y136 VanDerWaalsContact CA-O 3.26Å; A59-Y136 WeakPolarHBondContact CA-O 3.38Å; A59-I156 HydrophobicContact CB-CG2 3.97Å; A59-I156 VanDerWaalsContact N-CG2 3.31Å
60S88.2Confident95.2Very high62 Ų6234.1 Ų34.143%0.43419%0.192SC..EExtended strand (participates in β ladder)trans60.910.3-175.5-49.40000115.2L36 R58 L62 Y136L36-S60 WeakPolarHBondContact CD1-O 3.06Å; R58-S60 PolarHBondContact O-N 3.38Å; S60-L62 PolarHBondContact O-N 2.88Å; S60-Y136 PolarHBondContact N-O 2.86Å
61G90.7Very high95.2Very high1 Ų133.3 Ų33.31%0.0119%0.187CC..EExtended strand (participates in β ladder)trans72.42.9176.700000115.8G30 G31 R58 A59 M63G30-G61 CarbonylContact C-O 3.56Å; G30-G61 VanDerWaalsContact CA-O 3.24Å; G30-G61 WeakPolarHBondContact CA-O 3.46Å; G31-G61 PolarHBondContact N-O 3.37Å; R58-G61 WeakPolarHBondContact O-CA 3.26Å; R58-G61 PolarHBondContact O-N 3.23Å; A59-G61 PolarHBondContact O-N 2.87Å; A59-G61 VanDerWaalsContact O-N 3.1Å; G61-M63 PolarHBondContact O-N 3.46Å
62L90.8Very high95.2Very high78 Ų7827.7 Ų27.741%0.40817%0.166SC..EExtended strand (participates in β ladder)trans-79.6108.4-178.7-179.473.9000110.5G31 D32 R58 S60G31-L62 WeakPolarHBondContact O-CA 3.07Å; D32-L62 VanDerWaalsContact C-CD1 3.48Å; D32-L62 WeakPolarHBondContact O-CD1 3.24Å; R58-L62 VanDerWaalsContact CD-O 3.32Å; R58-L62 WeakPolarHBondContact CD-O 3.21Å; R58-L62 PolarHBondContact NH1-O 3.47Å; S60-L62 PolarHBondContact O-N 2.88Å
63M93.2Very high95.2Very high6 Ų635.4 Ų35.43%0.0320%0.195CC..  trans-144.7132.9177.1-67.3-177.264.900110.7V28 G31 R58 G61 M68 A71 F157V28-M63 HydrophobicContact CG1-CE 4.16Å; V28-M63 HydrophobicContact CG1-SD 4.4Å; G31-M63 CarbonylContact C-O 3.56Å; G31-M63 PolarHBondContact O-N 2.9Å; R58-M63 HydrophobicContact CB-CG 3.44Å; R58-M63 VanDerWaalsContact CB-CG 3.44Å; R58-M63 HydrophobicContact CB-SD 3.92Å; R58-M63 PolarHBondContact N-SD 3.16Å; R58-M63 VanDerWaalsContact N-SD 3.38Å; G61-M63 PolarHBondContact O-N 3.46Å; M63-M68 HydrophobicContact CB-CG 3.66Å; M63-M68 HydrophobicContact CB-SD 4.18Å; M63-M68 HydrophobicContact CE-CG 3.83Å; M63-M68 VanDerWaalsContact O-CE 3.27Å; M63-M68 WeakPolarHBondContact O-CE 3.31Å; M63-M68 HydrophobicContact SD-CG 4.24Å; M63-A71 HydrophobicContact CE-CB 4.14Å; M63-F157 HydrophobicContact CE-CE1 4.44Å; M63-F157 HydrophobicContact CE-CE2 4.48Å; M63-F157 HydrophobicContact CE-CZ 3.68Å; M63-F157 HydrophobicContact SD-CZ 4.25Å
64T91.8Very high95.1Very high87 Ų8738 Ų3853%0.53420%0.203SC..  trans-72.5152.6174.965.90000111.1P66 A67 M68T64-P66 VanDerWaalsContact C-N 3.34Å; T64-A67 PolarHBondContact O-N 3.19Å; T64-A67 WeakPolarHBondContact OG1-CB 3.41Å; T64-A67 PolarHBondContact OG1-N 2.8Å; T64-M68 PolarHBondContact O-N 3.36Å
65T92.2Very high95Very high70 Ų7039.2 Ų39.243%0.42921%0.207SC..Hα-helixtrans-54.1-41.9177.5-530000113.4M68 S69T65-M68 PolarHBondContact O-N 3.04Å; T65-S69 WeakPolarHBondContact O-CB 3.49Å; T65-S69 PolarHBondContact O-N 3.47Å
66P94.5Very high95Very high67 Ų6748 Ų4844%0.43525%0.245SC..Hα-helixtrans-62.4-40.3173-24.836.4000113.6T64 S69 L70 Y163T64-P66 VanDerWaalsContact C-N 3.34Å; P66-S69 PolarHBondContact O-N 2.92Å; P66-L70 WeakPolarHBondContact O-CB 3.35Å; P66-L70 PolarHBondContact O-N 2.83Å; P66-Y163 HydrophobicContact CB-CE2 3.68Å
67A95.6Very high95Very high3 Ų347.2 Ų47.23%0.02524%0.242CC..Hα-helixtrans-66.7-39177.200000112T64 L70 A71 Y163T64-A67 PolarHBondContact O-N 3.19Å; T64-A67 WeakPolarHBondContact OG1-CB 3.41Å; T64-A67 PolarHBondContact OG1-N 2.8Å; A67-L70 PolarHBondContact O-N 3.35Å; A67-A71 WeakPolarHBondContact O-CB 3.25Å; A67-A71 PolarHBondContact O-N 2.92Å; A67-Y163 HydrophobicContact CB-CD2 3.97Å; A67-Y163 HydrophobicContact CB-CG 4.32Å
68M95.5Very high95.1Very high1 Ų150.3 Ų50.31%0.00526%0.259CS..Hα-helixtrans-64.1-44.6172.9-71.9-178.2-72.900111.8V28 G30 M63 T64 T65 L70 A71 I72 I82V28-M68 HydrophobicContact CG1-CG 4.32Å; G30-M68 VanDerWaalsContact C-SD 3.52Å; M63-M68 HydrophobicContact CB-CG 3.66Å; M63-M68 HydrophobicContact CB-SD 4.18Å; M63-M68 HydrophobicContact CE-CG 3.83Å; M63-M68 VanDerWaalsContact O-CE 3.27Å; M63-M68 WeakPolarHBondContact O-CE 3.31Å; M63-M68 HydrophobicContact SD-CG 4.24Å; T64-M68 PolarHBondContact O-N 3.36Å; T65-M68 PolarHBondContact O-N 3.04Å; M68-L70 VanDerWaalsContact C-N 3.3Å; M68-L70 PolarHBondContact O-N 3.49Å; M68-A71 PolarHBondContact O-N 3.45Å; M68-I72 WeakPolarHBondContact O-CD1 3.36Å; M68-I72 VanDerWaalsContact O-CG1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.43Å; M68-I72 PolarHBondContact O-N 3.06Å; M68-I82 HydrophobicContact CE-CB 4.18Å; M68-I82 HydrophobicContact CE-CD1 4.12Å; M68-I82 HydrophobicContact CE-CG1 3.97Å; M68-I82 HydrophobicContact CE-CG2 3.35Å; M68-I82 HydrophobicContact SD-CB 4.26Å; M68-I82 HydrophobicContact SD-CD1 4.34Å; M68-I82 HydrophobicContact SD-CG1 3.76Å; M68-I82 HydrophobicContact SD-CG2 4Å
69S97.1Very high95.2Very high35 Ų3547.5 Ų47.525%0.24525%0.248CC..Hα-helixtrans-57.1-44.2175.6-171.10000112T65 P66 R73 G105T65-S69 WeakPolarHBondContact O-CB 3.49Å; T65-S69 PolarHBondContact O-N 3.47Å; P66-S69 PolarHBondContact O-N 2.92Å; S69-R73 WeakPolarHBondContact O-CG 3.38Å; S69-R73 PolarHBondContact O-N 3.43Å; S69-G105 WeakPolarHBondContact CA-O 3.49Å; S69-G105 WeakPolarHBondContact CB-O 3.35Å; S69-G105 PolarHBondContact OG-O 3.49Å
70L97.7Very high95.5Very high19 Ų1946.5 Ų46.510%0.09924%0.24CC..Hα-helixtrans-61.7-50.3174.6178.363.7000111.7P66 A67 M68 I72 R73 E74 Q162 Y163 R166P66-L70 WeakPolarHBondContact O-CB 3.35Å; P66-L70 PolarHBondContact O-N 2.83Å; A67-L70 PolarHBondContact O-N 3.35Å; M68-L70 VanDerWaalsContact C-N 3.3Å; M68-L70 PolarHBondContact O-N 3.49Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 2.84Å; L70-R73 PolarHBondContact O-N 3.16Å; L70-R73 VanDerWaalsContact O-N 3.07Å; L70-E74 HydrophobicContact CD1-CG 3.8Å; L70-E74 HydrophobicContact CG-CG 4.22Å; L70-E74 PolarHBondContact O-N 3.13Å; L70-Q162 HydrophobicContact CD2-CG 4.09Å; L70-Y163 HydrophobicContact CB-CD2 4.48Å; L70-Y163 HydrophobicContact CD2-CD2 3.83Å; L70-Y163 HydrophobicContact CD2-CG 4.49Å; L70-R166 HydrophobicContact CD1-CB 4.23Å; L70-R166 HydrophobicContact CD1-CG 3.7Å; L70-R166 HydrophobicContact CD2-CB 3.55Å; L70-R166 HydrophobicContact CD2-CG 3.87Å; L70-R166 HydrophobicContact CG-CG 4.45Å
71A97.9Very high95.9Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-58-42.9-178.700000112V28 M63 A67 M68 R73 E74 F75 F157V28-A71 HydrophobicContact CG1-CB 4.12Å; V28-A71 HydrophobicContact CG2-CB 4.04Å; M63-A71 HydrophobicContact CE-CB 4.14Å; A67-A71 WeakPolarHBondContact O-CB 3.25Å; A67-A71 PolarHBondContact O-N 2.92Å; M68-A71 PolarHBondContact O-N 3.45Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 3.24Å; A71-E74 PolarHBondContact O-N 3.49Å; A71-F75 HydrophobicContact CB-CD2 4.01Å; A71-F75 HydrophobicContact CB-CE2 4.04Å; A71-F75 WeakPolarHBondContact O-CB 3.4Å; A71-F75 WeakPolarHBondContact O-CD2 3.48Å; A71-F75 WeakPolarHBondContact O-CG 3.36Å; A71-F75 PolarHBondContact O-N 3.03Å; A71-F157 HydrophobicContact CB-CZ 3.92Å
72I98.3Very high96Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-56.3-46.9176-64.9158.1000110.3V28 M68 L70 K76 A77 A80 N101V28-I72 HydrophobicContact CB-CG1 4.08Å; V28-I72 HydrophobicContact CG2-CG1 3.94Å; M68-I72 WeakPolarHBondContact O-CD1 3.36Å; M68-I72 VanDerWaalsContact O-CG1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.43Å; M68-I72 PolarHBondContact O-N 3.06Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 2.84Å; I72-K76 CarbonylContact O-C 3.54Å; I72-K76 WeakPolarHBondContact O-CA 3.37Å; I72-K76 PolarHBondContact O-N 3.42Å; I72-A77 HydrophobicContact CB-CB 4.5Å; I72-A77 HydrophobicContact CG2-CB 4.28Å; I72-A77 PolarHBondContact O-N 3.47Å; I72-A80 HydrophobicContact CD1-CB 3.46Å; I72-A80 VanDerWaalsContact CD1-CB 3.46Å; I72-A80 HydrophobicContact CG1-CB 3.85Å; I72-N101 HydrophobicContact CD1-CB 3.94Å
73R98Very high96.1Very high162 Ų16240 Ų4061%0.61120%0.201SC*.Hα-helixtrans-72.3-41.7-175.8-65.1169.173.594.3-2.5112.4S69 L70 A71 N104S69-R73 WeakPolarHBondContact O-CG 3.38Å; S69-R73 PolarHBondContact O-N 3.43Å; L70-R73 PolarHBondContact O-N 3.16Å; L70-R73 VanDerWaalsContact O-N 3.07Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 3.24Å; R73-N104 PolarHBondContact NH1-O 3.48Å
74E96.8Very high95.8Very high74 Ų7440.2 Ų40.235%0.34620%0.202SC..Hα-helixtrans-71.4-41.3-179.4-72-164161.300112.5L70 A71 K76 Q162L70-E74 HydrophobicContact CD1-CG 3.8Å; L70-E74 HydrophobicContact CG-CG 4.22Å; L70-E74 PolarHBondContact O-N 3.13Å; A71-E74 PolarHBondContact O-N 3.49Å; E74-K76 VanDerWaalsContact C-N 3.27Å; E74-K76 PolarHBondContact O-N 2.93Å; E74-Q162 VanDerWaalsContact OE2-CG 3.24Å; E74-Q162 WeakPolarHBondContact OE2-CG 3.42Å; E74-Q162 PolarHBondContact OE2-NE2 2.93Å
75F97.4Very high95.3Very high61 Ų6136.7 Ų36.727%0.26818%0.182SC..Hα-helixtrans-84.4-1.7178.2-59.3-52.4000113.6K56 A71 A77 F157 Q162K56-F75 HydrophobicContact CD-CB 3.76Å; K56-F75 HydrophobicContact CD-CD1 4.13Å; K56-F75 HydrophobicContact CD-CD2 3.54Å; K56-F75 HydrophobicContact CD-CE2 4.11Å; K56-F75 HydrophobicContact CD-CG 3.54Å; K56-F75 VanDerWaalsContact NZ-CD1 3.33Å; A71-F75 HydrophobicContact CB-CD2 4.01Å; A71-F75 HydrophobicContact CB-CE2 4.04Å; A71-F75 WeakPolarHBondContact O-CB 3.4Å; A71-F75 WeakPolarHBondContact O-CD2 3.48Å; A71-F75 WeakPolarHBondContact O-CG 3.36Å; A71-F75 PolarHBondContact O-N 3.03Å; F75-A77 PolarHBondContact O-N 3.19Å; F75-F157 HydrophobicContact CE2-CD1 4.26Å; F75-F157 HydrophobicContact CE2-CD2 4.17Å; F75-F157 AromaticContact CE2-CE1 3.94Å; F75-F157 HydrophobicContact CE2-CE1 3.94Å; F75-F157 AromaticContact CE2-CE2 3.85Å; F75-F157 HydrophobicContact CE2-CE2 3.85Å; F75-F157 HydrophobicContact CE2-CG 4.38Å; F75-F157 AromaticContact CE2-CZ 3.72Å; F75-F157 HydrophobicContact CE2-CZ 3.72Å; F75-F157 HydrophobicContact CZ-CD2 4.11Å; F75-F157 HydrophobicContact CZ-CE2 4.19Å; F75-F157 HydrophobicContact CZ-CG 4.3Å; F75-F157 HydrophobicContact CZ-CZ 4.46Å; F75-Q162 VanDerWaalsContact CE2-NE2 3.34Å
76K97.9Very high94.6Very high184 Ų18437 Ų3780%0.819%0.187SC*.THydrogen-bonded Turntrans51.442.1-173.4-55.6178.1-179.2177.20111.5I72 E74I72-K76 CarbonylContact O-C 3.54Å; I72-K76 WeakPolarHBondContact O-CA 3.37Å; I72-K76 PolarHBondContact O-N 3.42Å; E74-K76 VanDerWaalsContact C-N 3.27Å; E74-K76 PolarHBondContact O-N 2.93Å
77A98.4Very high93.6Very high2 Ų242.9 Ų42.92%0.01721%0.209CC..  trans-68.5154.1178.200000110.7T26 V28 I72 F75 G79 S103T26-A77 HydrophobicContact CG2-CB 3.96Å; T26-A77 WeakPolarHBondContact O-CB 3.28Å; V28-A77 HydrophobicContact CG2-CB 3.99Å; I72-A77 HydrophobicContact CB-CB 4.5Å; I72-A77 HydrophobicContact CG2-CB 4.28Å; I72-A77 PolarHBondContact O-N 3.47Å; F75-A77 PolarHBondContact O-N 3.19Å; A77-G79 VanDerWaalsContact C-N 3.3Å; A77-S103 WeakPolarHBondContact O-CA 3.35Å; A77-S103 WeakPolarHBondContact O-CB 3.39Å
78D98.4Very high92.3Very high65 Ų6544.6 Ų44.635%0.34822%0.221SC..SBendtrans-78.6-17.9-179-61.2-78.6000112.5L18 T25 T26 S103L18-D78 HydrophobicContact CD2-CB 3.86Å; T25-D78 VanDerWaalsContact CA-OD2 3.23Å; T25-D78 WeakPolarHBondContact CA-OD2 3.45Å; T25-D78 VanDerWaalsContact CB-OD2 3.28Å; T25-D78 WeakPolarHBondContact CB-OD2 3.26Å; T25-D78 HydrophobicContact CG2-CB 3.91Å; T26-D78 PolarHBondContact N-OD2 2.92Å; T26-D78 PolarHBondContact O-N 3.29Å; D78-S103 PolarHBondContact O-N 3.34Å
79G97.8Very high90.6Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans173.5-167.8175.500000112.6V28 A77 N101V28-G79 PolarHBondContact N-O 3.1Å; A77-G79 VanDerWaalsContact C-N 3.3Å; G79-N101 CarbonylContact C-O 3.5Å; G79-N101 WeakPolarHBondContact CA-O 3.24Å
80A97.8Very high88.9Confident0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-147.3146.6172.900000113.2V28 I72 I82 F100 N101V28-A80 HydrophobicContact CB-CB 3.9Å; V28-A80 CarbonylContact O-C 3.53Å; V28-A80 WeakPolarHBondContact O-CA 3.45Å; V28-A80 WeakPolarHBondContact O-CB 3.38Å; I72-A80 HydrophobicContact CD1-CB 3.46Å; I72-A80 VanDerWaalsContact CD1-CB 3.46Å; I72-A80 HydrophobicContact CG1-CB 3.85Å; A80-I82 HydrophobicContact CB-CG1 4.32Å; A80-F100 VanDerWaalsContact O-CA 3.28Å; A80-F100 WeakPolarHBondContact O-CA 3.5Å; A80-F100 VanDerWaalsContact O-CD2 3.31Å; A80-F100 WeakPolarHBondContact O-CD2 3.48Å; A80-N101 HydrophobicContact CB-CB 4.34Å; A80-N101 PolarHBondContact N-O 3.46Å; A80-N101 PolarHBondContact O-N 3.05Å
81I96.6Very high86.9Confident0 Ų052.7 Ų52.70%028%0.275CS..EExtended strand (participates in β ladder)trans-98.2122.8166-62.6171.3000107.8I10 L14 L27 V28 G30 I43 L83 I98 K99 F100I10-I81 HydrophobicContact CG2-CD1 4.26Å; L14-I81 HydrophobicContact CD2-CD1 4.29Å; L27-I81 HydrophobicContact CD1-CD1 4.37Å; V28-I81 PolarHBondContact O-N 3.13Å; G30-I81 PolarHBondContact N-O 3.33Å; I43-I81 HydrophobicContact CD1-CB 4.36Å; I43-I81 HydrophobicContact CD1-CG2 3.64Å; I43-I81 HydrophobicContact CG1-CD1 4.42Å; I43-I81 HydrophobicContact CG1-CG2 4.26Å; I43-I81 HydrophobicContact CG2-CD1 4Å; I81-L83 HydrophobicContact CG2-CD2 4.37Å; I81-I98 HydrophobicContact CG2-CG2 3.69Å; I81-K99 WeakPolarHBondContact CA-O 3.33Å; I81-F100 HydrophobicContact CG1-CD2 4Å; I81-F100 HydrophobicContact CG1-CE2 4.31Å
82I93.6Very high85Confident3 Ų362.1 Ų62.12%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-116119.5-174.8-54.7179.4000109.6G30 M68 A80 T84 K99 N101G30-I82 CarbonylContact O-C 3.54Å; G30-I82 WeakPolarHBondContact O-CA 3.45Å; M68-I82 HydrophobicContact CE-CB 4.18Å; M68-I82 HydrophobicContact CE-CD1 4.12Å; M68-I82 HydrophobicContact CE-CG1 3.97Å; M68-I82 HydrophobicContact CE-CG2 3.35Å; M68-I82 HydrophobicContact SD-CB 4.26Å; M68-I82 HydrophobicContact SD-CD1 4.34Å; M68-I82 HydrophobicContact SD-CG1 3.76Å; M68-I82 HydrophobicContact SD-CG2 4Å; A80-I82 HydrophobicContact CB-CG1 4.32Å; I82-T84 HydrophobicContact CG2-CG2 3.67Å; I82-K99 HydrophobicContact CB-CB 4.25Å; I82-K99 PolarHBondContact N-O 2.74Å; I82-K99 PolarHBondContact O-N 3.47Å; I82-N101 HydrophobicContact CD1-CB 4.16Å; I82-N101 VanDerWaalsContact CD1-CG 3.49Å; I82-N101 WeakPolarHBondContact CD1-ND2 3.26Å
83L92.4Very high83.2Confident1 Ų170 Ų701%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-93.196.5178.1-56.7-178.1000109.6G30 G31 D32 L36 V39 V40 I43 I81 F96 I98G30-L83 PolarHBondContact O-N 3.29Å; G31-L83 CarbonylContact C-O 3.58Å; G31-L83 WeakPolarHBondContact CA-O 3.21Å; D32-L83 PolarHBondContact N-O 2.85Å; L36-L83 HydrophobicContact CD2-CB 3.64Å; L36-L83 HydrophobicContact CD2-CD1 3.58Å; L36-L83 HydrophobicContact CD2-CG 4.24Å; V39-L83 HydrophobicContact CB-CD1 4.34Å; V39-L83 HydrophobicContact CG1-CD1 4.16Å; V39-L83 HydrophobicContact CG1-CD2 3.74Å; V40-L83 HydrophobicContact CG2-CD1 3.79Å; I43-L83 HydrophobicContact CD1-CD1 4.03Å; I43-L83 HydrophobicContact CD1-CD2 4Å; I43-L83 HydrophobicContact CD1-CG 4.22Å; I81-L83 HydrophobicContact CG2-CD2 4.37Å; L83-F96 HydrophobicContact CB-CE2 4.48Å; L83-F96 HydrophobicContact CB-CZ 4.47Å; L83-F96 HydrophobicContact CD2-CZ 3.9Å; L83-I98 HydrophobicContact CD2-CB 4.49Å; L83-I98 HydrophobicContact CD2-CD1 4.49Å; L83-I98 HydrophobicContact CD2-CG1 3.94Å; L83-I98 HydrophobicContact CD2-CG2 4.24Å
84T86.6Confident81.4Confident11 Ų1163.3 Ų63.37%0.06734%0.343CS..  trans-161143.5-178.8-173.70000112.3D32 I82 S86 G97 K99D32-T84 VanDerWaalsContact OD2-CA 3.29Å; D32-T84 WeakPolarHBondContact OD2-CA 3.47Å; D32-T84 VanDerWaalsContact OD2-CB 3.3Å; D32-T84 WeakPolarHBondContact OD2-CB 3.42Å; D32-T84 PolarHBondContact OD2-OG1 2.81Å; I82-T84 HydrophobicContact CG2-CG2 3.67Å; T84-S86 PolarHBondContact OG1-N 3.38Å; T84-G97 CarbonylContact C-O 3.51Å; T84-G97 PolarHBondContact N-O 3.16Å; T84-G97 CarbonylContact O-C 3.45Å; T84-G97 VanDerWaalsContact O-CA 3.32Å; T84-G97 WeakPolarHBondContact O-CA 3.38Å; T84-G97 VanDerWaalsContact O-O 3.11Å; T84-K99 HydrophobicContact CG2-CD 3.94Å
85A81Confident80.1Confident13 Ų1364.1 Ų64.111%0.10735%0.349CS..  trans-103.812.7164.900000113Q87 S88 D95A85-Q87 PolarHBondContact O-N 3.44Å; A85-S88 WeakPolarHBondContact O-CB 3.01Å; A85-S88 PolarHBondContact O-N 2.93Å; A85-D95 HydrophobicContact CB-CB 3.79Å; A85-D95 WeakPolarHBondContact CB-O 3.48Å
86S76.7Confident79.1Confident77 Ų7762.5 Ų62.554%0.53834%0.342SS..THydrogen-bonded Turntrans55.4-100.3175.9-1670000113.4T84T84-S86 PolarHBondContact OG1-N 3.38Å
87Q74.4Confident78.5Confident189 Ų18954.6 Ų54.688%0.88331%0.312SS*.THydrogen-bonded Turntrans-97.1-5.8-176.3-64.4-176.67.900112.7A85A85-Q87 PolarHBondContact O-N 3.44Å
88S68.3Low78.1Confident40 Ų4055.3 Ų55.328%0.2832%0.316SS..SBendtrans-73.3142.8179.7-69.20000111.9R34 A85 D95R34-S88 PolarHBondContact NH1-O 2.88Å; R34-S88 VanDerWaalsContact NH1-O 3.09Å; R34-S88 PolarHBondContact NH2-O 2.93Å; A85-S88 WeakPolarHBondContact O-CB 3.01Å; A85-S88 PolarHBondContact O-N 2.93Å; S88-D95 VanDerWaalsContact CB-CB 3.48Å; S88-D95 WeakPolarHBondContact CB-OD2 3.48Å; S88-D95 PolarHBondContact OG-OD2 2.85Å
89P59.7Low77.7Confident99 Ų9956.8 Ų56.864%0.64332%0.319SS*.PPolyproline II helixtrans-57.3144178.922.8-31.7000111.3R34 G94 D95R34-P89 PolarHBondContact NH1-O 2.9Å; P89-G94 VanDerWaalsContact O-CA 3.22Å; P89-G94 WeakPolarHBondContact O-CA 3.17Å; P89-D95 PolarHBondContact O-N 2.67Å; P89-D95 VanDerWaalsContact O-N 3.12Å
90D62.4Low77.6Confident92 Ų9257.3 Ų57.349%0.49232%0.322SS..PPolyproline II helixtrans-91.4169176.8-162.411.1000111.3R34R34-D90 VanDerWaalsContact CB-OD1 3.26Å; R34-D90 WeakPolarHBondContact CB-OD1 3.35Å; R34-D90 VanDerWaalsContact CB-OD2 3.26Å; R34-D90 WeakPolarHBondContact CB-OD2 3.28Å; R34-D90 IonicContact CZ-OD1 2.64Å; R34-D90 IonicContact NE-OD1 3.3Å; R34-D90 IonicContact NH1-OD1 3.8Å
91G54.7Low77.6Confident34 Ų3457.8 Ų57.835%0.35132%0.324SS..SBendtrans128.1-178.5175.100000113.5N93 G94G91-N93 PolarHBondContact O-N 2.99Å; G91-N93 VanDerWaalsContact O-N 3.14Å; G91-G94 PolarHBondContact O-N 3.17Å
92Q57.2Low77.6Confident197 Ų19758.4 Ų58.492%0.92133%0.331SS*.THydrogen-bonded Turntrans-61-25.7-177.9-146.3173.252.800112.9
93N60.2Low77.8Confident166 Ų16662.2 Ų62.289%0.88836%0.357SS*.THydrogen-bonded Turntrans-112.812.5171.7-65.5-18.7000112.6G91G91-N93 PolarHBondContact O-N 2.99Å; G91-N93 VanDerWaalsContact O-N 3.14Å
94G61.1Low78Confident22 Ų2266.6 Ų66.623%0.22738%0.381CS..SBendtrans-78.2160178.100000111.4P89 G91P89-G94 VanDerWaalsContact O-CA 3.22Å; P89-G94 WeakPolarHBondContact O-CA 3.17Å; G91-G94 PolarHBondContact O-N 3.17Å
95D69.8Low78.5Confident90 Ų9066.1 Ų66.148%0.48138%0.378SS..  trans-69.7141.7177.6-68-28.5000110R34 A85 S88 P89R34-D95 PolarHBondContact NH1-O 3.46Å; A85-D95 HydrophobicContact CB-CB 3.79Å; A85-D95 WeakPolarHBondContact CB-O 3.48Å; S88-D95 VanDerWaalsContact CB-CB 3.48Å; S88-D95 WeakPolarHBondContact CB-OD2 3.48Å; S88-D95 PolarHBondContact OG-OD2 2.85Å; P89-D95 PolarHBondContact O-N 2.67Å; P89-D95 VanDerWaalsContact O-N 3.12Å
96F76.7Confident79.2Confident28 Ų2866.3 Ų66.312%0.12338%0.382CS..  trans-123131.6169.9-177.6-103000108.9M1 R34 V39 L83 I98M1-F96 HydrophobicContact CE-CB 4.12Å; M1-F96 HydrophobicContact CE-CD1 3.47Å; M1-F96 VanDerWaalsContact CE-CD1 3.47Å; M1-F96 HydrophobicContact CE-CD2 4.47Å; M1-F96 HydrophobicContact CE-CE1 3.93Å; M1-F96 HydrophobicContact CE-CG 3.77Å; M1-F96 HydrophobicContact SD-CD1 4.18Å; M1-F96 HydrophobicContact SD-CE1 4.45Å; R34-F96 HydrophobicContact CG-CD2 4.2Å; V39-F96 HydrophobicContact CB-CE1 4.42Å; V39-F96 HydrophobicContact CB-CZ 3.91Å; V39-F96 HydrophobicContact CG1-CE1 4.13Å; V39-F96 HydrophobicContact CG1-CZ 3.85Å; V39-F96 HydrophobicContact CG2-CE1 3.7Å; V39-F96 HydrophobicContact CG2-CE2 4.35Å; V39-F96 HydrophobicContact CG2-CZ 3.46Å; V39-F96 VanDerWaalsContact CG2-CZ 3.46Å; L83-F96 HydrophobicContact CB-CE2 4.48Å; L83-F96 HydrophobicContact CB-CZ 4.47Å; L83-F96 HydrophobicContact CD2-CZ 3.9Å; F96-I98 HydrophobicContact CD1-CG1 4.32Å; F96-I98 HydrophobicContact CE1-CD1 3.94Å; F96-I98 HydrophobicContact CE1-CG1 3.6Å; F96-I98 HydrophobicContact CZ-CG1 4.24Å
97G84.4Confident80Confident17 Ų1767.6 Ų67.618%0.17539%0.388CS..  trans-130.4138.2-177.800000111.7T84T84-G97 CarbonylContact C-O 3.51Å; T84-G97 PolarHBondContact N-O 3.16Å; T84-G97 CarbonylContact O-C 3.45Å; T84-G97 VanDerWaalsContact O-CA 3.32Å; T84-G97 WeakPolarHBondContact O-CA 3.38Å; T84-G97 VanDerWaalsContact O-O 3.11Å
98I90.9Very high81.1Confident18 Ų1860.1 Ų60.19%0.09236%0.355CS..EExtended strand (participates in β ladder)trans-112.9119.2170.5-52.3-179.2000107.2A6 F9 I10 V39 I81 L83 F96A6-I98 HydrophobicContact CB-CD1 4.13Å; F9-I98 HydrophobicContact CB-CD1 4.05Å; I10-I98 HydrophobicContact CG1-CD1 4.16Å; V39-I98 HydrophobicContact CG1-CD1 4.07Å; I81-I98 HydrophobicContact CG2-CG2 3.69Å; L83-I98 HydrophobicContact CD2-CB 4.49Å; L83-I98 HydrophobicContact CD2-CD1 4.49Å; L83-I98 HydrophobicContact CD2-CG1 3.94Å; L83-I98 HydrophobicContact CD2-CG2 4.24Å; F96-I98 HydrophobicContact CD1-CG1 4.32Å; F96-I98 HydrophobicContact CE1-CD1 3.94Å; F96-I98 HydrophobicContact CE1-CG1 3.6Å; F96-I98 HydrophobicContact CZ-CG1 4.24Å
99K90Very high82.4Confident95 Ų9561.1 Ų61.141%0.41336%0.362SS..EExtended strand (participates in β ladder)trans-114.8159179-59.6178.8-177.1179.20110.7I81 I82 T84I81-K99 WeakPolarHBondContact CA-O 3.33Å; I82-K99 HydrophobicContact CB-CB 4.25Å; I82-K99 PolarHBondContact N-O 2.74Å; I82-K99 PolarHBondContact O-N 3.47Å; T84-K99 HydrophobicContact CG2-CD 3.94Å
100F95.6Very high84.1Confident12 Ų1263.6 Ų63.65%0.05337%0.368CS..EExtended strand (participates in β ladder)trans-124.9126.3174.3-167-96.1000111.7N13 L18 L27 A80 I81 V108 I116N13-F100 HydrophobicContact CB-CB 4.26Å; N13-F100 HydrophobicContact CB-CD2 4.06Å; N13-F100 HydrophobicContact CB-CG 4.38Å; N13-F100 WeakPolarHBondContact OD1-CB 3.38Å; L18-F100 HydrophobicContact CD2-CZ 3.93Å; L18-F100 HydrophobicContact CG-CZ 3.92Å; L27-F100 HydrophobicContact CD2-CE2 3.97Å; L27-F100 HydrophobicContact CD2-CZ 4.19Å; A80-F100 VanDerWaalsContact O-CA 3.28Å; A80-F100 WeakPolarHBondContact O-CA 3.5Å; A80-F100 VanDerWaalsContact O-CD2 3.31Å; A80-F100 WeakPolarHBondContact O-CD2 3.48Å; I81-F100 HydrophobicContact CG1-CD2 4Å; I81-F100 HydrophobicContact CG1-CE2 4.31Å; F100-V108 HydrophobicContact CD1-CG1 3.58Å; F100-V108 HydrophobicContact CE1-CG1 4.11Å; F100-I116 HydrophobicContact CB-CD1 4.4Å
101N97.1Very high85.8Confident10 Ų1063.3 Ų63.35%0.05337%0.374CS..EExtended strand (participates in β ladder)trans-101.8145.3171.2-83.215.9000110I72 G79 A80 I82 G105 G106 P107I72-N101 HydrophobicContact CD1-CB 3.94Å; G79-N101 CarbonylContact C-O 3.5Å; G79-N101 WeakPolarHBondContact CA-O 3.24Å; A80-N101 HydrophobicContact CB-CB 4.34Å; A80-N101 PolarHBondContact N-O 3.46Å; A80-N101 PolarHBondContact O-N 3.05Å; I82-N101 HydrophobicContact CD1-CB 4.16Å; I82-N101 VanDerWaalsContact CD1-CG 3.49Å; I82-N101 WeakPolarHBondContact CD1-ND2 3.26Å; N101-G105 PolarHBondContact ND2-O 3.44Å; N101-G106 CarbonylContact C-O 3.55Å; N101-G106 WeakPolarHBondContact CA-O 3.38Å; N101-G106 WeakPolarHBondContact CB-O 3.15Å; N101-G106 VanDerWaalsContact CG-C 3.41Å; N101-P107 WeakPolarHBondContact OD1-CA 3.35Å
102G97.1Very high87.8Confident13 Ų1363 Ų6313%0.13437%0.365CS..EExtended strand (participates in β ladder)trans-83.9175.6176.200000113N104 G105 G106G102-N104 PolarHBondContact O-N 3.3Å; G102-N104 PolarHBondContact O-OD1 2.89Å; G102-G105 PolarHBondContact O-N 3.36Å; G102-G106 PolarHBondContact N-O 2.84Å
103S97.2Very high89.6Confident82 Ų8255.9 Ų55.957%0.57334%0.34SS*.THydrogen-bonded Turntrans-59.6-15.3179.7600000115.4A77 D78 G105A77-S103 WeakPolarHBondContact O-CA 3.35Å; A77-S103 WeakPolarHBondContact O-CB 3.39Å; D78-S103 PolarHBondContact O-N 3.34Å; S103-G105 PolarHBondContact O-N 3.07Å
104N96.6Very high91.3Very high93 Ų9352.3 Ų52.350%0.49732%0.318SS..THydrogen-bonded Turntrans-74.2-7.117267.9-11.3000113.1R73 G102 G106R73-N104 PolarHBondContact NH1-O 3.48Å; G102-N104 PolarHBondContact O-N 3.3Å; G102-N104 PolarHBondContact O-OD1 2.89Å; N104-G106 VanDerWaalsContact C-N 3.31Å; N104-G106 PolarHBondContact OD1-N 2.93Å; N104-G106 PolarHBondContact OD1-O 3.38Å
105G96.5Very high93Very high1 Ų154.2 Ų54.21%0.0132%0.323CS..SBendtrans84.7-1.7-176.200000114.4S69 N101 G102 S103S69-G105 WeakPolarHBondContact CA-O 3.49Å; S69-G105 WeakPolarHBondContact CB-O 3.35Å; S69-G105 PolarHBondContact OG-O 3.49Å; N101-G105 PolarHBondContact ND2-O 3.44Å; G102-G105 PolarHBondContact O-N 3.36Å; S103-G105 PolarHBondContact O-N 3.07Å
106G96.4Very high94.3Very high18 Ų1850.5 Ų50.519%0.18630%0.303CS..SBendtrans-109.9178.6-179.800000112.6N101 G102 N104N101-G106 CarbonylContact C-O 3.55Å; N101-G106 WeakPolarHBondContact CA-O 3.38Å; N101-G106 WeakPolarHBondContact CB-O 3.15Å; N101-G106 VanDerWaalsContact CG-C 3.41Å; G102-G106 PolarHBondContact N-O 2.84Å; N104-G106 VanDerWaalsContact C-N 3.31Å; N104-G106 PolarHBondContact OD1-N 2.93Å; N104-G106 PolarHBondContact OD1-O 3.38Å
107P94.9Very high95.3Very high104 Ų10454.8 Ų54.868%0.67532%0.319SS*.BIsolated β-bridgetrans-53.2144.7170.5-2333.6000110.8N101N101-P107 WeakPolarHBondContact OD1-CA 3.35Å
108V95.9Very high95.9Very high31 Ų3157.8 Ų57.819%0.18833%0.328CS..PPolyproline II helixtrans-61.8160.5172.8-69.40000112F100 V112 A113F100-V108 HydrophobicContact CD1-CG1 3.58Å; F100-V108 HydrophobicContact CE1-CG1 4.11Å; V108-V112 HydrophobicContact CB-CB 3.87Å; V108-V112 HydrophobicContact CB-CG1 3.7Å; V108-V112 HydrophobicContact CG1-CG1 3.91Å; V108-V112 HydrophobicContact CG2-CB 4.1Å; V108-V112 HydrophobicContact CG2-CG1 3.85Å; V108-A113 HydrophobicContact CG2-CB 4.17Å
109S95.9Very high96.2Very high61 Ų6159.2 Ų59.243%0.42734%0.336SS..PPolyproline II helixtrans-59.8154.6174.963.10000111.1S111 V112 A113S109-S111 PolarHBondContact O-N 2.89Å; S109-S111 VanDerWaalsContact O-N 3.16Å; S109-S111 PolarHBondContact OG-OG 3.45Å; S109-V112 PolarHBondContact O-N 3.39Å; S109-V112 WeakPolarHBondContact OG-CG2 3.32Å; S109-V112 PolarHBondContact OG-N 3.24Å; S109-A113 PolarHBondContact O-N 2.74Å
110I95.9Very high96.5Very high152 Ų15256.2 Ų56.278%0.77933%0.326SS*.Hα-helixtrans-52-41176.2-64.6168.8000110.9V112 A113 E114I110-V112 VanDerWaalsContact C-N 3.32Å; I110-V112 PolarHBondContact O-N 2.89Å; I110-A113 PolarHBondContact O-N 3.16Å; I110-E114 WeakPolarHBondContact O-CB 3.27Å; I110-E114 PolarHBondContact O-N 3.17Å
111S96.8Very high96.6Very high86 Ų8661.1 Ų61.160%0.60135%0.347SS*.Hα-helixtrans-61.6-36.2177.355.40000113.8S109 N115S109-S111 PolarHBondContact O-N 2.89Å; S109-S111 VanDerWaalsContact O-N 3.16Å; S109-S111 PolarHBondContact OG-OG 3.45Å; S111-N115 WeakPolarHBondContact O-CB 3.48Å; S111-N115 PolarHBondContact O-N 3.22Å; S111-N115 VanDerWaalsContact O-N 3.13Å
112V96.9Very high96.6Very high27 Ų2765.2 Ų65.216%0.16437%0.372CS..Hα-helixtrans-76.6-41.1177.2172.80000110.3V108 S109 I110 E114 N115 I116V108-V112 HydrophobicContact CB-CB 3.87Å; V108-V112 HydrophobicContact CB-CG1 3.7Å; V108-V112 HydrophobicContact CG1-CG1 3.91Å; V108-V112 HydrophobicContact CG2-CB 4.1Å; V108-V112 HydrophobicContact CG2-CG1 3.85Å; S109-V112 PolarHBondContact O-N 3.39Å; S109-V112 WeakPolarHBondContact OG-CG2 3.32Å; S109-V112 PolarHBondContact OG-N 3.24Å; I110-V112 VanDerWaalsContact C-N 3.32Å; I110-V112 PolarHBondContact O-N 2.89Å; V112-E114 PolarHBondContact O-N 3.19Å; V112-N115 WeakPolarHBondContact O-CB 3.35Å; V112-N115 PolarHBondContact O-N 2.91Å; V112-I116 HydrophobicContact CG1-CD1 4.01Å; V112-I116 WeakPolarHBondContact O-CG1 3.44Å; V112-I116 PolarHBondContact O-N 3.2Å
113A95.6Very high96.6Very high48 Ų4866.5 Ų66.540%0.39738%0.376SS..Hα-helixtrans-59.8-45.3175.300000111.8V108 S109 I110 N115 I116 Y117V108-A113 HydrophobicContact CG2-CB 4.17Å; S109-A113 PolarHBondContact O-N 2.74Å; I110-A113 PolarHBondContact O-N 3.16Å; A113-N115 VanDerWaalsContact C-N 3.34Å; A113-N115 PolarHBondContact O-N 3.42Å; A113-I116 PolarHBondContact O-N 2.85Å; A113-Y117 PolarHBondContact O-N 3.41Å
114E96.7Very high96.6Very high91 Ų9168.5 Ų68.543%0.42539%0.385SS..Hα-helixtrans-63.1-41.3175.9-174.957.8-147.200111.2I110 V112 I116 Y117 Q118I110-E114 WeakPolarHBondContact O-CB 3.27Å; I110-E114 PolarHBondContact O-N 3.17Å; V112-E114 PolarHBondContact O-N 3.19Å; E114-I116 PolarHBondContact O-N 3.28Å; E114-Y117 WeakPolarHBondContact O-CB 3.18Å; E114-Y117 PolarHBondContact O-N 3.43Å; E114-Q118 WeakPolarHBondContact O-CG 3.27Å; E114-Q118 PolarHBondContact O-N 3.35Å; E114-Q118 PolarHBondContact OE1-NE2 3.19Å
115N97.1Very high96.7Very high61 Ų6170.7 Ų70.733%0.32639%0.392SS..Hα-helixtrans-61.1-44.3175.8-175.154.7000112.1G16 S111 V112 A113 Y117 Q118 L119G16-N115 WeakPolarHBondContact CA-ND2 3.34Å; S111-N115 WeakPolarHBondContact O-CB 3.48Å; S111-N115 PolarHBondContact O-N 3.22Å; S111-N115 VanDerWaalsContact O-N 3.13Å; V112-N115 WeakPolarHBondContact O-CB 3.35Å; V112-N115 PolarHBondContact O-N 2.91Å; A113-N115 VanDerWaalsContact C-N 3.34Å; A113-N115 PolarHBondContact O-N 3.42Å; N115-Y117 VanDerWaalsContact C-N 3.32Å; N115-Y117 PolarHBondContact O-N 3.28Å; N115-Q118 PolarHBondContact O-N 3.46Å; N115-L119 WeakPolarHBondContact O-CG 3.43Å; N115-L119 PolarHBondContact O-N 3.39Å
116I96.9Very high96.7Very high13 Ų1373.6 Ų73.67%0.06740%0.403CS..Hα-helixtrans-58.9-46.3174.4-67.8163.8000109.8C12 F100 V112 A113 E114 Q118 L119 T120C12-I116 HydrophobicContact CB-CG2 4.26Å; F100-I116 HydrophobicContact CB-CD1 4.4Å; V112-I116 HydrophobicContact CG1-CD1 4.01Å; V112-I116 WeakPolarHBondContact O-CG1 3.44Å; V112-I116 PolarHBondContact O-N 3.2Å; A113-I116 PolarHBondContact O-N 2.85Å; E114-I116 PolarHBondContact O-N 3.28Å; I116-Q118 PolarHBondContact O-N 2.92Å; I116-L119 WeakPolarHBondContact O-CB 3.4Å; I116-L119 PolarHBondContact O-N 2.95Å; I116-T120 WeakPolarHBondContact O-CG2 3.5Å; I116-T120 PolarHBondContact O-N 2.79Å
117Y96.2Very high96.8Very high118 Ų11875.3 Ų75.346%0.46341%0.412SS..Hα-helixtrans-60.6-43.4178.4176.3-120.8000112.8A113 E114 N115 L119 T120 K121A113-Y117 PolarHBondContact O-N 3.41Å; E114-Y117 WeakPolarHBondContact O-CB 3.18Å; E114-Y117 PolarHBondContact O-N 3.43Å; N115-Y117 VanDerWaalsContact C-N 3.32Å; N115-Y117 PolarHBondContact O-N 3.28Å; Y117-L119 VanDerWaalsContact C-N 3.31Å; Y117-L119 PolarHBondContact O-N 3.36Å; Y117-T120 PolarHBondContact O-N 2.92Å; Y117-T120 VanDerWaalsContact O-N 3.14Å; Y117-T120 PolarHBondContact O-OG1 3.11Å; Y117-K121 HydrophobicContact CE1-CD 4.49Å; Y117-K121 VanDerWaalsContact CZ-NZ 3.31Å; Y117-K121 PolarHBondContact O-N 3.49Å; Y117-K121 WeakPolarHBondContact OH-CE 3.28Å; Y117-K121 PolarHBondContact OH-NZ 3.47Å; Y117-K121 VanDerWaalsContact OH-NZ 3.13Å
118Q98Very high96.9Very high79 Ų7973 Ų7337%0.36940%0.396SS..Hα-helixtrans-65.1-34.6176.4-66.2-59.9-31.300112.5E114 N115 I116 T120 K121 T122E114-Q118 WeakPolarHBondContact O-CG 3.27Å; E114-Q118 PolarHBondContact O-N 3.35Å; E114-Q118 PolarHBondContact OE1-NE2 3.19Å; N115-Q118 PolarHBondContact O-N 3.46Å; I116-Q118 PolarHBondContact O-N 2.92Å; Q118-T120 VanDerWaalsContact C-N 3.34Å; Q118-K121 PolarHBondContact O-N 3.22Å; Q118-T122 PolarHBondContact O-N 2.93Å; Q118-T122 PolarHBondContact O-OG1 2.65Å; Q118-T122 VanDerWaalsContact O-OG1 3.05Å
119L97.8Very high96.9Very high49 Ų4972.3 Ų72.326%0.25739%0.392SS..Hα-helixtrans-63.2-40.2172-70168.1000111.3C12 D15 N115 I116 Y117 K121 T122 I123C12-L119 HydrophobicContact CB-CB 4.05Å; C12-L119 VanDerWaalsContact SG-C 3.53Å; D15-L119 HydrophobicContact CB-CD1 3.86Å; N115-L119 WeakPolarHBondContact O-CG 3.43Å; N115-L119 PolarHBondContact O-N 3.39Å; I116-L119 WeakPolarHBondContact O-CB 3.4Å; I116-L119 PolarHBondContact O-N 2.95Å; Y117-L119 VanDerWaalsContact C-N 3.31Å; Y117-L119 PolarHBondContact O-N 3.36Å; L119-K121 PolarHBondContact O-N 2.92Å; L119-K121 VanDerWaalsContact O-N 3.16Å; L119-T122 PolarHBondContact O-N 2.86Å; L119-T122 PolarHBondContact O-OG1 2.95Å; L119-I123 WeakPolarHBondContact O-CB 3.43Å; L119-I123 PolarHBondContact O-N 3.22Å
120T95.7Very high96.9Very high32 Ų3272.9 Ų72.920%0.19639%0.394CS..Hα-helixtrans-62.8-24.3178.565.70000113.6F9 C12 I116 Y117 Q118F9-T120 HydrophobicContact CD1-CG2 4.11Å; F9-T120 HydrophobicContact CE1-CG2 3.9Å; F9-T120 HydrophobicContact CZ-CG2 4.14Å; C12-T120 HydrophobicContact CB-CG2 3.76Å; C12-T120 PolarHBondContact SG-N 3.49Å; I116-T120 WeakPolarHBondContact O-CG2 3.5Å; I116-T120 PolarHBondContact O-N 2.79Å; Y117-T120 PolarHBondContact O-N 2.92Å; Y117-T120 VanDerWaalsContact O-N 3.14Å; Y117-T120 PolarHBondContact O-OG1 3.11Å; Q118-T120 VanDerWaalsContact C-N 3.34Å
121K96.9Very high96.7Very high115 Ų11573.8 Ų73.850%0.540%0.395SS..Hα-helixtrans-80.6-23176.8-66.7-179.6177.4172.50113.7Y117 Q118 L119Y117-K121 HydrophobicContact CE1-CD 4.49Å; Y117-K121 VanDerWaalsContact CZ-NZ 3.31Å; Y117-K121 PolarHBondContact O-N 3.49Å; Y117-K121 WeakPolarHBondContact OH-CE 3.28Å; Y117-K121 PolarHBondContact OH-NZ 3.47Å; Y117-K121 VanDerWaalsContact OH-NZ 3.13Å; Q118-K121 PolarHBondContact O-N 3.22Å; L119-K121 PolarHBondContact O-N 2.92Å; L119-K121 VanDerWaalsContact O-N 3.16Å
122T97.7Very high96.7Very high95 Ų9570.4 Ų70.458%0.58337%0.37SS*.Hα-helixtrans-119.5-6.5-168.756.90000113.1Q118 L119 T124Q118-T122 PolarHBondContact O-N 2.93Å; Q118-T122 PolarHBondContact O-OG1 2.65Å; Q118-T122 VanDerWaalsContact O-OG1 3.05Å; L119-T122 PolarHBondContact O-N 2.86Å; L119-T122 PolarHBondContact O-OG1 2.95Å; T122-T124 PolarHBondContact O-N 3.37Å
123I97.6Very high96.5Very high41 Ų4175.1 Ų75.121%0.2139%0.394CS..  trans-57.7132.7176.7-171.7164.5000110.9N8 Q11 C12 L119 H125N8-I123 HydrophobicContact CB-CD1 4.17Å; N8-I123 HydrophobicContact CB-CG2 4.21Å; Q11-I123 HydrophobicContact CB-CD1 3.93Å; Q11-I123 HydrophobicContact CG-CD1 3.91Å; C12-I123 VanDerWaalsContact SG-CD1 3.58Å; L119-I123 WeakPolarHBondContact O-CB 3.43Å; L119-I123 PolarHBondContact O-N 3.22Å; I123-H125 WeakPolarHBondContact CD1-O 3.18Å; I123-H125 VanDerWaalsContact CG1-O 3.29Å; I123-H125 WeakPolarHBondContact CG1-O 3.14Å
124T97.2Very high96.5Very high124 Ų12473.1 Ų73.176%0.76138%0.377SS*.  trans-122.5-13.7178.450.10000112.7T122T122-T124 PolarHBondContact O-N 3.37Å
125H97.4Very high96.3Very high139 Ų13972.3 Ų72.364%0.64438%0.375SS*.  trans-156.3155.8-179.160.7-78.6000110.4I123I123-H125 WeakPolarHBondContact CD1-O 3.18Å; I123-H125 VanDerWaalsContact CG1-O 3.29Å; I123-H125 WeakPolarHBondContact CG1-O 3.14Å
126Y97.8Very high96.2Very high62 Ų6270 Ų7024%0.24336%0.362CS..  trans-131.8156.2167.660.1-93.2000109.7H4 E7 I46 T128H4-Y126 HydrophobicContact CB-CE1 4.11Å; H4-Y126 AromaticContact ND1-CE1 3.68Å; H4-Y126 AromaticContact ND1-CZ 3.8Å; H4-Y126 PolarHBondContact ND1-OH 2.63Å; E7-Y126 HydrophobicContact CB-CD1 3.83Å; E7-Y126 HydrophobicContact CB-CD2 3.87Å; E7-Y126 HydrophobicContact CB-CE1 3.73Å; E7-Y126 HydrophobicContact CB-CE2 3.75Å; E7-Y126 HydrophobicContact CB-CG 3.9Å; E7-Y126 HydrophobicContact CG-CD2 4.27Å; E7-Y126 HydrophobicContact CG-CE1 4.33Å; E7-Y126 HydrophobicContact CG-CE2 3.75Å; I46-Y126 HydrophobicContact CD1-CD2 4.35Å; I46-Y126 HydrophobicContact CG1-CD2 4.47Å; Y126-T128 HydrophobicContact CD2-CG2 4.28Å; Y126-T128 HydrophobicContact CE2-CG2 3.86Å
127S97.5Very high96Very high54 Ų5473.7 Ų73.738%0.37839%0.385SS..  trans-99.6135.2176.5-610000109.9I46 A49I46-S127 WeakPolarHBondContact CA-O 3.47Å; I46-S127 WeakPolarHBondContact CG1-O 3.22Å; A49-S127 VanDerWaalsContact CB-C 3.41Å; A49-S127 WeakPolarHBondContact CB-O 3.2Å
128T97.4Very high95.8Very high55 Ų5571.1 Ų71.134%0.33739%0.385SS..  trans-146.6150.1-177.6-171.80000112.2R45 Y126 P130R45-T128 WeakPolarHBondContact CB-OG1 3.44Å; Y126-T128 HydrophobicContact CD2-CG2 4.28Å; Y126-T128 HydrophobicContact CE2-CG2 3.86Å; T128-P130 WeakPolarHBondContact O-CD 3.36Å
129C97.1Very high95.7Very high17 Ų1772.2 Ų72.212%0.11540%0.397CS..  trans-108.482.9171-62.50000109.2R45 A48 E131 L132 I146R45-C129 VanDerWaalsContact CG-O 3.24Å; R45-C129 WeakPolarHBondContact CG-O 3.48Å; R45-C129 PolarHBondContact O-N 3.14Å; R45-C129 VanDerWaalsContact O-N 3.1Å; A48-C129 HydrophobicContact CB-CB 4.39Å; C129-E131 VanDerWaalsContact C-N 3.3Å; C129-E131 PolarHBondContact O-N 3.31Å; C129-L132 HydrophobicContact CB-CB 4.2Å; C129-L132 VanDerWaalsContact O-CB 3.25Å; C129-L132 WeakPolarHBondContact O-CB 3.05Å; C129-L132 PolarHBondContact O-N 3.45Å; C129-I146 HydrophobicContact CB-CG2 4.47Å
130P94Very high95.7Very high72 Ų7271 Ų7147%0.46840%0.396SS..THydrogen-bonded Turntrans-63-32-163.623.5-32.7000114.1R45 T128 L132R45-P130 PolarHBondContact NE-O 3.04Å; R45-P130 PolarHBondContact NH2-O 2.96Å; T128-P130 WeakPolarHBondContact O-CD 3.36Å; P130-L132 PolarHBondContact O-N 2.89Å
131E93.4Very high95.7Very high171 Ų17176.5 Ų76.580%0.79942%0.417SS*.THydrogen-bonded Turntrans-78.9-3.8-179.8-56-52.9129.500113.7C129 L133C129-E131 VanDerWaalsContact C-N 3.3Å; C129-E131 PolarHBondContact O-N 3.31Å; E131-L133 PolarHBondContact O-N 2.95Å
132L95.5Very high95.8Very high15 Ų1573.8 Ų73.88%0.07941%0.407CS..  trans-69.8123.3-178.1-174.269.5000110.8F44 R45 A48 C129 P130 I134 V144 I146 M152F44-L132 HydrophobicContact CB-CD2 4.11Å; R45-L132 HydrophobicContact CG-CB 4.13Å; R45-L132 PolarHBondContact NE-O 3.2Å; A48-L132 HydrophobicContact CB-CD2 3.67Å; C129-L132 HydrophobicContact CB-CB 4.2Å; C129-L132 VanDerWaalsContact O-CB 3.25Å; C129-L132 WeakPolarHBondContact O-CB 3.05Å; C129-L132 PolarHBondContact O-N 3.45Å; P130-L132 PolarHBondContact O-N 2.89Å; L132-I134 HydrophobicContact CD1-CD1 4.08Å; L132-I134 HydrophobicContact CD2-CG1 4.49Å; L132-I134 HydrophobicContact CG-CD1 4.21Å; L132-I134 HydrophobicContact CG-CG1 4.27Å; L132-V144 HydrophobicContact CD1-CB 4.14Å; L132-V144 HydrophobicContact CD1-CG1 3.63Å; L132-V144 HydrophobicContact CD1-CG2 4.48Å; L132-I146 HydrophobicContact CD1-CG1 4.42Å; L132-M152 HydrophobicContact CD2-CE 3.77Å
133L93.6Very high95.8Very high126 Ų12677.3 Ų77.366%0.6641%0.409SS*.  trans-122.1130.6174-64.5175.5000109.6F41 E131F41-L133 HydrophobicContact CE1-CD2 4.41Å; E131-L133 PolarHBondContact O-N 2.95Å
134I95Very high95.7Very high6 Ų676.9 Ų76.93%0.03141%0.408CS..  trans-127.3132180-56.6-62.6000108.4F44 L132 Y136 V144 V154F44-I134 HydrophobicContact CB-CG1 4.12Å; F44-I134 HydrophobicContact CD1-CG1 4.18Å; F44-I134 HydrophobicContact CD2-CB 3.82Å; F44-I134 HydrophobicContact CD2-CG1 3.89Å; F44-I134 HydrophobicContact CD2-CG2 4.35Å; F44-I134 HydrophobicContact CE1-CG2 4.2Å; F44-I134 HydrophobicContact CE2-CB 3.78Å; F44-I134 HydrophobicContact CE2-CG1 4.28Å; F44-I134 HydrophobicContact CE2-CG2 3.88Å; F44-I134 HydrophobicContact CG-CB 4.25Å; F44-I134 HydrophobicContact CG-CG1 3.83Å; F44-I134 HydrophobicContact CZ-CB 4.18Å; F44-I134 HydrophobicContact CZ-CG2 3.79Å; L132-I134 HydrophobicContact CD1-CD1 4.08Å; L132-I134 HydrophobicContact CD2-CG1 4.49Å; L132-I134 HydrophobicContact CG-CD1 4.21Å; L132-I134 HydrophobicContact CG-CG1 4.27Å; I134-Y136 PolarHBondContact O-N 3.39Å; I134-V144 HydrophobicContact CD1-CB 4.49Å; I134-V144 HydrophobicContact CD1-CG1 4.32Å; I134-V144 HydrophobicContact CD1-CG2 3.48Å; I134-V144 VanDerWaalsContact CD1-CG2 3.48Å; I134-V154 HydrophobicContact CD1-CG2 4.05Å; I134-V154 HydrophobicContact CG1-CG2 4.28Å; I134-V154 HydrophobicContact CG2-CB 4.04Å; I134-V154 HydrophobicContact CG2-CG1 3.89Å; I134-V154 HydrophobicContact CG2-CG2 4.01Å
135N93.8Very high95.6Very high74 Ų7476.3 Ų76.340%0.39640%0.401SS..  trans-85.6106.8169.6-179.60.1000110T137 Q142N135-T137 WeakPolarHBondContact OD1-CB 3.47Å; N135-T137 PolarHBondContact OD1-N 2.93Å; N135-T137 PolarHBondContact OD1-OG1 2.97Å; N135-Q142 PolarHBondContact O-NE2 3.2Å
136Y93.7Very high95.6Very high12 Ų1271 Ų715%0.04738%0.377CS..  trans-108.221.4177.462.9-83.7000112.9N37 V40 F41 F44 M57 A59 S60 I134N37-Y136 WeakPolarHBondContact CA-OH 3.37Å; N37-Y136 PolarHBondContact OD1-OH 2.74Å; V40-Y136 HydrophobicContact CG1-CD1 4.06Å; V40-Y136 HydrophobicContact CG1-CD2 4.2Å; V40-Y136 HydrophobicContact CG1-CE1 3.87Å; V40-Y136 HydrophobicContact CG1-CE2 4.04Å; V40-Y136 HydrophobicContact CG1-CG 4.22Å; F41-Y136 HydrophobicContact CE1-CE1 4.18Å; F41-Y136 AromaticContact CE2-CE1 3.94Å; F41-Y136 HydrophobicContact CE2-CE1 3.94Å; F41-Y136 AromaticContact CZ-CE1 3.76Å; F41-Y136 HydrophobicContact CZ-CE1 3.76Å; F44-Y136 AromaticContact CE2-CD1 3.71Å; F44-Y136 HydrophobicContact CE2-CD1 3.71Å; F44-Y136 HydrophobicContact CE2-CE1 4.36Å; F44-Y136 HydrophobicContact CE2-CG 4.18Å; F44-Y136 HydrophobicContact CZ-CD1 4.36Å; F44-Y136 HydrophobicContact CZ-CG 4.42Å; M57-Y136 HydrophobicContact CE-CD2 3.81Å; M57-Y136 HydrophobicContact CE-CG 4.17Å; M57-Y136 HydrophobicContact SD-CG 4.44Å; A59-Y136 CarbonylContact C-O 3.56Å; A59-Y136 VanDerWaalsContact CA-O 3.26Å; A59-Y136 WeakPolarHBondContact CA-O 3.38Å; S60-Y136 PolarHBondContact N-O 2.86Å; I134-Y136 PolarHBondContact O-N 3.39Å
137T92.3Very high95.3Very high91 Ų9175.3 Ų75.356%0.55840%0.404SS*.SBendtrans-91.9-16.1-175.265.30000114.1N135N135-T137 WeakPolarHBondContact OD1-CB 3.47Å; N135-T137 PolarHBondContact OD1-N 2.93Å; N135-T137 PolarHBondContact OD1-OG1 2.97Å
138S93.5Very high95Very high65 Ų6578.4 Ų78.446%0.45543%0.426SS..SBendtrans-134.1152.3179.456.90000111.4I156S138-I156 VanDerWaalsContact O-CB 3.24Å; S138-I156 WeakPolarHBondContact O-CB 3.43Å; S138-I156 VanDerWaalsContact O-CG2 3.26Å; S138-I156 WeakPolarHBondContact O-CG2 3.39Å
139V95.8Very high94.8Very high101 Ų10177.3 Ų77.361%0.61242%0.419SS*.SBendtrans-59.7136.8174.9171.20000109.9I156V139-I156 WeakPolarHBondContact CA-O 3.32Å; V139-I156 WeakPolarHBondContact CG1-O 3.47Å
140G96.7Very high94.7Very high24 Ų2478.3 Ų78.325%0.24743%0.432CS..EExtended strand (participates in β ladder)trans157.9-178.3-179.200000113.7I156G140-I156 PolarHBondContact N-O 3.41Å; G140-I156 PolarHBondContact O-N 3.1Å
141F96.5Very high94.9Very high147 Ų14777.2 Ų77.265%0.64542%0.424SS*.EExtended strand (participates in β ladder)trans-120133.7179-69.1-97.5000109.8V154 E155F141-V154 WeakPolarHBondContact CA-O 3.27Å; F141-E155 HydrophobicContact CD1-CB 3.81Å; F141-E155 HydrophobicContact CD1-CG 3.81Å; F141-E155 HydrophobicContact CE1-CB 3.73Å; F141-E155 HydrophobicContact CE1-CG 3.3Å; F141-E155 WeakPolarHBondContact CE1-OE2 3.28Å; F141-E155 HydrophobicContact CE2-CG 4.31Å; F141-E155 HydrophobicContact CZ-CB 4.46Å; F141-E155 HydrophobicContact CZ-CG 3.57Å
142Q97.6Very high95.1Very high58 Ų5869.1 Ų69.127%0.27139%0.386SS..EExtended strand (participates in β ladder)trans-125.2120.2171.1-84.2158.19000109.2N135 T153 V154N135-Q142 PolarHBondContact O-NE2 3.2Å; Q142-T153 CarbonylContact O-C 3.44Å; Q142-T153 WeakPolarHBondContact O-CA 3.01Å; Q142-V154 PolarHBondContact N-O 2.98Å; Q142-V154 PolarHBondContact O-N 3.02Å
143R97.5Very high95.2Very high169 Ų16969.9 Ų69.964%0.63839%0.392SS*.EExtended strand (participates in β ladder)trans-97.7128.2169.2-174.1-179.316997.64.1107.8D145 T151R143-D145 IonicContact NE-OD1 3.95Å; R143-D145 IonicContact NH2-OD1 3.35Å; R143-T151 HydrophobicContact CG-CG2 3.44Å; R143-T151 VanDerWaalsContact CG-CG2 3.44Å; R143-T151 VanDerWaalsContact NH2-CG2 3.35Å; R143-T151 PolarHBondContact NH2-OG1 2.84Å
144V96.2Very high95.4Very high32 Ų3263.9 Ų63.919%0.19436%0.36CS..EExtended strand (participates in β ladder)trans-126.2119.8-176.5-127.70000108.4L132 I134 T151 M152L132-V144 HydrophobicContact CD1-CB 4.14Å; L132-V144 HydrophobicContact CD1-CG1 3.63Å; L132-V144 HydrophobicContact CD1-CG2 4.48Å; I134-V144 HydrophobicContact CD1-CB 4.49Å; I134-V144 HydrophobicContact CD1-CG1 4.32Å; I134-V144 HydrophobicContact CD1-CG2 3.48Å; I134-V144 VanDerWaalsContact CD1-CG2 3.48Å; V144-T151 WeakPolarHBondContact O-CA 3.32Å; V144-M152 PolarHBondContact N-O 2.89Å; V144-M152 PolarHBondContact O-N 2.84Å
145D96.3Very high95.6Very high112 Ų11264.8 Ų64.860%0.59936%0.364SS*.EExtended strand (participates in β ladder)trans-94.9121.8174.8-66.9-46.6000108.5R143 T151R143-D145 IonicContact NE-OD1 3.95Å; R143-D145 IonicContact NH2-OD1 3.35Å; D145-T151 VanDerWaalsContact OD1-CB 3.3Å; D145-T151 WeakPolarHBondContact OD1-CB 3.48Å; D145-T151 VanDerWaalsContact OD1-CG2 3.25Å; D145-T151 WeakPolarHBondContact OD1-CG2 3.48Å; D145-T151 PolarHBondContact OD1-OG1 3.26Å
146I95.5Very high95.8Very high29 Ų2961.3 Ų61.315%0.14935%0.346CS..EExtended strand (participates in β ladder)trans-110.6119.9179.3-55.1103000108.8A48 C129 L132 S148 V149 G150 M152A48-I146 HydrophobicContact CB-CD1 3.9Å; A48-I146 HydrophobicContact CB-CG1 4.43Å; C129-I146 HydrophobicContact CB-CG2 4.47Å; L132-I146 HydrophobicContact CD1-CG1 4.42Å; I146-S148 PolarHBondContact O-N 3.41Å; I146-V149 HydrophobicContact CB-CB 3.97Å; I146-V149 HydrophobicContact CB-CG1 4.45Å; I146-V149 HydrophobicContact CG2-CB 3.76Å; I146-V149 HydrophobicContact CG2-CG1 4.42Å; I146-V149 HydrophobicContact CG2-CG2 3.83Å; I146-V149 PolarHBondContact O-N 3.45Å; I146-V149 VanDerWaalsContact O-N 3.11Å; I146-G150 PolarHBondContact N-O 3.03Å; I146-G150 PolarHBondContact O-N 3.26Å; I146-M152 HydrophobicContact CD1-CB 4.21Å
147D91.7Very high95.9Very high151 Ų15161.7 Ų61.781%0.80735%0.347SS*.THydrogen-bonded Turntrans-51.1134.1179.8-74.3-17.4000111.8V149D147-V149 PolarHBondContact O-N 3.41Å
148S91.7Very high96Very high119 Ų11961 Ų6183%0.83234%0.341SS*.THydrogen-bonded Turntrans61.2-6.9-178.275.30000117.1R51 I146R51-S148 PolarHBondContact NH2-O 3.32Å; I146-S148 PolarHBondContact O-N 3.41Å
149V94Very high96.1Very high33 Ų3358.2 Ų58.220%0.232%0.321CS..THydrogen-bonded Turntrans-103.3-49.3-178175.60000111A48 R51 I146 D147A48-V149 WeakPolarHBondContact O-CG1 3.24Å; R51-V149 HydrophobicContact CG-CG1 3.93Å; R51-V149 PolarHBondContact NE-O 2.84Å; I146-V149 HydrophobicContact CB-CB 3.97Å; I146-V149 HydrophobicContact CB-CG1 4.45Å; I146-V149 HydrophobicContact CG2-CB 3.76Å; I146-V149 HydrophobicContact CG2-CG1 4.42Å; I146-V149 HydrophobicContact CG2-CG2 3.83Å; I146-V149 PolarHBondContact O-N 3.45Å; I146-V149 VanDerWaalsContact O-N 3.11Å; D147-V149 PolarHBondContact O-N 3.41Å
150G94.5Very high96Very high37 Ų3758.3 Ų58.338%0.38132%0.317SS..EExtended strand (participates in β ladder)trans128.1-162.8-178.200000112.6I146I146-G150 PolarHBondContact N-O 3.03Å; I146-G150 PolarHBondContact O-N 3.26Å
151T97.1Very high95.9Very high49 Ų4962.3 Ų62.330%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-100.4135.9179.2-48.10000111.1R143 V144 D145R143-T151 HydrophobicContact CG-CG2 3.44Å; R143-T151 VanDerWaalsContact CG-CG2 3.44Å; R143-T151 VanDerWaalsContact NH2-CG2 3.35Å; R143-T151 PolarHBondContact NH2-OG1 2.84Å; V144-T151 WeakPolarHBondContact O-CA 3.32Å; D145-T151 VanDerWaalsContact OD1-CB 3.3Å; D145-T151 WeakPolarHBondContact OD1-CB 3.48Å; D145-T151 VanDerWaalsContact OD1-CG2 3.25Å; D145-T151 WeakPolarHBondContact OD1-CG2 3.48Å; D145-T151 PolarHBondContact OD1-OG1 3.26Å
152M98.2Very high95.9Very high1 Ų156.2 Ų56.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-115.1142.7163.3-174.4172.169.400109.8F44 A47 A48 V52 I55 L132 V144 I146 V154F44-M152 HydrophobicContact CB-CE 4.45Å; F44-M152 HydrophobicContact CD1-CE 4.45Å; A47-M152 HydrophobicContact CB-SD 4.3Å; A48-M152 HydrophobicContact CB-CE 3.81Å; A48-M152 HydrophobicContact CB-SD 4.06Å; V52-M152 WeakPolarHBondContact O-CG 3.39Å; I55-M152 HydrophobicContact CD1-CE 4.3Å; I55-M152 HydrophobicContact CD1-SD 3.75Å; I55-M152 HydrophobicContact CG1-SD 4.27Å; L132-M152 HydrophobicContact CD2-CE 3.77Å; V144-M152 PolarHBondContact N-O 2.89Å; V144-M152 PolarHBondContact O-N 2.84Å; I146-M152 HydrophobicContact CD1-CB 4.21Å; M152-V154 HydrophobicContact CE-CG2 4.12Å
153T98.3Very high95.8Very high32 Ų3257 Ų5720%0.19630%0.302CS..EExtended strand (participates in β ladder)trans-107.1137.3169.9-550000109.3G53 H54 I55 Q142G53-T153 PolarHBondContact O-N 2.83Å; H54-T153 CarbonylContact C-O 3.57Å; H54-T153 VanDerWaalsContact CA-O 3.26Å; H54-T153 WeakPolarHBondContact CA-O 3.44Å; H54-T153 PolarHBondContact CD2-O 3.38Å; H54-T153 VanDerWaalsContact CD2-O 3.28Å; I55-T153 PolarHBondContact N-O 2.92Å; Q142-T153 CarbonylContact O-C 3.44Å; Q142-T153 WeakPolarHBondContact O-CA 3.01Å
154V98.2Very high95.7Very high0 Ų051.1 Ų51.10%029%0.287CS..EExtended strand (participates in β ladder)trans-116121.7169.3-175.40000108.7F44 I55 I134 F141 Q142 M152 I156F44-V154 HydrophobicContact CD1-CG2 4.04Å; F44-V154 HydrophobicContact CE1-CB 4.43Å; F44-V154 HydrophobicContact CE1-CG1 3.67Å; F44-V154 HydrophobicContact CE1-CG2 3.85Å; F44-V154 HydrophobicContact CZ-CG1 4.02Å; I55-V154 HydrophobicContact CB-CG2 4.44Å; I55-V154 CarbonylContact O-C 3.5Å; I55-V154 WeakPolarHBondContact O-CA 3.38Å; I134-V154 HydrophobicContact CD1-CG2 4.05Å; I134-V154 HydrophobicContact CG1-CG2 4.28Å; I134-V154 HydrophobicContact CG2-CB 4.04Å; I134-V154 HydrophobicContact CG2-CG1 3.89Å; I134-V154 HydrophobicContact CG2-CG2 4.01Å; F141-V154 WeakPolarHBondContact CA-O 3.27Å; Q142-V154 PolarHBondContact N-O 2.98Å; Q142-V154 PolarHBondContact O-N 3.02Å; M152-V154 HydrophobicContact CE-CG2 4.12Å; V154-I156 HydrophobicContact CG1-CD1 3.82Å
155E98.1Very high95.7Very high24 Ų2452 Ų5211%0.11229%0.29CS..EExtended strand (participates in β ladder)trans-113.6115.7177.9175.5-177.5150.500109.6H54 I55 K56 M57 F141H54-E155 IonicContact CE1-OE2 2.74Å; H54-E155 PolarHBondContact CE1-OE2 3.01Å; H54-E155 VanDerWaalsContact CE1-OE2 3.3Å; H54-E155 VanDerWaalsContact NE2-CB 3.28Å; H54-E155 WeakPolarHBondContact NE2-CB 2.96Å; H54-E155 IonicContact NE2-OE2 2.84Å; H54-E155 PolarHBondContact NE2-OE2 3.02Å; I55-E155 PolarHBondContact O-N 3.37Å; K56-E155 WeakPolarHBondContact CA-O 3.33Å; K56-E155 VanDerWaalsContact CE-OE2 3.26Å; K56-E155 WeakPolarHBondContact CE-OE2 3.29Å; K56-E155 HydrophobicContact CG-CB 4.14Å; K56-E155 IonicContact NZ-OE1 2.62Å; K56-E155 PolarHBondContact NZ-OE1 3.04Å; K56-E155 IonicContact NZ-OE2 2.8Å; K56-E155 PolarHBondContact NZ-OE2 2.83Å; M57-E155 PolarHBondContact N-O 2.9Å; F141-E155 HydrophobicContact CD1-CB 3.81Å; F141-E155 HydrophobicContact CD1-CG 3.81Å; F141-E155 HydrophobicContact CE1-CB 3.73Å; F141-E155 HydrophobicContact CE1-CG 3.3Å; F141-E155 WeakPolarHBondContact CE1-OE2 3.28Å; F141-E155 HydrophobicContact CE2-CG 4.31Å; F141-E155 HydrophobicContact CZ-CB 4.46Å; F141-E155 HydrophobicContact CZ-CG 3.57Å
156I97.4Very high95.7Very high2 Ų251.7 Ų51.71%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-95.9115.4173.1-46.7-57.8000107.9M57 A59 S138 V139 G140 V154M57-I156 HydrophobicContact CG-CD1 3.33Å; M57-I156 CarbonylContact O-C 3.43Å; M57-I156 VanDerWaalsContact O-CA 3.25Å; M57-I156 WeakPolarHBondContact O-CA 3.4Å; M57-I156 HydrophobicContact SD-CD1 3.9Å; A59-I156 HydrophobicContact CB-CG2 3.97Å; A59-I156 VanDerWaalsContact N-CG2 3.31Å; S138-I156 VanDerWaalsContact O-CB 3.24Å; S138-I156 WeakPolarHBondContact O-CB 3.43Å; S138-I156 VanDerWaalsContact O-CG2 3.26Å; S138-I156 WeakPolarHBondContact O-CG2 3.39Å; V139-I156 WeakPolarHBondContact CA-O 3.32Å; V139-I156 WeakPolarHBondContact CG1-O 3.47Å; G140-I156 PolarHBondContact N-O 3.41Å; G140-I156 PolarHBondContact O-N 3.1Å; V154-I156 HydrophobicContact CG1-CD1 3.82Å
157F96.6Very high95.8Very high19 Ų1952 Ų528%0.08328%0.282CS..EExtended strand (participates in β ladder)trans-122.8163.5-175.272.8-82.7000112.2K56 M57 M63 A71 F75 S159 Q162K56-F157 HydrophobicContact CB-CD1 4.33Å; K56-F157 HydrophobicContact CB-CE1 4.06Å; M57-F157 WeakPolarHBondContact O-CD1 3.45Å; M57-F157 PolarHBondContact O-N 3.28Å; M63-F157 HydrophobicContact CE-CE1 4.44Å; M63-F157 HydrophobicContact CE-CE2 4.48Å; M63-F157 HydrophobicContact CE-CZ 3.68Å; M63-F157 HydrophobicContact SD-CZ 4.25Å; A71-F157 HydrophobicContact CB-CZ 3.92Å; F75-F157 HydrophobicContact CE2-CD1 4.26Å; F75-F157 HydrophobicContact CE2-CD2 4.17Å; F75-F157 AromaticContact CE2-CE1 3.94Å; F75-F157 HydrophobicContact CE2-CE1 3.94Å; F75-F157 AromaticContact CE2-CE2 3.85Å; F75-F157 HydrophobicContact CE2-CE2 3.85Å; F75-F157 HydrophobicContact CE2-CG 4.38Å; F75-F157 AromaticContact CE2-CZ 3.72Å; F75-F157 HydrophobicContact CE2-CZ 3.72Å; F75-F157 HydrophobicContact CZ-CD2 4.11Å; F75-F157 HydrophobicContact CZ-CE2 4.19Å; F75-F157 HydrophobicContact CZ-CG 4.3Å; F75-F157 HydrophobicContact CZ-CZ 4.46Å; F157-S159 PolarHBondContact O-N 3.05Å; F157-Q162 HydrophobicContact CE2-CB 4.42Å
158D95.3Very high95.9Very high78 Ų7849.8 Ų49.842%0.41727%0.267SS..  trans-81.992.5175.2-172.7-12.3000110.9I160 K161 Q162D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 2.87Å; D158-I160 WeakPolarHBondContact OD1-CB 3.24Å; D158-I160 PolarHBondContact OD1-N 3.02Å; D158-K161 HydrophobicContact CB-CB 4.05Å; D158-K161 VanDerWaalsContact CG-CB 3.45Å; D158-K161 PolarHBondContact OD1-N 3.29Å; D158-K161 WeakPolarHBondContact OD2-CB 3.36Å; D158-Q162 PolarHBondContact O-N 3.28Å; D158-Q162 VanDerWaalsContact O-N 3.07Å
159S94.1Very high96.1Very high5 Ų553 Ų534%0.03526%0.261CS..Hα-helixtrans-71.7-20.517883.40000114R58 F157 Y163R58-S159 WeakPolarHBondContact CD-OG 3.29Å; F157-S159 PolarHBondContact O-N 3.05Å; S159-Y163 VanDerWaalsContact O-CB 3.28Å; S159-Y163 WeakPolarHBondContact O-CB 3.3Å; S159-Y163 PolarHBondContact O-N 3.26Å
160I94.5Very high96.2Very high103 Ų10355.7 Ų55.753%0.52827%0.273SS..Hα-helixtrans-71.8-48.7177.3-64.3175.4000108D158 Q162 Y163 S164D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 2.87Å; D158-I160 WeakPolarHBondContact OD1-CB 3.24Å; D158-I160 PolarHBondContact OD1-N 3.02Å; I160-Q162 PolarHBondContact O-N 3.47Å; I160-Y163 PolarHBondContact O-N 3.22Å; I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 3.45Å; I160-S164 PolarHBondContact O-N 3.39Å
161K95.4Very high96.3Very high109 Ų10958.7 Ų58.747%0.47428%0.276SS..Hα-helixtrans-58.7-48.1174.4178.2161.817537.70111.7D158 Y163 S164 D165D158-K161 HydrophobicContact CB-CB 4.05Å; D158-K161 VanDerWaalsContact CG-CB 3.45Å; D158-K161 PolarHBondContact OD1-N 3.29Å; D158-K161 WeakPolarHBondContact OD2-CB 3.36Å; K161-Y163 VanDerWaalsContact C-N 3.32Å; K161-Y163 PolarHBondContact O-N 2.87Å; K161-S164 PolarHBondContact O-N 2.86Å; K161-D165 IonicContact NZ-OD1 3.67Å; K161-D165 PolarHBondContact NZ-OD1 3.31Å; K161-D165 IonicContact NZ-OD2 3.78Å; K161-D165 PolarHBondContact NZ-OD2 2.86Å; K161-D165 WeakPolarHBondContact O-CB 3.17Å; K161-D165 PolarHBondContact O-N 3.13Å
162Q95.5Very high96.2Very high18 Ų1860.5 Ų60.58%0.08428%0.284CS..Hα-helixtrans-54.5-49.5177.4-177.9-17447.800111.8L70 E74 F75 F157 D158 I160 R166L70-Q162 HydrophobicContact CD2-CG 4.09Å; E74-Q162 VanDerWaalsContact OE2-CG 3.24Å; E74-Q162 WeakPolarHBondContact OE2-CG 3.42Å; E74-Q162 PolarHBondContact OE2-NE2 2.93Å; F75-Q162 VanDerWaalsContact CE2-NE2 3.34Å; F157-Q162 HydrophobicContact CE2-CB 4.42Å; D158-Q162 PolarHBondContact O-N 3.28Å; D158-Q162 VanDerWaalsContact O-N 3.07Å; I160-Q162 PolarHBondContact O-N 3.47Å; Q162-R166 PolarHBondContact O-N 3.37Å
163Y95.9Very high95.9Very high76 Ų7664.2 Ų64.230%0.29830%0.3SS..Hα-helixtrans-68.5-41.1-177.9-168.8-96.9000112.1P66 A67 L70 S159 I160 K161 R166 M167P66-Y163 HydrophobicContact CB-CE2 3.68Å; A67-Y163 HydrophobicContact CB-CD2 3.97Å; A67-Y163 HydrophobicContact CB-CG 4.32Å; L70-Y163 HydrophobicContact CB-CD2 4.48Å; L70-Y163 HydrophobicContact CD2-CD2 3.83Å; L70-Y163 HydrophobicContact CD2-CG 4.49Å; S159-Y163 VanDerWaalsContact O-CB 3.28Å; S159-Y163 WeakPolarHBondContact O-CB 3.3Å; S159-Y163 PolarHBondContact O-N 3.26Å; I160-Y163 PolarHBondContact O-N 3.22Å; K161-Y163 VanDerWaalsContact C-N 3.32Å; K161-Y163 PolarHBondContact O-N 2.87Å; Y163-R166 WeakPolarHBondContact O-CB 3.26Å; Y163-R166 PolarHBondContact O-N 2.9Å; Y163-M167 HydrophobicContact CD1-CG 3.97Å; Y163-M167 HydrophobicContact CD2-CE 4.36Å; Y163-M167 HydrophobicContact CE1-CE 3.98Å; Y163-M167 HydrophobicContact CE1-CG 3.68Å; Y163-M167 HydrophobicContact CE1-SD 3.96Å; Y163-M167 HydrophobicContact CE2-CE 3.79Å; Y163-M167 WeakPolarHBondContact O-CG 3.26Å; Y163-M167 PolarHBondContact O-N 3.2Å
164S95.4Very high95.6Very high45 Ų4571 Ų7132%0.31532%0.323SS..Hα-helixtrans-61.6-48.3176.6-166.30000111.7I160 K161 R166 M167 E168I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 3.45Å; I160-S164 PolarHBondContact O-N 3.39Å; K161-S164 PolarHBondContact O-N 2.86Å; S164-R166 PolarHBondContact O-N 3.19Å; S164-M167 PolarHBondContact O-N 2.65Å; S164-E168 PolarHBondContact O-N 3.09Å
165D96.1Very high95.1Very high51 Ų5175.4 Ų75.427%0.27335%0.346SS..Hα-helixtrans-57.8-34.5177.1-69.4-4.4000111K161 R169K161-D165 IonicContact NZ-OD1 3.67Å; K161-D165 PolarHBondContact NZ-OD1 3.31Å; K161-D165 IonicContact NZ-OD2 3.78Å; K161-D165 PolarHBondContact NZ-OD2 2.86Å; K161-D165 WeakPolarHBondContact O-CB 3.17Å; K161-D165 PolarHBondContact O-N 3.13Å; D165-R169 WeakPolarHBondContact O-CG 3.32Å; D165-R169 PolarHBondContact O-N 2.97Å
166R96.7Very high94.7Very high104 Ų10478.2 Ų78.239%0.39236%0.358SS..Hα-helixtrans-70.7-43.3175-176.767.5-176.2-165.38.2112.3L70 Q162 Y163 S164 E168 R169 I170L70-R166 HydrophobicContact CD1-CB 4.23Å; L70-R166 HydrophobicContact CD1-CG 3.7Å; L70-R166 HydrophobicContact CD2-CB 3.55Å; L70-R166 HydrophobicContact CD2-CG 3.87Å; L70-R166 HydrophobicContact CG-CG 4.45Å; Q162-R166 PolarHBondContact O-N 3.37Å; Y163-R166 WeakPolarHBondContact O-CB 3.26Å; Y163-R166 PolarHBondContact O-N 2.9Å; S164-R166 PolarHBondContact O-N 3.19Å; R166-E168 VanDerWaalsContact C-N 3.33Å; R166-R169 PolarHBondContact O-N 2.96Å; R166-I170 HydrophobicContact CG-CD1 4.02Å; R166-I170 WeakPolarHBondContact O-CG1 3.12Å; R166-I170 PolarHBondContact O-N 3.35Å
167M96.9Very high94.3Very high36 Ų3685.6 Ų85.618%0.17739%0.39CS..Hα-helixtrans-64-39.7178.6-66.7-57.5108.500111.3Y163 S164 R169 I170 F171 F173Y163-M167 HydrophobicContact CD1-CG 3.97Å; Y163-M167 HydrophobicContact CD2-CE 4.36Å; Y163-M167 HydrophobicContact CE1-CE 3.98Å; Y163-M167 HydrophobicContact CE1-CG 3.68Å; Y163-M167 HydrophobicContact CE1-SD 3.96Å; Y163-M167 HydrophobicContact CE2-CE 3.79Å; Y163-M167 WeakPolarHBondContact O-CG 3.26Å; Y163-M167 PolarHBondContact O-N 3.2Å; S164-M167 PolarHBondContact O-N 2.65Å; M167-R169 PolarHBondContact O-N 2.76Å; M167-I170 HydrophobicContact CE-CD1 4.03Å; M167-I170 PolarHBondContact O-N 3.26Å; M167-F171 PolarHBondContact O-N 2.89Å; M167-F171 HydrophobicContact SD-CD2 4.4Å; M167-F171 HydrophobicContact SD-CE2 3.98Å; M167-F173 HydrophobicContact CB-CE1 3.88Å; M167-F173 HydrophobicContact CB-CZ 3.59Å
168E95Very high93.8Very high105 Ų10585.2 Ų85.249%0.49139%0.39SS..Hα-helixtrans-61.8-26.2174.9-77179-156.400113.5S164 R166 F171 F173S164-E168 PolarHBondContact O-N 3.09Å; R166-E168 VanDerWaalsContact C-N 3.33Å; E168-F171 VanDerWaalsContact O-O 3.07Å; E168-F173 HydrophobicContact CG-CB 4.43Å; E168-F173 HydrophobicContact CG-CD1 4.06Å; E168-F173 HydrophobicContact CG-CD2 3.27Å; E168-F173 HydrophobicContact CG-CE1 4.09Å; E168-F173 HydrophobicContact CG-CE2 3.3Å; E168-F173 HydrophobicContact CG-CG 3.67Å; E168-F173 HydrophobicContact CG-CZ 3.74Å
169R95.4Very high93.4Very high185 Ų18583.6 Ų83.670%0.69838%0.381SS*.Hα-helixtrans-82.5-21.1174.3-69.5173.3-172.91734.5113.3D165 R166 M167D165-R169 WeakPolarHBondContact O-CG 3.32Å; D165-R169 PolarHBondContact O-N 2.97Å; R166-R169 PolarHBondContact O-N 2.96Å; M167-R169 PolarHBondContact O-N 2.76Å
170I96.5Very high93Very high91 Ų9190.1 Ų90.147%0.46741%0.409SS..Hα-helixtrans-93.1-38.9-178.4-66169000110.5R166 M167R166-I170 HydrophobicContact CG-CD1 4.02Å; R166-I170 WeakPolarHBondContact O-CG1 3.12Å; R166-I170 PolarHBondContact O-N 3.35Å; M167-I170 HydrophobicContact CE-CD1 4.03Å; M167-I170 PolarHBondContact O-N 3.26Å
171F96.1Very high92.5Very high100 Ų10088.7 Ų88.744%0.43941%0.408SS..SBendtrans-119.5152.3-175-57.1-76.5000111.8M167 E168 F173 F176M167-F171 PolarHBondContact O-N 2.89Å; M167-F171 HydrophobicContact SD-CD2 4.4Å; M167-F171 HydrophobicContact SD-CE2 3.98Å; E168-F171 VanDerWaalsContact O-O 3.07Å; F171-F173 HydrophobicContact CB-CD1 4.16Å; F171-F173 HydrophobicContact CB-CE1 4.14Å; F171-F173 PolarHBondContact O-N 2.96Å; F171-F176 HydrophobicContact CB-CD2 4.33Å; F171-F176 HydrophobicContact CB-CE2 3.54Å; F171-F176 HydrophobicContact CB-CZ 4.31Å; F171-F176 HydrophobicContact CD1-CE2 4.22Å; F171-F176 HydrophobicContact CD1-CZ 4.22Å; F171-F176 AromaticContact CG-CE2 3.91Å; F171-F176 HydrophobicContact CG-CE2 3.91Å; F171-F176 HydrophobicContact CG-CZ 4.37Å
172D94Very high91.4Very high86 Ų8687.8 Ų87.846%0.4641%0.405SS..  trans-80.698171.4-171.1-27000110.4Y174 L175 F176D172-Y174 PolarHBondContact O-N 3.36Å; D172-Y174 WeakPolarHBondContact OD1-CA 3.32Å; D172-Y174 VanDerWaalsContact OD1-CB 3.24Å; D172-Y174 WeakPolarHBondContact OD1-CB 3.23Å; D172-Y174 PolarHBondContact OD1-N 2.9Å; D172-L175 HydrophobicContact CB-CB 4.09Å; D172-L175 HydrophobicContact CB-CD1 3.91Å; D172-L175 HydrophobicContact CB-CG 4.08Å; D172-L175 PolarHBondContact O-N 3.21Å; D172-L175 PolarHBondContact OD1-N 3.18Å; D172-L175 WeakPolarHBondContact OD2-CG 3.12Å; D172-F176 PolarHBondContact O-N 3.38Å
173F93.2Very high90.1Very high80 Ų8090.9 Ų90.935%0.35143%0.429SS..Hα-helixtrans-68.3-22.7178.3-85.436000112.7M167 E168 F171 F176 K177M167-F173 HydrophobicContact CB-CE1 3.88Å; M167-F173 HydrophobicContact CB-CZ 3.59Å; E168-F173 HydrophobicContact CG-CB 4.43Å; E168-F173 HydrophobicContact CG-CD1 4.06Å; E168-F173 HydrophobicContact CG-CD2 3.27Å; E168-F173 HydrophobicContact CG-CE1 4.09Å; E168-F173 HydrophobicContact CG-CE2 3.3Å; E168-F173 HydrophobicContact CG-CG 3.67Å; E168-F173 HydrophobicContact CG-CZ 3.74Å; F171-F173 HydrophobicContact CB-CD1 4.16Å; F171-F173 HydrophobicContact CB-CE1 4.14Å; F171-F173 PolarHBondContact O-N 2.96Å; F173-F176 HydrophobicContact CD1-CD2 4.16Å; F173-K177 VanDerWaalsContact O-CB 3.32Å; F173-K177 WeakPolarHBondContact O-CB 3.32Å; F173-K177 PolarHBondContact O-N 3.5Å
174Y90.5Very high88.6Confident173 Ų17391.9 Ų91.968%0.67844%0.439SS*.Hα-helixtrans-69.6-42.4174.5180-92.8000110.7D172 K177 S178D172-Y174 PolarHBondContact O-N 3.36Å; D172-Y174 WeakPolarHBondContact OD1-CA 3.32Å; D172-Y174 VanDerWaalsContact OD1-CB 3.24Å; D172-Y174 WeakPolarHBondContact OD1-CB 3.23Å; D172-Y174 PolarHBondContact OD1-N 2.9Å; Y174-K177 PolarHBondContact O-N 3.09Å; Y174-S178 VanDerWaalsContact O-CB 3.31Å; Y174-S178 WeakPolarHBondContact O-CB 3.48Å; Y174-S178 PolarHBondContact O-N 3.01Å; Y174-S178 PolarHBondContact O-OG 2.99Å
175L89.2Confident87.2Confident93 Ų9393.2 Ų93.249%0.48745%0.445SS..Hα-helixtrans-61.8-44.3173-74.2177.8000111.7D172 K177 S178 L179 I184D172-L175 HydrophobicContact CB-CB 4.09Å; D172-L175 HydrophobicContact CB-CD1 3.91Å; D172-L175 HydrophobicContact CB-CG 4.08Å; D172-L175 PolarHBondContact O-N 3.21Å; D172-L175 PolarHBondContact OD1-N 3.18Å; D172-L175 WeakPolarHBondContact OD2-CG 3.12Å; L175-K177 PolarHBondContact O-N 2.86Å; L175-S178 PolarHBondContact O-N 2.94Å; L175-L179 WeakPolarHBondContact O-CB 3.31Å; L175-L179 PolarHBondContact O-N 2.85Å; L175-I184 HydrophobicContact CD2-CD1 4.2Å
176F89.6Confident85.8Confident84 Ų8493.5 Ų93.537%0.36846%0.46SS..Hα-helixtrans-60.9-46.4175.1-74.5-41.1000112.4F171 D172 F173 S178 L179 F180F171-F176 HydrophobicContact CB-CD2 4.33Å; F171-F176 HydrophobicContact CB-CE2 3.54Å; F171-F176 HydrophobicContact CB-CZ 4.31Å; F171-F176 HydrophobicContact CD1-CE2 4.22Å; F171-F176 HydrophobicContact CD1-CZ 4.22Å; F171-F176 AromaticContact CG-CE2 3.91Å; F171-F176 HydrophobicContact CG-CE2 3.91Å; F171-F176 HydrophobicContact CG-CZ 4.37Å; D172-F176 PolarHBondContact O-N 3.38Å; F173-F176 HydrophobicContact CD1-CD2 4.16Å; F176-S178 VanDerWaalsContact C-N 3.26Å; F176-S178 PolarHBondContact O-N 2.68Å; F176-L179 WeakPolarHBondContact O-CB 3.47Å; F176-L179 PolarHBondContact O-N 3.21Å; F176-F180 HydrophobicContact CB-CD2 4.2Å; F176-F180 HydrophobicContact CB-CE2 3.89Å; F176-F180 HydrophobicContact CD1-CE2 4.37Å; F176-F180 HydrophobicContact CG-CE2 4.35Å; F176-F180 WeakPolarHBondContact O-CD2 3.39Å; F176-F180 WeakPolarHBondContact O-CG 3Å; F176-F180 PolarHBondContact O-N 3.39Å
177K88.1Confident83.8Confident157 Ų15796.4 Ų96.468%0.68348%0.476SS*.Hα-helixtrans-59.3-41.6176.9-172.4176.7-178.8-179.50111.3F173 Y174 L175 S181F173-K177 VanDerWaalsContact O-CB 3.32Å; F173-K177 WeakPolarHBondContact O-CB 3.32Å; F173-K177 PolarHBondContact O-N 3.5Å; Y174-K177 PolarHBondContact O-N 3.09Å; L175-K177 PolarHBondContact O-N 2.86Å; K177-S181 VanDerWaalsContact O-CB 3.24Å; K177-S181 WeakPolarHBondContact O-CB 3.46Å; K177-S181 PolarHBondContact O-N 3.14Å; K177-S181 PolarHBondContact O-OG 3.1Å
178S86.5Confident82Confident11 Ų1198.9 Ų98.98%0.07749%0.494CS..Hα-helixtrans-66.8-38.7178.9-59.20000111.9Y174 L175 F176 S181 E182 S183 I184Y174-S178 VanDerWaalsContact O-CB 3.31Å; Y174-S178 WeakPolarHBondContact O-CB 3.48Å; Y174-S178 PolarHBondContact O-N 3.01Å; Y174-S178 PolarHBondContact O-OG 2.99Å; L175-S178 PolarHBondContact O-N 2.94Å; F176-S178 VanDerWaalsContact C-N 3.26Å; F176-S178 PolarHBondContact O-N 2.68Å; S178-S181 WeakPolarHBondContact CA-OG 3.24Å; S178-S181 PolarHBondContact O-OG 2.74Å; S178-E182 PolarHBondContact O-N 3.12Å; S178-S183 VanDerWaalsContact C-OG 3.26Å; S178-S183 WeakPolarHBondContact CA-OG 3.22Å; S178-S183 VanDerWaalsContact CB-OG 3.23Å; S178-S183 WeakPolarHBondContact CB-OG 3.02Å; S178-S183 PolarHBondContact O-N 3.39Å; S178-S183 VanDerWaalsContact O-N 3.11Å; S178-S183 PolarHBondContact O-OG 3.46Å; S178-I184 VanDerWaalsContact CB-CD1 3.46Å
179L87.3Confident80.3Confident44 Ų44103.7 Ų103.723%0.2351%0.514CS..Hα-helixtrans-65.1-48.2175.4-173.468.1000111.7L175 F176 S181 E182 T185 F189L175-L179 WeakPolarHBondContact O-CB 3.31Å; L175-L179 PolarHBondContact O-N 2.85Å; F176-L179 WeakPolarHBondContact O-CB 3.47Å; F176-L179 PolarHBondContact O-N 3.21Å; L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 2.64Å; L179-E182 PolarHBondContact O-N 3.11Å; L179-T185 HydrophobicContact CD1-CG2 3.72Å; L179-F189 HydrophobicContact CD1-CE2 3.59Å; L179-F189 HydrophobicContact CD1-CZ 4.11Å; L179-F189 HydrophobicContact CD2-CE2 3.88Å; L179-F189 HydrophobicContact CD2-CZ 4.17Å; L179-F189 HydrophobicContact CG-CD2 4.37Å; L179-F189 HydrophobicContact CG-CE2 3.55Å; L179-F189 HydrophobicContact CG-CZ 4.26Å
180F85Confident79.5Confident142 Ų14299.6 Ų99.662%0.62351%0.505SS*.Hα-helixtrans-75.3-17.5-179.4-61.9-51000113.9F176F176-F180 HydrophobicContact CB-CD2 4.2Å; F176-F180 HydrophobicContact CB-CE2 3.89Å; F176-F180 HydrophobicContact CD1-CE2 4.37Å; F176-F180 HydrophobicContact CG-CE2 4.35Å; F176-F180 WeakPolarHBondContact O-CD2 3.39Å; F176-F180 WeakPolarHBondContact O-CG 3Å; F176-F180 PolarHBondContact O-N 3.39Å
181S83.8Confident78.6Confident72 Ų72100.1 Ų100.150%0.50351%0.507SS..THydrogen-bonded Turntrans-96.114.4174.8590000113.5K177 S178 L179 S183K177-S181 VanDerWaalsContact O-CB 3.24Å; K177-S181 WeakPolarHBondContact O-CB 3.46Å; K177-S181 PolarHBondContact O-N 3.14Å; K177-S181 PolarHBondContact O-OG 3.1Å; S178-S181 WeakPolarHBondContact CA-OG 3.24Å; S178-S181 PolarHBondContact O-OG 2.74Å; L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 2.64Å; S181-S183 PolarHBondContact O-N 3.33Å
182E72Confident77.6Confident90 Ų90100.1 Ų100.142%0.42151%0.511SS..THydrogen-bonded Turntrans66.1-1.9177.6-50.3176.5-175.500115.5S178 L179 I184 T185 G186 P188S178-E182 PolarHBondContact O-N 3.12Å; L179-E182 PolarHBondContact O-N 3.11Å; E182-I184 PolarHBondContact O-N 3.21Å; E182-I184 VanDerWaalsContact O-N 3.1Å; E182-T185 PolarHBondContact O-N 3.47Å; E182-G186 WeakPolarHBondContact O-CA 3.48Å; E182-G186 PolarHBondContact O-N 2.93Å; E182-P188 HydrophobicContact CG-CB 4.32Å; E182-P188 WeakPolarHBondContact OE1-CB 3.25Å; E182-P188 VanDerWaalsContact OE1-CD 3.25Å; E182-P188 WeakPolarHBondContact OE1-CD 3.42Å; E182-P188 WeakPolarHBondContact OE1-CG 3.36Å
183S68.1Low76.7Confident83 Ų83100.9 Ų100.958%0.5851%0.514SS*.THydrogen-bonded Turntrans-64.7-16.8-177.165.20000114.4S178 S181S178-S183 VanDerWaalsContact C-OG 3.26Å; S178-S183 WeakPolarHBondContact CA-OG 3.22Å; S178-S183 VanDerWaalsContact CB-OG 3.23Å; S178-S183 WeakPolarHBondContact CB-OG 3.02Å; S178-S183 PolarHBondContact O-N 3.39Å; S178-S183 VanDerWaalsContact O-N 3.11Å; S178-S183 PolarHBondContact O-OG 3.46Å; S181-S183 PolarHBondContact O-N 3.33Å
184I65.6Low75.7Confident98 Ų98102.2 Ų102.250%0.50352%0.524SS..THydrogen-bonded Turntrans-102.2-41.2177.6-61.4177.8000112.3L175 S178 E182L175-I184 HydrophobicContact CD2-CD1 4.2Å; S178-I184 VanDerWaalsContact CB-CD1 3.46Å; E182-I184 PolarHBondContact O-N 3.21Å; E182-I184 VanDerWaalsContact O-N 3.1Å
185T66.9Low74.7Confident72 Ų7297.5 Ų97.544%0.44251%0.514SS..THydrogen-bonded Turntrans-109.2-15.4-168.252.10000114.5L179 E182 K187L179-T185 HydrophobicContact CD1-CG2 3.72Å; E182-T185 PolarHBondContact O-N 3.47Å; T185-K187 PolarHBondContact O-N 3.45Å; T185-K187 PolarHBondContact OG1-O 3.1Å; T185-K187 VanDerWaalsContact OG1-O 3.1Å
186G65Low73.6Confident58 Ų5897.8 Ų97.860%0.59852%0.515SS*.SBendtrans679.7-179.300000115.7E182E182-G186 WeakPolarHBondContact O-CA 3.48Å; E182-G186 PolarHBondContact O-N 2.93Å
187K55.2Low72.4Confident164 Ų16498.8 Ų98.871%0.71353%0.527SS*.SBendtrans-147.4143170.9-68.5-171.9179.8-179.50109.7T185T185-K187 PolarHBondContact O-N 3.45Å; T185-K187 PolarHBondContact OG1-O 3.1Å; T185-K187 VanDerWaalsContact OG1-O 3.1Å
188P58.4Low71.1Confident88 Ų8894 Ų9457%0.57151%0.514SS*.  trans-70.6150.2174.727.1-27.8000110.4E182E182-P188 HydrophobicContact CG-CB 4.32Å; E182-P188 WeakPolarHBondContact OE1-CB 3.25Å; E182-P188 VanDerWaalsContact OE1-CD 3.25Å; E182-P188 WeakPolarHBondContact OE1-CD 3.42Å; E182-P188 WeakPolarHBondContact OE1-CG 3.36Å
189F59.5Low69.7Low206 Ų206101.5 Ų101.590%0.90455%0.553SS**  trans-67.60166-80.6-93.6000110.9L179L179-F189 HydrophobicContact CD1-CE2 3.59Å; L179-F189 HydrophobicContact CD1-CZ 4.11Å; L179-F189 HydrophobicContact CD2-CE2 3.88Å; L179-F189 HydrophobicContact CD2-CZ 4.17Å; L179-F189 HydrophobicContact CG-CD2 4.37Å; L179-F189 HydrophobicContact CG-CE2 3.55Å; L179-F189 HydrophobicContact CG-CZ 4.26Å

Retrieved 189 of 189 residues in 217.5 ms (Link to these results)

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