A0A077YZH5_TRITR Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YZH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M83Confident88Confident164 Ų16452.3 Ų52.381%0.80826%0.262SS*.  0136.60-172.8176.9-175.400108V28 Y40M1-V28 HydrophobicContact CE-CB 4.47Å; M1-V28 HydrophobicContact CE-CG1 4.38Å; M1-Y40 CarbonylContact C-O 3.34Å; M1-Y40 WeakPolarHBondContact CA-O 3.16Å; M1-Y40 WeakPolarHBondContact CG-O 3.31Å
2I86.2Confident88Confident33 Ų3349.7 Ų49.717%0.16925%0.252CS..EExtended strand (participates in β ladder)trans-137.1143.1178.2-175.4173.9000109.1P10 Y40 V62I2-P10 HydrophobicContact CG2-CB 3.73Å; I2-P10 HydrophobicContact CG2-CG 4.31Å; I2-Y40 PolarHBondContact N-O 2.73Å; I2-Y40 PolarHBondContact O-N 2.92Å; I2-V62 HydrophobicContact CD1-CB 4.31Å; I2-V62 HydrophobicContact CD1-CG1 3.81Å; I2-V62 WeakPolarHBondContact CD1-O 3.25Å; I2-V62 HydrophobicContact CG2-CG1 4.23Å
3T88.7Confident87.8Confident39 Ų3948.5 Ų48.524%0.23925%0.247CC..EExtended strand (participates in β ladder)trans-113.2124177.6-56.60000109.6C37 K38 C64 N76T3-C37 HydrophobicContact CG2-CB 3.92Å; T3-K38 WeakPolarHBondContact CA-O 3.45Å; T3-C64 PolarHBondContact O-SG 2.84Å; T3-C64 VanDerWaalsContact O-SG 3.41Å; T3-N76 PolarHBondContact O-ND2 2.04Å
4C89.7Confident87.5Confident1 Ų155.2 Ų55.21%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-118.2134.5177.7-55.40000110.1G8 K38 Y40 C64 N76C4-G8 WeakPolarHBondContact CB-O 3.43Å; C4-K38 PolarHBondContact N-O 2.75Å; C4-K38 PolarHBondContact O-N 3.22Å; C4-Y40 HydrophobicContact CB-CD2 4.44Å; C4-Y40 HydrophobicContact CB-CE2 4.11Å; C4-C64 WeakPolarHBondContact CA-SG 3.48Å; C4-C64 HydrophobicContact CB-CB 3.69Å; C4-C64 WeakPolarHBondContact CB-SG 3.17Å; C4-C64 WeakPolarHBondContact SG-CB 3.42Å; C4-C64 CovalentContact SG-SG 2.03Å; C4-C64 PolarHBondContact SG-SG 2.83Å; C4-N76 CarbonylContact C-O 3.57Å; C4-N76 WeakPolarHBondContact CA-O 3.04Å
5C88.9Confident87.1Confident1 Ų156.1 Ų56.11%0.00728%0.282CS..  trans-112.6174.7-176.6-480000111.8N7 G8 S36 C37 N76 C77 R78C5-N7 PolarHBondContact O-N 3.37Å; C5-N7 VanDerWaalsContact O-N 3.1Å; C5-G8 PolarHBondContact O-N 3.28Å; C5-S36 CarbonylContact C-O 3.47Å; C5-S36 WeakPolarHBondContact CA-O 3.35Å; C5-C37 HydrophobicContact CB-CB 4.04Å; C5-C37 WeakPolarHBondContact CB-SG 3.48Å; C5-C37 WeakPolarHBondContact SG-CB 3.03Å; C5-C37 CovalentContact SG-SG 2.04Å; C5-C37 PolarHBondContact SG-SG 3.15Å; C5-N76 PolarHBondContact N-O 3.03Å; C5-C77 CarbonylContact C-O 3.49Å; C5-C77 VanDerWaalsContact C-O 3.23Å; C5-C77 WeakPolarHBondContact O-CB 3.11Å; C5-R78 HydrophobicContact CB-CG 3.84Å; C5-R78 WeakPolarHBondContact SG-CG 3.45Å
6E85.5Confident86.9Confident52 Ų5253.1 Ų53.124%0.24327%0.268CS..THydrogen-bonded Turntrans46.842.2-176.7-53.6-42.813200114.3G8 S36 P67 M70 C77E6-G8 PolarHBondContact O-N 3.31Å; E6-S36 PolarHBondContact N-O 3.17Å; E6-S36 VanDerWaalsContact N-O 3.11Å; E6-S36 WeakPolarHBondContact OE1-CB 3.02Å; E6-S36 PolarHBondContact OE1-OG 2.95Å; E6-P67 WeakPolarHBondContact O-CD 3.31Å; E6-P67 WeakPolarHBondContact O-CG 3.03Å; E6-M70 HydrophobicContact CB-CE 4.28Å; E6-M70 HydrophobicContact CB-SD 3.88Å; E6-M70 HydrophobicContact CG-SD 4.42Å; E6-C77 WeakPolarHBondContact CB-O 3.05Å; E6-C77 WeakPolarHBondContact CG-O 3.41Å
7N85.2Confident86.8Confident113 Ų11352.7 Ų52.760%0.60427%0.274SS*.THydrogen-bonded Turntrans61.714.5-175.7-57.9-61.8000116.2C5 K38C5-N7 PolarHBondContact O-N 3.37Å; C5-N7 VanDerWaalsContact O-N 3.1Å; N7-K38 PolarHBondContact OD1-NZ 2.82Å
8G88.1Confident86.6Confident1 Ų154.4 Ų54.41%0.0130%0.298CS..  trans-57.2153.6168.200000112.9C4 C5 E6 K65C4-G8 WeakPolarHBondContact CB-O 3.43Å; C5-G8 PolarHBondContact O-N 3.28Å; E6-G8 PolarHBondContact O-N 3.31Å; G8-K65 CarbonylContact C-O 3.57Å; G8-K65 WeakPolarHBondContact CA-O 3.32Å
9H90.4Very high86.6Confident96 Ų9651.7 Ų51.744%0.44428%0.283SS..EExtended strand (participates in β ladder)trans-126.1143.1179.7-127.260.7000110.6E11 Y40 K65H9-E11 PolarHBondContact O-N 3.02Å; H9-Y40 AromaticContact CE1-CE1 3.66Å; H9-Y40 AromaticContact CE1-CZ 3.71Å; H9-Y40 PolarHBondContact CE1-OH 3Å; H9-Y40 AromaticContact ND1-CZ 3.83Å; H9-Y40 PolarHBondContact ND1-OH 2.83Å; H9-K65 PolarHBondContact N-O 2.91Å; H9-K65 PolarHBondContact O-N 2.84Å
10P91.7Very high86.5Confident1 Ų150.6 Ų50.61%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-69.6132175.229.8-35000110.6I2 W23 V25 Y40 V62 R63I2-P10 HydrophobicContact CG2-CB 3.73Å; I2-P10 HydrophobicContact CG2-CG 4.31Å; P10-W23 HydrophobicContact CB-CZ2 4.29Å; P10-W23 WeakPolarHBondContact O-CZ2 3.31Å; P10-V25 HydrophobicContact CG-CG1 3.77Å; P10-Y40 HydrophobicContact CG-CD1 4.3Å; P10-Y40 HydrophobicContact CG-CD2 4.1Å; P10-Y40 HydrophobicContact CG-CG 3.89Å; P10-V62 HydrophobicContact CB-CG1 3.72Å; P10-R63 WeakPolarHBondContact CA-O 3.34Å
11E90.8Very high86.6Confident74 Ų7456.7 Ų56.735%0.34630%0.296SS..EExtended strand (participates in β ladder)trans-131.3153.9167.5-78.4-171.7-169.100109.2H9 R63 K65H9-E11 PolarHBondContact O-N 3.02Å; E11-R63 PolarHBondContact N-O 2.96Å; E11-R63 PolarHBondContact O-N 2.77Å; E11-R63 VanDerWaalsContact O-O 3.08Å; E11-K65 HydrophobicContact CG-CB 4.47Å; E11-K65 HydrophobicContact CG-CD 4.18Å; E11-K65 WeakPolarHBondContact OE1-CD 3.49Å; E11-K65 WeakPolarHBondContact OE1-CE 3.18Å; E11-K65 IonicContact OE1-NZ 3.53Å; E11-K65 PolarHBondContact OE1-NZ 3.04Å; E11-K65 WeakPolarHBondContact OE2-CD 3.04Å; E11-K65 IonicContact OE2-NZ 2.68Å; E11-K65 PolarHBondContact OE2-NZ 3.03Å
12P87.5Confident86.8Confident21 Ų2152.7 Ų52.714%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-59.6148.3169.926-34000110.9I16 A17 V20 W23P12-I16 HydrophobicContact CB-CD1 4.16Å; P12-I16 HydrophobicContact CB-CG1 3.98Å; P12-A17 HydrophobicContact CB-CB 4.39Å; P12-A17 HydrophobicContact CG-CB 4.05Å; P12-V20 HydrophobicContact CB-CG2 3.84Å; P12-V20 HydrophobicContact CG-CG2 4.18Å; P12-W23 HydrophobicContact CB-CE3 4.49Å; P12-W23 HydrophobicContact CB-CZ3 4.15Å; P12-W23 HydrophobicContact CG-CE3 4.34Å; P12-W23 HydrophobicContact CG-CZ3 4.38Å
13D85.8Confident86.8Confident35 Ų3555.2 Ų55.219%0.18728%0.283CS..  trans-64.1154.1176.2-138.4-34.1000112D15 I16 A17 S61 R63D13-D15 PolarHBondContact O-N 2.81Å; D13-D15 VanDerWaalsContact O-N 3.15Å; D13-I16 HydrophobicContact CB-CG1 4.3Å; D13-I16 WeakPolarHBondContact O-CG1 3.41Å; D13-I16 PolarHBondContact O-N 3.23Å; D13-A17 WeakPolarHBondContact O-CB 3.4Å; D13-A17 PolarHBondContact O-N 2.81Å; D13-S61 WeakPolarHBondContact CB-OG 3.46Å; D13-S61 PolarHBondContact N-O 3.33Å; D13-S61 VanDerWaalsContact N-O 3.17Å; D13-S61 PolarHBondContact OD2-OG 3.34Å; D13-R63 VanDerWaalsContact OD1-CD 3.31Å; D13-R63 WeakPolarHBondContact OD1-CD 3.34Å; D13-R63 IonicContact OD1-CZ 3.67Å; D13-R63 IonicContact OD1-NE 2.77Å; D13-R63 IonicContact OD1-NH1 3.79Å; D13-R63 PolarHBondContact OD1-NH1 3.05Å
14E83.9Confident86.9Confident142 Ų14255.3 Ų55.366%0.66428%0.284SS*.Hα-helixtrans-56.6-35.9-175.9-87.7161.6-126.600112.8I16 R63E14-I16 PolarHBondContact O-N 2.83Å; E14-R63 IonicContact OE1-CZ 3.52Å; E14-R63 VanDerWaalsContact OE1-CZ 3.27Å; E14-R63 IonicContact OE1-NH1 3.59Å; E14-R63 PolarHBondContact OE1-NH1 2.95Å; E14-R63 IonicContact OE1-NH2 2.81Å; E14-R63 PolarHBondContact OE1-NH2 3.36Å
15D81.4Confident86.9Confident68 Ų6857.6 Ų57.636%0.36430%0.297SS..Hα-helixtrans-60.6-24.6176.9-69.4-48.4000114.5D13 P52 R54D13-D15 PolarHBondContact O-N 2.81Å; D13-D15 VanDerWaalsContact O-N 3.15Å; D15-P52 WeakPolarHBondContact O-CD 3.08Å; D15-R54 IonicContact OD1-CZ 3.49Å; D15-R54 IonicContact OD1-NH1 3.8Å; D15-R54 IonicContact OD1-NH2 2.82Å; D15-R54 PolarHBondContact OD1-NH2 3.49Å; D15-R54 IonicContact OD2-CZ 3.13Å; D15-R54 IonicContact OD2-NH1 2.73Å; D15-R54 PolarHBondContact OD2-NH1 2.74Å; D15-R54 IonicContact OD2-NH2 2.75Å; D15-R54 PolarHBondContact OD2-NH2 2.99Å
16I83.7Confident87Confident9 Ų963.8 Ų63.85%0.04633%0.326CS..Hα-helixtrans-121.1-17.7-173.268.7167.6000113P12 D13 E14 A18 A19 V20 Y44 L51 L60 S61P12-I16 HydrophobicContact CB-CD1 4.16Å; P12-I16 HydrophobicContact CB-CG1 3.98Å; D13-I16 HydrophobicContact CB-CG1 4.3Å; D13-I16 WeakPolarHBondContact O-CG1 3.41Å; D13-I16 PolarHBondContact O-N 3.23Å; E14-I16 PolarHBondContact O-N 2.83Å; I16-A18 PolarHBondContact O-N 3.44Å; I16-A19 WeakPolarHBondContact O-CA 3.31Å; I16-A19 WeakPolarHBondContact O-CB 3.43Å; I16-A19 PolarHBondContact O-N 3.17Å; I16-V20 PolarHBondContact O-N 2.84Å; I16-V20 VanDerWaalsContact O-N 3.17Å; I16-Y44 HydrophobicContact CD1-CE2 3.99Å; I16-L51 HydrophobicContact CB-CD2 4.43Å; I16-L51 HydrophobicContact CG2-CD2 4.02Å; I16-L60 HydrophobicContact CD1-CB 4.35Å; I16-L60 HydrophobicContact CG2-CD2 3.72Å; I16-S61 VanDerWaalsContact CD1-O 3.32Å; I16-S61 WeakPolarHBondContact CD1-O 3.4Å
17A84.6Confident87Confident46 Ų4668.3 Ų68.338%0.3834%0.341SS..Hα-helixtrans-55-36.9-175.600000113.3P12 D13 A19P12-A17 HydrophobicContact CB-CB 4.39Å; P12-A17 HydrophobicContact CG-CB 4.05Å; D13-A17 WeakPolarHBondContact O-CB 3.4Å; D13-A17 PolarHBondContact O-N 2.81Å; A17-A19 PolarHBondContact O-N 3.35Å
18A84.3Confident87.1Confident84 Ų8465.3 Ų65.369%0.69433%0.327SS*.THydrogen-bonded Turntrans-72.4-12.9176.200000114.6I16 Q50I16-A18 PolarHBondContact O-N 3.44Å; A18-Q50 PolarHBondContact O-NE2 2.68Å; A18-Q50 VanDerWaalsContact O-NE2 3.12Å
19A85.1Confident86.6Confident2 Ų274.3 Ų74.32%0.01737%0.368CS..THydrogen-bonded Turntrans-103.5-15.2178.200000113.3I16 A17 R21 I46 S47 Q50 L51I16-A19 WeakPolarHBondContact O-CA 3.31Å; I16-A19 WeakPolarHBondContact O-CB 3.43Å; I16-A19 PolarHBondContact O-N 3.17Å; A17-A19 PolarHBondContact O-N 3.35Å; A19-R21 PolarHBondContact O-N 3.13Å; A19-I46 HydrophobicContact CB-CG2 3.74Å; A19-S47 PolarHBondContact O-N 2.03Å; A19-Q50 HydrophobicContact CB-CB 3.84Å; A19-L51 HydrophobicContact CB-CD2 4.05Å; A19-L51 HydrophobicContact CB-CG 4.14Å
20V86.5Confident85.6Confident29 Ų2973 Ų7318%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-70.2124.4175.7179.60000110.1P12 I16 E22 W23 Y44P12-V20 HydrophobicContact CB-CG2 3.84Å; P12-V20 HydrophobicContact CG-CG2 4.18Å; I16-V20 PolarHBondContact O-N 2.84Å; I16-V20 VanDerWaalsContact O-N 3.17Å; V20-E22 VanDerWaalsContact CG1-O 3.25Å; V20-E22 WeakPolarHBondContact CG1-O 3.48Å; V20-W23 HydrophobicContact CG1-CB 4.24Å; V20-W23 HydrophobicContact CG1-CE3 4.32Å; V20-Y44 HydrophobicContact CG1-CD2 4.5Å; V20-Y44 HydrophobicContact CG2-CD2 3.94Å; V20-Y44 HydrophobicContact CG2-CE2 4.46Å
21R87.2Confident84.2Confident179 Ų17979.1 Ų79.168%0.67540%0.398SS*.EExtended strand (participates in β ladder)trans-102.2-24.8177.9-68.3-171.2172177.10.6113.7A19 N45 S47A19-R21 PolarHBondContact O-N 3.13Å; R21-N45 PolarHBondContact N-O 2.94Å; R21-S47 PolarHBondContact NH2-OG 2.79Å
22E87.3Confident82.9Confident81 Ų8178.7 Ų78.738%0.37941%0.413SS..EExtended strand (participates in β ladder)trans-143.8135.8-178.1-172.3178.6-17500108.1V20 V24 Y44 N45V20-E22 VanDerWaalsContact CG1-O 3.25Å; V20-E22 WeakPolarHBondContact CG1-O 3.48Å; E22-V24 HydrophobicContact CG-CG2 4.25Å; E22-Y44 CarbonylContact O-C 3.4Å; E22-Y44 WeakPolarHBondContact O-CA 3.11Å; E22-Y44 VanDerWaalsContact O-CB 3.31Å; E22-Y44 WeakPolarHBondContact O-CB 3.3Å; E22-N45 HydrophobicContact CB-CB 4.07Å; E22-N45 PolarHBondContact O-N 3.38Å; E22-N45 PolarHBondContact OE2-ND2 2.79Å
23W87.6Confident81.8Confident85 Ų8586 Ų8632%0.32244%0.438SS..EExtended strand (participates in β ladder)trans-140.3102.3-175-180-101.8000108.6P10 P12 V20 V25 Y44 V62P10-W23 HydrophobicContact CB-CZ2 4.29Å; P10-W23 WeakPolarHBondContact O-CZ2 3.31Å; P12-W23 HydrophobicContact CB-CE3 4.49Å; P12-W23 HydrophobicContact CB-CZ3 4.15Å; P12-W23 HydrophobicContact CG-CE3 4.34Å; P12-W23 HydrophobicContact CG-CZ3 4.38Å; V20-W23 HydrophobicContact CG1-CB 4.24Å; V20-W23 HydrophobicContact CG1-CE3 4.32Å; W23-V25 HydrophobicContact CD2-CG2 4.22Å; W23-V25 VanDerWaalsContact CE2-CG2 3.48Å; W23-V25 HydrophobicContact CH2-CG2 4.24Å; W23-V25 HydrophobicContact CZ2-CG2 3.51Å; W23-Y44 VanDerWaalsContact CE3-CB 3.5Å; W23-Y44 HydrophobicContact CE3-CD1 4.45Å; W23-Y44 AromaticContact CE3-CG 3.97Å; W23-Y44 HydrophobicContact CE3-CG 3.97Å; W23-Y44 AromaticContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD2 4.38Å; W23-Y44 AromaticContact CZ3-CG 3.81Å; W23-Y44 HydrophobicContact CZ3-CG 3.81Å; W23-V62 HydrophobicContact CH2-CB 4.31Å; W23-V62 HydrophobicContact CH2-CG1 3.67Å; W23-V62 HydrophobicContact CH2-CG2 3.67Å; W23-V62 HydrophobicContact CZ2-CG1 4.33Å; W23-V62 HydrophobicContact CZ3-CG2 3.96Å
24V89.3Confident81.1Confident42 Ų4290 Ų9026%0.25545%0.454SS..EExtended strand (participates in β ladder)trans-117.5115.2-179.91790000108.2E22 G42 Y43E22-V24 HydrophobicContact CG-CG2 4.25Å; V24-G42 CarbonylContact O-C 3.53Å; V24-G42 WeakPolarHBondContact O-CA 3.19Å; V24-Y43 HydrophobicContact CB-CD1 4.14Å; V24-Y43 HydrophobicContact CB-CE1 3.73Å; V24-Y43 HydrophobicContact CB-CE2 4.15Å; V24-Y43 HydrophobicContact CG1-CD1 4.35Å; V24-Y43 HydrophobicContact CG1-CE1 3.72Å; V24-Y43 HydrophobicContact CG2-CE1 4.22Å; V24-Y43 HydrophobicContact CG2-CE2 3.99Å; V24-Y43 PolarHBondContact N-O 3.15Å; V24-Y43 PolarHBondContact O-N 2.81Å; V24-Y43 VanDerWaalsContact O-O 3.14Å
25V90.1Very high80.4Confident48 Ų4888.4 Ų88.429%0.29147%0.465SS..EExtended strand (participates in β ladder)trans-131.6131.1179.5175.30000110.2P10 W23 Y40 T41P10-V25 HydrophobicContact CG-CG1 3.77Å; W23-V25 HydrophobicContact CD2-CG2 4.22Å; W23-V25 VanDerWaalsContact CE2-CG2 3.48Å; W23-V25 HydrophobicContact CH2-CG2 4.24Å; W23-V25 HydrophobicContact CZ2-CG2 3.51Å; V25-Y40 HydrophobicContact CG1-CD1 3.84Å; V25-Y40 HydrophobicContact CG1-CG 4.2Å; V25-T41 WeakPolarHBondContact CA-O 3.49Å
26E90.6Very high80.5Confident131 Ų13187.5 Ų87.561%0.61246%0.464SS*.EExtended strand (participates in β ladder)trans-117.7144.7176.9-62.7179.3163.200109.2Y40 T41E26-Y40 WeakPolarHBondContact O-CA 3.46Å; E26-T41 HydrophobicContact CB-CG2 4.44Å; E26-T41 PolarHBondContact N-O 3.17Å; E26-T41 PolarHBondContact O-N 2.83Å; E26-T41 VanDerWaalsContact O-O 3.12Å
27R87Confident80.6Confident148 Ų14887.8 Ų87.856%0.55847%0.467SS*.EExtended strand (participates in β ladder)trans-79.7129.7171.6-177.2-179.9-62.1134.17.6108.6Y40R27-Y40 HydrophobicContact CB-CD1 4.11Å; R27-Y40 HydrophobicContact CB-CE1 3.97Å; R27-Y40 HydrophobicContact CG-CE1 4.26Å
28V87.2Confident80.8Confident49 Ų4988.6 Ų88.630%0.29746%0.462SS..EExtended strand (participates in β ladder)trans-85.1138.6168.4-177.40000107.8M1 D30 S39 T41M1-V28 HydrophobicContact CE-CB 4.47Å; M1-V28 HydrophobicContact CE-CG1 4.38Å; V28-D30 PolarHBondContact O-N 2.93Å; V28-S39 PolarHBondContact N-O 2.73Å; V28-S39 PolarHBondContact O-OG 2.89Å; V28-T41 HydrophobicContact CG2-CG2 3.64Å
29E77Confident81Confident190 Ų19084.6 Ų84.689%0.88843%0.429SS*.PPolyproline II helixtrans-69.3121.1171-62.3-168143.600108.7
30D68.4Low81.3Confident69 Ų6984.8 Ų84.837%0.36943%0.429SS..PPolyproline II helixtrans-92.5154.6-175.9-168.517.7000110.9V28 G32V28-D30 PolarHBondContact O-N 2.93Å; D30-G32 PolarHBondContact O-N 2.96Å
31D62.4Low81.4Confident130 Ų13086.4 Ų86.470%0.69544%0.439SS*.  trans-67.321.7-175.5-78.2-19.1000114R33D31-R33 PolarHBondContact O-N 3.12Å; D31-R33 IonicContact OD2-NH2 3.27Å; D31-R33 PolarHBondContact OD2-NH2 2.95Å
32G64.5Low81.5Confident65 Ų6580.2 Ų80.267%0.6743%0.431SS*.SBendtrans64.33.9-175.800000114.9D30 F34D30-G32 PolarHBondContact O-N 2.96Å; G32-F34 VanDerWaalsContact C-N 3.32Å; G32-F34 PolarHBondContact O-N 3Å
33R65Low81.5Confident174 Ų17482.5 Ų82.566%0.65744%0.437SS*.SBendtrans-71.6-23.2-165.9-159.3175.3-57-165.58.5114.1D31D31-R33 PolarHBondContact O-N 3.12Å; D31-R33 IonicContact OD2-NH2 3.27Å; D31-R33 PolarHBondContact OD2-NH2 2.95Å
34F69.1Low81.5Confident118 Ų11881.2 Ų81.252%0.51843%0.432SS..SBendtrans-13991.8-179.2-62.7-74.9000110.8G32 S36 C37G32-F34 VanDerWaalsContact C-N 3.32Å; G32-F34 PolarHBondContact O-N 3Å; F34-S36 PolarHBondContact O-N 2.81Å; F34-C37 HydrophobicContact CB-CB 3.73Å; F34-C37 PolarHBondContact O-N 2.85Å
35A70.8Confident81.4Confident110 Ų11083.2 Ų83.291%0.90944%0.442SS*.THydrogen-bonded Turntrans-57.9-23.2-167.700000116.6
36S82.3Confident81.1Confident49 Ų4983.1 Ų83.134%0.34344%0.439SS..THydrogen-bonded Turntrans-97.7-6.3175.468.30000114.4C5 E6 F34C5-S36 CarbonylContact C-O 3.47Å; C5-S36 WeakPolarHBondContact CA-O 3.35Å; E6-S36 PolarHBondContact N-O 3.17Å; E6-S36 VanDerWaalsContact N-O 3.11Å; E6-S36 WeakPolarHBondContact OE1-CB 3.02Å; E6-S36 PolarHBondContact OE1-OG 2.95Å; F34-S36 PolarHBondContact O-N 2.81Å
37C86.9Confident80.8Confident15 Ų1577.3 Ų77.310%0.10141%0.413CS..  trans-96.5147.3179.1-630000112.1T3 C5 F34T3-C37 HydrophobicContact CG2-CB 3.92Å; C5-C37 HydrophobicContact CB-CB 4.04Å; C5-C37 WeakPolarHBondContact CB-SG 3.48Å; C5-C37 WeakPolarHBondContact SG-CB 3.03Å; C5-C37 CovalentContact SG-SG 2.04Å; C5-C37 PolarHBondContact SG-SG 3.15Å; F34-C37 HydrophobicContact CB-CB 3.73Å; F34-C37 PolarHBondContact O-N 2.85Å
38K88.4Confident80.5Confident62 Ų6276.1 Ų76.127%0.2742%0.422SS..EExtended strand (participates in β ladder)trans-134.4128.6177-70.5156.4-170.6169.30108.1T3 C4 N7 Y40T3-K38 WeakPolarHBondContact CA-O 3.45Å; C4-K38 PolarHBondContact N-O 2.75Å; C4-K38 PolarHBondContact O-N 3.22Å; N7-K38 PolarHBondContact OD1-NZ 2.82Å; K38-Y40 HydrophobicContact CB-CE2 3.7Å; K38-Y40 VanDerWaalsContact O-CD2 3.31Å; K38-Y40 WeakPolarHBondContact O-CD2 3.39Å; K38-Y40 VanDerWaalsContact O-CE2 3.3Å; K38-Y40 WeakPolarHBondContact O-CE2 3.4Å
39S88.8Confident80.1Confident1 Ų178.4 Ų78.41%0.00745%0.446CS..EExtended strand (participates in β ladder)trans-91.9146.2176.356.70000110.9V28V28-S39 PolarHBondContact N-O 2.73Å; V28-S39 PolarHBondContact O-OG 2.89Å
40Y89.9Confident80.1Confident6 Ų673.8 Ų73.82%0.02442%0.424CS..EExtended strand (participates in β ladder)trans-135.5140.6-173.8-63.5-84.6000110.5M1 I2 C4 H9 P10 V25 E26 R27 K38M1-Y40 CarbonylContact C-O 3.34Å; M1-Y40 WeakPolarHBondContact CA-O 3.16Å; M1-Y40 WeakPolarHBondContact CG-O 3.31Å; I2-Y40 PolarHBondContact N-O 2.73Å; I2-Y40 PolarHBondContact O-N 2.92Å; C4-Y40 HydrophobicContact CB-CD2 4.44Å; C4-Y40 HydrophobicContact CB-CE2 4.11Å; H9-Y40 AromaticContact CE1-CE1 3.66Å; H9-Y40 AromaticContact CE1-CZ 3.71Å; H9-Y40 PolarHBondContact CE1-OH 3Å; H9-Y40 AromaticContact ND1-CZ 3.83Å; H9-Y40 PolarHBondContact ND1-OH 2.83Å; P10-Y40 HydrophobicContact CG-CD1 4.3Å; P10-Y40 HydrophobicContact CG-CD2 4.1Å; P10-Y40 HydrophobicContact CG-CG 3.89Å; V25-Y40 HydrophobicContact CG1-CD1 3.84Å; V25-Y40 HydrophobicContact CG1-CG 4.2Å; E26-Y40 WeakPolarHBondContact O-CA 3.46Å; R27-Y40 HydrophobicContact CB-CD1 4.11Å; R27-Y40 HydrophobicContact CB-CE1 3.97Å; R27-Y40 HydrophobicContact CG-CE1 4.26Å; K38-Y40 HydrophobicContact CB-CE2 3.7Å; K38-Y40 VanDerWaalsContact O-CD2 3.31Å; K38-Y40 WeakPolarHBondContact O-CD2 3.39Å; K38-Y40 VanDerWaalsContact O-CE2 3.3Å; K38-Y40 WeakPolarHBondContact O-CE2 3.4Å
41T90.3Very high80.3Confident63 Ų6372.8 Ų72.839%0.38742%0.419SS..EExtended strand (participates in β ladder)trans-125.4162.9171.7-161.70000109.3V25 E26 V28V25-T41 WeakPolarHBondContact CA-O 3.49Å; E26-T41 HydrophobicContact CB-CG2 4.44Å; E26-T41 PolarHBondContact N-O 3.17Å; E26-T41 PolarHBondContact O-N 2.83Å; E26-T41 VanDerWaalsContact O-O 3.12Å; V28-T41 HydrophobicContact CG2-CG2 3.64Å
42G87.7Confident80.6Confident48 Ų4869.5 Ų69.550%0.49540%0.404SS..EExtended strand (participates in β ladder)trans164.4176.7-173.700000113.7V24V24-G42 CarbonylContact O-C 3.53Å; V24-G42 WeakPolarHBondContact O-CA 3.19Å
43Y88.9Confident80.6Confident130 Ų13073 Ų7351%0.5142%0.415SS..EExtended strand (participates in β ladder)trans-138157.7175.164.7-88.3000109.9V24V24-Y43 HydrophobicContact CB-CD1 4.14Å; V24-Y43 HydrophobicContact CB-CE1 3.73Å; V24-Y43 HydrophobicContact CB-CE2 4.15Å; V24-Y43 HydrophobicContact CG1-CD1 4.35Å; V24-Y43 HydrophobicContact CG1-CE1 3.72Å; V24-Y43 HydrophobicContact CG2-CE1 4.22Å; V24-Y43 HydrophobicContact CG2-CE2 3.99Å; V24-Y43 PolarHBondContact N-O 3.15Å; V24-Y43 PolarHBondContact O-N 2.81Å; V24-Y43 VanDerWaalsContact O-O 3.14Å
44Y87.2Confident80.5Confident57 Ų5771.3 Ų71.322%0.22441%0.409CS..EExtended strand (participates in β ladder)trans-149.6138179.666.1-81.3000110.5I16 V20 E22 W23 I46 L60 V62I16-Y44 HydrophobicContact CD1-CE2 3.99Å; V20-Y44 HydrophobicContact CG1-CD2 4.5Å; V20-Y44 HydrophobicContact CG2-CD2 3.94Å; V20-Y44 HydrophobicContact CG2-CE2 4.46Å; E22-Y44 CarbonylContact O-C 3.4Å; E22-Y44 WeakPolarHBondContact O-CA 3.11Å; E22-Y44 VanDerWaalsContact O-CB 3.31Å; E22-Y44 WeakPolarHBondContact O-CB 3.3Å; W23-Y44 VanDerWaalsContact CE3-CB 3.5Å; W23-Y44 HydrophobicContact CE3-CD1 4.45Å; W23-Y44 AromaticContact CE3-CG 3.97Å; W23-Y44 HydrophobicContact CE3-CG 3.97Å; W23-Y44 AromaticContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD2 4.38Å; W23-Y44 AromaticContact CZ3-CG 3.81Å; W23-Y44 HydrophobicContact CZ3-CG 3.81Å; Y44-I46 HydrophobicContact CD2-CD1 4.09Å; Y44-I46 HydrophobicContact CD2-CG1 3.71Å; Y44-I46 HydrophobicContact CE2-CD1 3.42Å; Y44-I46 VanDerWaalsContact CE2-CD1 3.42Å; Y44-I46 HydrophobicContact CE2-CG1 3.59Å; Y44-L60 VanDerWaalsContact OH-CB 3.31Å; Y44-L60 WeakPolarHBondContact OH-CB 3.46Å; Y44-L60 PolarHBondContact OH-O 2.85Å; Y44-V62 HydrophobicContact CD1-CG2 4.41Å; Y44-V62 HydrophobicContact CE1-CG2 3.89Å
45N86.9Confident80Confident85 Ų8575.6 Ų75.646%0.45543%0.43SS..EExtended strand (participates in β ladder)trans-102.5128.2-177.8-76.6-47.3000110.5R21 E22R21-N45 PolarHBondContact N-O 2.94Å; E22-N45 HydrophobicContact CB-CB 4.07Å; E22-N45 PolarHBondContact O-N 3.38Å; E22-N45 PolarHBondContact OE2-ND2 2.79Å
46I84.2Confident79.2Confident45 Ų4578.5 Ų78.523%0.23142%0.423CS..EExtended strand (participates in β ladder)trans-111.4134-172.1-40175.1000110A19 Y44 V48 L51 L60A19-I46 HydrophobicContact CB-CG2 3.74Å; Y44-I46 HydrophobicContact CD2-CD1 4.09Å; Y44-I46 HydrophobicContact CD2-CG1 3.71Å; Y44-I46 HydrophobicContact CE2-CD1 3.42Å; Y44-I46 VanDerWaalsContact CE2-CD1 3.42Å; Y44-I46 HydrophobicContact CE2-CG1 3.59Å; I46-V48 PolarHBondContact O-N 2.85Å; I46-L51 HydrophobicContact CG2-CD1 4.02Å; I46-L51 HydrophobicContact CG2-CD2 3.93Å; I46-L51 HydrophobicContact CG2-CG 3.91Å; I46-L60 HydrophobicContact CD1-CB 4.26Å; I46-L60 HydrophobicContact CD1-CD1 3.88Å; I46-L60 HydrophobicContact CD1-CD2 3.94Å; I46-L60 HydrophobicContact CD1-CG 4.23Å
47S84.8Confident77.7Confident10 Ų1085.8 Ų85.87%0.0745%0.448CS..  trans-81.8107.2170.6-169.20000111.1A19 R21 A49 Q50 L51A19-S47 PolarHBondContact O-N 2.03Å; R21-S47 PolarHBondContact NH2-OG 2.79Å; S47-A49 PolarHBondContact O-N 3.48Å; S47-A49 VanDerWaalsContact O-N 3.15Å; S47-Q50 PolarHBondContact O-N 3.41Å; S47-Q50 PolarHBondContact OG-OE1 2.66Å; S47-L51 PolarHBondContact O-N 3.35Å
48V80.2Confident76.2Confident123 Ų12387.6 Ų87.675%0.74547%0.47SS*.G310 helixtrans-56-31.2174.9-1760000111.8I46 Q50I46-V48 PolarHBondContact O-N 2.85Å; V48-Q50 PolarHBondContact O-N 2.93Å
49A78.7Confident75Confident96 Ų9693.6 Ų93.679%0.79350%0.499SS*.G310 helixtrans-73.6-5.2176.600000114.8S47S47-A49 PolarHBondContact O-N 3.48Å; S47-A49 VanDerWaalsContact O-N 3.15Å
50Q75.8Confident74.1Confident93 Ų9396.9 Ų96.944%0.43552%0.516SS..G310 helixtrans-119.6-2.7179.2-62171-111.800112.5A18 A19 S47 V48A18-Q50 PolarHBondContact O-NE2 2.68Å; A18-Q50 VanDerWaalsContact O-NE2 3.12Å; A19-Q50 HydrophobicContact CB-CB 3.84Å; S47-Q50 PolarHBondContact O-N 3.41Å; S47-Q50 PolarHBondContact OG-OE1 2.66Å; V48-Q50 PolarHBondContact O-N 2.93Å
51L74.1Confident73.5Confident49 Ų4998.9 Ų98.926%0.25753%0.53SS..SBendtrans-72.7137.1174.6-80.8171.7000110.6I16 A19 I46 S47 L60I16-L51 HydrophobicContact CB-CD2 4.43Å; I16-L51 HydrophobicContact CG2-CD2 4.02Å; A19-L51 HydrophobicContact CB-CD2 4.05Å; A19-L51 HydrophobicContact CB-CG 4.14Å; I46-L51 HydrophobicContact CG2-CD1 4.02Å; I46-L51 HydrophobicContact CG2-CD2 3.93Å; I46-L51 HydrophobicContact CG2-CG 3.91Å; S47-L51 PolarHBondContact O-N 3.35Å; L51-L60 HydrophobicContact CD1-CD2 4.41Å; L51-L60 HydrophobicContact CD2-CD2 4Å
52P67.8Low73.4Confident60 Ų6098 Ų9839%0.3953%0.525SS..  trans-66.2144.4173.528.2-34000110.6D15 R54D15-P52 WeakPolarHBondContact O-CD 3.08Å; P52-R54 PolarHBondContact O-N 3Å
53P65.6Low73.4Confident139 Ų13999.3 Ų99.390%0.90352%0.515SS*.  trans-68.199.7179.727.8-34.2000110.6
54R62.4Low73.5Confident138 Ų13893.6 Ų93.652%0.52149%0.494SS..  trans-107122.2175.2-77.5-170.2156.4172-1.6111.2D15 P52 K56D15-R54 IonicContact OD1-CZ 3.49Å; D15-R54 IonicContact OD1-NH1 3.8Å; D15-R54 IonicContact OD1-NH2 2.82Å; D15-R54 PolarHBondContact OD1-NH2 3.49Å; D15-R54 IonicContact OD2-CZ 3.13Å; D15-R54 IonicContact OD2-NH1 2.73Å; D15-R54 PolarHBondContact OD2-NH1 2.74Å; D15-R54 IonicContact OD2-NH2 2.75Å; D15-R54 PolarHBondContact OD2-NH2 2.99Å; P52-R54 PolarHBondContact O-N 3Å; R54-K56 PolarHBondContact O-N 2.75Å; R54-K56 VanDerWaalsContact O-N 3.13Å
55E58.4Low73.6Confident208 Ų20896 Ų9697%0.97251%0.505SS*.SBendtrans-65.3-10.7172.6-60.3-174.6136.100113.5
56K53.2Low73.7Confident172 Ų17294.1 Ų94.175%0.74850%0.498SS*.SBendtrans-120.3114.9169.9-62.8-176.5-177179.80108.6R54 G58R54-K56 PolarHBondContact O-N 2.75Å; R54-K56 VanDerWaalsContact O-N 3.13Å; K56-G58 PolarHBondContact O-N 3.34Å
57F51.5Low73.9Confident201 Ų20194 Ų9488%0.88250%0.501SS*.  trans-67.173.8157-79.3-91.1000108.6
58G54.7Low73.7Confident53 Ų5398.8 Ų98.855%0.54654%0.54SS..  trans-60.2138.915800000108.2K56 L60K56-G58 PolarHBondContact O-N 3.34Å; G58-L60 PolarHBondContact O-N 2.04Å
59E63.7Low73.7Confident189 Ų18996.9 Ų96.988%0.88355%0.546SS*.  trans-50.6123.5176.8-170.6170.4-15400109.7S61E59-S61 PolarHBondContact O-N 2.93Å
60L70.8Confident73.4Confident70 Ų7096.8 Ų96.837%0.36653%0.53SS..  trans-66105.9-170.7-66.9135.9000108.7I16 Y44 I46 L51 G58I16-L60 HydrophobicContact CD1-CB 4.35Å; I16-L60 HydrophobicContact CG2-CD2 3.72Å; Y44-L60 VanDerWaalsContact OH-CB 3.31Å; Y44-L60 WeakPolarHBondContact OH-CB 3.46Å; Y44-L60 PolarHBondContact OH-O 2.85Å; I46-L60 HydrophobicContact CD1-CB 4.26Å; I46-L60 HydrophobicContact CD1-CD1 3.88Å; I46-L60 HydrophobicContact CD1-CD2 3.94Å; I46-L60 HydrophobicContact CD1-CG 4.23Å; L51-L60 HydrophobicContact CD1-CD2 4.41Å; L51-L60 HydrophobicContact CD2-CD2 4Å; G58-L60 PolarHBondContact O-N 2.04Å
61S77Confident73.4Confident47 Ų4797.2 Ų97.233%0.32954%0.54SS..  trans-84.7137.5-162.543.80000113.1D13 I16 E59D13-S61 WeakPolarHBondContact CB-OG 3.46Å; D13-S61 PolarHBondContact N-O 3.33Å; D13-S61 VanDerWaalsContact N-O 3.17Å; D13-S61 PolarHBondContact OD2-OG 3.34Å; I16-S61 VanDerWaalsContact CD1-O 3.32Å; I16-S61 WeakPolarHBondContact CD1-O 3.4Å; E59-S61 PolarHBondContact O-N 2.93Å
62V87.2Confident73.6Confident44 Ų4497.7 Ų97.727%0.26754%0.542SS..EExtended strand (participates in β ladder)trans-101.6137.3159.2176.50000107.2I2 P10 W23 Y44I2-V62 HydrophobicContact CD1-CB 4.31Å; I2-V62 HydrophobicContact CD1-CG1 3.81Å; I2-V62 WeakPolarHBondContact CD1-O 3.25Å; I2-V62 HydrophobicContact CG2-CG1 4.23Å; P10-V62 HydrophobicContact CB-CG1 3.72Å; W23-V62 HydrophobicContact CH2-CB 4.31Å; W23-V62 HydrophobicContact CH2-CG1 3.67Å; W23-V62 HydrophobicContact CH2-CG2 3.67Å; W23-V62 HydrophobicContact CZ2-CG1 4.33Å; W23-V62 HydrophobicContact CZ3-CG2 3.96Å; Y44-V62 HydrophobicContact CD1-CG2 4.41Å; Y44-V62 HydrophobicContact CE1-CG2 3.89Å
63R88.6Confident74.3Confident77 Ų7796.8 Ų96.829%0.29153%0.534SS..EExtended strand (participates in β ladder)trans-125.5155.3179.766.4-176.6-170.4179.123.2110.6P10 E11 D13 E14P10-R63 WeakPolarHBondContact CA-O 3.34Å; E11-R63 PolarHBondContact N-O 2.96Å; E11-R63 PolarHBondContact O-N 2.77Å; E11-R63 VanDerWaalsContact O-O 3.08Å; D13-R63 VanDerWaalsContact OD1-CD 3.31Å; D13-R63 WeakPolarHBondContact OD1-CD 3.34Å; D13-R63 IonicContact OD1-CZ 3.67Å; D13-R63 IonicContact OD1-NE 2.77Å; D13-R63 IonicContact OD1-NH1 3.79Å; D13-R63 PolarHBondContact OD1-NH1 3.05Å; E14-R63 IonicContact OE1-CZ 3.52Å; E14-R63 VanDerWaalsContact OE1-CZ 3.27Å; E14-R63 IonicContact OE1-NH1 3.59Å; E14-R63 PolarHBondContact OE1-NH1 2.95Å; E14-R63 IonicContact OE1-NH2 2.81Å; E14-R63 PolarHBondContact OE1-NH2 3.36Å
64C90.2Very high75.1Confident9 Ų991.9 Ų91.96%0.06150%0.5CS..EExtended strand (participates in β ladder)trans-83.2123.3171.4-60.40000109.7T3 C4 R75 C77T3-C64 PolarHBondContact O-SG 2.84Å; T3-C64 VanDerWaalsContact O-SG 3.41Å; C4-C64 WeakPolarHBondContact CA-SG 3.48Å; C4-C64 HydrophobicContact CB-CB 3.69Å; C4-C64 WeakPolarHBondContact CB-SG 3.17Å; C4-C64 WeakPolarHBondContact SG-CB 3.42Å; C4-C64 CovalentContact SG-SG 2.03Å; C4-C64 PolarHBondContact SG-SG 2.83Å; C64-R75 WeakPolarHBondContact CB-O 3.39Å; C64-R75 PolarHBondContact N-O 3.04Å; C64-C77 WeakPolarHBondContact CB-SG 3.23Å
65K90.9Very high76.1Confident108 Ų10895.4 Ų95.447%0.4751%0.513SS..EExtended strand (participates in β ladder)trans-83.5120.2167.1-179.4171.1-179.6175.70109G8 H9 E11G8-K65 CarbonylContact C-O 3.57Å; G8-K65 WeakPolarHBondContact CA-O 3.32Å; H9-K65 PolarHBondContact N-O 2.91Å; H9-K65 PolarHBondContact O-N 2.84Å; E11-K65 HydrophobicContact CG-CB 4.47Å; E11-K65 HydrophobicContact CG-CD 4.18Å; E11-K65 WeakPolarHBondContact OE1-CD 3.49Å; E11-K65 WeakPolarHBondContact OE1-CE 3.18Å; E11-K65 IonicContact OE1-NZ 3.53Å; E11-K65 PolarHBondContact OE1-NZ 3.04Å; E11-K65 WeakPolarHBondContact OE2-CD 3.04Å; E11-K65 IonicContact OE2-NZ 2.68Å; E11-K65 PolarHBondContact OE2-NZ 3.03Å
66C89.1Confident77.3Confident45 Ų4588 Ų8830%0.30448%0.48SS..PPolyproline II helixtrans-89.8155.1-175.1-49.30000111.6A68 L73 C77C66-A68 PolarHBondContact O-N 3.21Å; C66-L73 HydrophobicContact CB-CD1 3.53Å; C66-C77 WeakPolarHBondContact CA-SG 3.3Å; C66-C77 HydrophobicContact CB-CB 3.81Å; C66-C77 WeakPolarHBondContact CB-SG 3.36Å; C66-C77 PolarHBondContact N-SG 3.21Å; C66-C77 WeakPolarHBondContact SG-CA 3.2Å; C66-C77 WeakPolarHBondContact SG-CB 3.38Å; C66-C77 CovalentContact SG-SG 2.04Å; C66-C77 PolarHBondContact SG-SG 3.41Å
67P87.2Confident79Confident44 Ų4479.8 Ų79.829%0.28645%0.445SS..PPolyproline II helixtrans-62.4136.8176.428.2-37.4000111.3E6 M70E6-P67 WeakPolarHBondContact O-CD 3.31Å; E6-P67 WeakPolarHBondContact O-CG 3.03Å; P67-M70 HydrophobicContact CG-CE 4.04Å; P67-M70 HydrophobicContact CG-CG 4.1Å; P67-M70 HydrophobicContact CG-SD 3.63Å
68A81.8Confident80.6Confident109 Ų10975.4 Ų75.490%0.90142%0.422SS*.THydrogen-bonded Turntrans-64.1138.7173.900000110.8C66C66-A68 PolarHBondContact O-N 3.21Å
69G79Confident82Confident84 Ų8479.5 Ų79.587%0.86642%0.422SS*.THydrogen-bonded Turntrans98.7-10.8179.900000115.2
70M72.6Confident83Confident93 Ų9371.4 Ų71.446%0.45839%0.386SS..  trans-89.2123.7167.1-68.2-170.9-177.100110.7E6 P67 L73E6-M70 HydrophobicContact CB-CE 4.28Å; E6-M70 HydrophobicContact CB-SD 3.88Å; E6-M70 HydrophobicContact CG-SD 4.42Å; P67-M70 HydrophobicContact CG-CE 4.04Å; P67-M70 HydrophobicContact CG-CG 4.1Å; P67-M70 HydrophobicContact CG-SD 3.63Å; M70-L73 HydrophobicContact CB-CD1 3.64Å; M70-L73 HydrophobicContact CB-CG 4.08Å; M70-L73 HydrophobicContact CG-CD1 4.48Å; M70-L73 HydrophobicContact SD-CD1 4.1Å; M70-L73 HydrophobicContact SD-CD2 4.48Å
71T75.4Confident83.8Confident103 Ų10370.4 Ų70.463%0.63238%0.384SS*.  trans-91160.1167.950.90000110.8
72N78.6Confident84.3Confident59 Ų5973.5 Ų73.532%0.31639%0.393SS..SBendtrans57.760.3176.2-41.7-66.6000114.1V80 E82N72-V80 WeakPolarHBondContact CB-O 3.01Å; N72-V80 WeakPolarHBondContact O-CB 3.47Å; N72-V80 PolarHBondContact O-N 2.9Å; N72-E82 WeakPolarHBondContact ND2-CG 3.15Å; N72-E82 PolarHBondContact ND2-OE1 2.84Å
73L81.9Confident84.5Confident41 Ų4172.7 Ų72.722%0.21539%0.389CS..BIsolated β-bridgetrans-113.8149.7171.1-62.8-176.8000111.3C66 M70 C77 R78C66-L73 HydrophobicContact CB-CD1 3.53Å; M70-L73 HydrophobicContact CB-CD1 3.64Å; M70-L73 HydrophobicContact CB-CG 4.08Å; M70-L73 HydrophobicContact CG-CD1 4.48Å; M70-L73 HydrophobicContact SD-CD1 4.1Å; M70-L73 HydrophobicContact SD-CD2 4.48Å; L73-C77 HydrophobicContact CD1-CB 4.42Å; L73-R78 VanDerWaalsContact CA-O 3.31Å; L73-R78 WeakPolarHBondContact CA-O 3.45Å; L73-R78 WeakPolarHBondContact CD2-O 3.37Å
74D83Confident84.7Confident35 Ų3573.1 Ų73.119%0.18740%0.396CS..  trans-82.8-179.5170.676.12.2000112.9N76 C77 R78 V80 L95D74-N76 PolarHBondContact O-N 3.39Å; D74-N76 VanDerWaalsContact O-N 3.09Å; D74-N76 VanDerWaalsContact OD1-CA 3.23Å; D74-N76 WeakPolarHBondContact OD1-CA 3.27Å; D74-N76 WeakPolarHBondContact OD1-CB 3.43Å; D74-N76 PolarHBondContact OD1-N 3.48Å; D74-C77 PolarHBondContact O-N 3.33Å; D74-C77 PolarHBondContact OD1-N 3.49Å; D74-R78 PolarHBondContact N-O 3.16Å; D74-R78 VanDerWaalsContact N-O 3.08Å; D74-R78 WeakPolarHBondContact OD1-CB 3.34Å; D74-R78 PolarHBondContact OD1-N 2.83Å; D74-R78 WeakPolarHBondContact OD2-CD 3.27Å; D74-V80 HydrophobicContact CB-CG2 3.73Å; D74-L95 HydrophobicContact CB-CD1 4.15Å
75R82.5Confident85Confident213 Ų21376.2 Ų76.280%0.80441%0.412SS*.THydrogen-bonded Turntrans-63.3-11.6177-65.6-175.7177.8-173.2-1.1114.4C64C64-R75 WeakPolarHBondContact CB-O 3.39Å; C64-R75 PolarHBondContact N-O 3.04Å
76N85.5Confident84.9Confident52 Ų5274.1 Ų74.128%0.27842%0.421SS..THydrogen-bonded Turntrans-107.49.2176.6-69.889.9000111.7T3 C4 C5 D74 R78T3-N76 PolarHBondContact O-ND2 2.04Å; C4-N76 CarbonylContact C-O 3.57Å; C4-N76 WeakPolarHBondContact CA-O 3.04Å; C5-N76 PolarHBondContact N-O 3.03Å; D74-N76 PolarHBondContact O-N 3.39Å; D74-N76 VanDerWaalsContact O-N 3.09Å; D74-N76 VanDerWaalsContact OD1-CA 3.23Å; D74-N76 WeakPolarHBondContact OD1-CA 3.27Å; D74-N76 WeakPolarHBondContact OD1-CB 3.43Å; D74-N76 PolarHBondContact OD1-N 3.48Å; N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 HydrophobicContact CB-CG 4.44Å; N76-R78 PolarHBondContact O-N 3.09Å
77C87Confident85.1Confident0 Ų072.6 Ų72.60%041%0.414CS..  trans58.830.6-177.4-49.70000114.3C5 E6 C64 C66 L73 D74C5-C77 CarbonylContact C-O 3.49Å; C5-C77 VanDerWaalsContact C-O 3.23Å; C5-C77 WeakPolarHBondContact O-CB 3.11Å; E6-C77 WeakPolarHBondContact CB-O 3.05Å; E6-C77 WeakPolarHBondContact CG-O 3.41Å; C64-C77 WeakPolarHBondContact CB-SG 3.23Å; C66-C77 WeakPolarHBondContact CA-SG 3.3Å; C66-C77 HydrophobicContact CB-CB 3.81Å; C66-C77 WeakPolarHBondContact CB-SG 3.36Å; C66-C77 PolarHBondContact N-SG 3.21Å; C66-C77 WeakPolarHBondContact SG-CA 3.2Å; C66-C77 WeakPolarHBondContact SG-CB 3.38Å; C66-C77 CovalentContact SG-SG 2.04Å; C66-C77 PolarHBondContact SG-SG 3.41Å; L73-C77 HydrophobicContact CD1-CB 4.42Å; D74-C77 PolarHBondContact O-N 3.33Å; D74-C77 PolarHBondContact OD1-N 3.49Å
78R85.8Confident85.2Confident108 Ų10877.4 Ų77.441%0.40843%0.427SS..  trans-81.7144.8169-63.6169.6173171.8-2.5109.7C5 L73 D74 N76 V80C5-R78 HydrophobicContact CB-CG 3.84Å; C5-R78 WeakPolarHBondContact SG-CG 3.45Å; L73-R78 VanDerWaalsContact CA-O 3.31Å; L73-R78 WeakPolarHBondContact CA-O 3.45Å; L73-R78 WeakPolarHBondContact CD2-O 3.37Å; D74-R78 PolarHBondContact N-O 3.16Å; D74-R78 VanDerWaalsContact N-O 3.08Å; D74-R78 WeakPolarHBondContact OD1-CB 3.34Å; D74-R78 PolarHBondContact OD1-N 2.83Å; D74-R78 WeakPolarHBondContact OD2-CD 3.27Å; N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 HydrophobicContact CB-CG 4.44Å; N76-R78 PolarHBondContact O-N 3.09Å; R78-V80 PolarHBondContact O-N 3.32Å
79Y84.6Confident85.5Confident139 Ų13975.2 Ų75.255%0.54540%0.395SS..BIsolated β-bridgetrans-63124.9171.5-178.5-106.1000111.1P81Y79-P81 HydrophobicContact CD1-CG 4.25Å; Y79-P81 HydrophobicContact CE1-CB 4.11Å; Y79-P81 HydrophobicContact CE1-CG 3.92Å
80V84.6Confident85.7Confident20 Ų2072.2 Ų72.212%0.12136%0.361CS..  trans-110.5111.6177175.80000107N72 D74 R78N72-V80 WeakPolarHBondContact CB-O 3.01Å; N72-V80 WeakPolarHBondContact O-CB 3.47Å; N72-V80 PolarHBondContact O-N 2.9Å; D74-V80 HydrophobicContact CB-CG2 3.73Å; R78-V80 PolarHBondContact O-N 3.32Å
81P86.4Confident85.8Confident49 Ų4976.6 Ų76.632%0.31838%0.378SS..PPolyproline II helixtrans-60152.4-177.8-23.532.5000112.8Y79 R89 L107Y79-P81 HydrophobicContact CD1-CG 4.25Å; Y79-P81 HydrophobicContact CE1-CB 4.11Å; Y79-P81 HydrophobicContact CE1-CG 3.92Å; P81-R89 VanDerWaalsContact O-CZ 3.23Å; P81-R89 PolarHBondContact O-NE 3.11Å; P81-R89 PolarHBondContact O-NH2 2.75Å; P81-L107 HydrophobicContact CB-CD1 3.76Å; P81-L107 HydrophobicContact CB-CD2 3.86Å; P81-L107 HydrophobicContact CB-CG 4.5Å; P81-L107 HydrophobicContact CG-CD1 4.29Å; P81-L107 HydrophobicContact CG-CD2 4.42Å
82E88.2Confident85.9Confident112 Ų11277.2 Ų77.252%0.52339%0.387SS..PPolyproline II helixtrans-69.9152.8175.2-64.1-175.316600111.3N72N72-E82 WeakPolarHBondContact ND2-CG 3.15Å; N72-E82 PolarHBondContact ND2-OE1 2.84Å
83C91.7Very high85.6Confident27 Ų2778.3 Ų78.318%0.18239%0.391CS..PPolyproline II helixtrans-81.8131.6173.1-53.30000109.3G87 R89 C97C83-G87 WeakPolarHBondContact CB-O 3.5Å; C83-R89 WeakPolarHBondContact SG-CG 3.35Å; C83-C97 VanDerWaalsContact CA-SG 3.56Å; C83-C97 HydrophobicContact CB-CB 3.92Å; C83-C97 WeakPolarHBondContact CB-SG 3.15Å; C83-C97 VanDerWaalsContact SG-CA 3.56Å; C83-C97 WeakPolarHBondContact SG-CB 3.47Å; C83-C97 CovalentContact SG-SG 2.03Å; C83-C97 PolarHBondContact SG-SG 2.89Å
84L93.7Very high85.3Confident85 Ų8582.1 Ų82.145%0.44541%0.412SS..PPolyproline II helixtrans-83.2170.7179.2-54.6-179.6000111.2G86 G87 L107 C108 E109L84-G86 PolarHBondContact O-N 3.02Å; L84-G87 PolarHBondContact O-N 2.58Å; L84-L107 WeakPolarHBondContact CB-O 3.35Å; L84-L107 PolarHBondContact N-O 3.47Å; L84-C108 WeakPolarHBondContact O-CB 3.23Å; L84-E109 HydrophobicContact CD1-CB 4.06Å
85N94.8Very high85.1Confident74 Ų7483 Ų8340%0.39642%0.416SS..THydrogen-bonded Turntrans53.828.3165.5-56.8-49.7000116.1P100 W103 C108N85-P100 VanDerWaalsContact O-CG 3.22Å; N85-P100 WeakPolarHBondContact O-CG 3.31Å; N85-W103 HydrophobicContact CB-CD2 3.54Å; N85-W103 HydrophobicContact CB-CE3 3.9Å; N85-W103 HydrophobicContact CB-CG 3.84Å; N85-W103 HydrophobicContact CB-CH2 4.47Å; N85-W103 HydrophobicContact CB-CZ2 4.15Å; N85-W103 HydrophobicContact CB-CZ3 4.35Å; N85-W103 WeakPolarHBondContact ND2-CZ3 3.46Å; N85-C108 PolarHBondContact ND2-O 3.41Å
86G90.6Very high85.2Confident64 Ų6477.8 Ų77.866%0.6640%0.397SS*.THydrogen-bonded Turntrans83.611.8-179.600000115L84L84-G86 PolarHBondContact O-N 3.02Å
87G92.4Very high85.4Confident14 Ų1476.1 Ų76.114%0.14439%0.389CS..  trans-66156.6167.400000112.7C83 L84 V98C83-G87 WeakPolarHBondContact CB-O 3.5Å; L84-G87 PolarHBondContact O-N 2.58Å; G87-V98 VanDerWaalsContact CA-O 3.24Å; G87-V98 WeakPolarHBondContact CA-O 3.24Å
88Y90.3Very high85.6Confident144 Ų14478.2 Ų78.257%0.56540%0.402SS*.EExtended strand (participates in β ladder)trans-132.9149.4176.266.9-85.8000111V98Y88-V98 HydrophobicContact CD1-CB 4.38Å; Y88-V98 HydrophobicContact CE1-CB 3.95Å; Y88-V98 HydrophobicContact CE1-CG1 3.9Å; Y88-V98 HydrophobicContact CE2-CB 4.15Å; Y88-V98 HydrophobicContact CE2-CG2 4.37Å; Y88-V98 PolarHBondContact N-O 2.96Å; Y88-V98 VanDerWaalsContact N-O 3.07Å; Y88-V98 PolarHBondContact O-N 2.7Å
89R87.3Confident85.9Confident64 Ų6474.1 Ų74.124%0.24239%0.39CS..EExtended strand (participates in β ladder)trans-81.5128.5176.9-68.4-166168.4-86.80.2110.8P81 C83 L95 R96 C97P81-R89 VanDerWaalsContact O-CZ 3.23Å; P81-R89 PolarHBondContact O-NE 3.11Å; P81-R89 PolarHBondContact O-NH2 2.75Å; C83-R89 WeakPolarHBondContact SG-CG 3.35Å; R89-L95 WeakPolarHBondContact CB-O 3.46Å; R89-L95 WeakPolarHBondContact CD-O 3.48Å; R89-L95 WeakPolarHBondContact CG-O 3.31Å; R89-L95 PolarHBondContact NH1-O 2.87Å; R89-R96 WeakPolarHBondContact CA-O 3.4Å; R89-C97 VanDerWaalsContact CZ-SG 3.58Å
90S83Confident86.3Confident21 Ų2170 Ų7015%0.14738%0.38CS..  trans-97.1116.9176-176.70000110.8S92 I93 L95 R96S90-S92 PolarHBondContact O-N 3.25Å; S90-S92 VanDerWaalsContact O-N 3.16Å; S90-S92 PolarHBondContact OG-N 3.12Å; S90-I93 PolarHBondContact O-N 3.1Å; S90-L95 WeakPolarHBondContact O-CA 3.48Å; S90-L95 PolarHBondContact O-N 3.03Å; S90-R96 PolarHBondContact N-O 2.89Å
91F75.1Confident86.7Confident185 Ų18577 Ų7781%0.81141%0.409SS*.THydrogen-bonded Turntrans-60.6-20.7173-66-75.2000113.1L95F91-L95 HydrophobicContact CD1-CD2 3.6Å; F91-L95 HydrophobicContact CE1-CD2 3.78Å
92S76.2Confident87Confident116 Ų11676.9 Ų76.981%0.81141%0.408SS*.THydrogen-bonded Turntrans-84.5-5.1-179.5-49.20000114.4S90S90-S92 PolarHBondContact O-N 3.25Å; S90-S92 VanDerWaalsContact O-N 3.16Å; S90-S92 PolarHBondContact OG-N 3.12Å
93I73.7Confident87.3Confident81 Ų8175.1 Ų75.142%0.41540%0.396SS..THydrogen-bonded Turntrans-138.266.3-172.9-44.5175.9000109.5S90 L95 R96 V98S90-I93 PolarHBondContact O-N 3.1Å; I93-L95 PolarHBondContact O-N 2.87Å; I93-R96 VanDerWaalsContact O-CB 3.27Å; I93-R96 WeakPolarHBondContact O-CB 3.43Å; I93-R96 VanDerWaalsContact O-CG 3.27Å; I93-R96 WeakPolarHBondContact O-CG 3.49Å; I93-R96 PolarHBondContact O-N 2.73Å; I93-V98 HydrophobicContact CD1-CG2 4.34Å
94D75.5Confident87.4Confident122 Ų12274.3 Ų74.365%0.65239%0.39SS*.THydrogen-bonded Turntrans4737.4178.8-50.2-31.7000115R96D94-R96 HydrophobicContact CB-CG 4.24Å; D94-R96 PolarHBondContact O-N 3.08Å; D94-R96 IonicContact OD2-CZ 2.62Å; D94-R96 IonicContact OD2-NE 3.67Å; D94-R96 PolarHBondContact OD2-NE 3.32Å; D94-R96 IonicContact OD2-NH2 2.66Å; D94-R96 PolarHBondContact OD2-NH2 3.37Å
95L78.7Confident87.3Confident53 Ų5371.8 Ų71.828%0.27738%0.384SS..THydrogen-bonded Turntrans59.17.7-173.2-67157.6000115.1D74 R89 S90 F91 I93D74-L95 HydrophobicContact CB-CD1 4.15Å; R89-L95 WeakPolarHBondContact CB-O 3.46Å; R89-L95 WeakPolarHBondContact CD-O 3.48Å; R89-L95 WeakPolarHBondContact CG-O 3.31Å; R89-L95 PolarHBondContact NH1-O 2.87Å; S90-L95 WeakPolarHBondContact O-CA 3.48Å; S90-L95 PolarHBondContact O-N 3.03Å; F91-L95 HydrophobicContact CD1-CD2 3.6Å; F91-L95 HydrophobicContact CE1-CD2 3.78Å; I93-L95 PolarHBondContact O-N 2.87Å
96R85.1Confident87.1Confident103 Ų10373.4 Ų73.439%0.38940%0.397SS..  trans-62.1153.4-176.4-60.1-179.9-156.4-173.612.3111.9R89 S90 I93 D94 D122R89-R96 WeakPolarHBondContact CA-O 3.4Å; S90-R96 PolarHBondContact N-O 2.89Å; I93-R96 VanDerWaalsContact O-CB 3.27Å; I93-R96 WeakPolarHBondContact O-CB 3.43Å; I93-R96 VanDerWaalsContact O-CG 3.27Å; I93-R96 WeakPolarHBondContact O-CG 3.49Å; I93-R96 PolarHBondContact O-N 2.73Å; D94-R96 HydrophobicContact CB-CG 4.24Å; D94-R96 PolarHBondContact O-N 3.08Å; D94-R96 IonicContact OD2-CZ 2.62Å; D94-R96 IonicContact OD2-NE 3.67Å; D94-R96 PolarHBondContact OD2-NE 3.32Å; D94-R96 IonicContact OD2-NH2 2.66Å; D94-R96 PolarHBondContact OD2-NH2 3.37Å; R96-D122 IonicContact NH1-OD2 3.48Å; R96-D122 IonicContact NH2-OD2 2.62Å
97C89.5Confident87.1Confident17 Ų1772.3 Ų72.312%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-69.9136.5172.2-68.20000110.8C83 R89C83-C97 VanDerWaalsContact CA-SG 3.56Å; C83-C97 HydrophobicContact CB-CB 3.92Å; C83-C97 WeakPolarHBondContact CB-SG 3.15Å; C83-C97 VanDerWaalsContact SG-CA 3.56Å; C83-C97 WeakPolarHBondContact SG-CB 3.47Å; C83-C97 CovalentContact SG-SG 2.03Å; C83-C97 PolarHBondContact SG-SG 2.89Å; R89-C97 VanDerWaalsContact CZ-SG 3.58Å
98V90.4Very high87.2Confident44 Ų4471.7 Ų71.727%0.26737%0.369SS..EExtended strand (participates in β ladder)trans-107123.2168.3179.60000107.2G87 Y88 I93G87-V98 VanDerWaalsContact CA-O 3.24Å; G87-V98 WeakPolarHBondContact CA-O 3.24Å; Y88-V98 HydrophobicContact CD1-CB 4.38Å; Y88-V98 HydrophobicContact CE1-CB 3.95Å; Y88-V98 HydrophobicContact CE1-CG1 3.9Å; Y88-V98 HydrophobicContact CE2-CB 4.15Å; Y88-V98 HydrophobicContact CE2-CG2 4.37Å; Y88-V98 PolarHBondContact N-O 2.96Å; Y88-V98 VanDerWaalsContact N-O 3.07Å; Y88-V98 PolarHBondContact O-N 2.7Å; I93-V98 HydrophobicContact CD1-CG2 4.34Å
99C92.5Very high87.4Confident23 Ų2368 Ų6816%0.15536%0.357CS..PPolyproline II helixtrans-101.4140.9-167.4-55.30000113K101 W103 C108C99-K101 PolarHBondContact O-N 2.88Å; C99-W103 HydrophobicContact CB-CB 4.48Å; C99-W103 VanDerWaalsContact CB-O 3.23Å; C99-W103 WeakPolarHBondContact CB-O 3.48Å; C99-C108 WeakPolarHBondContact CA-SG 3.03Å; C99-C108 HydrophobicContact CB-CB 3.73Å; C99-C108 WeakPolarHBondContact CB-SG 3.08Å; C99-C108 WeakPolarHBondContact SG-CA 3.43Å; C99-C108 WeakPolarHBondContact SG-CB 3.01Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 3.05Å
100P93Very high87.7Confident53 Ų5367.7 Ų67.734%0.34436%0.358SS..PPolyproline II helixtrans-74.5123.6170.630.2-32.6000109.6N85 W103N85-P100 VanDerWaalsContact O-CG 3.22Å; N85-P100 WeakPolarHBondContact O-CG 3.31Å; P100-W103 WeakPolarHBondContact O-CB 3.41Å; P100-W103 PolarHBondContact O-N 3.07Å
101K92.2Very high88.3Confident166 Ų16671.5 Ų71.572%0.72237%0.37SS*.THydrogen-bonded Turntrans-57.8137.8178-62.2-174.1178.5-1730110.5C99 L117C99-K101 PolarHBondContact O-N 2.88Å; K101-L117 HydrophobicContact CG-CD1 4.36Å
102P93.1Very high89.2Confident47 Ų4763 Ų6331%0.30533%0.333SS..THydrogen-bonded Turncis-97.623.39.440.7-37.6000114.6Y111 C112P102-Y111 HydrophobicContact CG-CD2 4.02Å; P102-Y111 HydrophobicContact CG-CE2 3.42Å; P102-Y111 VanDerWaalsContact CG-CE2 3.42Å; P102-C112 HydrophobicContact CB-CB 4.37Å; P102-C112 WeakPolarHBondContact O-CB 3.37Å; P102-C112 PolarHBondContact O-N 2.92Å
103W94.9Very high90Very high74 Ų7459.6 Ų59.628%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-76.5146.8172.4-6193.9000111.7N85 C99 P100 C108 K110 Y111N85-W103 HydrophobicContact CB-CD2 3.54Å; N85-W103 HydrophobicContact CB-CE3 3.9Å; N85-W103 HydrophobicContact CB-CG 3.84Å; N85-W103 HydrophobicContact CB-CH2 4.47Å; N85-W103 HydrophobicContact CB-CZ2 4.15Å; N85-W103 HydrophobicContact CB-CZ3 4.35Å; N85-W103 WeakPolarHBondContact ND2-CZ3 3.46Å; C99-W103 HydrophobicContact CB-CB 4.48Å; C99-W103 VanDerWaalsContact CB-O 3.23Å; C99-W103 WeakPolarHBondContact CB-O 3.48Å; P100-W103 WeakPolarHBondContact O-CB 3.41Å; P100-W103 PolarHBondContact O-N 3.07Å; W103-C108 HydrophobicContact CB-CB 4.47Å; W103-K110 CarbonylContact C-O 3.58Å; W103-K110 VanDerWaalsContact CA-O 3.27Å; W103-K110 WeakPolarHBondContact CA-O 3.44Å; W103-Y111 AromaticContact CD2-CD2 3.84Å; W103-Y111 HydrophobicContact CD2-CD2 3.84Å; W103-Y111 AromaticContact CE2-CD2 3.6Å; W103-Y111 HydrophobicContact CE3-CD2 4.15Å; W103-Y111 HydrophobicContact CG-CD2 4.43Å; W103-Y111 HydrophobicContact CH2-CD2 4.02Å; W103-Y111 HydrophobicContact CH2-CG 4.41Å; W103-Y111 AromaticContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CE2 4.35Å; W103-Y111 HydrophobicContact CZ3-CD2 4.23Å; W103-Y111 HydrophobicContact CZ3-CG 4.42Å
104F93.8Very high90.8Very high10 Ų1058.5 Ų58.54%0.04431%0.307CS..EExtended strand (participates in β ladder)trans-152.6-177.2179.374.5-68.7000110.8C108 E109 K110 C112 L117 E124 C126 E135 E136F104-C108 CarbonylContact O-C 3.58Å; F104-C108 VanDerWaalsContact O-C 3.31Å; F104-C108 WeakPolarHBondContact O-CA 3.34Å; F104-E109 PolarHBondContact O-N 2.03Å; F104-K110 HydrophobicContact CD1-CB 3.69Å; F104-K110 WeakPolarHBondContact CD1-O 3.34Å; F104-K110 HydrophobicContact CD2-CB 4.4Å; F104-K110 HydrophobicContact CE1-CB 3.36Å; F104-K110 HydrophobicContact CE2-CB 4.12Å; F104-K110 HydrophobicContact CE2-CD 3.98Å; F104-K110 HydrophobicContact CG-CB 4.2Å; F104-K110 HydrophobicContact CZ-CB 3.59Å; F104-K110 HydrophobicContact CZ-CD 3.89Å; F104-K110 HydrophobicContact CZ-CG 4.37Å; F104-K110 PolarHBondContact N-O 2.79Å; F104-K110 PolarHBondContact O-N 2.74Å; F104-C112 HydrophobicContact CD1-CB 4.08Å; F104-C112 HydrophobicContact CE1-CB 4.01Å; F104-L117 HydrophobicContact CB-CD1 4.07Å; F104-L117 HydrophobicContact CB-CD2 3.61Å; F104-L117 HydrophobicContact CD1-CD2 3.67Å; F104-L117 HydrophobicContact CD2-CD2 4.1Å; F104-L117 HydrophobicContact CE1-CD2 4.36Å; F104-L117 HydrophobicContact CG-CD2 3.53Å; F104-E124 HydrophobicContact CB-CB 4.48Å; F104-C126 HydrophobicContact CE1-CB 4.11Å; F104-C126 HydrophobicContact CE2-CB 4.41Å; F104-C126 HydrophobicContact CZ-CB 3.9Å; F104-E135 WeakPolarHBondContact CZ-O 3.22Å; F104-E136 HydrophobicContact CE1-CG 4.39Å; F104-E136 HydrophobicContact CZ-CG 4.34Å
105G91.1Very high91.6Very high32 Ų3253.3 Ų53.333%0.3328%0.282SS..SBendtrans107.5-173.1-175.200000112.6E109G105-E109 WeakPolarHBondContact CA-OE1 3.31Å; G105-E109 WeakPolarHBondContact CA-OE2 3.36Å
106T89.8Confident92.4Very high108 Ų10855 Ų5566%0.66330%0.295SS*.SBendtrans-79.7-25.2-174.457.80000113.6E109T106-E109 PolarHBondContact N-OE1 2.87Å; T106-E109 PolarHBondContact N-OE2 3.27Å; T106-E109 PolarHBondContact OG1-OE1 2.94Å
107L92Very high92.7Very high42 Ų4251.2 Ų51.222%0.2228%0.282CS..SBendtrans-12816-179.8-57.2178.7000111.3P81 L84 E109P81-L107 HydrophobicContact CB-CD1 3.76Å; P81-L107 HydrophobicContact CB-CD2 3.86Å; P81-L107 HydrophobicContact CB-CG 4.5Å; P81-L107 HydrophobicContact CG-CD1 4.29Å; P81-L107 HydrophobicContact CG-CD2 4.42Å; L84-L107 WeakPolarHBondContact CB-O 3.35Å; L84-L107 PolarHBondContact N-O 3.47Å; L107-E109 VanDerWaalsContact C-N 3.25Å; L107-E109 WeakPolarHBondContact CA-OE2 3.02Å; L107-E109 PolarHBondContact N-OE2 2.85Å; L107-E109 PolarHBondContact O-N 3.34Å
108C93.8Very high92.9Very high0 Ų053.9 Ų53.90%029%0.294CS..SBendtrans62.131-173-460000113.8L84 N85 C99 W103 F104L84-C108 WeakPolarHBondContact O-CB 3.23Å; N85-C108 PolarHBondContact ND2-O 3.41Å; C99-C108 WeakPolarHBondContact CA-SG 3.03Å; C99-C108 HydrophobicContact CB-CB 3.73Å; C99-C108 WeakPolarHBondContact CB-SG 3.08Å; C99-C108 WeakPolarHBondContact SG-CA 3.43Å; C99-C108 WeakPolarHBondContact SG-CB 3.01Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 3.05Å; W103-C108 HydrophobicContact CB-CB 4.47Å; F104-C108 CarbonylContact O-C 3.58Å; F104-C108 VanDerWaalsContact O-C 3.31Å; F104-C108 WeakPolarHBondContact O-CA 3.34Å
109E94.2Very high92.8Very high67 Ų6758 Ų5831%0.31331%0.309SS..  trans-77.8-20-174.571.9-74.4-175.600114.5L84 F104 G105 T106 L107L84-E109 HydrophobicContact CD1-CB 4.06Å; F104-E109 PolarHBondContact O-N 2.03Å; G105-E109 WeakPolarHBondContact CA-OE1 3.31Å; G105-E109 WeakPolarHBondContact CA-OE2 3.36Å; T106-E109 PolarHBondContact N-OE1 2.87Å; T106-E109 PolarHBondContact N-OE2 3.27Å; T106-E109 PolarHBondContact OG1-OE1 2.94Å; L107-E109 VanDerWaalsContact C-N 3.25Å; L107-E109 WeakPolarHBondContact CA-OE2 3.02Å; L107-E109 PolarHBondContact N-OE2 2.85Å; L107-E109 PolarHBondContact O-N 3.34Å
110K94.9Very high92.5Very high58 Ų5861.3 Ų61.325%0.25232%0.322SS..EExtended strand (participates in β ladder)trans-108.3146.8-173.9-55.2-168.1-177.7179.70112.7W103 F104 E135 E136W103-K110 CarbonylContact C-O 3.58Å; W103-K110 VanDerWaalsContact CA-O 3.27Å; W103-K110 WeakPolarHBondContact CA-O 3.44Å; F104-K110 HydrophobicContact CD1-CB 3.69Å; F104-K110 WeakPolarHBondContact CD1-O 3.34Å; F104-K110 HydrophobicContact CD2-CB 4.4Å; F104-K110 HydrophobicContact CE1-CB 3.36Å; F104-K110 HydrophobicContact CE2-CB 4.12Å; F104-K110 HydrophobicContact CE2-CD 3.98Å; F104-K110 HydrophobicContact CG-CB 4.2Å; F104-K110 HydrophobicContact CZ-CB 3.59Å; F104-K110 HydrophobicContact CZ-CD 3.89Å; F104-K110 HydrophobicContact CZ-CG 4.37Å; F104-K110 PolarHBondContact N-O 2.79Å; F104-K110 PolarHBondContact O-N 2.74Å; K110-E135 IonicContact NZ-OE2 3.96Å; K110-E135 PolarHBondContact NZ-OE2 2.83Å; K110-E136 VanDerWaalsContact CA-OE1 3.22Å; K110-E136 WeakPolarHBondContact CA-OE1 3.18Å; K110-E136 HydrophobicContact CB-CG 4.11Å
111Y94.7Very high92Very high101 Ų10166.6 Ų66.640%0.39634%0.342SS..EExtended strand (participates in β ladder)trans-116.9116.7-178.5-175.4-96.6000111.7P102 W103 A113 E136P102-Y111 HydrophobicContact CG-CD2 4.02Å; P102-Y111 HydrophobicContact CG-CE2 3.42Å; P102-Y111 VanDerWaalsContact CG-CE2 3.42Å; W103-Y111 AromaticContact CD2-CD2 3.84Å; W103-Y111 HydrophobicContact CD2-CD2 3.84Å; W103-Y111 AromaticContact CE2-CD2 3.6Å; W103-Y111 HydrophobicContact CE3-CD2 4.15Å; W103-Y111 HydrophobicContact CG-CD2 4.43Å; W103-Y111 HydrophobicContact CH2-CD2 4.02Å; W103-Y111 HydrophobicContact CH2-CG 4.41Å; W103-Y111 AromaticContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CE2 4.35Å; W103-Y111 HydrophobicContact CZ3-CD2 4.23Å; W103-Y111 HydrophobicContact CZ3-CG 4.42Å; Y111-A113 HydrophobicContact CD1-CB 3.88Å; Y111-A113 HydrophobicContact CE1-CB 3.99Å; Y111-A113 PolarHBondContact O-N 2.73Å; Y111-E136 PolarHBondContact N-OE1 3.22Å; Y111-E136 WeakPolarHBondContact O-CB 3.33Å
112C94.9Very high91.5Very high7 Ų764.2 Ų64.25%0.04734%0.336CS..  trans-7991.4178.8-176.10000110.7P102 F104 L117 C126P102-C112 HydrophobicContact CB-CB 4.37Å; P102-C112 WeakPolarHBondContact O-CB 3.37Å; P102-C112 PolarHBondContact O-N 2.92Å; F104-C112 HydrophobicContact CD1-CB 4.08Å; F104-C112 HydrophobicContact CE1-CB 4.01Å; C112-L117 HydrophobicContact CB-CD1 4.49Å; C112-L117 HydrophobicContact CB-CD2 3.63Å; C112-L117 HydrophobicContact CB-CG 3.8Å; C112-C126 WeakPolarHBondContact CA-SG 3.44Å; C112-C126 HydrophobicContact CB-CB 3.72Å; C112-C126 WeakPolarHBondContact CB-SG 3.35Å; C112-C126 WeakPolarHBondContact SG-CB 3.4Å; C112-C126 CovalentContact SG-SG 2.03Å; C112-C126 PolarHBondContact SG-SG 3.36Å
113A91.4Very high91Very high43 Ų4367.8 Ų67.836%0.35535%0.345SS..  trans-77.4-61.4-167.400000113.7Y111 E136Y111-A113 HydrophobicContact CD1-CB 3.88Å; Y111-A113 HydrophobicContact CE1-CB 3.99Å; Y111-A113 PolarHBondContact O-N 2.73Å; A113-E136 PolarHBondContact N-O 3.17Å
114N91.1Very high90.8Very high58 Ų5868 Ų6831%0.3135%0.349SS..SBendtrans-114.343.8-176.9-55.3-76.2000111.4R129 F132 C137N114-R129 WeakPolarHBondContact O-CB 3.39Å; N114-R129 WeakPolarHBondContact O-CG 3.07Å; N114-R129 PolarHBondContact O-N 2.9Å; N114-F132 HydrophobicContact CB-CB 4.08Å; N114-F132 HydrophobicContact CB-CD1 3.56Å; N114-F132 HydrophobicContact CB-CD2 3.92Å; N114-F132 HydrophobicContact CB-CE1 3.92Å; N114-F132 HydrophobicContact CB-CE2 4.26Å; N114-F132 HydrophobicContact CB-CG 3.56Å; N114-F132 HydrophobicContact CB-CZ 4.26Å; N114-C137 HydrophobicContact CB-CB 4.29Å; N114-C137 WeakPolarHBondContact CB-O 3.36Å; N114-C137 PolarHBondContact ND2-O 3.44Å
115G93Very high90.7Very high14 Ų1471.3 Ų71.314%0.14437%0.367CS..EExtended strand (participates in β ladder)trans-143.3-164.4-176.400000113.8Q127G115-Q127 CarbonylContact C-O 3.59Å; G115-Q127 WeakPolarHBondContact CA-O 3.36Å
116V93.9Very high90.8Very high88 Ų8870.1 Ų70.153%0.53335%0.353SS..EExtended strand (participates in β ladder)trans-131.7130.6171.6-179.60000108I118 Q127V116-I118 HydrophobicContact CG1-CG1 4.39Å; V116-I118 PolarHBondContact O-N 3.44Å; V116-Q127 PolarHBondContact N-O 3.28Å; V116-Q127 PolarHBondContact O-N 3.36Å
117L93.4Very high91.1Very high24 Ų2470.8 Ų70.813%0.12635%0.349CS..EExtended strand (participates in β ladder)trans-72.6119.1172.8-72.2178.2000110.6K101 F104 C112 C126K101-L117 HydrophobicContact CG-CD1 4.36Å; F104-L117 HydrophobicContact CB-CD1 4.07Å; F104-L117 HydrophobicContact CB-CD2 3.61Å; F104-L117 HydrophobicContact CD1-CD2 3.67Å; F104-L117 HydrophobicContact CD2-CD2 4.1Å; F104-L117 HydrophobicContact CE1-CD2 4.36Å; F104-L117 HydrophobicContact CG-CD2 3.53Å; C112-L117 HydrophobicContact CB-CD1 4.49Å; C112-L117 HydrophobicContact CB-CD2 3.63Å; C112-L117 HydrophobicContact CB-CG 3.8Å; L117-C126 HydrophobicContact CD2-CB 4.16Å
118I92.1Very high91.2Very high72 Ų7270.6 Ų70.637%0.36935%0.351SS..EExtended strand (participates in β ladder)trans-118131.1177.2-59.2-177.7000108.4V116 L125 Q127V116-I118 HydrophobicContact CG1-CG1 4.39Å; V116-I118 PolarHBondContact O-N 3.44Å; I118-L125 PolarHBondContact N-O 2.78Å; I118-L125 PolarHBondContact O-N 2.62Å; I118-Q127 HydrophobicContact CD1-CB 3.82Å; I118-Q127 HydrophobicContact CG1-CB 4.42Å
119K89.5Confident91.2Very high132 Ų13278.7 Ų78.757%0.57438%0.381SS*.EExtended strand (participates in β ladder)trans-86112.9174.7-175.2168.5-179.9171.50109.8H121 Y123 E124K119-H121 WeakPolarHBondContact CE-O 3.01Å; K119-H121 WeakPolarHBondContact CG-O 3.22Å; K119-Y123 CarbonylContact C-O 3.59Å; K119-Y123 WeakPolarHBondContact CA-O 3.15Å; K119-E124 HydrophobicContact CB-CG 4.36Å; K119-E124 HydrophobicContact CG-CG 4.41Å
120Q85.6Confident91.1Very high91 Ų9183.6 Ų83.643%0.42540%0.404SS..EExtended strand (participates in β ladder)trans-107.7103.8175.1-172.7175.48.900108.6D122 Y123Q120-D122 PolarHBondContact O-N 2.97Å; Q120-D122 VanDerWaalsContact O-N 3.12Å; Q120-Y123 HydrophobicContact CB-CD2 4.36Å; Q120-Y123 HydrophobicContact CB-CE2 3.76Å; Q120-Y123 HydrophobicContact CG-CE2 4.26Å; Q120-Y123 PolarHBondContact N-O 2.04Å; Q120-Y123 VanDerWaalsContact O-CD1 3.3Å; Q120-Y123 WeakPolarHBondContact O-CD1 3.05Å; Q120-Y123 WeakPolarHBondContact O-CE1 3.26Å; Q120-Y123 PolarHBondContact O-N 2.92Å; Q120-Y123 PolarHBondContact OE1-OH 3.48Å
121H82.2Confident91Very high165 Ų16583.5 Ų83.576%0.76441%0.406SS*.THydrogen-bonded Turntrans57-112-172.2-56.59.8000110.7K119K119-H121 WeakPolarHBondContact CE-O 3.01Å; K119-H121 WeakPolarHBondContact CG-O 3.22Å
122D82Confident91Very high115 Ų11580.5 Ų80.562%0.61540%0.396SS*.THydrogen-bonded Turntrans-96.7-7.2-175.2-91.311.9000114.7R96 Q120R96-D122 IonicContact NH1-OD2 3.48Å; R96-D122 IonicContact NH2-OD2 2.62Å; Q120-D122 PolarHBondContact O-N 2.97Å; Q120-D122 VanDerWaalsContact O-N 3.12Å
123Y83.6Confident90.9Very high122 Ų12285.7 Ų85.748%0.47842%0.415SS..EExtended strand (participates in β ladder)trans-115.8155.9-179.963.1-93.7000112.3K119 Q120 L125K119-Y123 CarbonylContact C-O 3.59Å; K119-Y123 WeakPolarHBondContact CA-O 3.15Å; Q120-Y123 HydrophobicContact CB-CD2 4.36Å; Q120-Y123 HydrophobicContact CB-CE2 3.76Å; Q120-Y123 HydrophobicContact CG-CE2 4.26Å; Q120-Y123 PolarHBondContact N-O 2.04Å; Q120-Y123 VanDerWaalsContact O-CD1 3.3Å; Q120-Y123 WeakPolarHBondContact O-CD1 3.05Å; Q120-Y123 WeakPolarHBondContact O-CE1 3.26Å; Q120-Y123 PolarHBondContact O-N 2.92Å; Q120-Y123 PolarHBondContact OE1-OH 3.48Å; Y123-L125 HydrophobicContact CD2-CB 4.37Å; Y123-L125 HydrophobicContact CE2-CB 4.29Å
124E89Confident91Very high80 Ų8085.1 Ų85.137%0.37441%0.413SS..EExtended strand (participates in β ladder)trans-105.7132173.6-60.7-169.116200109.2F104 K119F104-E124 HydrophobicContact CB-CB 4.48Å; K119-E124 HydrophobicContact CB-CG 4.36Å; K119-E124 HydrophobicContact CG-CG 4.41Å
125L91.5Very high91Very high78 Ų7888.5 Ų88.541%0.40843%0.427SS..EExtended strand (participates in β ladder)trans-125.1134.8-177.9-178.363.2000109.2I118 Y123 Q127I118-L125 PolarHBondContact N-O 2.78Å; I118-L125 PolarHBondContact O-N 2.62Å; Y123-L125 HydrophobicContact CD2-CB 4.37Å; Y123-L125 HydrophobicContact CE2-CB 4.29Å; L125-Q127 PolarHBondContact O-N 3.48Å
126C94.9Very high91.1Very high7 Ų790.9 Ų90.95%0.04744%0.435CS..EExtended strand (participates in β ladder)trans-79.4106171.1-171.40000109F104 C112 L117 C128 E135 C137F104-C126 HydrophobicContact CE1-CB 4.11Å; F104-C126 HydrophobicContact CE2-CB 4.41Å; F104-C126 HydrophobicContact CZ-CB 3.9Å; C112-C126 WeakPolarHBondContact CA-SG 3.44Å; C112-C126 HydrophobicContact CB-CB 3.72Å; C112-C126 WeakPolarHBondContact CB-SG 3.35Å; C112-C126 WeakPolarHBondContact SG-CB 3.4Å; C112-C126 CovalentContact SG-SG 2.03Å; C112-C126 PolarHBondContact SG-SG 3.36Å; L117-C126 HydrophobicContact CD2-CB 4.16Å; C126-C128 PolarHBondContact O-N 2.03Å; C126-E135 WeakPolarHBondContact CB-O 3.27Å; C126-C137 PolarHBondContact SG-SG 2.91Å
127Q94.9Very high91.1Very high123 Ų12386.7 Ų86.758%0.57541%0.409SS*.EExtended strand (participates in β ladder)trans-79.9116.8169-177.6174.91.600108.7G115 V116 I118 L125G115-Q127 CarbonylContact C-O 3.59Å; G115-Q127 WeakPolarHBondContact CA-O 3.36Å; V116-Q127 PolarHBondContact N-O 3.28Å; V116-Q127 PolarHBondContact O-N 3.36Å; I118-Q127 HydrophobicContact CD1-CB 3.82Å; I118-Q127 HydrophobicContact CG1-CB 4.42Å; L125-Q127 PolarHBondContact O-N 3.48Å
128C94.8Very high91.1Very high38 Ų3888.3 Ų88.326%0.25742%0.418SS..EExtended strand (participates in β ladder)trans-66.8149.9179.5-53.70000112.6C126 F132 G134 C137C126-C128 PolarHBondContact O-N 2.03Å; C128-F132 HydrophobicContact CB-CB 4.18Å; C128-F132 VanDerWaalsContact CB-O 3.26Å; C128-F132 WeakPolarHBondContact CB-O 3.04Å; C128-G134 PolarHBondContact SG-O 3.21Å; C128-C137 WeakPolarHBondContact CA-SG 3.44Å; C128-C137 HydrophobicContact CB-CB 3.77Å; C128-C137 WeakPolarHBondContact CB-SG 3.41Å; C128-C137 PolarHBondContact N-SG 3.18Å; C128-C137 VanDerWaalsContact N-SG 3.36Å; C128-C137 VanDerWaalsContact SG-CA 3.57Å; C128-C137 WeakPolarHBondContact SG-CB 3.03Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.33Å
129R93.7Very high91.1Very high170 Ų17088.9 Ų88.964%0.64242%0.419SS*.PPolyproline II helixtrans-67.3163.5162.3-65.7177.2-176-1601109.9N114 N131 F132N114-R129 WeakPolarHBondContact O-CB 3.39Å; N114-R129 WeakPolarHBondContact O-CG 3.07Å; N114-R129 PolarHBondContact O-N 2.9Å; R129-N131 PolarHBondContact O-N 2.85Å; R129-F132 HydrophobicContact CB-CD2 4.44Å; R129-F132 PolarHBondContact O-N 2.03Å; R129-F132 VanDerWaalsContact O-N 3.17Å
130E92.8Very high91.3Very high169 Ų16983.3 Ų83.379%0.7940%0.395SS*.THydrogen-bonded Turntrans-48.3137.2173-65.4173.2-164.100111.1F132E130-F132 WeakPolarHBondContact O-CD2 3.4Å; E130-F132 PolarHBondContact O-N 2.97Å
131N92.6Very high91.7Very high57 Ų5782.5 Ų82.531%0.30539%0.393SS..THydrogen-bonded Turntrans63.315.9179-45.3-38.6000116R129 L141 F143 H164R129-N131 PolarHBondContact O-N 2.85Å; N131-L141 HydrophobicContact CB-CB 4.36Å; N131-L141 WeakPolarHBondContact O-CB 3.35Å; N131-L141 PolarHBondContact O-N 3.4Å; N131-F143 HydrophobicContact CB-CE2 4.38Å; N131-F143 WeakPolarHBondContact OD1-CZ 3.48Å; N131-H164 WeakPolarHBondContact CB-CE1 3.37Å; N131-H164 VanDerWaalsContact CB-ND1 3.34Å; N131-H164 WeakPolarHBondContact CB-ND1 3.01Å; N131-H164 PolarHBondContact O-CE1 3.38Å
132F94.6Very high92.3Very high38 Ų3875.8 Ų75.817%0.16737%0.365CS..EExtended strand (participates in β ladder)trans-116.3150.8165.2-70.7-90000111.3N114 C128 R129 E130 C137 H139 I140 H164N114-F132 HydrophobicContact CB-CB 4.08Å; N114-F132 HydrophobicContact CB-CD1 3.56Å; N114-F132 HydrophobicContact CB-CD2 3.92Å; N114-F132 HydrophobicContact CB-CE1 3.92Å; N114-F132 HydrophobicContact CB-CE2 4.26Å; N114-F132 HydrophobicContact CB-CG 3.56Å; N114-F132 HydrophobicContact CB-CZ 4.26Å; C128-F132 HydrophobicContact CB-CB 4.18Å; C128-F132 VanDerWaalsContact CB-O 3.26Å; C128-F132 WeakPolarHBondContact CB-O 3.04Å; R129-F132 HydrophobicContact CB-CD2 4.44Å; R129-F132 PolarHBondContact O-N 2.03Å; R129-F132 VanDerWaalsContact O-N 3.17Å; E130-F132 WeakPolarHBondContact O-CD2 3.4Å; E130-F132 PolarHBondContact O-N 2.97Å; F132-C137 HydrophobicContact CB-CB 4.43Å; F132-H139 WeakPolarHBondContact CA-O 3.33Å; F132-I140 HydrophobicContact CD1-CB 4.26Å; F132-I140 HydrophobicContact CD1-CG1 4.41Å; F132-I140 HydrophobicContact CE1-CB 3.96Å; F132-I140 HydrophobicContact CE1-CD1 4.22Å; F132-I140 HydrophobicContact CE1-CG1 3.92Å; F132-I140 HydrophobicContact CZ-CD1 4.16Å; F132-I140 HydrophobicContact CZ-CG1 4.18Å; F132-H164 AromaticContact CE2-CE1 3.56Å; F132-H164 AromaticContact CE2-NE2 3.84Å; F132-H164 AromaticContact CZ-CE1 3.88Å
133Y92.9Very high92.9Very high115 Ų11573.8 Ų73.845%0.45135%0.351SS..EExtended strand (participates in β ladder)trans-151.5179-178.572.1-81.7000112.5C137 H139 L141Y133-C137 WeakPolarHBondContact O-CA 3.38Å; Y133-H139 HydrophobicContact CD1-CB 3.85Å; Y133-H139 HydrophobicContact CD2-CB 3.91Å; Y133-H139 AromaticContact CD2-CD2 3.94Å; Y133-H139 HydrophobicContact CE1-CB 3.62Å; Y133-H139 HydrophobicContact CE2-CB 3.7Å; Y133-H139 AromaticContact CE2-CD2 3.53Å; Y133-H139 HydrophobicContact CG-CB 3.98Å; Y133-H139 PolarHBondContact N-O 2.95Å; Y133-H139 WeakPolarHBondContact O-CB 3.35Å; Y133-H139 PolarHBondContact O-N 3.05Å; Y133-L141 HydrophobicContact CD1-CB 4.35Å; Y133-L141 HydrophobicContact CE1-CB 4.46Å
134G92.6Very high93.4Very high31 Ų3170.9 Ų70.932%0.3234%0.343SS..SBendtrans91.2162.5-168.900000111.6C128 E136 C137C128-G134 PolarHBondContact SG-O 3.21Å; G134-E136 PolarHBondContact O-N 2.91Å; G134-C137 PolarHBondContact O-N 2.78Å
135E92.3Very high93.5Very high129 Ų12975 Ų7560%0.60336%0.362SS*.THydrogen-bonded Turntrans-64.2-28-177-61.7-172.717000113.1F104 K110 C126F104-E135 WeakPolarHBondContact CZ-O 3.22Å; K110-E135 IonicContact NZ-OE2 3.96Å; K110-E135 PolarHBondContact NZ-OE2 2.83Å; C126-E135 WeakPolarHBondContact CB-O 3.27Å
136E93.9Very high93.6Very high65 Ų6571.8 Ų71.830%0.30435%0.348SS..THydrogen-bonded Turntrans-101.3-2.8-179.8-66.2-171.3103.300112.9F104 K110 Y111 A113 G134 D138F104-E136 HydrophobicContact CE1-CG 4.39Å; F104-E136 HydrophobicContact CZ-CG 4.34Å; K110-E136 VanDerWaalsContact CA-OE1 3.22Å; K110-E136 WeakPolarHBondContact CA-OE1 3.18Å; K110-E136 HydrophobicContact CB-CG 4.11Å; Y111-E136 PolarHBondContact N-OE1 3.22Å; Y111-E136 WeakPolarHBondContact O-CB 3.33Å; A113-E136 PolarHBondContact N-O 3.17Å; G134-E136 PolarHBondContact O-N 2.91Å; E136-D138 PolarHBondContact O-N 2.85Å
137C94.2Very high93.6Very high0 Ų075.4 Ų75.40%037%0.37CS..SBendtrans55.634.2-172.2-49.30000113.1N114 C126 C128 F132 Y133 G134N114-C137 HydrophobicContact CB-CB 4.29Å; N114-C137 WeakPolarHBondContact CB-O 3.36Å; N114-C137 PolarHBondContact ND2-O 3.44Å; C126-C137 PolarHBondContact SG-SG 2.91Å; C128-C137 WeakPolarHBondContact CA-SG 3.44Å; C128-C137 HydrophobicContact CB-CB 3.77Å; C128-C137 WeakPolarHBondContact CB-SG 3.41Å; C128-C137 PolarHBondContact N-SG 3.18Å; C128-C137 VanDerWaalsContact N-SG 3.36Å; C128-C137 VanDerWaalsContact SG-CA 3.57Å; C128-C137 WeakPolarHBondContact SG-CB 3.03Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.33Å; F132-C137 HydrophobicContact CB-CB 4.43Å; Y133-C137 WeakPolarHBondContact O-CA 3.38Å; G134-C137 PolarHBondContact O-N 2.78Å
138D92.4Very high93.6Very high58 Ų5873 Ų7331%0.3137%0.365SS..  trans-86.1-21.6176.777.3-58000112.5E136E136-D138 PolarHBondContact O-N 2.85Å
139H92.6Very high93.4Very high84 Ų8473.4 Ų73.439%0.38937%0.366SS..EExtended strand (participates in β ladder)trans-84.4133.6178-54.3-6.3000110.7F132 Y133F132-H139 WeakPolarHBondContact CA-O 3.33Å; Y133-H139 HydrophobicContact CD1-CB 3.85Å; Y133-H139 HydrophobicContact CD2-CB 3.91Å; Y133-H139 AromaticContact CD2-CD2 3.94Å; Y133-H139 HydrophobicContact CE1-CB 3.62Å; Y133-H139 HydrophobicContact CE2-CB 3.7Å; Y133-H139 AromaticContact CE2-CD2 3.53Å; Y133-H139 HydrophobicContact CG-CB 3.98Å; Y133-H139 PolarHBondContact N-O 2.95Å; Y133-H139 WeakPolarHBondContact O-CB 3.35Å; Y133-H139 PolarHBondContact O-N 3.05Å
140I93.9Very high93Very high14 Ų1474.4 Ų74.47%0.07238%0.375CS..EExtended strand (participates in β ladder)trans-102132.2177.4-169.7173.5000110.5F132 P148 L163 H164F132-I140 HydrophobicContact CD1-CB 4.26Å; F132-I140 HydrophobicContact CD1-CG1 4.41Å; F132-I140 HydrophobicContact CE1-CB 3.96Å; F132-I140 HydrophobicContact CE1-CD1 4.22Å; F132-I140 HydrophobicContact CE1-CG1 3.92Å; F132-I140 HydrophobicContact CZ-CD1 4.16Å; F132-I140 HydrophobicContact CZ-CG1 4.18Å; I140-P148 HydrophobicContact CG2-CB 3.97Å; I140-L163 HydrophobicContact CD1-CD1 4.22Å; I140-L163 HydrophobicContact CD1-CG 4.1Å; I140-L163 WeakPolarHBondContact CD1-O 3.34Å; I140-H164 VanDerWaalsContact CG1-CE1 3.48Å; I140-H164 WeakPolarHBondContact CG1-CE1 3.45Å; I140-H164 WeakPolarHBondContact CG1-ND1 3.41Å
141L94.4Very high92.5Very high75 Ų7570.3 Ų70.339%0.39338%0.379SS..PPolyproline II helixtrans-79.9132.7170.6-175.463.2000109.6N131 Y133 F143 H164N131-L141 HydrophobicContact CB-CB 4.36Å; N131-L141 WeakPolarHBondContact O-CB 3.35Å; N131-L141 PolarHBondContact O-N 3.4Å; Y133-L141 HydrophobicContact CD1-CB 4.35Å; Y133-L141 HydrophobicContact CE1-CB 4.46Å; L141-F143 HydrophobicContact CD2-CE1 3.86Å; L141-F143 HydrophobicContact CD2-CZ 3.84Å; L141-F143 HydrophobicContact CG-CE1 4.31Å; L141-F143 HydrophobicContact CG-CZ 4.33Å; L141-H164 WeakPolarHBondContact O-CB 3.47Å; L141-H164 PolarHBondContact O-ND1 3.22Å
142C95.3Very high92.1Very high24 Ų2478.2 Ų78.216%0.16240%0.404CS..  trans-118.1125.8178-54.60000110.6G146 P148 C154C142-G146 WeakPolarHBondContact CB-O 3.35Å; C142-P148 VanDerWaalsContact SG-CA 3.51Å; C142-C154 WeakPolarHBondContact CA-SG 3.35Å; C142-C154 HydrophobicContact CB-CB 3.8Å; C142-C154 WeakPolarHBondContact CB-SG 3.44Å; C142-C154 WeakPolarHBondContact SG-CB 3.42Å; C142-C154 CovalentContact SG-SG 2.03Å; C142-C154 PolarHBondContact SG-SG 2.91Å
143F94.3Very high91.9Very high73 Ų7377 Ų7732%0.3240%0.403SS..  trans-86.8173.8175.1-58-67.3000111.5N131 L141 H145 G146 H164 E166N131-F143 HydrophobicContact CB-CE2 4.38Å; N131-F143 WeakPolarHBondContact OD1-CZ 3.48Å; L141-F143 HydrophobicContact CD2-CE1 3.86Å; L141-F143 HydrophobicContact CD2-CZ 3.84Å; L141-F143 HydrophobicContact CG-CE1 4.31Å; L141-F143 HydrophobicContact CG-CZ 4.33Å; F143-H145 PolarHBondContact O-N 2.03Å; F143-G146 PolarHBondContact O-N 2.81Å; F143-H164 HydrophobicContact CD2-CB 3.72Å; F143-H164 WeakPolarHBondContact CD2-O 3.35Å; F143-H164 HydrophobicContact CE2-CB 3.87Å; F143-H164 PolarHBondContact N-O 2.86Å; F143-E166 HydrophobicContact CD2-CB 4.06Å
144N93.5Very high92Very high60 Ų6072.5 Ų72.532%0.32139%0.388SS..THydrogen-bonded Turntrans51.138.5166.7-59.5-42.5000115.2G146 Y160 C165N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 2.87Å; N144-Y160 HydrophobicContact CB-CD1 3.63Å; N144-Y160 HydrophobicContact CB-CD2 3.61Å; N144-Y160 HydrophobicContact CB-CE1 3.86Å; N144-Y160 HydrophobicContact CB-CE2 3.83Å; N144-Y160 HydrophobicContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CG-CE1 3.49Å; N144-Y160 WeakPolarHBondContact ND2-CD1 3.34Å; N144-C165 PolarHBondContact ND2-O 2.78Å
145H92.2Very high92.1Very high166 Ų16676.5 Ų76.577%0.76940%0.401SS*.THydrogen-bonded Turntrans59.827.3-176-51-80.1000115.2F143F143-H145 PolarHBondContact O-N 2.03Å
146G93.8Very high92.2Very high11 Ų1172.5 Ų72.511%0.11339%0.387CS..PPolyproline II helixtrans-68.9144.6166.700000112.3C142 F143 N144 L155C142-G146 WeakPolarHBondContact CB-O 3.35Å; F143-G146 PolarHBondContact O-N 2.81Å; N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 2.87Å; G146-L155 CarbonylContact C-O 3.23Å; G146-L155 WeakPolarHBondContact CA-O 3.35Å
147T94.7Very high92.2Very high84 Ų8477.8 Ų77.852%0.51540%0.404SS..EExtended strand (participates in β ladder)trans-99124.5179.6-580000110.6L155T147-L155 PolarHBondContact N-O 2.85Å; T147-L155 PolarHBondContact O-N 2.96Å
148P93.7Very high91.9Very high73 Ų7385.8 Ų85.847%0.47444%0.439SS..EExtended strand (participates in β ladder)trans-69.1133.217727-33.4000111.5I140 C142I140-P148 HydrophobicContact CG2-CB 3.97Å; C142-P148 VanDerWaalsContact SG-CA 3.51Å
149V90.7Very high91.8Very high45 Ų4584.7 Ų84.727%0.27344%0.436SS..EExtended strand (participates in β ladder)trans-120.3119.5174.9179.60000109.5G151 R152 G153 L155V149-G151 PolarHBondContact O-N 3.17Å; V149-R152 HydrophobicContact CB-CB 4.23Å; V149-R152 HydrophobicContact CG1-CB 3.94Å; V149-R152 HydrophobicContact CG1-CG 4.34Å; V149-R152 PolarHBondContact O-N 2.73Å; V149-G153 PolarHBondContact N-O 3.49Å; V149-G153 PolarHBondContact O-N 3.4Å; V149-L155 HydrophobicContact CG2-CD1 3.52Å; V149-L155 HydrophobicContact CG2-CG 3.63Å
150K85.7Confident91.9Very high191 Ų19184.1 Ų84.183%0.8343%0.43SS*.THydrogen-bonded Turntrans-54.2121.9-177.1-170.7165.6-172.9164.50110.8R152K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.37Å
151G82.3Confident91.7Very high84 Ų8485.7 Ų85.787%0.86644%0.441SS*.THydrogen-bonded Turntrans71.910.2-179.600000116.3V149V149-G151 PolarHBondContact O-N 3.17Å
152R84.4Confident91.5Very high222 Ų22283.9 Ų83.984%0.83844%0.44SS*.THydrogen-bonded Turntrans-132.3-7.7178.7-66-173.4177.2171.6-0.3115.8V149 K150V149-R152 HydrophobicContact CB-CB 4.23Å; V149-R152 HydrophobicContact CG1-CB 3.94Å; V149-R152 HydrophobicContact CG1-CG 4.34Å; V149-R152 PolarHBondContact O-N 2.73Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.37Å
153G89.8Confident91.3Very high13 Ų1387.5 Ų87.513%0.13446%0.457CS..EExtended strand (participates in β ladder)trans90.6-153.7-177.400000112.6V149V149-G153 PolarHBondContact N-O 3.49Å; V149-G153 PolarHBondContact O-N 3.4Å
154C94.9Very high91.3Very high20 Ų2084.7 Ų84.714%0.13545%0.445CS..EExtended strand (participates in β ladder)trans-95.7134.6-177.3-61.60000113C142 C156 L163 C165C142-C154 WeakPolarHBondContact CA-SG 3.35Å; C142-C154 HydrophobicContact CB-CB 3.8Å; C142-C154 WeakPolarHBondContact CB-SG 3.44Å; C142-C154 WeakPolarHBondContact SG-CB 3.42Å; C142-C154 CovalentContact SG-SG 2.03Å; C142-C154 PolarHBondContact SG-SG 2.91Å; C154-C156 PolarHBondContact O-N 2.96Å; C154-L163 WeakPolarHBondContact CB-O 3.43Å; C154-L163 PolarHBondContact N-O 3.27Å; C154-C165 WeakPolarHBondContact CB-SG 3.5Å
155L95.3Very high91.3Very high116 Ų11681.8 Ų81.861%0.60743%0.43SS*.EExtended strand (participates in β ladder)trans-84.4103166-73.5176.6000109.6G146 T147 V149G146-L155 CarbonylContact C-O 3.23Å; G146-L155 WeakPolarHBondContact CA-O 3.35Å; T147-L155 PolarHBondContact N-O 2.85Å; T147-L155 PolarHBondContact O-N 2.96Å; V149-L155 HydrophobicContact CG2-CD1 3.52Å; V149-L155 HydrophobicContact CG2-CG 3.63Å
156C94.3Very high91.3Very high45 Ų4578 Ų7830%0.30441%0.412SS..PPolyproline II helixtrans-80.3141-176.7-51.20000113.2C154 Y160 C165C154-C156 PolarHBondContact O-N 2.96Å; C156-Y160 WeakPolarHBondContact CB-O 3.03Å; C156-C165 WeakPolarHBondContact CA-SG 3.41Å; C156-C165 HydrophobicContact CB-CB 3.73Å; C156-C165 WeakPolarHBondContact CB-SG 3.21Å; C156-C165 WeakPolarHBondContact SG-CA 3.45Å; C156-C165 WeakPolarHBondContact SG-CB 3.49Å; C156-C165 CovalentContact SG-SG 2.03Å; C156-C165 PolarHBondContact SG-SG 3.05Å
157R93Very high91.2Very high176 Ų17679.8 Ų79.866%0.66442%0.421SS*.PPolyproline II helixtrans-85.7130.5170.4-176.5176.3178.9165.41109.3Y160R157-Y160 WeakPolarHBondContact O-CB 3.21Å; R157-Y160 WeakPolarHBondContact O-CD2 3.03Å; R157-Y160 PolarHBondContact O-N 3.18Å
158F89.3Confident90.9Very high167 Ų16779 Ų7973%0.73241%0.412SS*.THydrogen-bonded Turntrans-54134.4173.2-175.1-87.5000110.9L169F158-L169 HydrophobicContact CE2-CD2 3.9Å
159P90.5Very high90.5Very high36 Ų3678.3 Ų78.323%0.23440%0.403CS..THydrogen-bonded Turncis-92.715.611.336.7-36.3000116.3E168 L169P159-E168 HydrophobicContact CB-CG 4.2Å; P159-E168 HydrophobicContact CG-CG 3.76Å; P159-E168 VanDerWaalsContact CG-OE1 3.22Å; P159-E168 WeakPolarHBondContact CG-OE1 2.99Å; P159-L169 HydrophobicContact CB-CB 4.49Å; P159-L169 WeakPolarHBondContact O-CB 3.22Å; P159-L169 PolarHBondContact O-N 2.03Å
160Y93.1Very high89.8Confident72 Ų7278.9 Ų78.928%0.28241%0.409SS..EExtended strand (participates in β ladder)trans-84.4147.2-175.7-57.9-79.6000113.9N144 C156 R157 T167 E168N144-Y160 HydrophobicContact CB-CD1 3.63Å; N144-Y160 HydrophobicContact CB-CD2 3.61Å; N144-Y160 HydrophobicContact CB-CE1 3.86Å; N144-Y160 HydrophobicContact CB-CE2 3.83Å; N144-Y160 HydrophobicContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CG-CE1 3.49Å; N144-Y160 WeakPolarHBondContact ND2-CD1 3.34Å; C156-Y160 WeakPolarHBondContact CB-O 3.03Å; R157-Y160 WeakPolarHBondContact O-CB 3.21Å; R157-Y160 WeakPolarHBondContact O-CD2 3.03Å; R157-Y160 PolarHBondContact O-N 3.18Å; Y160-T167 CarbonylContact C-O 3.59Å; Y160-T167 WeakPolarHBondContact CA-O 3.17Å; Y160-E168 HydrophobicContact CD1-CB 4Å; Y160-E168 HydrophobicContact CD1-CG 4.11Å; Y160-E168 HydrophobicContact CE1-CB 3.9Å; Y160-E168 HydrophobicContact CE1-CG 3.89Å
161V90.8Very high88.8Confident47 Ų4777.4 Ų77.429%0.28541%0.405SS..EExtended strand (participates in β ladder)trans-145.3174.5179.2-62.40000110.3C165 E166 T167 L172V161-C165 CarbonylContact O-C 3.52Å; V161-C165 WeakPolarHBondContact O-CA 3.24Å; V161-E166 PolarHBondContact O-N 2.61Å; V161-T167 HydrophobicContact CG2-CG2 4.38Å; V161-T167 PolarHBondContact N-O 3.07Å; V161-T167 PolarHBondContact O-N 3.34Å; V161-T167 VanDerWaalsContact O-O 3.06Å; V161-L172 HydrophobicContact CG2-CD1 3.53Å
162G89.8Confident87.8Confident37 Ų3779 Ų7938%0.38139%0.393SS..SBendtrans110.8172.4-173.300000112H164 E166G162-H164 VanDerWaalsContact C-N 3.3Å; G162-E166 VanDerWaalsContact CA-OE1 3.24Å; G162-E166 WeakPolarHBondContact CA-OE1 3.32Å; G162-E166 WeakPolarHBondContact CA-OE2 3.37Å
163L91.2Very high86.6Confident99 Ų9971 Ų7152%0.51837%0.369SS..SBendtrans-70.6-32-177.6178.159.8000111.9I140 C154 E166I140-L163 HydrophobicContact CD1-CD1 4.22Å; I140-L163 HydrophobicContact CD1-CG 4.1Å; I140-L163 WeakPolarHBondContact CD1-O 3.34Å; C154-L163 WeakPolarHBondContact CB-O 3.43Å; C154-L163 PolarHBondContact N-O 3.27Å; L163-E166 PolarHBondContact N-OE1 2.98Å; L163-E166 PolarHBondContact N-OE2 2.83Å
164H94.1Very high84.8Confident14 Ų1478.6 Ų78.67%0.06540%0.401CS..SBendtrans-11210.5179.8-55.2-85.7000111.8N131 F132 I140 L141 F143 G162 E166N131-H164 WeakPolarHBondContact CB-CE1 3.37Å; N131-H164 VanDerWaalsContact CB-ND1 3.34Å; N131-H164 WeakPolarHBondContact CB-ND1 3.01Å; N131-H164 PolarHBondContact O-CE1 3.38Å; F132-H164 AromaticContact CE2-CE1 3.56Å; F132-H164 AromaticContact CE2-NE2 3.84Å; F132-H164 AromaticContact CZ-CE1 3.88Å; I140-H164 VanDerWaalsContact CG1-CE1 3.48Å; I140-H164 WeakPolarHBondContact CG1-CE1 3.45Å; I140-H164 WeakPolarHBondContact CG1-ND1 3.41Å; L141-H164 WeakPolarHBondContact O-CB 3.47Å; L141-H164 PolarHBondContact O-ND1 3.22Å; F143-H164 HydrophobicContact CD2-CB 3.72Å; F143-H164 WeakPolarHBondContact CD2-O 3.35Å; F143-H164 HydrophobicContact CE2-CB 3.87Å; F143-H164 PolarHBondContact N-O 2.86Å; G162-H164 VanDerWaalsContact C-N 3.3Å; H164-E166 WeakPolarHBondContact CA-OE2 3.41Å; H164-E166 WeakPolarHBondContact CB-OE2 3.21Å; H164-E166 PolarHBondContact N-OE2 3.04Å; H164-E166 PolarHBondContact O-N 3.36Å
165C94Very high82.6Confident0 Ų085.4 Ų85.40%043%0.429CS..SBendtrans6128.1-171.9-46.30000114.3N144 C154 C156 V161N144-C165 PolarHBondContact ND2-O 2.78Å; C154-C165 WeakPolarHBondContact CB-SG 3.5Å; C156-C165 WeakPolarHBondContact CA-SG 3.41Å; C156-C165 HydrophobicContact CB-CB 3.73Å; C156-C165 WeakPolarHBondContact CB-SG 3.21Å; C156-C165 WeakPolarHBondContact SG-CA 3.45Å; C156-C165 WeakPolarHBondContact SG-CB 3.49Å; C156-C165 CovalentContact SG-SG 2.03Å; C156-C165 PolarHBondContact SG-SG 3.05Å; V161-C165 CarbonylContact O-C 3.52Å; V161-C165 WeakPolarHBondContact O-CA 3.24Å
166E92.9Very high80.4Confident87 Ų8783.4 Ų83.441%0.40742%0.423SS..  trans-71.9-25.4-174.267.2-77.3-179.300114.5F143 V161 G162 L163 H164F143-E166 HydrophobicContact CD2-CB 4.06Å; V161-E166 PolarHBondContact O-N 2.61Å; G162-E166 VanDerWaalsContact CA-OE1 3.24Å; G162-E166 WeakPolarHBondContact CA-OE1 3.32Å; G162-E166 WeakPolarHBondContact CA-OE2 3.37Å; L163-E166 PolarHBondContact N-OE1 2.98Å; L163-E166 PolarHBondContact N-OE2 2.83Å; H164-E166 WeakPolarHBondContact CA-OE2 3.41Å; H164-E166 WeakPolarHBondContact CB-OE2 3.21Å; H164-E166 PolarHBondContact N-OE2 3.04Å; H164-E166 PolarHBondContact O-N 3.36Å
167T90.6Very high78.4Confident48 Ų4885.5 Ų85.529%0.29444%0.437SS..EExtended strand (participates in β ladder)trans-107.4131.9-173-58.50000111.2Y160 V161 L172Y160-T167 CarbonylContact C-O 3.59Å; Y160-T167 WeakPolarHBondContact CA-O 3.17Å; V161-T167 HydrophobicContact CG2-CG2 4.38Å; V161-T167 PolarHBondContact N-O 3.07Å; V161-T167 PolarHBondContact O-N 3.34Å; V161-T167 VanDerWaalsContact O-O 3.06Å; T167-L172 HydrophobicContact CG2-CD1 3.62Å; T167-L172 HydrophobicContact CG2-CG 3.78Å
168E89.3Confident76.5Confident68 Ų6880.9 Ų80.932%0.31843%0.426SS..EExtended strand (participates in β ladder)trans-82.4133167.3-160-168.6-169.200110.2P159 Y160 S170 H171P159-E168 HydrophobicContact CB-CG 4.2Å; P159-E168 HydrophobicContact CG-CG 3.76Å; P159-E168 VanDerWaalsContact CG-OE1 3.22Å; P159-E168 WeakPolarHBondContact CG-OE1 2.99Å; Y160-E168 HydrophobicContact CD1-CB 4Å; Y160-E168 HydrophobicContact CD1-CG 4.11Å; Y160-E168 HydrophobicContact CE1-CB 3.9Å; Y160-E168 HydrophobicContact CE1-CG 3.89Å; E168-S170 WeakPolarHBondContact CB-OG 3.45Å; E168-S170 WeakPolarHBondContact CG-OG 3.07Å; E168-S170 PolarHBondContact O-N 2.88Å; E168-S170 VanDerWaalsContact O-N 3.07Å; E168-S170 WeakPolarHBondContact OE2-CB 3.22Å; E168-S170 PolarHBondContact OE2-OG 2.82Å; E168-H171 PolarHBondContact O-N 3.44Å
169L84.2Confident74.7Confident58 Ų5875.4 Ų75.430%0.30441%0.409SS..Hα-helixtrans-60.3-19.6-180-172.966.5000113F158 P159 H171 L172 V173F158-L169 HydrophobicContact CE2-CD2 3.9Å; P159-L169 HydrophobicContact CB-CB 4.49Å; P159-L169 WeakPolarHBondContact O-CB 3.22Å; P159-L169 PolarHBondContact O-N 2.03Å; L169-H171 PolarHBondContact O-N 3.25Å; L169-L172 HydrophobicContact CD1-CB 4.31Å; L169-L172 PolarHBondContact O-N 2.88Å; L169-V173 HydrophobicContact CD1-CG2 3.71Å; L169-V173 HydrophobicContact CG-CG2 3.9Å; L169-V173 PolarHBondContact O-N 2.74Å
170S75.8Confident73Confident57 Ų5781.5 Ų81.540%0.39943%0.427SS..Hα-helixtrans-53.6-37.3170.358.90000113.2E168 V173E168-S170 WeakPolarHBondContact CB-OG 3.45Å; E168-S170 WeakPolarHBondContact CG-OG 3.07Å; E168-S170 PolarHBondContact O-N 2.88Å; E168-S170 VanDerWaalsContact O-N 3.07Å; E168-S170 WeakPolarHBondContact OE2-CB 3.22Å; E168-S170 PolarHBondContact OE2-OG 2.82Å; S170-V173 CarbonylContact O-C 3.31Å
171H64.5Low71.4Confident160 Ų16082.7 Ų82.774%0.74144%0.442SS*.Hα-helixtrans-84.7-24.5-179.8-75.6-82.6000113.4E168 L169E168-H171 PolarHBondContact O-N 3.44Å; L169-H171 PolarHBondContact O-N 3.25Å
172L61.1Low70Confident116 Ų11685.5 Ų85.561%0.60745%0.45SS*.Hα-helixtrans-86.7-28175.9-72169.5000112.5V161 T167 L169V161-L172 HydrophobicContact CG2-CD1 3.53Å; T167-L172 HydrophobicContact CG2-CD1 3.62Å; T167-L172 HydrophobicContact CG2-CG 3.78Å; L169-L172 HydrophobicContact CD1-CB 4.31Å; L169-L172 PolarHBondContact O-N 2.88Å
173V59.4Low68.9Low56 Ų5689.2 Ų89.234%0.33945%0.453SS..  trans-113.969.2173.9-161.40000108.5L169 S170 F175L169-V173 HydrophobicContact CD1-CG2 3.71Å; L169-V173 HydrophobicContact CG-CG2 3.9Å; L169-V173 PolarHBondContact O-N 2.74Å; S170-V173 CarbonylContact O-C 3.31Å; V173-F175 HydrophobicContact CB-CD2 4.23Å; V173-F175 HydrophobicContact CB-CE2 4.08Å; V173-F175 HydrophobicContact CG1-CD1 3.93Å; V173-F175 HydrophobicContact CG1-CD2 3.56Å; V173-F175 HydrophobicContact CG1-CE1 3.82Å; V173-F175 HydrophobicContact CG1-CE2 3.43Å; V173-F175 VanDerWaalsContact CG1-CE2 3.43Å; V173-F175 HydrophobicContact CG1-CG 3.81Å; V173-F175 HydrophobicContact CG1-CZ 3.58Å; V173-F175 WeakPolarHBondContact O-CD2 3.14Å; V173-F175 PolarHBondContact O-N 2.84Å
174E53.4Low68.1Low172 Ų17289.8 Ų89.880%0.80445%0.448SS*.  trans-6377.2156.1-174.6166.1-14000108P176E174-P176 WeakPolarHBondContact O-CD 3.44Å
175F48.5Very low67.2Low163 Ų16393 Ų9372%0.71547%0.473SS*.  trans-54.8113.3170.1-76.9-78.4000106.6V173 S177V173-F175 HydrophobicContact CB-CD2 4.23Å; V173-F175 HydrophobicContact CB-CE2 4.08Å; V173-F175 HydrophobicContact CG1-CD1 3.93Å; V173-F175 HydrophobicContact CG1-CD2 3.56Å; V173-F175 HydrophobicContact CG1-CE1 3.82Å; V173-F175 HydrophobicContact CG1-CE2 3.43Å; V173-F175 VanDerWaalsContact CG1-CE2 3.43Å; V173-F175 HydrophobicContact CG1-CG 3.81Å; V173-F175 HydrophobicContact CG1-CZ 3.58Å; V173-F175 WeakPolarHBondContact O-CD2 3.14Å; V173-F175 PolarHBondContact O-N 2.84Å; F175-S177 PolarHBondContact O-N 3.37Å
176P49.1Very low66.5Low74 Ų74101.4 Ų101.448%0.48151%0.506SS..  trans-66.899.8-176.422-28.7000108.5E174 D178 S179E174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-D178 PolarHBondContact O-N 2.84Å; P176-S179 WeakPolarHBondContact O-CA 3.42Å; P176-S179 VanDerWaalsContact O-CB 3.24Å; P176-S179 WeakPolarHBondContact O-CB 3.24Å; P176-S179 PolarHBondContact O-N 3.3Å; P176-S179 PolarHBondContact O-OG 3.03Å
177S51.5Low66Low88 Ų88101.8 Ų101.862%0.61551%0.51SS*.Hα-helixtrans-56.4-36.7172.752.50000110.3F175 S179 R180 V181F175-S177 PolarHBondContact O-N 3.37Å; S177-S179 VanDerWaalsContact C-N 3.28Å; S177-S179 PolarHBondContact O-N 3.42Å; S177-R180 WeakPolarHBondContact O-CB 3.44Å; S177-R180 PolarHBondContact O-N 2.76Å; S177-V181 PolarHBondContact O-N 2.61Å
178D52.5Low65.8Low79 Ų79105.3 Ų105.342%0.42252%0.521SS..Hα-helixtrans-56.7-30.7168-177.842.4000114P176 R180 V181 K182P176-D178 PolarHBondContact O-N 2.84Å; D178-R180 VanDerWaalsContact C-N 3.3Å; D178-R180 PolarHBondContact O-N 2.85Å; D178-V181 PolarHBondContact O-N 3.33Å; D178-K182 WeakPolarHBondContact O-CB 3.17Å; D178-K182 VanDerWaalsContact O-CG 3.31Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 2.62Å; D178-K182 VanDerWaalsContact OD1-CE 3.31Å; D178-K182 WeakPolarHBondContact OD1-CE 3.11Å; D178-K182 IonicContact OD1-NZ 2.74Å; D178-K182 WeakPolarHBondContact OD2-CE 3.5Å; D178-K182 IonicContact OD2-NZ 3Å; D178-K182 PolarHBondContact OD2-NZ 2.89Å
179S51.7Low65.7Low53 Ų53104 Ų10437%0.37153%0.526SS..Hα-helixtrans-66.6-30.2172.176.50000112.9P176 S177 W183P176-S179 WeakPolarHBondContact O-CA 3.42Å; P176-S179 VanDerWaalsContact O-CB 3.24Å; P176-S179 WeakPolarHBondContact O-CB 3.24Å; P176-S179 PolarHBondContact O-N 3.3Å; P176-S179 PolarHBondContact O-OG 3.03Å; S177-S179 VanDerWaalsContact C-N 3.28Å; S177-S179 PolarHBondContact O-N 3.42Å; S179-W183 VanDerWaalsContact O-CD1 3.26Å; S179-W183 PolarHBondContact O-N 2.99Å
180R54.4Low66Low163 Ų163104.7 Ų104.762%0.61553%0.533SS*.Hα-helixtrans-67.8-48173.1-72-162.1-87.5-150.4-6.5110.4S177 D178 K182 W183 Y184S177-R180 WeakPolarHBondContact O-CB 3.44Å; S177-R180 PolarHBondContact O-N 2.76Å; D178-R180 VanDerWaalsContact C-N 3.3Å; D178-R180 PolarHBondContact O-N 2.85Å; R180-K182 VanDerWaalsContact C-N 3.3Å; R180-K182 PolarHBondContact O-N 3.28Å; R180-W183 PolarHBondContact O-N 3.5Å; R180-Y184 WeakPolarHBondContact O-CD2 3.31Å; R180-Y184 PolarHBondContact O-N 3.06Å
181V61Low66.8Low98 Ų98105.6 Ų105.659%0.59454%0.539SS*.Hα-helixtrans-59.1-43.5176.1-173.40000110.9S177 D178 S185S177-V181 PolarHBondContact O-N 2.61Å; D178-V181 PolarHBondContact O-N 3.33Å; V181-S185 WeakPolarHBondContact O-CB 3.28Å; V181-S185 PolarHBondContact O-N 3.01Å
182K60.9Low68.1Low105 Ų105104.3 Ų104.346%0.45753%0.531SS..Hα-helixtrans-64-47.1177.1-74.7168.3176.2170.80112.8D178 R180 Y184 S185 Y186D178-K182 WeakPolarHBondContact O-CB 3.17Å; D178-K182 VanDerWaalsContact O-CG 3.31Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 2.62Å; D178-K182 VanDerWaalsContact OD1-CE 3.31Å; D178-K182 WeakPolarHBondContact OD1-CE 3.11Å; D178-K182 IonicContact OD1-NZ 2.74Å; D178-K182 WeakPolarHBondContact OD2-CE 3.5Å; D178-K182 IonicContact OD2-NZ 3Å; D178-K182 PolarHBondContact OD2-NZ 2.89Å; R180-K182 VanDerWaalsContact C-N 3.3Å; R180-K182 PolarHBondContact O-N 3.28Å; K182-Y184 PolarHBondContact O-N 3.35Å; K182-S185 WeakPolarHBondContact O-CB 3.44Å; K182-S185 PolarHBondContact O-N 3.39Å; K182-Y186 HydrophobicContact CB-CE2 4.37Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.41Å
183W66.7Low69.7Low116 Ų116101.3 Ų101.344%0.43952%0.52SS..Hα-helixtrans-66.2-40178.981-119.2000112.4S179 R180 S185 Y186 L187S179-W183 VanDerWaalsContact O-CD1 3.26Å; S179-W183 PolarHBondContact O-N 2.99Å; R180-W183 PolarHBondContact O-N 3.5Å; W183-S185 VanDerWaalsContact C-N 3.32Å; W183-S185 PolarHBondContact O-N 3.5Å; W183-Y186 PolarHBondContact O-N 2.94Å; W183-L187 HydrophobicContact CE3-CD1 3.6Å; W183-L187 HydrophobicContact CZ3-CD1 3.79Å; W183-L187 WeakPolarHBondContact O-CB 3.35Å; W183-L187 PolarHBondContact O-N 3.05Å
184Y73.6Confident71.4Confident110 Ų110103.6 Ų103.643%0.43153%0.529SS..Hα-helixtrans-58.7-45.2172.2-80.7-63000110.9R180 K182 Y186 L187 F188R180-Y184 WeakPolarHBondContact O-CD2 3.31Å; R180-Y184 PolarHBondContact O-N 3.06Å; K182-Y184 PolarHBondContact O-N 3.35Å; Y184-Y186 PolarHBondContact O-N 2.6Å; Y184-L187 PolarHBondContact O-N 2.87Å; Y184-F188 HydrophobicContact CD1-CD2 4.48Å; Y184-F188 AromaticContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CZ 4.4Å; Y184-F188 HydrophobicContact CG-CE2 4.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.07Å; Y184-F188 WeakPolarHBondContact O-CD2 3.4Å; Y184-F188 PolarHBondContact O-N 3.21Å
185S76.1Confident73.4Confident82 Ų82101.6 Ų101.657%0.57352%0.518SS*.Hα-helixtrans-60.4-43.5178.7-166.50000112.7V181 K182 W183 G189V181-S185 WeakPolarHBondContact O-CB 3.28Å; V181-S185 PolarHBondContact O-N 3.01Å; K182-S185 WeakPolarHBondContact O-CB 3.44Å; K182-S185 PolarHBondContact O-N 3.39Å; W183-S185 VanDerWaalsContact C-N 3.32Å; W183-S185 PolarHBondContact O-N 3.5Å; S185-G189 PolarHBondContact O-N 2.75Å
186Y79.8Confident75.6Confident176 Ų17699 Ų9969%0.6951%0.511SS*.Hα-helixtrans-66.9-41.7175.4-70.4-61000113.1K182 W183 Y184 T190K182-Y186 HydrophobicContact CB-CE2 4.37Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.41Å; W183-Y186 PolarHBondContact O-N 2.94Å; Y184-Y186 PolarHBondContact O-N 2.6Å; Y186-T190 WeakPolarHBondContact O-CB 3.11Å; Y186-T190 WeakPolarHBondContact O-CG2 3.44Å; Y186-T190 PolarHBondContact O-N 2.9Å; Y186-T190 PolarHBondContact O-OG1 3.36Å
187L81.8Confident77.8Confident95 Ų95100.8 Ų100.850%0.49752%0.515SS..Hα-helixtrans-69.1-43.3179-100.4158000112.1W183 Y184 T190 C191W183-L187 HydrophobicContact CE3-CD1 3.6Å; W183-L187 HydrophobicContact CZ3-CD1 3.79Å; W183-L187 WeakPolarHBondContact O-CB 3.35Å; W183-L187 PolarHBondContact O-N 3.05Å; Y184-L187 PolarHBondContact O-N 2.87Å; L187-T190 PolarHBondContact O-OG1 3.31Å; L187-T190 VanDerWaalsContact O-OG1 3.13Å; L187-C191 WeakPolarHBondContact O-CB 3.47Å; L187-C191 PolarHBondContact O-N 2.95Å; L187-C191 PolarHBondContact O-SG 3.45Å
188F87Confident79.9Confident122 Ų122102 Ų10254%0.53551%0.513SS..Hα-helixtrans-65.9-45.4173.3-72.2-58.8000111.4Y184 T190 C191 F192Y184-F188 HydrophobicContact CD1-CD2 4.48Å; Y184-F188 AromaticContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CZ 4.4Å; Y184-F188 HydrophobicContact CG-CE2 4.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.07Å; Y184-F188 WeakPolarHBondContact O-CD2 3.4Å; Y184-F188 PolarHBondContact O-N 3.21Å; F188-T190 VanDerWaalsContact C-N 3.33Å; F188-T190 PolarHBondContact O-N 3.36Å; F188-C191 PolarHBondContact O-N 3.45Å; F188-F192 HydrophobicContact CB-CD2 4.39Å; F188-F192 WeakPolarHBondContact O-CB 3.38Å; F188-F192 VanDerWaalsContact O-CD2 3.25Å; F188-F192 WeakPolarHBondContact O-CD2 3.46Å; F188-F192 PolarHBondContact O-N 2.84Å
189G87.5Confident82Confident41 Ų41101.7 Ų101.742%0.42351%0.514SS..Hα-helixtrans-59.8-39.1179.100000113.8S185 S193S185-G189 PolarHBondContact O-N 2.75Å; G189-S193 WeakPolarHBondContact O-CB 3.43Å; G189-S193 PolarHBondContact O-N 3.31Å; G189-S193 PolarHBondContact O-OG 2.96Å
190T90Very high84Confident72 Ų72103.9 Ų103.944%0.44252%0.524SS..Hα-helixtrans-73.2-40.7174.849.10000112.6Y186 L187 F188 F192 S193 I194Y186-T190 WeakPolarHBondContact O-CB 3.11Å; Y186-T190 WeakPolarHBondContact O-CG2 3.44Å; Y186-T190 PolarHBondContact O-N 2.9Å; Y186-T190 PolarHBondContact O-OG1 3.36Å; L187-T190 PolarHBondContact O-OG1 3.31Å; L187-T190 VanDerWaalsContact O-OG1 3.13Å; F188-T190 VanDerWaalsContact C-N 3.33Å; F188-T190 PolarHBondContact O-N 3.36Å; T190-F192 PolarHBondContact O-N 3.37Å; T190-S193 PolarHBondContact O-N 3.13Å; T190-S193 PolarHBondContact O-OG 2.84Å; T190-S193 VanDerWaalsContact O-OG 3.11Å; T190-I194 WeakPolarHBondContact O-CB 3.44Å; T190-I194 WeakPolarHBondContact O-CD1 3.45Å; T190-I194 VanDerWaalsContact O-CG1 3.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.25Å; T190-I194 PolarHBondContact O-N 3.27Å
191C91.4Very high86Confident77 Ų7798.6 Ų98.652%0.5252%0.516SS..Hα-helixtrans-62.1-41.8173.2-730000112.5L187 F188 F195L187-C191 WeakPolarHBondContact O-CB 3.47Å; L187-C191 PolarHBondContact O-N 2.95Å; L187-C191 PolarHBondContact O-SG 3.45Å; F188-C191 PolarHBondContact O-N 3.45Å; C191-F195 WeakPolarHBondContact O-CB 3.24Å; C191-F195 PolarHBondContact O-N 3.03Å
192F92.8Very high87.6Confident132 Ų13299.2 Ų99.258%0.57951%0.513SS*.Hα-helixtrans-67.1-41.7176.4-86.5-68.5000112.6F188 T190 F195 L196F188-F192 HydrophobicContact CB-CD2 4.39Å; F188-F192 WeakPolarHBondContact O-CB 3.38Å; F188-F192 VanDerWaalsContact O-CD2 3.25Å; F188-F192 WeakPolarHBondContact O-CD2 3.46Å; F188-F192 PolarHBondContact O-N 2.84Å; T190-F192 PolarHBondContact O-N 3.37Å; F192-F195 PolarHBondContact O-N 3.49Å; F192-L196 WeakPolarHBondContact O-CG 3.35Å; F192-L196 PolarHBondContact O-N 3.3Å
193S94.5Very high89.2Confident54 Ų5496.6 Ų96.638%0.37851%0.512SS..Hα-helixtrans-66.7-41.7178.368.30000111.9G189 T190 F195 L196 I197G189-S193 WeakPolarHBondContact O-CB 3.43Å; G189-S193 PolarHBondContact O-N 3.31Å; G189-S193 PolarHBondContact O-OG 2.96Å; T190-S193 PolarHBondContact O-N 3.13Å; T190-S193 PolarHBondContact O-OG 2.84Å; T190-S193 VanDerWaalsContact O-OG 3.11Å; S193-F195 PolarHBondContact O-N 3.02Å; S193-L196 PolarHBondContact O-N 2.94Å; S193-I197 WeakPolarHBondContact O-CB 3.33Å; S193-I197 WeakPolarHBondContact O-CD1 3.49Å; S193-I197 VanDerWaalsContact O-CG1 3.23Å; S193-I197 WeakPolarHBondContact O-CG1 3.34Å; S193-I197 PolarHBondContact O-N 3.49Å
194I94.3Very high90.4Very high103 Ų10393.2 Ų93.253%0.52851%0.508SS..Hα-helixtrans-60.9-44.2173.1-68166.5000110.8T190 I197 M198T190-I194 WeakPolarHBondContact O-CB 3.44Å; T190-I194 WeakPolarHBondContact O-CD1 3.45Å; T190-I194 VanDerWaalsContact O-CG1 3.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.25Å; T190-I194 PolarHBondContact O-N 3.27Å; I194-I197 PolarHBondContact O-N 3Å; I194-M198 HydrophobicContact CG2-CG 4.49Å; I194-M198 WeakPolarHBondContact O-CG 3.46Å; I194-M198 PolarHBondContact O-N 3.43Å
195F95.8Very high91.4Very high130 Ų13094 Ų9457%0.5751%0.511SS*.Hα-helixtrans-60.6-46176.9-179.9-98.7000112.2C191 F192 S193 M198 V199C191-F195 WeakPolarHBondContact O-CB 3.24Å; C191-F195 PolarHBondContact O-N 3.03Å; F192-F195 PolarHBondContact O-N 3.49Å; S193-F195 PolarHBondContact O-N 3.02Å; F195-M198 PolarHBondContact O-N 3.11Å; F195-V199 HydrophobicContact CD1-CG2 4.24Å; F195-V199 HydrophobicContact CE1-CG2 3.82Å; F195-V199 HydrophobicContact CE2-CG2 4.33Å; F195-V199 HydrophobicContact CZ-CG2 3.87Å; F195-V199 WeakPolarHBondContact O-CG2 3.48Å; F195-V199 PolarHBondContact O-N 2.92Å
196L95.3Very high92.2Very high108 Ų10893.1 Ų93.157%0.56551%0.505SS*.Hα-helixtrans-63.4-41.7176.8-70.3173.6000112.1F192 S193 M198 V199 V200F192-L196 WeakPolarHBondContact O-CG 3.35Å; F192-L196 PolarHBondContact O-N 3.3Å; S193-L196 PolarHBondContact O-N 2.94Å; L196-M198 VanDerWaalsContact C-N 3.33Å; L196-M198 PolarHBondContact O-N 3.35Å; L196-V199 PolarHBondContact O-N 3.34Å; L196-V200 WeakPolarHBondContact O-CB 3.35Å; L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 3.34Å
197I95.5Very high92.7Very high112 Ų11289.9 Ų89.957%0.57450%0.498SS*.Hα-helixtrans-59.6-43.9174.1-70.4163.4000110.6S193 I194 V200 A201S193-I197 WeakPolarHBondContact O-CB 3.33Å; S193-I197 WeakPolarHBondContact O-CD1 3.49Å; S193-I197 VanDerWaalsContact O-CG1 3.23Å; S193-I197 WeakPolarHBondContact O-CG1 3.34Å; S193-I197 PolarHBondContact O-N 3.49Å; I194-I197 PolarHBondContact O-N 3Å; I197-V200 PolarHBondContact O-N 2.93Å; I197-A201 VanDerWaalsContact O-CB 3.24Å; I197-A201 WeakPolarHBondContact O-CB 3.33Å; I197-A201 PolarHBondContact O-N 3.29Å
198M95Very high93Very high114 Ų11490.4 Ų90.456%0.56250%0.501SS*.Hα-helixtrans-65.1-40.4177.1-72.2-63.7-6900112.6I194 F195 L196 A201 M202I194-M198 HydrophobicContact CG2-CG 4.49Å; I194-M198 WeakPolarHBondContact O-CG 3.46Å; I194-M198 PolarHBondContact O-N 3.43Å; F195-M198 PolarHBondContact O-N 3.11Å; L196-M198 VanDerWaalsContact C-N 3.33Å; L196-M198 PolarHBondContact O-N 3.35Å; M198-A201 PolarHBondContact O-N 3.24Å; M198-M202 WeakPolarHBondContact O-CB 3.45Å; M198-M202 VanDerWaalsContact O-CG 3.27Å; M198-M202 WeakPolarHBondContact O-CG 3.23Å; M198-M202 PolarHBondContact O-N 2.97Å
199V96Very high93.1Very high73 Ų7391.7 Ų91.744%0.44250%0.503SS..Hα-helixtrans-64.4-44.4175.2170.60000111.3F195 L196 M202 A203F195-V199 HydrophobicContact CD1-CG2 4.24Å; F195-V199 HydrophobicContact CE1-CG2 3.82Å; F195-V199 HydrophobicContact CE2-CG2 4.33Å; F195-V199 HydrophobicContact CZ-CG2 3.87Å; F195-V199 WeakPolarHBondContact O-CG2 3.48Å; F195-V199 PolarHBondContact O-N 2.92Å; L196-V199 PolarHBondContact O-N 3.34Å; V199-M202 PolarHBondContact O-N 2.91Å; V199-A203 WeakPolarHBondContact O-CB 3.35Å; V199-A203 PolarHBondContact O-N 3.45Å
200V95.4Very high92.9Very high98 Ų9897.1 Ų97.159%0.59452%0.515SS*.Hα-helixtrans-65.3-42.2176.6171.50000111.2L196 I197 A203 A204L196-V200 WeakPolarHBondContact O-CB 3.35Å; L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 3.34Å; I197-V200 PolarHBondContact O-N 2.93Å; V200-A203 PolarHBondContact O-N 3.3Å; V200-A204 WeakPolarHBondContact O-CB 3.39Å; V200-A204 PolarHBondContact O-N 2.92Å
201A95.3Very high92.5Very high53 Ų53102.5 Ų102.544%0.43853%0.527SS..Hα-helixtrans-63-41.2175.700000112I197 M198 A204 Y205I197-A201 VanDerWaalsContact O-CB 3.24Å; I197-A201 WeakPolarHBondContact O-CB 3.33Å; I197-A201 PolarHBondContact O-N 3.29Å; M198-A201 PolarHBondContact O-N 3.24Å; A201-A204 PolarHBondContact O-N 2.89Å; A201-Y205 VanDerWaalsContact O-CB 3.27Å; A201-Y205 WeakPolarHBondContact O-CB 3.24Å; A201-Y205 PolarHBondContact O-N 3.47Å
202M95.4Very high91.7Very high110 Ų110106.3 Ų106.354%0.54254%0.535SS..Hα-helixtrans-65.9-42.1174.3-76.6-66.2-70.400112.2M198 V199 Y205 C206M198-M202 WeakPolarHBondContact O-CB 3.45Å; M198-M202 VanDerWaalsContact O-CG 3.27Å; M198-M202 WeakPolarHBondContact O-CG 3.23Å; M198-M202 PolarHBondContact O-N 2.97Å; V199-M202 PolarHBondContact O-N 2.91Å; M202-Y205 PolarHBondContact O-N 2.83Å; M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.38Å; M202-C206 PolarHBondContact O-SG 3.33Å; M202-C206 VanDerWaalsContact O-SG 3.38Å
203A94.3Very high90.7Very high51 Ų51105.4 Ų105.442%0.42154%0.535SS..Hα-helixtrans-61.8-47.2174.500000111.5V199 V200 Y205 C206 L207V199-A203 WeakPolarHBondContact O-CB 3.35Å; V199-A203 PolarHBondContact O-N 3.45Å; V200-A203 PolarHBondContact O-N 3.3Å; A203-Y205 PolarHBondContact O-N 2.86Å; A203-C206 PolarHBondContact O-N 3.41Å; A203-L207 WeakPolarHBondContact O-CG 3.26Å; A203-L207 PolarHBondContact O-N 2.94Å
204A92.5Very high89.3Confident44 Ų44105.4 Ų105.436%0.36454%0.535SS..Hα-helixtrans-60.9-44175.500000111.9V200 A201 C206 L207 L208V200-A204 WeakPolarHBondContact O-CB 3.39Å; V200-A204 PolarHBondContact O-N 2.92Å; A201-A204 PolarHBondContact O-N 2.89Å; A204-C206 PolarHBondContact O-N 2.9Å; A204-L207 PolarHBondContact O-N 2.96Å; A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 3Å
205Y94.5Very high87.6Confident126 Ų126109.7 Ų109.749%0.49455%0.545SS..Hα-helixtrans-59.9-44.9174.4174.9-93.1000111.8A201 M202 A203 L207 L208 R209A201-Y205 VanDerWaalsContact O-CB 3.27Å; A201-Y205 WeakPolarHBondContact O-CB 3.24Å; A201-Y205 PolarHBondContact O-N 3.47Å; M202-Y205 PolarHBondContact O-N 2.83Å; A203-Y205 PolarHBondContact O-N 2.86Å; Y205-L207 PolarHBondContact O-N 3.06Å; Y205-L208 PolarHBondContact O-N 3.29Å; Y205-R209 VanDerWaalsContact O-CB 3.25Å; Y205-R209 WeakPolarHBondContact O-CB 3.36Å; Y205-R209 PolarHBondContact O-N 2.98Å
206C92.1Very high85.7Confident65 Ų65107.7 Ų107.744%0.43954%0.543SS..Hα-helixtrans-62.5-40.7175.7-76.80000112.6M202 A203 A204 K210M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.38Å; M202-C206 PolarHBondContact O-SG 3.33Å; M202-C206 VanDerWaalsContact O-SG 3.38Å; A203-C206 PolarHBondContact O-N 3.41Å; A204-C206 PolarHBondContact O-N 2.9Å; C206-K210 WeakPolarHBondContact O-CG 3.38Å; C206-K210 PolarHBondContact O-N 3.45Å
207L90.7Very high83.8Confident107 Ų107112.5 Ų112.556%0.5655%0.554SS**Hα-helixtrans-66.9-44.1175.4-69.9171.5000112A203 A204 Y205 K210 R211A203-L207 WeakPolarHBondContact O-CG 3.26Å; A203-L207 PolarHBondContact O-N 2.94Å; A204-L207 PolarHBondContact O-N 2.96Å; Y205-L207 PolarHBondContact O-N 3.06Å; L207-K210 PolarHBondContact O-N 2.97Å; L207-R211 WeakPolarHBondContact O-CG 3.45Å; L207-R211 PolarHBondContact O-N 3.18Å
208L88.3Confident81.7Confident106 Ų106113.3 Ų113.356%0.55556%0.557SS**Hα-helixtrans-64.5-39.3175.6-71.6171.3000111.9A204 Y205 R211 K212A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 3Å; Y205-L208 PolarHBondContact O-N 3.29Å; L208-R211 PolarHBondContact O-N 3.16Å; L208-K212 PolarHBondContact O-N 2.8Å
209R88.7Confident79.8Confident150 Ų150112.1 Ų112.157%0.56656%0.556SS**Hα-helixtrans-65.3-43.5174.9-171.1170.9177.8178.6-3.2111.2Y205 K212 L213Y205-R209 VanDerWaalsContact O-CB 3.25Å; Y205-R209 WeakPolarHBondContact O-CB 3.36Å; Y205-R209 PolarHBondContact O-N 2.98Å; R209-K212 PolarHBondContact O-N 2.87Å; R209-L213 HydrophobicContact CG-CD1 4.04Å; R209-L213 WeakPolarHBondContact O-CD1 3.39Å; R209-L213 PolarHBondContact O-N 3.28Å
210K83.6Confident77.5Confident155 Ų155113.9 Ų113.967%0.67456%0.563SS**Hα-helixtrans-58.7-45.9171.4-77.7-177.1178.1-176.50111.8C206 L207 K212 L213 S214C206-K210 WeakPolarHBondContact O-CG 3.38Å; C206-K210 PolarHBondContact O-N 3.45Å; L207-K210 PolarHBondContact O-N 2.97Å; K210-K212 VanDerWaalsContact C-N 3.35Å; K210-K212 PolarHBondContact O-N 3.13Å; K210-L213 PolarHBondContact O-N 3.07Å; K210-S214 PolarHBondContact O-N 3.49Å; K210-S214 PolarHBondContact O-OG 3.38Å
211R81.7Confident75.5Confident184 Ų184114.8 Ų114.869%0.69457%0.568SS**Hα-helixtrans-63.5-33.9176.5-75.3-179.9175.2-177.7-1.3113.3L207 L208 S214 R215L207-R211 WeakPolarHBondContact O-CG 3.45Å; L207-R211 PolarHBondContact O-N 3.18Å; L208-R211 PolarHBondContact O-N 3.16Å; R211-S214 PolarHBondContact O-OG 3.38Å; R211-R215 PolarHBondContact O-N 2.83Å
212K74.4Confident73.1Confident158 Ų158114.4 Ų114.469%0.68757%0.569SS**Hα-helixtrans-65.9-49.3171.7-77-172.6176.6-173.70111.2L208 R209 K210 S214 R215 T216L208-K212 PolarHBondContact O-N 2.8Å; R209-K212 PolarHBondContact O-N 2.87Å; K210-K212 VanDerWaalsContact C-N 3.35Å; K210-K212 PolarHBondContact O-N 3.13Å; K212-S214 PolarHBondContact O-N 3.26Å; K212-R215 PolarHBondContact O-N 2.84Å; K212-T216 PolarHBondContact O-N 3.04Å; K212-T216 PolarHBondContact O-OG1 2.93Å; K212-T216 VanDerWaalsContact O-OG1 3.12Å
213L71.5Confident70.8Confident112 Ų112113.6 Ų113.659%0.58657%0.571SS**Hα-helixtrans-62-37.9178.7-88.482.2000113.1R209 K210 T216 R217R209-L213 HydrophobicContact CG-CD1 4.04Å; R209-L213 WeakPolarHBondContact O-CD1 3.39Å; R209-L213 PolarHBondContact O-N 3.28Å; K210-L213 PolarHBondContact O-N 3.07Å; L213-T216 PolarHBondContact O-N 3.49Å; L213-R217 PolarHBondContact O-N 3.48Å
214S64.1Low68.4Low55 Ų55118.2 Ų118.239%0.38559%0.588SS.*Hα-helixtrans-68.4-39.3176.563.90000112.4K210 R211 K212 R217 M218K210-S214 PolarHBondContact O-N 3.49Å; K210-S214 PolarHBondContact O-OG 3.38Å; R211-S214 PolarHBondContact O-OG 3.38Å; K212-S214 PolarHBondContact O-N 3.26Å; S214-R217 PolarHBondContact O-N 2.89Å; S214-M218 PolarHBondContact O-N 3.49Å
215R59.7Low66.1Low192 Ų192120 Ų12073%0.72560%0.603SS**Hα-helixtrans-60.4-45.8171.2-99.3-175166-179.5-4.6112.1R211 K212 R217 M218 V219R211-R215 PolarHBondContact O-N 2.83Å; K212-R215 PolarHBondContact O-N 2.84Å; R215-R217 VanDerWaalsContact C-N 3.31Å; R215-R217 PolarHBondContact O-N 3.12Å; R215-M218 PolarHBondContact O-N 2.98Å; R215-M218 VanDerWaalsContact O-N 3.17Å; R215-V219 WeakPolarHBondContact O-CG2 3.37Å; R215-V219 PolarHBondContact O-N 3.39Å
216T56.4Low63.6Low88 Ų88119.3 Ų119.354%0.5462%0.617SS.*Hα-helixtrans-61.5-38177.3-50.50000112.2K212 L213 N220K212-T216 PolarHBondContact O-N 3.04Å; K212-T216 PolarHBondContact O-OG1 2.93Å; K212-T216 VanDerWaalsContact O-OG1 3.12Å; L213-T216 PolarHBondContact O-N 3.49Å; T216-N220 PolarHBondContact O-N 2.96Å
217R53.8Low61.1Low210 Ų210120.9 Ų120.979%0.79263%0.629SS**Hα-helixtrans-63.9-40.2173.3-96.5-173.6175173.9-0.7113.2L213 S214 R215 V221L213-R217 PolarHBondContact O-N 3.48Å; S214-R217 PolarHBondContact O-N 2.89Å; R215-R217 VanDerWaalsContact C-N 3.31Å; R215-R217 PolarHBondContact O-N 3.12Å; R217-V221 WeakPolarHBondContact O-CG2 3.44Å; R217-V221 PolarHBondContact O-N 3.1Å
218M52.6Low58.9Low128 Ų128123.3 Ų123.363%0.63164%0.642SS**Hα-helixtrans-73.6-35.2-179.8-69.7-174.4-71.100112.6S214 R215 V221 G222S214-M218 PolarHBondContact O-N 3.49Å; R215-M218 PolarHBondContact O-N 2.98Å; R215-M218 VanDerWaalsContact O-N 3.17Å; M218-V221 PolarHBondContact O-N 3.34Å; M218-G222 PolarHBondContact O-N 2.97Å
219V54Low56.6Low89 Ų89124.1 Ų124.154%0.53966%0.655SS.*Hα-helixtrans-62.2-45.9173.9172.50000111.3R215 V221 G222 T223R215-V219 WeakPolarHBondContact O-CG2 3.37Å; R215-V219 PolarHBondContact O-N 3.39Å; V219-V221 PolarHBondContact O-N 2.91Å; V219-G222 PolarHBondContact O-N 3.36Å; V219-G222 VanDerWaalsContact O-N 3.16Å; V219-T223 PolarHBondContact O-N 2.81Å
220N48.9Very low54.5Low110 Ų110125.1 Ų125.159%0.58867%0.666SS**Hα-helixtrans-73.5-4.1-179.9-74.619.6000114.8T216T216-N220 PolarHBondContact O-N 2.96Å
221V52.3Low52.4Low117 Ų117125.7 Ų125.771%0.70968%0.675SS**Hα-helixtrans-94.5-31.3169.4171.80000111R217 M218 V219R217-V221 WeakPolarHBondContact O-CG2 3.44Å; R217-V221 PolarHBondContact O-N 3.1Å; M218-V221 PolarHBondContact O-N 3.34Å; V219-V221 PolarHBondContact O-N 2.91Å
222G45Very low50.4Low45 Ų45120.1 Ų120.146%0.46468%0.676SS.*Hα-helixtrans-71.9-27.4177.400000114.8M218 V219 N224M218-G222 PolarHBondContact O-N 2.97Å; V219-G222 PolarHBondContact O-N 3.36Å; V219-G222 VanDerWaalsContact O-N 3.16Å; G222-N224 VanDerWaalsContact C-N 3.35Å; G222-N224 PolarHBondContact O-N 2.88Å
223T48.7Very low48.7Very low93 Ų93118.6 Ų118.657%0.57168%0.682SS**THydrogen-bonded Turntrans-76.1-13.6-173.247.50000115.6V219V219-T223 PolarHBondContact O-N 2.81Å
224N43.9Very low47.4Very low148 Ų148124.1 Ų124.179%0.79170%0.696SS**THydrogen-bonded Turntrans-103.310.5-178-72.75.3000113.8G222G222-N224 VanDerWaalsContact C-N 3.35Å; G222-N224 PolarHBondContact O-N 2.88Å
225A43.6Very low46.1Very low81 Ų81129 Ų12967%0.66972%0.718SS**SBendtrans-106.1-11.9-177.300000114.7S227A225-S227 PolarHBondContact O-N 2.85Å
226S42Very low45.6Very low113 Ų113125.2 Ų125.279%0.7972%0.721SS**  trans-101.272.4-171.5-61.80000113
227S40.2Very low44.9Very low98 Ų98128.5 Ų128.569%0.68574%0.735SS**  trans-139.468.7172.467.60000112.9A225A225-S227 PolarHBondContact O-N 2.85Å
228N44.1Very low44.3Very low158 Ų158128.7 Ų128.785%0.84574%0.742SS**SBendtrans177.6156.1149.5-90.7-29.2000110.3
229C40Very low44.1Very low123 Ų123126.9 Ų126.983%0.83174%0.743SS**  trans59.698.1175.7-57.50000114.6
230H43Very low44.1Very low171 Ų171125.4 Ų125.479%0.79275%0.745SS**  cis77.5125.438-153.6-70.1000114.2
231L40.5Very low44.6Very low166 Ų166124.8 Ų124.887%0.86974%0.739SS**  trans63.3142.5-166.9-53.5112000114
232G39Very low45.1Very low68 Ų68124.4 Ų124.470%0.70173%0.731SS**  cis-171.1153.3-7.600000109.2
233P39.3Very low46.2Very low125 Ų125128 Ų12881%0.81274%0.735SS**  trans-85.6136.9-163.432.7-35.1000114.4
234Y43.4Very low47Very low228 Ų228132.2 Ų132.289%0.89474%0.74SS**  trans-153146.2160.8-112.5-83.3000110.5
235D38.2Very low48Very low158 Ų158129.3 Ų129.385%0.84573%0.728SS**  trans-69.6138.8177.7-63.1-77.2000112.8
236S47.8Very low49.2Very low113 Ų113128.6 Ų128.679%0.7971%0.713SS**  trans-164.6146.2152.346.70000112.1
237D43.2Very low50.4Low156 Ų156131.9 Ų131.983%0.83472%0.722SS**  trans-47.2134.4-169.3-60.3-74.3000117.1S239D237-S239 PolarHBondContact O-N 3.45Å
238F40.2Very low51.8Low214 Ų214132.2 Ų132.294%0.93972%0.723SS**  trans-78.258.2176.3-148.4-88.4000112.1G240F238-G240 PolarHBondContact O-N 3.15Å
239S49.7Very low52.7Low91 Ų91127.3 Ų127.364%0.63671%0.709SS**  trans-70.493177.9-169.60000110.9D237 H241D237-S239 PolarHBondContact O-N 3.45Å; S239-H241 PolarHBondContact O-N 2.98Å
240G52.7Low54.2Low58 Ų58129.9 Ų129.960%0.59870%0.702SS**  trans-73.188.1-177.600000112.9F238 I242F238-G240 PolarHBondContact O-N 3.15Å; G240-I242 PolarHBondContact O-N 3.4Å; G240-I242 VanDerWaalsContact O-N 3.12Å
241H60.5Low55.3Low96 Ų96126.6 Ų126.644%0.44469%0.693SS.*  trans-56.1114.6171.5-78.3-94.4000111.2S239 F243 D253S239-H241 PolarHBondContact O-N 2.98Å; H241-F243 HydrophobicContact CB-CD2 4.46Å; H241-F243 HydrophobicContact CB-CE2 3.7Å; H241-F243 HydrophobicContact CB-CZ 3.79Å; H241-D253 IonicContact CE1-OD1 2.97Å; H241-D253 IonicContact CE1-OD2 3.51Å; H241-D253 IonicContact CG-OD1 3.57Å; H241-D253 IonicContact ND1-OD1 3.88Å; H241-D253 PolarHBondContact ND1-OD1 3.44Å; H241-D253 IonicContact ND1-OD2 3.1Å; H241-D253 PolarHBondContact ND1-OD2 3.17Å; H241-D253 VanDerWaalsContact ND1-OD2 3.1Å
242I62.7Low56.6Low109 Ų109121.5 Ų121.556%0.55967%0.669SS**  trans-90112.8174.5-58.9-179.6000107.9G240 L254G240-I242 PolarHBondContact O-N 3.4Å; G240-I242 VanDerWaalsContact O-N 3.12Å; I242-L254 HydrophobicContact CG2-CD2 4.27Å; I242-L254 WeakPolarHBondContact O-CB 3.25Å; I242-L254 WeakPolarHBondContact O-CD1 3.17Å; I242-L254 PolarHBondContact O-N 3.41Å
243F67.4Low58.3Low122 Ų122119.3 Ų119.354%0.53564%0.641SS.*EExtended strand (participates in β ladder)trans-93.7136.7172-58.8-81.8000110.4H241 V251 V252 D253H241-F243 HydrophobicContact CB-CD2 4.46Å; H241-F243 HydrophobicContact CB-CE2 3.7Å; H241-F243 HydrophobicContact CB-CZ 3.79Å; F243-V251 HydrophobicContact CB-CG1 3.9Å; F243-V251 HydrophobicContact CD1-CG1 3.79Å; F243-V251 HydrophobicContact CG-CG1 4.12Å; F243-V252 WeakPolarHBondContact CA-O 3.42Å; F243-D253 HydrophobicContact CD1-CB 4.06Å; F243-D253 HydrophobicContact CE1-CB 3.84Å
244W65.7Low59.5Low180 Ų180117 Ų11768%0.68262%0.622SS**EExtended strand (participates in β ladder)trans-111.6154.9165.5-115.160.6000110.5V251 V252 L254W244-V251 CarbonylContact O-C 3.6Å; W244-V251 WeakPolarHBondContact O-CA 3.34Å; W244-V252 PolarHBondContact N-O 2.99Å; W244-V252 PolarHBondContact O-N 3.18Å; W244-L254 HydrophobicContact CB-CD1 3.85Å; W244-L254 HydrophobicContact CG-CD1 4.36Å
245T64.2Low60.7Low88 Ų88109.6 Ų109.654%0.5461%0.608SS.*EExtended strand (participates in β ladder)trans-110.2127.9165.150.60000108.5R250 V251T245-R250 WeakPolarHBondContact CA-O 3.38Å; T245-V251 HydrophobicContact CG2-CG2 4.13Å
246D70.7Confident62.2Low65 Ų65112.1 Ų112.135%0.34861%0.606SS.*  trans-71.2171.216666.310.8000111.3C248 G249 R250D246-C248 PolarHBondContact O-N 3.45Å; D246-C248 VanDerWaalsContact OD1-CA 3.26Å; D246-C248 WeakPolarHBondContact OD1-CA 3.41Å; D246-C248 VanDerWaalsContact OD1-CB 3.29Å; D246-C248 WeakPolarHBondContact OD1-CB 3.27Å; D246-C248 PolarHBondContact OD1-N 3.28Å; D246-G249 PolarHBondContact O-N 3.28Å; D246-G249 PolarHBondContact OD1-N 3.06Å; D246-R250 PolarHBondContact N-O 3.27Å; D246-R250 WeakPolarHBondContact OD1-CB 3.27Å; D246-R250 PolarHBondContact OD1-N 3.33Å
247D66.4Low63.2Low182 Ų182111.7 Ų111.797%0.97359%0.594SS**THydrogen-bonded Turntrans-64.4-7.2174.5-66.6-56.4000113.1
248C69.3Low64.7Low105 Ų105109.4 Ų109.471%0.70959%0.587SS**THydrogen-bonded Turntrans-94.53.7172.1-62.50000113.1D246 R250D246-C248 PolarHBondContact O-N 3.45Å; D246-C248 VanDerWaalsContact OD1-CA 3.26Å; D246-C248 WeakPolarHBondContact OD1-CA 3.41Å; D246-C248 VanDerWaalsContact OD1-CB 3.29Å; D246-C248 WeakPolarHBondContact OD1-CB 3.27Å; D246-C248 PolarHBondContact OD1-N 3.28Å; C248-R250 VanDerWaalsContact C-N 3.33Å; C248-R250 HydrophobicContact CB-CG 4.42Å; C248-R250 PolarHBondContact O-N 3.04Å
249G63.8Low66.4Low55 Ų55104.6 Ų104.657%0.56758%0.578SS**  trans75.312.1178.700000115.3D246D246-G249 PolarHBondContact O-N 3.28Å; D246-G249 PolarHBondContact OD1-N 3.06Å
250R70.4Confident67.4Low177 Ų177105.8 Ų105.867%0.66858%0.584SS**  trans-82.1124.5179.7-59.2179.8174-168.3-0.8110.4T245 D246 C248T245-R250 WeakPolarHBondContact CA-O 3.38Å; D246-R250 PolarHBondContact N-O 3.27Å; D246-R250 WeakPolarHBondContact OD1-CB 3.27Å; D246-R250 PolarHBondContact OD1-N 3.33Å; C248-R250 VanDerWaalsContact C-N 3.33Å; C248-R250 HydrophobicContact CB-CG 4.42Å; C248-R250 PolarHBondContact O-N 3.04Å
251V66.9Low68.2Low102 Ų102108.1 Ų108.162%0.61859%0.588SS**EExtended strand (participates in β ladder)trans-79.8118.6175.7-175.40000109.6F243 W244 T245F243-V251 HydrophobicContact CB-CG1 3.9Å; F243-V251 HydrophobicContact CD1-CG1 3.79Å; F243-V251 HydrophobicContact CG-CG1 4.12Å; W244-V251 CarbonylContact O-C 3.6Å; W244-V251 WeakPolarHBondContact O-CA 3.34Å; T245-V251 HydrophobicContact CG2-CG2 4.13Å
252V68.2Low68.3Low59 Ų59106.3 Ų106.336%0.35859%0.586SS.*EExtended strand (participates in β ladder)trans-116.4127.6177.2-176.50000109.7F243 W244 L257F243-V252 WeakPolarHBondContact CA-O 3.42Å; W244-V252 PolarHBondContact N-O 2.99Å; W244-V252 PolarHBondContact O-N 3.18Å; V252-L257 HydrophobicContact CG1-CD2 4.22Å
253D73.1Confident68Low22 Ų22110.5 Ų110.512%0.11860%0.596CS.*EExtended strand (participates in β ladder)trans-78.5113171.5179.110.6000109.5H241 F243 A255 R256H241-D253 IonicContact CE1-OD1 2.97Å; H241-D253 IonicContact CE1-OD2 3.51Å; H241-D253 IonicContact CG-OD1 3.57Å; H241-D253 IonicContact ND1-OD1 3.88Å; H241-D253 PolarHBondContact ND1-OD1 3.44Å; H241-D253 IonicContact ND1-OD2 3.1Å; H241-D253 PolarHBondContact ND1-OD2 3.17Å; H241-D253 VanDerWaalsContact ND1-OD2 3.1Å; F243-D253 HydrophobicContact CD1-CB 4.06Å; F243-D253 HydrophobicContact CE1-CB 3.84Å; D253-A255 PolarHBondContact O-N 3.12Å; D253-A255 WeakPolarHBondContact OD1-CB 3.44Å; D253-A255 PolarHBondContact OD1-N 3.22Å; D253-A255 VanDerWaalsContact OD1-N 3.13Å; D253-R256 HydrophobicContact CB-CG 4.34Å; D253-R256 PolarHBondContact O-N 3.04Å; D253-R256 VanDerWaalsContact O-N 3.07Å; D253-R256 IonicContact OD2-NE 3.49Å
254L64.8Low67.5Low76 Ų76112.3 Ų112.340%0.39861%0.607SS.*G310 helixtrans-61-26.1-179.8-92.168.2000112.3I242 W244 R256 L257I242-L254 HydrophobicContact CG2-CD2 4.27Å; I242-L254 WeakPolarHBondContact O-CB 3.25Å; I242-L254 WeakPolarHBondContact O-CD1 3.17Å; I242-L254 PolarHBondContact O-N 3.41Å; W244-L254 HydrophobicContact CB-CD1 3.85Å; W244-L254 HydrophobicContact CG-CD1 4.36Å; L254-R256 PolarHBondContact O-N 3.38Å; L254-R256 VanDerWaalsContact O-N 3.16Å; L254-L257 HydrophobicContact CG-CD1 4.24Å; L254-L257 PolarHBondContact O-N 2.98Å
255A68.9Low67.2Low74 Ų74108.3 Ų108.361%0.61260%0.599SS**G310 helixtrans-69.8-6.8178.200000113.8D253D253-A255 PolarHBondContact O-N 3.12Å; D253-A255 WeakPolarHBondContact OD1-CB 3.44Å; D253-A255 PolarHBondContact OD1-N 3.22Å; D253-A255 VanDerWaalsContact OD1-N 3.13Å
256R70.8Confident66.7Low211 Ų211107.2 Ų107.280%0.79660%0.598SS**G310 helixtrans-108.81.4177.5-66.2-176.9179.5-142.7-4.6114.2D253 L254D253-R256 HydrophobicContact CB-CG 4.34Å; D253-R256 PolarHBondContact O-N 3.04Å; D253-R256 VanDerWaalsContact O-N 3.07Å; D253-R256 IonicContact OD2-NE 3.49Å; L254-R256 PolarHBondContact O-N 3.38Å; L254-R256 VanDerWaalsContact O-N 3.16Å
257L67.1Low65.6Low104 Ų104110 Ų11055%0.54561%0.613SS.*SBendtrans-75.1137.5172.5-66.6173.7000109.7V252 L254V252-L257 HydrophobicContact CG1-CD2 4.22Å; L254-L257 HydrophobicContact CG-CD1 4.24Å; L254-L257 PolarHBondContact O-N 2.98Å
258P76Confident65Low107 Ų107107 Ų10770%0.69560%0.601SS**PPolyproline II helixtrans-62.7149.917228.4-34.4000110
259P75Confident64.3Low113 Ų113108.1 Ų108.173%0.73460%0.604SS**PPolyproline II helixtrans-58.8146.317426.8-34.6000110.2
260P70.7Confident63.5Low117 Ų117113.3 Ų113.376%0.7662%0.618SS**PPolyproline II helixtrans-59.9144.9177.326.2-34.2000110.5
261P69.6Low62.1Low106 Ų106109 Ų10969%0.68862%0.619SS**PPolyproline II helixtrans-61158.6177.527.7-35.4000111.1D265P261-D265 HydrophobicContact CB-CB 4.19Å
262S63Low60.9Low58 Ų58115.3 Ų115.341%0.40663%0.632SS.*PPolyproline II helixtrans-69.5158.4-176.282.60000111.1Q264 D265S262-Q264 PolarHBondContact O-N 3.25Å; S262-Q264 PolarHBondContact OG-N 3.2Å; S262-D265 WeakPolarHBondContact CA-OD2 3.39Å; S262-D265 VanDerWaalsContact CB-OD2 3.28Å; S262-D265 WeakPolarHBondContact CB-OD2 3.43Å; S262-D265 PolarHBondContact N-OD2 3.38Å; S262-D265 PolarHBondContact O-N 3.31Å; S262-D265 PolarHBondContact OG-OD2 3.38Å
263Y55.2Low59.5Low197 Ų197118.2 Ų118.277%0.77365%0.652SS**THydrogen-bonded Turntrans-58.9-21.2176.6-172.6-97.7000113.1L267Y263-L267 HydrophobicContact CE1-CD1 4.35Å
264Q58.1Low58.3Low161 Ų161126.6 Ų126.675%0.75269%0.691SS**THydrogen-bonded Turntrans-76.5-31.5178.3-62.9-179.9-6.900112.2S262 A266S262-Q264 PolarHBondContact O-N 3.25Å; S262-Q264 PolarHBondContact OG-N 3.2Å; Q264-A266 VanDerWaalsContact C-N 3.35Å; Q264-A266 PolarHBondContact O-N 3.16Å
265D59Low57.2Low96 Ų96131 Ų13151%0.51372%0.715SS.*G310 helixtrans-71.3-30.7179.9-56.1-64.6000112.2P261 S262 L267P261-D265 HydrophobicContact CB-CB 4.19Å; S262-D265 WeakPolarHBondContact CA-OD2 3.39Å; S262-D265 VanDerWaalsContact CB-OD2 3.28Å; S262-D265 WeakPolarHBondContact CB-OD2 3.43Å; S262-D265 PolarHBondContact N-OD2 3.38Å; S262-D265 PolarHBondContact O-N 3.31Å; S262-D265 PolarHBondContact OG-OD2 3.38Å; D265-L267 PolarHBondContact O-N 3.43Å
266A53Low56Low65 Ų65130.7 Ų130.754%0.53772%0.718SS.*G310 helixtrans-68.7-18.4-178.300000114.2Q264Q264-A266 VanDerWaalsContact C-N 3.35Å; Q264-A266 PolarHBondContact O-N 3.16Å
267L49.3Very low54.6Low124 Ų124126.7 Ų126.765%0.64972%0.723SS**G310 helixtrans-85.5-13.7-169.2-124.5145.2000114Y263 D265Y263-L267 HydrophobicContact CE1-CD1 4.35Å; D265-L267 PolarHBondContact O-N 3.43Å
268V53.3Low53.3Low119 Ų119133.2 Ų133.272%0.72174%0.74SS**SBendtrans-84.3-19.3-173.2-178.10000113.2
269V53.1Low51.8Low127 Ų127132.5 Ų132.577%0.7774%0.736SS**THydrogen-bonded Turntrans-90.1-17.4-166.1-177.40000114.2
270L47.9Very low50.3Low165 Ų165132.8 Ų132.886%0.86474%0.736SS**THydrogen-bonded Turntrans-95.212.6-171.9-71171000115.3
271A41.5Very low48.9Very low85 Ų85133 Ų13370%0.70274%0.735SS**  trans-10471.4-17300000114.4
272R41.7Very low47.8Very low235 Ų235133.1 Ų133.189%0.88773%0.733SS**  trans-158.4127.3156-124.9177.5-176.8111.30.3113
273P39.3Very low46.9Very low120 Ų120138.9 Ų138.978%0.77975%0.754SS**  trans-84.6165.7176.435.2-35.6000112.5
274Q46.4Very low46.3Very low198 Ų198136.7 Ų136.793%0.92576%0.756SS**  trans-125.8134.3159.3-80-165-32.700110.4
275D43.3Very low45.5Very low170 Ų170131.9 Ų131.991%0.90975%0.749SS**  trans-73154.9169.8-69.9-74.6000112.2
276G42.4Very low44.7Very low66 Ų66135.6 Ų135.668%0.6876%0.763SS**  trans-169.3107.4174.100000115.6
277S42.3Very low44.1Very low128 Ų128138.2 Ų138.290%0.89578%0.775SS**  trans58104.3158.947.40000120.7
278R39.5Very low44.4Very low240 Ų240138.5 Ų138.591%0.90678%0.782SS**  trans-98.8-172.1149.9-136.4-168.4160.3-167.7-4.5107.1
279P43.9Very low44.1Very low92 Ų92138.3 Ų138.360%0.59778%0.783SS**  cis-143.4-162.9-4.442.8-21.2000116.9
280T44.6Very low43.5Very low120 Ų120139.6 Ų139.674%0.73679%0.785SS**  trans69.8146.3158.941.40000118.4
281T41.1Very low43.7Very low121 Ų121138.8 Ų138.874%0.74279%0.787SS**  cis-132.4148.35.719.50000109.3
282V46.5Very low44Very low108 Ų108140.4 Ų140.466%0.65579%0.789SS**  61.6127.670.1-178.90000111
283E44.7Very low44.4Very low179 Ų179134.9 Ų134.984%0.83678%0.783SS**  cis-151.8179.718.2-125.1142.8-142.400108.4
284D42.5Very low44.9Very low152 Ų152136.1 Ų136.181%0.81378%0.783SS**  cis-162.2167.3-4.1-173.230.4000111.3
285G40Very low44.9Very low59 Ų59131.3 Ų131.361%0.60878%0.777SS**  trans67.7153.5151.500000120.8
286Q43.1Very low44.9Very low175 Ų175127 Ų12782%0.81877%0.773SS**  cis-163138.1-5.8172.3111-71.600109.5
287P40.5Very low45Very low119 Ų119131 Ų13177%0.77378%0.779SS**  trans-109.4153.3170.838-30.3000114.5
288T54.5Low45.4Very low131 Ų131129.2 Ų129.280%0.80477%0.766SS**  trans-141.9142.6172.649.60000112.8
289P46.5Very low45.9Very low115 Ų115123.5 Ų123.575%0.74776%0.763SS**  trans-109.6169.1-167.741.6-36.9000117
290N41.9Very low46Very low153 Ų153124.9 Ų124.982%0.81877%0.772SS**  trans49.6113.1151-67.34.4000121.8
291V51.7Low46.1Very low149 Ų149123.8 Ų123.890%0.90378%0.775SS**  trans-140.8131.7141.1-179.80000109.2
292T46.8Very low46.2Very low119 Ų119128.7 Ų128.773%0.7378%0.78SS**  trans-95.3151.7172-8.20000110.4
293P51.2Low46.2Very low118 Ų118132.1 Ų132.177%0.76679%0.789SS**  -133.6162.778.721.40.3000113.1
294D49.3Very low46.1Very low147 Ų147126.6 Ų126.679%0.78678%0.78SS**  cis93.6132.529.1-151.51.1000114.4
295A47.3Very low46.4Very low96 Ų96127.6 Ų127.679%0.79378%0.779SS**  trans40.7118-175.700000118.7
296G42.9Very low46.7Very low80 Ų80130.7 Ų130.783%0.82579%0.787SS**  110.5156.574.800000109.9
297D45.3Very low46.9Very low151 Ų151125.8 Ų125.881%0.80778%0.776SS**  cis-158.8158.5-2.3-166.3-3.7000110.5
298S50.4Low47.2Very low89 Ų89129.2 Ų129.262%0.62278%0.782SS**  trans44.798152.7-700000123.2
299S48.4Very low46.9Very low120 Ų120129 Ų12984%0.83979%0.786SS**  60160.9114-66.70000124.1
300P47.9Very low47Very low122 Ų122132.1 Ų132.179%0.79279%0.79SS**  trans-127.2-175.5-163.243.5-27.8000117
301A44.7Very low47.5Very low97 Ų97134.2 Ų134.280%0.80279%0.792SS**  trans85.3116.915000000121.9
302R45Very low47.3Very low224 Ų224134.4 Ų134.485%0.84579%0.788SS**  trans-169.9122.9130.4-102-177.8155.9156.8-4.8108.5
303Q45.3Very low47.6Very low179 Ų179133.6 Ų133.684%0.83679%0.794SS**  65123.978-69.6-174.6-32.100115.7
304G43.1Very low47.4Very low63 Ų63135.2 Ų135.265%0.64980%0.796SS**  trans144.5111.4145.700000117.7
305H48.1Very low47.8Very low173 Ų173132.6 Ų132.680%0.80179%0.787SS**  trans62.2121145.2-64.2-70.8000119.5
306T46.1Very low48.2Very low124 Ų124134 Ų13476%0.76179%0.785SS**  63.2134.365.5710000113.5
307A47.7Very low48.5Very low73 Ų73134.4 Ų134.460%0.60378%0.781SS**  cis-154.4-174.914.900000113.6
308E47.7Very low49Very low190 Ų190134 Ų13489%0.88878%0.784SS**  trans56.3122.5148-71.9161.28100122.2
309S47.8Very low49.3Very low126 Ų126142.9 Ų142.988%0.88181%0.811SS**  -157.3129116.6-156.10000112.1
310E49.1Very low49.3Very low181 Ų181144.1 Ų144.185%0.84681%0.81SS**  trans-99131.8170.2-83.4-177.95400111.8
311K50.8Low49.4Very low198 Ų198145.2 Ų145.286%0.86181%0.811SS**  trans169.4132.3136.3-94.8160.9179.41770109.2
312N48Very low49.7Very low153 Ų153147.9 Ų147.982%0.81881%0.811SS**  cis76.88529.7-162.216000114.9
313A53.1Low49.9Very low102 Ų102143.4 Ų143.484%0.84381%0.809SS**  trans-165.4112.6155.500000111.8
314D48Very low50.2Low151 Ų151141.2 Ų141.281%0.80781%0.808SS**  trans-108.1-177.6157-158.828.8000105.5
315P56.2Low50.7Low93 Ų93146.4 Ų146.460%0.60482%0.818SS**  cis-132.2-163.9-12.517.79.7000114.7
316T57.1Low50.9Low124 Ų124144.5 Ų144.576%0.76182%0.82SS**  trans90.6103.614124.30000121.8
317A48.3Very low51.2Low89 Ų89146.1 Ų146.174%0.73682%0.824SS**  45.1131.1120.800000122.1
318V56Low51.5Low142 Ų142152.2 Ų152.286%0.86184%0.842SS**  -179.7111.9105.8152.90000110.1
319K56.5Low51.9Low277 Ų277148.7 Ų148.7100%1.20484%0.838SS**  trans-167.80130.4-132.3176.1-177.71760111.5

Retrieved 319 of 319 residues in 478.7 ms (Link to these results)