A0A087XPS3_POEFO Loading...

Zinc finger, FYVE domain containing 21

AlphaFold DB , UniProt , Accession A0A087XPS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M39.2Very low71.2Confident243 Ų243101.1 Ų101.1100%1.19758%0.578SS**  0115.50-75.5168.9163.900106.6S3M1-S3 PolarHBondContact O-N 3.34Å; M1-S3 VanDerWaalsContact O-N 3.14Å
2S46.7Very low72.9Confident117 Ų117110.8 Ų110.882%0.81860%0.598SS**  trans-69.1108.9179.3-1770000107.5V4S2-V4 PolarHBondContact O-N 2.79Å
3S56.1Low74.1Confident105 Ų105104.3 Ų104.373%0.73457%0.567SS**PPolyproline II helixtrans-65.4124.6174.842.80000108.1M1M1-S3 PolarHBondContact O-N 3.34Å; M1-S3 VanDerWaalsContact O-N 3.14Å
4V61.9Low74.7Confident49 Ų49104.6 Ų104.630%0.29758%0.576SS.*PPolyproline II helixtrans-64.8131.1171-173.20000106.9S2 K8 L10S2-V4 PolarHBondContact O-N 2.79Å; V4-K8 HydrophobicContact CG1-CB 3.93Å; V4-K8 WeakPolarHBondContact CG1-O 3.43Å; V4-L10 HydrophobicContact CG2-CD1 3.64Å; V4-L10 HydrophobicContact CG2-CG 3.71Å
5P67.9Low75.5Confident65 Ų6598 Ų9842%0.42254%0.541SS..PPolyproline II helixtrans-60.2145.1176.3-22.132.6000111.4G7 K8P5-G7 PolarHBondContact O-N 3.12Å; P5-K8 HydrophobicContact CB-CD 4.49Å; P5-K8 PolarHBondContact O-N 2.73Å; P5-K8 VanDerWaalsContact O-N 3.12Å
6D68.1Low76.4Confident170 Ų17093.6 Ų93.691%0.90953%0.525SS*.THydrogen-bonded Turntrans-50.2134.5178.3-70.6-20.5000111.9K8D6-K8 VanDerWaalsContact C-N 3.33Å
7G79.8Confident77.5Confident41 Ų4190.9 Ų90.942%0.42351%0.509SS..THydrogen-bonded Turntrans79.67.2-179.100000115.5P5 E22P5-G7 PolarHBondContact O-N 3.12Å; G7-E22 PolarHBondContact O-N 2.71Å
8K86.3Confident78.4Confident97 Ų9787.8 Ų87.842%0.42249%0.488SS..EExtended strand (participates in β ladder)trans-118.3153.4170.3-61.2-176.6-176177.60110.7V4 P5 D6 M19 V20V4-K8 HydrophobicContact CG1-CB 3.93Å; V4-K8 WeakPolarHBondContact CG1-O 3.43Å; P5-K8 HydrophobicContact CB-CD 4.49Å; P5-K8 PolarHBondContact O-N 2.73Å; P5-K8 VanDerWaalsContact O-N 3.12Å; D6-K8 VanDerWaalsContact C-N 3.33Å; K8-M19 HydrophobicContact CB-CG 4.12Å; K8-M19 HydrophobicContact CD-CG 4.09Å; K8-M19 HydrophobicContact CD-SD 3.92Å; K8-V20 CarbonylContact C-O 3.49Å; K8-V20 WeakPolarHBondContact CA-O 3.46Å
9K91.4Very high79.2Confident94 Ų9485.9 Ų85.941%0.40948%0.476SS..EExtended strand (participates in β ladder)trans-129.6152.1174.462.4-179.7178.6-167.30111.6V11 M19 V20 E22K9-V11 HydrophobicContact CD-CG2 4.27Å; K9-V11 HydrophobicContact CG-CG2 4.15Å; K9-M19 WeakPolarHBondContact O-CA 3.19Å; K9-V20 HydrophobicContact CD-CG2 4.37Å; K9-V20 HydrophobicContact CG-CG2 3.72Å; K9-V20 PolarHBondContact N-O 3.45Å; K9-V20 PolarHBondContact O-N 3.14Å; K9-E22 HydrophobicContact CB-CG 3.95Å; K9-E22 HydrophobicContact CD-CG 4.33Å; K9-E22 HydrophobicContact CG-CG 4.15Å
10L93.7Very high79.8Confident79 Ų7982.9 Ų82.941%0.41446%0.459SS..EExtended strand (participates in β ladder)trans-88.9127.9170.3-70.1173.4000110V4 L17 R18 M19 V86V4-L10 HydrophobicContact CG2-CD1 3.64Å; V4-L10 HydrophobicContact CG2-CG 3.71Å; L10-L17 HydrophobicContact CB-CD1 4.19Å; L10-L17 HydrophobicContact CD1-CD2 4.5Å; L10-L17 HydrophobicContact CD2-CD1 4.46Å; L10-L17 HydrophobicContact CD2-CD2 4.19Å; L10-L17 HydrophobicContact CD2-CG 4.17Å; L10-R18 CarbonylContact C-O 3.45Å; L10-R18 WeakPolarHBondContact CA-O 3.43Å; L10-M19 HydrophobicContact CD2-CB 4.06Å; L10-M19 HydrophobicContact CD2-CE 4.07Å; L10-M19 HydrophobicContact CD2-CG 4.37Å; L10-V86 HydrophobicContact CD2-CG2 4.04Å
11V92.3Very high80.2Confident52 Ų5280 Ų8032%0.31545%0.445SS..EExtended strand (participates in β ladder)trans-121128.4176.8177.90000108.5K9 R18 V20K9-V11 HydrophobicContact CD-CG2 4.27Å; K9-V11 HydrophobicContact CG-CG2 4.15Å; V11-R18 PolarHBondContact N-O 2.87Å; V11-R18 PolarHBondContact O-N 2.87Å; V11-V20 HydrophobicContact CB-CG2 4.41Å; V11-V20 HydrophobicContact CG2-CG2 3.57Å
12R92Very high82.4Confident217 Ų21774.1 Ų74.182%0.81941%0.414SS*.EExtended strand (participates in β ladder)trans-88.8124.1170.8-71.2-179.6178.4-980.7108.8L17R12-L17 HydrophobicContact CG-CD1 3.68Å
13S88.1Confident84.2Confident27 Ų2772.7 Ų72.719%0.18940%0.397CS..EExtended strand (participates in β ladder)trans-117167.7170.283.60000110.6S15 G16 E34S13-S15 PolarHBondContact O-N 3.08Å; S13-S15 VanDerWaalsContact O-N 3.11Å; S13-S15 PolarHBondContact OG-N 3.34Å; S13-G16 PolarHBondContact N-O 2.74Å; S13-G16 PolarHBondContact O-N 2.83Å; S13-G16 VanDerWaalsContact O-N 3.09Å; S13-G16 PolarHBondContact OG-O 3.26Å; S13-E34 WeakPolarHBondContact CB-OE2 2.95Å; S13-E34 PolarHBondContact OG-OE1 2.85Å; S13-E34 PolarHBondContact OG-OE2 2.81Å
14P82.3Confident85.1Confident108 Ų10869.8 Ų69.870%0.70138%0.384SS*.THydrogen-bonded Turntrans-55-25.9172.3-25.736000113.3W37P14-W37 WeakPolarHBondContact O-CH2 3.29Å
15S87.1Confident85.7Confident6 Ų669.9 Ų69.94%0.04239%0.39CS..THydrogen-bonded Turntrans-82.4-22.6178.8-69.60000114.8S13 E34 W37S13-S15 PolarHBondContact O-N 3.08Å; S13-S15 VanDerWaalsContact O-N 3.11Å; S13-S15 PolarHBondContact OG-N 3.34Å; S15-E34 WeakPolarHBondContact CB-OE1 3.26Å; S15-E34 PolarHBondContact OG-OE1 2.86Å; S15-W37 VanDerWaalsContact OG-CZ2 3.25Å; S15-W37 WeakPolarHBondContact OG-CZ2 3.21Å; S15-W37 PolarHBondContact OG-NE1 2.84Å; S15-W37 VanDerWaalsContact OG-NE1 3.1Å
16G90.5Very high86.4Confident28 Ų2872.1 Ų72.129%0.28939%0.394SS..EExtended strand (participates in β ladder)trans149-168.4-178.800000113.9S13S13-G16 PolarHBondContact N-O 2.74Å; S13-G16 PolarHBondContact O-N 2.83Å; S13-G16 VanDerWaalsContact O-N 3.09Å; S13-G16 PolarHBondContact OG-O 3.26Å
17L94.6Very high87.2Confident48 Ų4867.9 Ų67.925%0.25137%0.371SS..EExtended strand (participates in β ladder)trans-85.9128.7175.4-171.568.2000110L10 R12 V86L10-L17 HydrophobicContact CB-CD1 4.19Å; L10-L17 HydrophobicContact CD1-CD2 4.5Å; L10-L17 HydrophobicContact CD2-CD1 4.46Å; L10-L17 HydrophobicContact CD2-CD2 4.19Å; L10-L17 HydrophobicContact CD2-CG 4.17Å; R12-L17 HydrophobicContact CG-CD1 3.68Å; L17-V86 HydrophobicContact CD2-CG2 4.44Å; L17-V86 HydrophobicContact CG-CG2 4.29Å; L17-V86 PolarHBondContact O-N 3.33Å
18R94.3Very high87.8Confident34 Ų3466.9 Ų66.913%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-120.2144.9-179.7-63.4171.367.4-165-5.3110.6L10 V11 V20 E34 M83 C84 F85L10-R18 CarbonylContact C-O 3.45Å; L10-R18 WeakPolarHBondContact CA-O 3.43Å; V11-R18 PolarHBondContact N-O 2.87Å; V11-R18 PolarHBondContact O-N 2.87Å; R18-V20 HydrophobicContact CB-CG1 4.32Å; R18-E34 IonicContact NH1-OE2 3.21Å; R18-E34 PolarHBondContact NH1-OE2 2.92Å; R18-E34 VanDerWaalsContact NH1-OE2 3.15Å; R18-M83 PolarHBondContact NE-O 2.79Å; R18-M83 PolarHBondContact NH2-O 2.92Å; R18-C84 CarbonylContact C-O 3.57Å; R18-C84 WeakPolarHBondContact CA-O 3.47Å; R18-F85 HydrophobicContact CG-CD1 3.5Å; R18-F85 HydrophobicContact CG-CE1 3.47Å; R18-F85 VanDerWaalsContact CG-CE1 3.47Å; R18-F85 HydrophobicContact CG-CG 4.11Å; R18-F85 HydrophobicContact CG-CZ 4.07Å
19M92.6Very high88.1Confident52 Ų5263.9 Ų63.926%0.25635%0.348SS..EExtended strand (participates in β ladder)trans-110.3102.1173.3-174.2-178.1-62.400109.4K8 K9 L10 C84 V86K8-M19 HydrophobicContact CB-CG 4.12Å; K8-M19 HydrophobicContact CD-CG 4.09Å; K8-M19 HydrophobicContact CD-SD 3.92Å; K9-M19 WeakPolarHBondContact O-CA 3.19Å; L10-M19 HydrophobicContact CD2-CB 4.06Å; L10-M19 HydrophobicContact CD2-CE 4.07Å; L10-M19 HydrophobicContact CD2-CG 4.37Å; M19-C84 PolarHBondContact N-O 2.82Å; M19-C84 VanDerWaalsContact O-CB 3.31Å; M19-C84 WeakPolarHBondContact O-CB 3.4Å; M19-V86 HydrophobicContact CB-CG2 3.92Å
20V91.1Very high88.2Confident25 Ų2559.4 Ų59.415%0.15233%0.328CS..EExtended strand (participates in β ladder)trans-112.6152.7-175.1-60.20000110.5K8 K9 V11 R18 C84K8-V20 CarbonylContact C-O 3.49Å; K8-V20 WeakPolarHBondContact CA-O 3.46Å; K9-V20 HydrophobicContact CD-CG2 4.37Å; K9-V20 HydrophobicContact CG-CG2 3.72Å; K9-V20 PolarHBondContact N-O 3.45Å; K9-V20 PolarHBondContact O-N 3.14Å; V11-V20 HydrophobicContact CB-CG2 4.41Å; V11-V20 HydrophobicContact CG2-CG2 3.57Å; R18-V20 HydrophobicContact CB-CG1 4.32Å; V20-C84 HydrophobicContact CG1-CB 4.11Å
21P88.3Confident88.1Confident23 Ų2357.3 Ų57.315%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-56.6145.6168.6-25.236.8000111.7F26 N27P21-F26 HydrophobicContact CB-CB 4.09Å; P21-N27 VanDerWaalsContact CD-OD1 3.28Å; P21-N27 WeakPolarHBondContact CD-OD1 3.35Å; P21-N27 VanDerWaalsContact CG-OD1 3.25Å; P21-N27 WeakPolarHBondContact CG-OD1 3.49Å
22E86.4Confident88.2Confident119 Ų11955.6 Ų55.656%0.55631%0.309SS*.SBendtrans-67.3-41.4176.4-74.1-174.915500111.8G7 K9G7-E22 PolarHBondContact O-N 2.71Å; K9-E22 HydrophobicContact CB-CG 3.95Å; K9-E22 HydrophobicContact CD-CG 4.33Å; K9-E22 HydrophobicContact CG-CG 4.15Å
23N83.6Confident88.1Confident87 Ų8751 Ų5147%0.46530%0.301SS..SBendtrans-107123174.6174.2-2.8000109.4A25 F26N23-A25 PolarHBondContact O-N 2.81Å; N23-A25 VanDerWaalsContact O-N 3.1Å; N23-A25 VanDerWaalsContact OD1-CB 3.29Å; N23-A25 WeakPolarHBondContact OD1-CB 3.4Å; N23-A25 PolarHBondContact OD1-N 3.26Å; N23-F26 HydrophobicContact CB-CD2 3.74Å; N23-F26 HydrophobicContact CB-CE2 3.89Å; N23-F26 PolarHBondContact O-N 3.19Å
24G74.4Confident88.4Confident45 Ų4552 Ų5246%0.46430%0.303SS..G310 helixtrans-60-20.4-178.200000114.1F26 N27G24-F26 PolarHBondContact O-N 2.86Å; G24-F26 VanDerWaalsContact O-N 3.11Å; G24-N27 VanDerWaalsContact O-CB 3.3Å; G24-N27 WeakPolarHBondContact O-CB 3.27Å; G24-N27 VanDerWaalsContact O-CG 3.28Å; G24-N27 PolarHBondContact O-N 3.22Å; G24-N27 PolarHBondContact O-ND2 3.4Å
25A76.2Confident88.9Confident51 Ų5147.9 Ų47.942%0.42128%0.276SS..G310 helixtrans-60.4-17.7170.900000113.1N23 R141N23-A25 PolarHBondContact O-N 2.81Å; N23-A25 VanDerWaalsContact O-N 3.1Å; N23-A25 VanDerWaalsContact OD1-CB 3.29Å; N23-A25 WeakPolarHBondContact OD1-CB 3.4Å; N23-A25 PolarHBondContact OD1-N 3.26Å; A25-R141 VanDerWaalsContact O-CD 3.23Å; A25-R141 WeakPolarHBondContact O-CD 2.96Å; A25-R141 VanDerWaalsContact O-CZ 3.23Å; A25-R141 PolarHBondContact O-NE 3.16Å; A25-R141 PolarHBondContact O-NH1 3.17Å
26F80.9Confident89.3Confident112 Ų11255.7 Ų55.749%0.49131%0.312SS..G310 helixtrans-100.810.9176.8-57.2-77.4000113.5P21 N23 G24 S28P21-F26 HydrophobicContact CB-CB 4.09Å; N23-F26 HydrophobicContact CB-CD2 3.74Å; N23-F26 HydrophobicContact CB-CE2 3.89Å; N23-F26 PolarHBondContact O-N 3.19Å; G24-F26 PolarHBondContact O-N 2.86Å; G24-F26 VanDerWaalsContact O-N 3.11Å; F26-S28 PolarHBondContact O-N 2.98Å
27N86.6Confident89.5Confident80 Ų8057.7 Ų57.743%0.42831%0.311SS..  trans-62.6131.2174-72.8-20.2000110.3P21 G24P21-N27 VanDerWaalsContact CD-OD1 3.28Å; P21-N27 WeakPolarHBondContact CD-OD1 3.35Å; P21-N27 VanDerWaalsContact CG-OD1 3.25Å; P21-N27 WeakPolarHBondContact CG-OD1 3.49Å; G24-N27 VanDerWaalsContact O-CB 3.3Å; G24-N27 WeakPolarHBondContact O-CB 3.27Å; G24-N27 VanDerWaalsContact O-CG 3.28Å; G24-N27 PolarHBondContact O-N 3.22Å; G24-N27 PolarHBondContact O-ND2 3.4Å
28S91.4Very high89.6Confident20 Ų2057.1 Ų57.114%0.1431%0.309CS..  trans-64.7133.9171.91600000108.5F26 F30 S31 H140F26-S28 PolarHBondContact O-N 2.98Å; S28-F30 PolarHBondContact O-N 3.16Å; S28-F30 VanDerWaalsContact O-N 3.11Å; S28-F30 WeakPolarHBondContact OG-CD2 3.41Å; S28-F30 PolarHBondContact OG-N 2.99Å; S28-S31 VanDerWaalsContact O-CB 3.27Å; S28-S31 WeakPolarHBondContact O-CB 3.39Å; S28-S31 PolarHBondContact O-N 2.76Å; S28-S31 PolarHBondContact O-OG 2.81Å; S28-H140 PolarHBondContact OG-ND1 3.44Å
29P92.4Very high89.7Confident34 Ų3458.2 Ų58.222%0.22132%0.321CS..THydrogen-bonded Turntrans-69.7-8.1-179.731.4-37.5000113.3H140 L155 L220P29-H140 WeakPolarHBondContact CD-O 3.43Å; P29-H140 WeakPolarHBondContact CG-O 3.31Å; P29-L155 HydrophobicContact CG-CB 4.21Å; P29-L155 HydrophobicContact CG-CD1 4.16Å; P29-L220 HydrophobicContact CB-CD2 3.56Å; P29-L220 HydrophobicContact CG-CD2 3.73Å
30F93.3Very high89.7Confident0 Ų059.8 Ų59.80%033%0.33CS..THydrogen-bonded Turntrans-83.1-12.3171-49.2-55.4000113.9S28 R82 F105 Y106 L110 L136 H140 L155 A216 L219 L220S28-F30 PolarHBondContact O-N 3.16Å; S28-F30 VanDerWaalsContact O-N 3.11Å; S28-F30 WeakPolarHBondContact OG-CD2 3.41Å; S28-F30 PolarHBondContact OG-N 2.99Å; F30-R82 PolarHBondContact O-NE 3.5Å; F30-R82 VanDerWaalsContact O-NE 3.08Å; F30-F105 HydrophobicContact CD2-CE1 4.24Å; F30-F105 HydrophobicContact CD2-CZ 4.42Å; F30-F105 HydrophobicContact CE1-CZ 4.36Å; F30-F105 HydrophobicContact CE2-CE1 4.29Å; F30-F105 HydrophobicContact CE2-CZ 4.05Å; F30-F105 HydrophobicContact CZ-CZ 4.05Å; F30-Y106 WeakPolarHBondContact CB-OH 3.37Å; F30-L110 HydrophobicContact CE2-CD1 4.29Å; F30-L136 HydrophobicContact CE2-CD1 4.27Å; F30-L136 HydrophobicContact CZ-CD1 4.02Å; F30-H140 HydrophobicContact CD2-CB 3.96Å; F30-H140 HydrophobicContact CE2-CB 3.49Å; F30-H140 VanDerWaalsContact CE2-CB 3.49Å; F30-H140 AromaticContact CE2-CG 3.9Å; F30-H140 HydrophobicContact CZ-CB 4.39Å; F30-L155 HydrophobicContact CZ-CD1 4.08Å; F30-A216 HydrophobicContact CE1-CB 3.82Å; F30-A216 HydrophobicContact CZ-CB 3.94Å; F30-L219 HydrophobicContact CD1-CB 4.14Å; F30-L220 HydrophobicContact CD1-CD2 3.66Å; F30-L220 HydrophobicContact CD1-CG 3.89Å; F30-L220 HydrophobicContact CE1-CD1 4.15Å; F30-L220 HydrophobicContact CE1-CD2 3.62Å; F30-L220 HydrophobicContact CE1-CG 3.61Å
31S92.3Very high89.9Confident36 Ų3668.3 Ų68.325%0.25237%0.365SS..  trans-71.9148.7-176.8-69.40000111.2S28 R82S28-S31 VanDerWaalsContact O-CB 3.27Å; S28-S31 WeakPolarHBondContact O-CB 3.39Å; S28-S31 PolarHBondContact O-N 2.76Å; S28-S31 PolarHBondContact O-OG 2.81Å; S31-R82 CarbonylContact C-O 3.56Å; S31-R82 WeakPolarHBondContact CA-O 3.36Å; S31-R82 WeakPolarHBondContact CB-O 3.5Å
32L93Very high90.2Very high15 Ų1573.5 Ų73.58%0.07939%0.388CS..  trans-119151.6177.6-64.8179.8000109.4R82 M83 A223 Q226L32-R82 HydrophobicContact CB-CB 4.42Å; L32-R82 HydrophobicContact CD1-CB 4.13Å; L32-R82 HydrophobicContact CG-CB 4.12Å; L32-R82 PolarHBondContact N-O 2.97Å; L32-M83 HydrophobicContact CB-CE 4.08Å; L32-M83 HydrophobicContact CB-CG 3.94Å; L32-M83 HydrophobicContact CD1-CE 4.23Å; L32-A223 HydrophobicContact CD2-CB 3.8Å; L32-Q226 VanDerWaalsContact CB-OE1 3.25Å
33D91.4Very high90.6Very high122 Ų12267.9 Ų67.965%0.65236%0.361SS*.PPolyproline II helixtrans-78.6153.9171.6-76.4-38000111.6M83 Q226D33-M83 WeakPolarHBondContact O-CE 3.37Å; D33-Q226 VanDerWaalsContact N-OE1 3.12Å; D33-Q226 PolarHBondContact O-NE2 3.38Å
34E92.8Very high91.3Very high46 Ų4667.8 Ų67.822%0.21537%0.366CS..PPolyproline II helixtrans-68.1132.9176.8-177.2176.2163.800109.5S13 S15 R18S13-E34 WeakPolarHBondContact CB-OE2 2.95Å; S13-E34 PolarHBondContact OG-OE1 2.85Å; S13-E34 PolarHBondContact OG-OE2 2.81Å; S15-E34 WeakPolarHBondContact CB-OE1 3.26Å; S15-E34 PolarHBondContact OG-OE1 2.86Å; R18-E34 IonicContact NH1-OE2 3.21Å; R18-E34 PolarHBondContact NH1-OE2 2.92Å; R18-E34 VanDerWaalsContact NH1-OE2 3.15Å
35P93.9Very high92.4Very high22 Ų2271 Ų7114%0.14336%0.363CS..PPolyproline II helixtrans-68.5146.9179.432.1-39.7000110.6W37 R63 R64P35-W37 PolarHBondContact O-N 2.79Å; P35-R63 WeakPolarHBondContact CD-O 3.45Å; P35-R64 WeakPolarHBondContact CG-O 3.3Å
36Q94.3Very high93.5Very high171 Ų17168.6 Ų68.680%0.79934%0.344SS*.PPolyproline II helixtrans-64.1129165.4-172.2175.40.100109.5
37W95.6Very high94.3Very high69 Ų6966.9 Ų66.926%0.26134%0.338SS..PPolyproline II helixtrans-73.8134.2173.3-75.318.1000109.9P14 S15 P35 P39 H61 R63 G66P14-W37 WeakPolarHBondContact O-CH2 3.29Å; S15-W37 VanDerWaalsContact OG-CZ2 3.25Å; S15-W37 WeakPolarHBondContact OG-CZ2 3.21Å; S15-W37 PolarHBondContact OG-NE1 2.84Å; S15-W37 VanDerWaalsContact OG-NE1 3.1Å; P35-W37 PolarHBondContact O-N 2.79Å; W37-P39 WeakPolarHBondContact O-CD 3.46Å; W37-H61 HydrophobicContact CD2-CB 3.51Å; W37-H61 AromaticContact CD2-CD2 3.93Å; W37-H61 AromaticContact CD2-CG 3.62Å; W37-H61 HydrophobicContact CE3-CB 3.73Å; W37-H61 AromaticContact CE3-CD2 3.96Å; W37-H61 AromaticContact CE3-CG 3.5Å; W37-H61 VanDerWaalsContact CE3-CG 3.5Å; W37-H61 AromaticContact CE3-ND1 3.66Å; W37-H61 HydrophobicContact CG-CB 3.98Å; W37-H61 AromaticContact CG-CD2 3.83Å; W37-H61 AromaticContact CG-CG 3.99Å; W37-H61 HydrophobicContact CH2-CB 4.26Å; W37-H61 HydrophobicContact CZ2-CB 4.04Å; W37-H61 HydrophobicContact CZ3-CB 4.11Å; W37-R63 HydrophobicContact CZ2-CG 4.38Å; W37-G66 WeakPolarHBondContact CA-O 3.4Å
38V96.3Very high94.8Very high36 Ų3669 Ų6922%0.21835%0.346CS..PPolyproline II helixtrans-62.7125.9171.5-171.70000108D40 E42 C43 M47 H61 G66V38-D40 PolarHBondContact O-N 2.81Å; V38-E42 HydrophobicContact CG1-CB 4.05Å; V38-C43 WeakPolarHBondContact CG1-SG 3.21Å; V38-M47 HydrophobicContact CB-CE 3.96Å; V38-M47 HydrophobicContact CG1-CE 3.71Å; V38-M47 HydrophobicContact CG2-CE 3.87Å; V38-M47 HydrophobicContact CG2-SD 4.37Å; V38-H61 PolarHBondContact O-NE2 2.93Å; V38-G66 PolarHBondContact N-O 2.93Å
39P96.2Very high95.2Very high57 Ų5770.9 Ų70.937%0.3736%0.358SS..PPolyproline II helixtrans-56.1140.8-179.4-27.736.5000112W37 K41 E42 C43W37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-K41 PolarHBondContact O-N 2.65Å; P39-K41 VanDerWaalsContact O-N 3.1Å; P39-E42 HydrophobicContact CB-CG 4.47Å; P39-E42 WeakPolarHBondContact CG-OE1 3.43Å; P39-E42 PolarHBondContact O-N 3.2Å; P39-C43 PolarHBondContact O-N 2.77Å; P39-C43 PolarHBondContact O-SG 3.38Å; P39-C43 VanDerWaalsContact O-SG 3.37Å
40D94.1Very high95.4Very high86 Ų8674 Ų7446%0.4637%0.373SS..G310 helixtrans-55-36.2-178.3-86.2-22.2000112.6V38 E42 C43 K59 H61V38-D40 PolarHBondContact O-N 2.81Å; D40-E42 PolarHBondContact O-N 2.82Å; D40-C43 PolarHBondContact O-N 2.79Å; D40-C43 VanDerWaalsContact O-N 3.07Å; D40-K59 HydrophobicContact CB-CD 4.1Å; D40-K59 PolarHBondContact O-NZ 3.34Å; D40-K59 WeakPolarHBondContact OD1-CD 3.39Å; D40-H61 IonicContact OD1-CE1 2.8Å; D40-H61 PolarHBondContact OD1-CE1 3.1Å; D40-H61 IonicContact OD1-NE2 2.66Å
41K94.5Very high95.6Very high204 Ų20476.6 Ų76.689%0.88739%0.389SS*.G310 helixtrans-61.9-30.1179.5-64.7-176.7-178.8178.60112.7P39 C43P39-K41 PolarHBondContact O-N 2.65Å; P39-K41 VanDerWaalsContact O-N 3.1Å; K41-C43 VanDerWaalsContact C-N 3.3Å
42E95.1Very high95.9Very high132 Ų13281.1 Ų81.162%0.61740%0.404SS*.G310 helixtrans-87.6-0.8179.5-66.3169.1-14300112.5V38 P39 D40 P44V38-E42 HydrophobicContact CG1-CB 4.05Å; P39-E42 HydrophobicContact CB-CG 4.47Å; P39-E42 WeakPolarHBondContact CG-OE1 3.43Å; P39-E42 PolarHBondContact O-N 3.2Å; D40-E42 PolarHBondContact O-N 2.82Å; E42-P44 VanDerWaalsContact C-CD 3.41Å; E42-P44 WeakPolarHBondContact O-CD 3.18Å
43C95.1Very high96.2Very high1 Ų181.3 Ų81.31%0.00740%0.404CS..  trans-116.373.4-177.9-59.10000111.3V38 P39 D40 K41 R45 M47 F53 K59 C68V38-C43 WeakPolarHBondContact CG1-SG 3.21Å; P39-C43 PolarHBondContact O-N 2.77Å; P39-C43 PolarHBondContact O-SG 3.38Å; P39-C43 VanDerWaalsContact O-SG 3.37Å; D40-C43 PolarHBondContact O-N 2.79Å; D40-C43 VanDerWaalsContact O-N 3.07Å; K41-C43 VanDerWaalsContact C-N 3.3Å; C43-R45 VanDerWaalsContact C-N 3.28Å; C43-M47 WeakPolarHBondContact SG-CE 3.44Å; C43-F53 HydrophobicContact CB-CE2 4.49Å; C43-F53 VanDerWaalsContact O-CD2 3.23Å; C43-F53 WeakPolarHBondContact O-CD2 3.07Å; C43-K59 HydrophobicContact CB-CD 4.41Å; C43-K59 WeakPolarHBondContact O-CE 3.24Å; C43-K59 PolarHBondContact O-NZ 2.9Å; C43-K59 VanDerWaalsContact O-NZ 3.08Å; C43-C68 HydrophobicContact CB-CB 3.63Å; C43-C68 WeakPolarHBondContact SG-CB 3.26Å
44P97.3Very high96.4Very high85 Ų8579.2 Ų79.255%0.55239%0.393SS*.SBendtrans-75.1-19.7177.130.6-35.2000113E42 F53E42-P44 VanDerWaalsContact C-CD 3.41Å; E42-P44 WeakPolarHBondContact O-CD 3.18Å; P44-F53 PolarHBondContact O-N 3.45Å
45R98.4Very high96.4Very high111 Ų11187 Ų8742%0.41943%0.426SS..BIsolated β-bridgetrans-138.6154.5-174.4-63.4179.3173-96.34110.9C43 M47 D50 T51 K52 F53C43-R45 VanDerWaalsContact C-N 3.28Å; R45-M47 PolarHBondContact O-N 3.07Å; R45-D50 WeakPolarHBondContact CD-O 3.47Å; R45-D50 WeakPolarHBondContact CD-OD1 3.35Å; R45-D50 PolarHBondContact NH1-O 3.12Å; R45-D50 IonicContact NH1-OD2 3.45Å; R45-T51 WeakPolarHBondContact CA-O 3.33Å; R45-K52 HydrophobicContact CG-CB 4.45Å; R45-F53 WeakPolarHBondContact O-CE2 3.36Å
46C98.4Very high96.5Very high2 Ų293.6 Ų93.61%0.01446%0.459CS..  trans-60.9126.5174.41790000110.6Q48 D50 T51 F53 C70C46-Q48 PolarHBondContact O-N 3.44Å; C46-D50 VanDerWaalsContact O-CA 3.28Å; C46-D50 WeakPolarHBondContact O-CA 3.46Å; C46-D50 PolarHBondContact O-N 3.07Å; C46-T51 PolarHBondContact N-O 3.03Å; C46-F53 HydrophobicContact CB-CE1 4.44Å; C46-F53 HydrophobicContact CB-CZ 4.06Å; C46-C70 HydrophobicContact CB-CB 4.31Å; C46-C70 PolarHBondContact SG-N 3.39Å
47M98.1Very high96.5Very high76 Ų7689.8 Ų89.837%0.37444%0.437SS..THydrogen-bonded Turntrans-72.25.7-178.7-65.9179.2171.500114.8V38 C43 R45 R67 C68 F69V38-M47 HydrophobicContact CB-CE 3.96Å; V38-M47 HydrophobicContact CG1-CE 3.71Å; V38-M47 HydrophobicContact CG2-CE 3.87Å; V38-M47 HydrophobicContact CG2-SD 4.37Å; C43-M47 WeakPolarHBondContact SG-CE 3.44Å; R45-M47 PolarHBondContact O-N 3.07Å; M47-R67 HydrophobicContact SD-CB 3.59Å; M47-R67 VanDerWaalsContact SD-CB 3.59Å; M47-R67 HydrophobicContact SD-CG 3.89Å; M47-C68 WeakPolarHBondContact CB-O 3.32Å; M47-C68 HydrophobicContact CE-CB 4.49Å; M47-C68 WeakPolarHBondContact CG-O 3.49Å; M47-C68 PolarHBondContact N-O 3.2Å; M47-C68 HydrophobicContact SD-CB 4.42Å; M47-C68 PolarHBondContact SD-N 3.42Å; M47-C68 VanDerWaalsContact SD-N 3.38Å; M47-F69 HydrophobicContact CB-CE1 4.2Å
48Q97.8Very high96.6Very high124 Ų12495.4 Ų95.458%0.57946%0.458SS*.THydrogen-bonded Turntrans-115.8-49.2174.3-175.767.314.900112.7C46 F69 C73C46-Q48 PolarHBondContact O-N 3.44Å; Q48-F69 HydrophobicContact CB-CD1 3.82Å; Q48-F69 HydrophobicContact CB-CE1 3.91Å; Q48-C73 HydrophobicContact CB-CB 4.01Å; Q48-C73 HydrophobicContact CG-CB 4.37Å
49C98.1Very high96.7Very high60 Ų6096.9 Ų96.941%0.40546%0.462SS..THydrogen-bonded Turntrans-112.14.1-172.8670000114.1T51 C73C49-T51 PolarHBondContact O-N 2.75Å; C49-T51 PolarHBondContact SG-OG1 2.96Å; C49-T51 VanDerWaalsContact SG-OG1 3.37Å; C49-C73 VanDerWaalsContact SG-SG 3.61Å
50D98.1Very high96.7Very high99 Ų9996.2 Ų96.253%0.52945%0.454SS..  trans58.55.6179.3-160.152.3000116.4R45 C46 K52R45-D50 WeakPolarHBondContact CD-O 3.47Å; R45-D50 WeakPolarHBondContact CD-OD1 3.35Å; R45-D50 PolarHBondContact NH1-O 3.12Å; R45-D50 IonicContact NH1-OD2 3.45Å; C46-D50 VanDerWaalsContact O-CA 3.28Å; C46-D50 WeakPolarHBondContact O-CA 3.46Å; C46-D50 PolarHBondContact O-N 3.07Å; D50-K52 PolarHBondContact O-N 3.38Å
51T97.9Very high96.9Very high54 Ų5492.8 Ų92.833%0.33144%0.435SS..PPolyproline II helixtrans-61126.5175.4-560000110.6R45 C46 C49 R57R45-T51 WeakPolarHBondContact CA-O 3.33Å; C46-T51 PolarHBondContact N-O 3.03Å; C49-T51 PolarHBondContact O-N 2.75Å; C49-T51 PolarHBondContact SG-OG1 2.96Å; C49-T51 VanDerWaalsContact SG-OG1 3.37Å; T51-R57 VanDerWaalsContact CG2-CD 3.49Å
52K98.2Very high97Very high132 Ų13283 Ų8357%0.57439%0.392SS*.BIsolated β-bridgetrans-60137.5177.6-170.2179.9176.9-178.90111.4R45 D50 R57R45-K52 HydrophobicContact CG-CB 4.45Å; D50-K52 PolarHBondContact O-N 3.38Å; K52-R57 WeakPolarHBondContact O-CD 3.5Å; K52-R57 PolarHBondContact O-NH1 3.16Å
53F98.3Very high97.2Very high19 Ų1979.1 Ų79.18%0.08337%0.372CS..PPolyproline II helixtrans-79.9146.5170.5-62.5-65.4000111C43 P44 R45 C46 R57 K59 C70C43-F53 HydrophobicContact CB-CE2 4.49Å; C43-F53 VanDerWaalsContact O-CD2 3.23Å; C43-F53 WeakPolarHBondContact O-CD2 3.07Å; P44-F53 PolarHBondContact O-N 3.45Å; R45-F53 WeakPolarHBondContact O-CE2 3.36Å; C46-F53 HydrophobicContact CB-CE1 4.44Å; C46-F53 HydrophobicContact CB-CZ 4.06Å; F53-R57 HydrophobicContact CD1-CG 4.1Å; F53-R57 WeakPolarHBondContact CD1-O 3.37Å; F53-K59 HydrophobicContact CB-CG 4.24Å; F53-K59 HydrophobicContact CD1-CG 3.91Å; F53-K59 HydrophobicContact CD2-CD 4.16Å; F53-K59 HydrophobicContact CD2-CG 3.64Å; F53-K59 HydrophobicContact CE1-CG 4.09Å; F53-K59 HydrophobicContact CE2-CD 4.45Å; F53-K59 HydrophobicContact CE2-CG 3.81Å; F53-K59 HydrophobicContact CG-CD 4.48Å; F53-K59 HydrophobicContact CG-CG 3.67Å; F53-K59 HydrophobicContact CZ-CG 4.04Å; F53-C70 HydrophobicContact CE1-CB 4.06Å
54D95.6Very high97.2Very high77 Ų7781.5 Ų81.541%0.41238%0.381SS..  trans-150.7-173.1-18057.945.5000109.1I56 R57D54-I56 PolarHBondContact O-N 3.34Å; D54-I56 WeakPolarHBondContact OD1-CA 3.46Å; D54-I56 PolarHBondContact OD1-N 2.75Å; D54-R57 PolarHBondContact N-O 3.06Å; D54-R57 CarbonylContact O-C 3.58Å; D54-R57 PolarHBondContact O-N 2.85Å; D54-R57 VanDerWaalsContact O-O 3.04Å; D54-R57 PolarHBondContact OD1-N 3.39Å; D54-R57 IonicContact OD2-CZ 3.29Å; D54-R57 IonicContact OD2-NH1 2.86Å; D54-R57 PolarHBondContact OD2-NH1 3.07Å
55F93.8Very high97.2Very high210 Ų21079.4 Ų79.492%0.92137%0.368SS*.SBendtrans-62.1-25.1-178.3-70.7-77.3000113.9
56I94.4Very high97.1Very high160 Ų16074.1 Ų74.182%0.82135%0.348SS*.SBendtrans-91.8-41.4179.5-58173.6000109.6D54 R58D54-I56 PolarHBondContact O-N 3.34Å; D54-I56 WeakPolarHBondContact OD1-CA 3.46Å; D54-I56 PolarHBondContact OD1-N 2.75Å; I56-R58 PolarHBondContact O-N 3.44Å
57R96.2Very high97Very high91 Ų9180.2 Ų80.234%0.34337%0.37SS..SBendtrans-93.591.5-179.2-166.5178.4-57.795.18.3110.6T51 K52 F53 D54 C70T51-R57 VanDerWaalsContact CG2-CD 3.49Å; K52-R57 WeakPolarHBondContact O-CD 3.5Å; K52-R57 PolarHBondContact O-NH1 3.16Å; F53-R57 HydrophobicContact CD1-CG 4.1Å; F53-R57 WeakPolarHBondContact CD1-O 3.37Å; D54-R57 PolarHBondContact N-O 3.06Å; D54-R57 CarbonylContact O-C 3.58Å; D54-R57 PolarHBondContact O-N 2.85Å; D54-R57 VanDerWaalsContact O-O 3.04Å; D54-R57 PolarHBondContact OD1-N 3.39Å; D54-R57 IonicContact OD2-CZ 3.29Å; D54-R57 IonicContact OD2-NH1 2.86Å; D54-R57 PolarHBondContact OD2-NH1 3.07Å; R57-C70 HydrophobicContact CG-CB 4.1Å
58R96.9Very high97Very high188 Ų18876.6 Ų76.671%0.70935%0.353SS*.  trans-74159.1178.1-55.9-166.2-172.1-173.84.7112.7I56 H60I56-R58 PolarHBondContact O-N 3.44Å; R58-H60 PolarHBondContact O-CD2 3.13Å
59K97.6Very high97.1Very high66 Ų6670.9 Ų70.929%0.28733%0.326SS..  trans-84.3142.2176.6-67177.4-167.7177.50110.7D40 C43 F53 C68D40-K59 HydrophobicContact CB-CD 4.1Å; D40-K59 PolarHBondContact O-NZ 3.34Å; D40-K59 WeakPolarHBondContact OD1-CD 3.39Å; C43-K59 HydrophobicContact CB-CD 4.41Å; C43-K59 WeakPolarHBondContact O-CE 3.24Å; C43-K59 PolarHBondContact O-NZ 2.9Å; C43-K59 VanDerWaalsContact O-NZ 3.08Å; F53-K59 HydrophobicContact CB-CG 4.24Å; F53-K59 HydrophobicContact CD1-CG 3.91Å; F53-K59 HydrophobicContact CD2-CD 4.16Å; F53-K59 HydrophobicContact CD2-CG 3.64Å; F53-K59 HydrophobicContact CE1-CG 4.09Å; F53-K59 HydrophobicContact CE2-CD 4.45Å; F53-K59 HydrophobicContact CE2-CG 3.81Å; F53-K59 HydrophobicContact CG-CD 4.48Å; F53-K59 HydrophobicContact CG-CG 3.67Å; F53-K59 HydrophobicContact CZ-CG 4.04Å; K59-C68 VanDerWaalsContact CB-SG 3.57Å
60H97.3Very high97.1Very high43 Ų4368.5 Ų68.520%0.19931%0.309CS..EExtended strand (participates in β ladder)trans-139.9124.4177.2-57.1-75000111.4R58 F69 D71R58-H60 PolarHBondContact O-CD2 3.13Å; H60-F69 PolarHBondContact N-O 2.87Å; H60-F69 PolarHBondContact O-N 3.45Å; H60-D71 PolarHBondContact CD2-N 2.85Å; H60-D71 VanDerWaalsContact CD2-N 3.32Å
61H97.5Very high97.1Very high14 Ų1467.5 Ų67.57%0.06530%0.304CS..EExtended strand (participates in β ladder)trans-88.2137176.8-60.372.7000112.2W37 V38 D40 R63 G66 R67W37-H61 HydrophobicContact CD2-CB 3.51Å; W37-H61 AromaticContact CD2-CD2 3.93Å; W37-H61 AromaticContact CD2-CG 3.62Å; W37-H61 HydrophobicContact CE3-CB 3.73Å; W37-H61 AromaticContact CE3-CD2 3.96Å; W37-H61 AromaticContact CE3-CG 3.5Å; W37-H61 VanDerWaalsContact CE3-CG 3.5Å; W37-H61 AromaticContact CE3-ND1 3.66Å; W37-H61 HydrophobicContact CG-CB 3.98Å; W37-H61 AromaticContact CG-CD2 3.83Å; W37-H61 AromaticContact CG-CG 3.99Å; W37-H61 HydrophobicContact CH2-CB 4.26Å; W37-H61 HydrophobicContact CZ2-CB 4.04Å; W37-H61 HydrophobicContact CZ3-CB 4.11Å; V38-H61 PolarHBondContact O-NE2 2.93Å; D40-H61 IonicContact OD1-CE1 2.8Å; D40-H61 PolarHBondContact OD1-CE1 3.1Å; D40-H61 IonicContact OD1-NE2 2.66Å; H61-R63 PolarHBondContact O-NH1 3.45Å; H61-G66 PolarHBondContact CD2-O 3.18Å; H61-R67 VanDerWaalsContact CA-O 3.31Å; H61-R67 WeakPolarHBondContact CA-O 3.5Å
62C97.9Very high97Very high0 Ų074 Ų740%033%0.328CS..  trans-74.5126.3167.8172.80000109.3R64 C65 G66 R67 F69 C92C62-R64 PolarHBondContact O-N 3.19Å; C62-R64 PolarHBondContact SG-N 2.97Å; C62-R64 VanDerWaalsContact SG-N 3.45Å; C62-C65 VanDerWaalsContact CB-SG 3.56Å; C62-C65 VanDerWaalsContact SG-SG 3.64Å; C62-G66 WeakPolarHBondContact O-CA 3.45Å; C62-G66 PolarHBondContact O-N 3.48Å; C62-R67 PolarHBondContact N-O 3.06Å; C62-F69 HydrophobicContact CB-CD2 4.13Å; C62-F69 HydrophobicContact CB-CE2 3.71Å; C62-C92 HydrophobicContact CB-CB 4.11Å; C62-C92 PolarHBondContact SG-N 2.87Å; C62-C92 VanDerWaalsContact SG-N 3.36Å
63R97.4Very high97Very high50 Ų5068.8 Ų68.819%0.18931%0.308CS..THydrogen-bonded Turntrans-71.1-12.6-178.6-80.272.5171.6155.53.3114.3P35 W37 H61 V89 R90P35-R63 WeakPolarHBondContact CD-O 3.45Å; W37-R63 HydrophobicContact CZ2-CG 4.38Å; H61-R63 PolarHBondContact O-NH1 3.45Å; R63-V89 HydrophobicContact CB-CB 3.83Å; R63-V89 HydrophobicContact CB-CG2 3.69Å; R63-V89 HydrophobicContact CG-CB 3.92Å; R63-V89 HydrophobicContact CG-CG1 4.37Å; R63-V89 HydrophobicContact CG-CG2 4.35Å; R63-R90 VanDerWaalsContact CD-O 3.27Å; R63-R90 WeakPolarHBondContact CD-O 3.37Å; R63-R90 PolarHBondContact N-O 3.2Å
64R96.1Very high97Very high51 Ų5167.9 Ų67.919%0.19230%0.304CS..THydrogen-bonded Turntrans-92.9-37.4177.1-171.1177.6-170.8-81.3-1.6113.2P35 C62 L80 M83 C95 S99 E102P35-R64 WeakPolarHBondContact CG-O 3.3Å; C62-R64 PolarHBondContact O-N 3.19Å; C62-R64 PolarHBondContact SG-N 2.97Å; C62-R64 VanDerWaalsContact SG-N 3.45Å; R64-L80 HydrophobicContact CB-CD2 3.99Å; R64-L80 HydrophobicContact CG-CD1 4.19Å; R64-L80 HydrophobicContact CG-CD2 4.43Å; R64-M83 HydrophobicContact CG-CE 4.19Å; R64-M83 WeakPolarHBondContact O-CE 3.16Å; R64-C95 HydrophobicContact CB-CB 3.92Å; R64-C95 HydrophobicContact CG-CB 4.28Å; R64-S99 WeakPolarHBondContact CD-OG 3.21Å; R64-E102 IonicContact CZ-OE1 3.53Å; R64-E102 IonicContact NE-OE2 3.88Å; R64-E102 IonicContact NH2-OE1 3.88Å; R64-E102 PolarHBondContact NH2-OE1 2.86Å; R64-E102 IonicContact NH2-OE2 3.26Å
65C96.6Very high97.1Very high40 Ų4067.3 Ų67.327%0.2731%0.306SS..THydrogen-bonded Turntrans-117.5-5.2-176.969.80000115.4C62 R67C62-C65 VanDerWaalsContact CB-SG 3.56Å; C62-C65 VanDerWaalsContact SG-SG 3.64Å; C65-R67 PolarHBondContact O-N 3.43Å
66G96.5Very high97.2Very high0 Ų061.7 Ų61.70%028%0.281CS..  trans71.4-5.8178.200000115.6W37 V38 H61 C62W37-G66 WeakPolarHBondContact CA-O 3.4Å; V38-G66 PolarHBondContact N-O 2.93Å; H61-G66 PolarHBondContact CD2-O 3.18Å; C62-G66 WeakPolarHBondContact O-CA 3.45Å; C62-G66 PolarHBondContact O-N 3.48Å
67R97.8Very high97.4Very high131 Ų13161.3 Ų61.349%0.49427%0.274SS..  trans-70.1156.4177.5-66.8-177.2-171.7163.83.6112.5M47 H61 C62 C65 F69M47-R67 HydrophobicContact SD-CB 3.59Å; M47-R67 VanDerWaalsContact SD-CB 3.59Å; M47-R67 HydrophobicContact SD-CG 3.89Å; H61-R67 VanDerWaalsContact CA-O 3.31Å; H61-R67 WeakPolarHBondContact CA-O 3.5Å; C62-R67 PolarHBondContact N-O 3.06Å; C65-R67 PolarHBondContact O-N 3.43Å; R67-F69 HydrophobicContact CB-CD2 4.46Å; R67-F69 HydrophobicContact CB-CE2 3.47Å; R67-F69 VanDerWaalsContact CB-CE2 3.47Å; R67-F69 HydrophobicContact CB-CZ 3.56Å; R67-F69 VanDerWaalsContact O-CD2 3.26Å; R67-F69 WeakPolarHBondContact O-CD2 3.44Å; R67-F69 WeakPolarHBondContact O-CE2 3.45Å
68C98.2Very high97.4Very high0 Ų057.4 Ų57.40%026%0.26CS..EExtended strand (participates in β ladder)trans-103.3131.6-175.6179.60000113.2C43 M47 K59C43-C68 HydrophobicContact CB-CB 3.63Å; C43-C68 WeakPolarHBondContact SG-CB 3.26Å; M47-C68 WeakPolarHBondContact CB-O 3.32Å; M47-C68 HydrophobicContact CE-CB 4.49Å; M47-C68 WeakPolarHBondContact CG-O 3.49Å; M47-C68 PolarHBondContact N-O 3.2Å; M47-C68 HydrophobicContact SD-CB 4.42Å; M47-C68 PolarHBondContact SD-N 3.42Å; M47-C68 VanDerWaalsContact SD-N 3.38Å; K59-C68 VanDerWaalsContact CB-SG 3.57Å
69F98.5Very high97.4Very high4 Ų449.8 Ų49.82%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-137.4163.1-172.5-58.1-83.3000112.1M47 Q48 H60 C62 R67 C73 C74 C92M47-F69 HydrophobicContact CB-CE1 4.2Å; Q48-F69 HydrophobicContact CB-CD1 3.82Å; Q48-F69 HydrophobicContact CB-CE1 3.91Å; H60-F69 PolarHBondContact N-O 2.87Å; H60-F69 PolarHBondContact O-N 3.45Å; C62-F69 HydrophobicContact CB-CD2 4.13Å; C62-F69 HydrophobicContact CB-CE2 3.71Å; R67-F69 HydrophobicContact CB-CD2 4.46Å; R67-F69 HydrophobicContact CB-CE2 3.47Å; R67-F69 VanDerWaalsContact CB-CE2 3.47Å; R67-F69 HydrophobicContact CB-CZ 3.56Å; R67-F69 VanDerWaalsContact O-CD2 3.26Å; R67-F69 WeakPolarHBondContact O-CD2 3.44Å; R67-F69 WeakPolarHBondContact O-CE2 3.45Å; F69-C73 HydrophobicContact CB-CB 4.13Å; F69-C73 HydrophobicContact CD1-CB 4.15Å; F69-C74 HydrophobicContact CB-CB 3.47Å; F69-C74 VanDerWaalsContact CB-CB 3.47Å; F69-C74 HydrophobicContact CD2-CB 4.07Å; F69-C74 HydrophobicContact CG-CB 3.96Å; F69-C92 HydrophobicContact CD1-CB 4.33Å; F69-C92 HydrophobicContact CD2-CB 3.93Å; F69-C92 HydrophobicContact CE1-CB 3.98Å; F69-C92 HydrophobicContact CE2-CB 3.54Å; F69-C92 HydrophobicContact CG-CB 4.31Å; F69-C92 HydrophobicContact CZ-CB 3.56Å
70C98.3Very high97.3Very high9 Ų946.7 Ų46.76%0.06122%0.224CC..  trans-78.9165.2162.872.60000110.6C46 F53 R57 K72 C73 C74C46-C70 HydrophobicContact CB-CB 4.31Å; C46-C70 PolarHBondContact SG-N 3.39Å; F53-C70 HydrophobicContact CE1-CB 4.06Å; R57-C70 HydrophobicContact CG-CB 4.1Å; C70-K72 VanDerWaalsContact C-N 3.3Å; C70-K72 PolarHBondContact O-N 3.28Å; C70-C73 PolarHBondContact O-N 2.83Å; C70-C73 VanDerWaalsContact O-N 3.11Å; C70-C73 VanDerWaalsContact SG-SG 3.68Å; C70-C74 PolarHBondContact O-N 3.12Å
71D97.5Very high97.2Very high78 Ų7846.8 Ų46.842%0.41723%0.228SC..G310 helixtrans-56.4-43.5-176.5-175.569.9000112.1H60 C73 C74 S75 R90H60-D71 PolarHBondContact CD2-N 2.85Å; H60-D71 VanDerWaalsContact CD2-N 3.32Å; D71-C73 VanDerWaalsContact C-N 3.3Å; D71-C73 PolarHBondContact O-N 2.9Å; D71-C74 CarbonylContact O-C 3.6Å; D71-C74 PolarHBondContact O-N 3.26Å; D71-S75 WeakPolarHBondContact O-CA 3.44Å; D71-S75 VanDerWaalsContact O-CB 3.24Å; D71-S75 WeakPolarHBondContact O-CB 3.37Å; D71-S75 PolarHBondContact O-N 2.8Å; D71-R90 IonicContact OD1-CZ 3.54Å; D71-R90 IonicContact OD1-NH1 2.95Å; D71-R90 PolarHBondContact OD1-NH1 3.03Å; D71-R90 IonicContact OD1-NH2 3.76Å; D71-R90 PolarHBondContact OD1-NH2 2.79Å
72K97.4Very high97Very high190 Ų19046.1 Ų46.183%0.82623%0.225SC*.G310 helixtrans-57.2-38.9178.5-63.6-172.7179.8-175.70113.4C70 C74C70-K72 VanDerWaalsContact C-N 3.3Å; C70-K72 PolarHBondContact O-N 3.28Å; K72-C74 VanDerWaalsContact C-N 3.34Å
73C98.2Very high96.8Very high23 Ų2346.3 Ų46.316%0.15523%0.226CC..G310 helixtrans-84-10.6-178.5-67.10000113.1Q48 C49 F69 C70 D71 C92 A93Q48-C73 HydrophobicContact CB-CB 4.01Å; Q48-C73 HydrophobicContact CG-CB 4.37Å; C49-C73 VanDerWaalsContact SG-SG 3.61Å; F69-C73 HydrophobicContact CB-CB 4.13Å; F69-C73 HydrophobicContact CD1-CB 4.15Å; C70-C73 PolarHBondContact O-N 2.83Å; C70-C73 VanDerWaalsContact O-N 3.11Å; C70-C73 VanDerWaalsContact SG-SG 3.68Å; D71-C73 VanDerWaalsContact C-N 3.3Å; D71-C73 PolarHBondContact O-N 2.9Å; C73-C92 WeakPolarHBondContact O-CA 3.26Å; C73-A93 PolarHBondContact O-N 2.83Å
74C98Very high96.6Very high0 Ų045.1 Ų45.10%023%0.225CC..SBendtrans-146.450.8-173.2-169.30000111.3F69 C70 D71 K72 R90 Q91 C92F69-C74 HydrophobicContact CB-CB 3.47Å; F69-C74 VanDerWaalsContact CB-CB 3.47Å; F69-C74 HydrophobicContact CD2-CB 4.07Å; F69-C74 HydrophobicContact CG-CB 3.96Å; C70-C74 PolarHBondContact O-N 3.12Å; D71-C74 CarbonylContact O-C 3.6Å; D71-C74 PolarHBondContact O-N 3.26Å; K72-C74 VanDerWaalsContact C-N 3.34Å; C74-R90 WeakPolarHBondContact O-CD 3.37Å; C74-R90 WeakPolarHBondContact O-CG 3.37Å; C74-R90 PolarHBondContact O-NH1 3.33Å; C74-Q91 CarbonylContact C-O 3.6Å; C74-Q91 WeakPolarHBondContact CA-O 3.22Å; C74-C92 PolarHBondContact SG-N 2.96Å
75S96.4Very high96.6Very high65 Ų6543.5 Ų43.546%0.45522%0.219SC..  trans-95.6-20.9-173.853.20000114.2D71D71-S75 WeakPolarHBondContact O-CA 3.44Å; D71-S75 VanDerWaalsContact O-CB 3.24Å; D71-S75 WeakPolarHBondContact O-CB 3.37Å; D71-S75 PolarHBondContact O-N 2.8Å
76K97.2Very high96.5Very high93 Ų9344.7 Ų44.740%0.40423%0.225SC..EExtended strand (participates in β ladder)trans-77.1139.6-173.3-66.5179.8179.9-179.50111.2V78 R90 Q91 S96K76-V78 HydrophobicContact CB-CG2 4.25Å; K76-R90 CarbonylContact O-C 3.42Å; K76-R90 VanDerWaalsContact O-CA 3.31Å; K76-R90 WeakPolarHBondContact O-CA 3.36Å; K76-Q91 PolarHBondContact O-N 3.23Å; K76-S96 WeakPolarHBondContact CD-OG 3.09Å
77K97.1Very high96.4Very high152 Ų15249.6 Ų49.666%0.66125%0.251SS*.EExtended strand (participates in β ladder)trans-105.2123.2164.9-66.2-174.1-179.2-178.30109.2P88 V89K77-P88 HydrophobicContact CB-CB 4.09Å; K77-V89 CarbonylContact C-O 3.59Å; K77-V89 VanDerWaalsContact CA-O 3.28Å; K77-V89 WeakPolarHBondContact CA-O 3.47Å
78V96.7Very high96.4Very high9 Ų946.9 Ų46.96%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-134144.1-175.9-173.10000109.1K76 P88 V89 Q100K76-V78 HydrophobicContact CB-CG2 4.25Å; V78-P88 WeakPolarHBondContact O-CA 3.42Å; V78-V89 PolarHBondContact N-O 3.19Å; V78-V89 PolarHBondContact O-N 3.28Å; V78-Q100 HydrophobicContact CG1-CG 3.9Å
79A96.4Very high96.3Very high28 Ų2847.4 Ų47.423%0.23125%0.254CS..  trans-56.514017200000110.3
80L96.3Very high96.3Very high1 Ų149.8 Ų49.81%0.00526%0.263CS..  trans-134.668.3178.2-172.356.7000110.8R64 R82 M83 F85 V89 S99R64-L80 HydrophobicContact CB-CD2 3.99Å; R64-L80 HydrophobicContact CG-CD1 4.19Å; R64-L80 HydrophobicContact CG-CD2 4.43Å; L80-R82 PolarHBondContact O-N 3.38Å; L80-M83 HydrophobicContact CD2-CB 4.26Å; L80-M83 HydrophobicContact CD2-CG 4.26Å; L80-M83 HydrophobicContact CD2-SD 3.65Å; L80-M83 HydrophobicContact CG-CB 4.13Å; L80-M83 HydrophobicContact CG-CG 4.27Å; L80-M83 HydrophobicContact CG-SD 4.27Å; L80-M83 PolarHBondContact O-N 2.83Å; L80-F85 HydrophobicContact CB-CD2 4.06Å; L80-F85 HydrophobicContact CD2-CD2 3.86Å; L80-F85 HydrophobicContact CD2-CE2 3.99Å; L80-F85 HydrophobicContact CG-CD2 4.1Å; L80-F85 PolarHBondContact O-N 3.42Å; L80-V89 HydrophobicContact CB-CG2 3.78Å; L80-V89 HydrophobicContact CD2-CG2 3.85Å; L80-V89 HydrophobicContact CG-CG2 4.5Å; L80-S99 WeakPolarHBondContact CD1-OG 3.28Å
81P94.6Very high96.3Very high44 Ų4449.3 Ų49.329%0.28626%0.26SS..G310 helixtrans-63-30.1-175.5-21.734.3000113.2M83 C84 Y106P81-M83 PolarHBondContact O-N 3.34Å; P81-C84 WeakPolarHBondContact O-CA 3.29Å; P81-C84 PolarHBondContact O-N 3.08Å; P81-Y106 HydrophobicContact CB-CD1 4.01Å; P81-Y106 HydrophobicContact CB-CD2 3.98Å; P81-Y106 HydrophobicContact CB-CE1 4.13Å; P81-Y106 HydrophobicContact CB-CE2 4.1Å; P81-Y106 HydrophobicContact CB-CG 3.94Å; P81-Y106 HydrophobicContact CG-CD2 4.07Å; P81-Y106 HydrophobicContact CG-CG 4.13Å
82R93.7Very high96.3Very high1 Ų145.9 Ų45.90%0.00424%0.242CC..G310 helixtrans-57.7-36.3178.1-65.8-166.274.3178.32.6112.7F30 S31 L32 L80 C84 E102 Y106 L219 E222F30-R82 PolarHBondContact O-NE 3.5Å; F30-R82 VanDerWaalsContact O-NE 3.08Å; S31-R82 CarbonylContact C-O 3.56Å; S31-R82 WeakPolarHBondContact CA-O 3.36Å; S31-R82 WeakPolarHBondContact CB-O 3.5Å; L32-R82 HydrophobicContact CB-CB 4.42Å; L32-R82 HydrophobicContact CD1-CB 4.13Å; L32-R82 HydrophobicContact CG-CB 4.12Å; L32-R82 PolarHBondContact N-O 2.97Å; L80-R82 PolarHBondContact O-N 3.38Å; R82-C84 VanDerWaalsContact C-N 3.33Å; R82-E102 VanDerWaalsContact CD-OE1 3.25Å; R82-E102 WeakPolarHBondContact CD-OE1 3.49Å; R82-E102 IonicContact CZ-OE1 3.58Å; R82-E102 IonicContact NE-OE1 3.15Å; R82-E102 IonicContact NH1-OE1 2.75Å; R82-E102 PolarHBondContact NH1-OE1 2.97Å; R82-Y106 HydrophobicContact CG-CE2 3.71Å; R82-Y106 WeakPolarHBondContact CG-OH 3.15Å; R82-L219 PolarHBondContact NH2-O 2.65Å; R82-E222 IonicContact CZ-OE2 3.84Å; R82-E222 IonicContact NH1-OE2 3.83Å; R82-E222 PolarHBondContact NH1-OE2 2.83Å
83M94.2Very high96.2Very high3 Ų339.2 Ų39.22%0.01522%0.222CC..G310 helixtrans-97.715.4176.2-62.9175.9-177.100112.5R18 L32 D33 R64 L80 P81 F85R18-M83 PolarHBondContact NE-O 2.79Å; R18-M83 PolarHBondContact NH2-O 2.92Å; L32-M83 HydrophobicContact CB-CE 4.08Å; L32-M83 HydrophobicContact CB-CG 3.94Å; L32-M83 HydrophobicContact CD1-CE 4.23Å; D33-M83 WeakPolarHBondContact O-CE 3.37Å; R64-M83 HydrophobicContact CG-CE 4.19Å; R64-M83 WeakPolarHBondContact O-CE 3.16Å; L80-M83 HydrophobicContact CD2-CB 4.26Å; L80-M83 HydrophobicContact CD2-CG 4.26Å; L80-M83 HydrophobicContact CD2-SD 3.65Å; L80-M83 HydrophobicContact CG-CB 4.13Å; L80-M83 HydrophobicContact CG-CG 4.27Å; L80-M83 HydrophobicContact CG-SD 4.27Å; L80-M83 PolarHBondContact O-N 2.83Å; P81-M83 PolarHBondContact O-N 3.34Å; M83-F85 HydrophobicContact CB-CD2 3.74Å; M83-F85 HydrophobicContact CB-CE2 3.61Å; M83-F85 PolarHBondContact O-N 2.98Å; M83-F85 HydrophobicContact SD-CE2 4.32Å
84C94.1Very high96.1Very high26 Ų2644 Ų4418%0.17624%0.243CC..THydrogen-bonded Turntrans62.223.1175.2-53.60000115R18 M19 V20 P81 R82R18-C84 CarbonylContact C-O 3.57Å; R18-C84 WeakPolarHBondContact CA-O 3.47Å; M19-C84 PolarHBondContact N-O 2.82Å; M19-C84 VanDerWaalsContact O-CB 3.31Å; M19-C84 WeakPolarHBondContact O-CB 3.4Å; V20-C84 HydrophobicContact CG1-CB 4.11Å; P81-C84 WeakPolarHBondContact O-CA 3.29Å; P81-C84 PolarHBondContact O-N 3.08Å; R82-C84 VanDerWaalsContact C-N 3.33Å
85F95.8Very high96.1Very high16 Ų1644.4 Ų44.47%0.0725%0.245CC..BIsolated β-bridgetrans-69.3134.5174.8-73.1-74000111R18 L80 M83 V89R18-F85 HydrophobicContact CG-CD1 3.5Å; R18-F85 HydrophobicContact CG-CE1 3.47Å; R18-F85 VanDerWaalsContact CG-CE1 3.47Å; R18-F85 HydrophobicContact CG-CG 4.11Å; R18-F85 HydrophobicContact CG-CZ 4.07Å; L80-F85 HydrophobicContact CB-CD2 4.06Å; L80-F85 HydrophobicContact CD2-CD2 3.86Å; L80-F85 HydrophobicContact CD2-CE2 3.99Å; L80-F85 HydrophobicContact CG-CD2 4.1Å; L80-F85 PolarHBondContact O-N 3.42Å; M83-F85 HydrophobicContact CB-CD2 3.74Å; M83-F85 HydrophobicContact CB-CE2 3.61Å; M83-F85 PolarHBondContact O-N 2.98Å; M83-F85 HydrophobicContact SD-CE2 4.32Å; F85-V89 HydrophobicContact CB-CG1 3.94Å; F85-V89 HydrophobicContact CD1-CG1 3.63Å; F85-V89 HydrophobicContact CD2-CG1 4.18Å; F85-V89 HydrophobicContact CD2-CG2 4.21Å; F85-V89 HydrophobicContact CE1-CG1 4.2Å; F85-V89 HydrophobicContact CG-CG1 3.63Å; F85-V89 HydrophobicContact CG-CG2 4.42Å
86V93.8Very high96.1Very high66 Ų6641.3 Ų41.340%0.422%0.224SC..SBendtrans-74.6-46.3179.7-179.90000110.7L10 L17 M19L10-V86 HydrophobicContact CD2-CG2 4.04Å; L17-V86 HydrophobicContact CD2-CG2 4.44Å; L17-V86 HydrophobicContact CG-CG2 4.29Å; L17-V86 PolarHBondContact O-N 3.33Å; M19-V86 HydrophobicContact CB-CG2 3.92Å
87D94.8Very high96.1Very high102 Ų10241.4 Ų41.455%0.54523%0.228SC..SBendtrans-104.3156-178-62.7-49.5000111.8V89D87-V89 PolarHBondContact O-N 2.94Å
88P96.6Very high96Very high75 Ų7536.7 Ų36.749%0.48721%0.212SC..  trans-55.2126.9170.4-26.735.8000112.6K77 V78K77-P88 HydrophobicContact CB-CB 4.09Å; V78-P88 WeakPolarHBondContact O-CA 3.42Å
89V96.9Very high96Very high11 Ų1136.3 Ų36.37%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-108154.8-175.5-68.20000112.3R63 K77 V78 L80 F85 D87 Q91R63-V89 HydrophobicContact CB-CB 3.83Å; R63-V89 HydrophobicContact CB-CG2 3.69Å; R63-V89 HydrophobicContact CG-CB 3.92Å; R63-V89 HydrophobicContact CG-CG1 4.37Å; R63-V89 HydrophobicContact CG-CG2 4.35Å; K77-V89 CarbonylContact C-O 3.59Å; K77-V89 VanDerWaalsContact CA-O 3.28Å; K77-V89 WeakPolarHBondContact CA-O 3.47Å; V78-V89 PolarHBondContact N-O 3.19Å; V78-V89 PolarHBondContact O-N 3.28Å; L80-V89 HydrophobicContact CB-CG2 3.78Å; L80-V89 HydrophobicContact CD2-CG2 3.85Å; L80-V89 HydrophobicContact CG-CG2 4.5Å; F85-V89 HydrophobicContact CB-CG1 3.94Å; F85-V89 HydrophobicContact CD1-CG1 3.63Å; F85-V89 HydrophobicContact CD2-CG1 4.18Å; F85-V89 HydrophobicContact CD2-CG2 4.21Å; F85-V89 HydrophobicContact CE1-CG1 4.2Å; F85-V89 HydrophobicContact CG-CG1 3.63Å; F85-V89 HydrophobicContact CG-CG2 4.42Å; D87-V89 PolarHBondContact O-N 2.94Å; V89-Q91 HydrophobicContact CG2-CG 4.49Å; V89-Q91 PolarHBondContact O-N 3.29Å
90R97.6Very high95.8Very high53 Ų5339.2 Ų39.220%0.222%0.218CC..EExtended strand (participates in β ladder)trans-65.3129.7179.6-178.3-176.1-72.1-98.64.8111.5R63 D71 C74 K76R63-R90 VanDerWaalsContact CD-O 3.27Å; R63-R90 WeakPolarHBondContact CD-O 3.37Å; R63-R90 PolarHBondContact N-O 3.2Å; D71-R90 IonicContact OD1-CZ 3.54Å; D71-R90 IonicContact OD1-NH1 2.95Å; D71-R90 PolarHBondContact OD1-NH1 3.03Å; D71-R90 IonicContact OD1-NH2 3.76Å; D71-R90 PolarHBondContact OD1-NH2 2.79Å; C74-R90 WeakPolarHBondContact O-CD 3.37Å; C74-R90 WeakPolarHBondContact O-CG 3.37Å; C74-R90 PolarHBondContact O-NH1 3.33Å; K76-R90 CarbonylContact O-C 3.42Å; K76-R90 VanDerWaalsContact O-CA 3.31Å; K76-R90 WeakPolarHBondContact O-CA 3.36Å
91Q98.1Very high95.6Very high0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-134.7152.9178.3-59-169.517.400113C74 K76 V89 C95 S99C74-Q91 CarbonylContact C-O 3.6Å; C74-Q91 WeakPolarHBondContact CA-O 3.22Å; K76-Q91 PolarHBondContact O-N 3.23Å; V89-Q91 HydrophobicContact CG2-CG 4.49Å; V89-Q91 PolarHBondContact O-N 3.29Å; Q91-C95 HydrophobicContact CB-CB 4.22Å; Q91-C95 PolarHBondContact OE1-O 2.99Å; Q91-C95 VanDerWaalsContact OE1-O 3.04Å; Q91-S99 PolarHBondContact NE2-OG 2.66Å; Q91-S99 VanDerWaalsContact NE2-OG 3.1Å; Q91-S99 PolarHBondContact OE1-OG 2.95Å
92C98.3Very high95.6Very high5 Ų545.6 Ų45.63%0.03424%0.242CC..  trans-68.2164.6169720000110.9C62 F69 C73 C74 E94 C95 S96C62-C92 HydrophobicContact CB-CB 4.11Å; C62-C92 PolarHBondContact SG-N 2.87Å; C62-C92 VanDerWaalsContact SG-N 3.36Å; F69-C92 HydrophobicContact CD1-CB 4.33Å; F69-C92 HydrophobicContact CD2-CB 3.93Å; F69-C92 HydrophobicContact CE1-CB 3.98Å; F69-C92 HydrophobicContact CE2-CB 3.54Å; F69-C92 HydrophobicContact CG-CB 4.31Å; F69-C92 HydrophobicContact CZ-CB 3.56Å; C73-C92 WeakPolarHBondContact O-CA 3.26Å; C74-C92 PolarHBondContact SG-N 2.96Å; C92-E94 VanDerWaalsContact C-N 3.31Å; C92-E94 PolarHBondContact O-N 2.91Å; C92-C95 PolarHBondContact O-N 3.32Å; C92-C95 PolarHBondContact SG-N 3.45Å; C92-C95 VanDerWaalsContact SG-N 3.45Å; C92-C95 VanDerWaalsContact SG-SG 3.62Å; C92-S96 WeakPolarHBondContact O-CB 3.46Å; C92-S96 PolarHBondContact O-N 2.92Å
93A95.6Very high95.5Very high51 Ų5148.7 Ų48.742%0.42126%0.256SS..Hα-helixtrans-53.7-46.2-178.400000112.8C73 S96 L97C73-A93 PolarHBondContact O-N 2.83Å; A93-S96 PolarHBondContact O-OG 3.35Å; A93-L97 PolarHBondContact O-N 2.82Å
94E96.7Very high95.3Very high124 Ų12452.6 Ų52.658%0.57927%0.274SS*.Hα-helixtrans-64.8-53.6-179.4-174-179.2-172.500112.2C92 S96 L97 V98C92-E94 VanDerWaalsContact C-N 3.31Å; C92-E94 PolarHBondContact O-N 2.91Å; E94-S96 PolarHBondContact O-N 3.15Å; E94-L97 PolarHBondContact O-N 2.92Å; E94-L97 VanDerWaalsContact O-N 3.12Å; E94-V98 PolarHBondContact O-N 3.31Å
95C97.6Very high95.4Very high8 Ų851.7 Ų51.75%0.05427%0.267CS..Hα-helixtrans-59.3-37.5179.6-76.60000112.3R64 Q91 C92 L97 V98 S99R64-C95 HydrophobicContact CB-CB 3.92Å; R64-C95 HydrophobicContact CG-CB 4.28Å; Q91-C95 HydrophobicContact CB-CB 4.22Å; Q91-C95 PolarHBondContact OE1-O 2.99Å; Q91-C95 VanDerWaalsContact OE1-O 3.04Å; C92-C95 PolarHBondContact O-N 3.32Å; C92-C95 PolarHBondContact SG-N 3.45Å; C92-C95 VanDerWaalsContact SG-N 3.45Å; C92-C95 VanDerWaalsContact SG-SG 3.62Å; C95-L97 PolarHBondContact O-N 3.27Å; C95-V98 PolarHBondContact O-N 3.48Å; C95-V98 VanDerWaalsContact O-N 3.1Å; C95-S99 PolarHBondContact O-N 3.26Å
96S97.1Very high95.3Very high0 Ų052.6 Ų52.60%027%0.27CS..Hα-helixtrans-59.1-36.3179.576.40000112.6K76 C92 A93 E94 Q100K76-S96 WeakPolarHBondContact CD-OG 3.09Å; C92-S96 WeakPolarHBondContact O-CB 3.46Å; C92-S96 PolarHBondContact O-N 2.92Å; A93-S96 PolarHBondContact O-OG 3.35Å; E94-S96 PolarHBondContact O-N 3.15Å; S96-Q100 WeakPolarHBondContact O-CB 3.45Å; S96-Q100 WeakPolarHBondContact O-CG 3.38Å; S96-Q100 PolarHBondContact O-N 3.27Å; S96-Q100 VanDerWaalsContact O-N 3.08Å
97L95.8Very high95.2Very high95 Ų9553.3 Ų53.350%0.49727%0.272SS..Hα-helixtrans-71.2-38.4178.1-64.8173.4000111.2A93 E94 C95 K101A93-L97 PolarHBondContact O-N 2.82Å; E94-L97 PolarHBondContact O-N 2.92Å; E94-L97 VanDerWaalsContact O-N 3.12Å; C95-L97 PolarHBondContact O-N 3.27Å; L97-K101 WeakPolarHBondContact O-CG 3.45Å; L97-K101 PolarHBondContact O-N 3.37Å
98V95.1Very high95.1Very high52 Ų5254.6 Ų54.632%0.31527%0.273SS..Hα-helixtrans-65.8-50.9177-174.80000110.3E94 C95 Q100 K101 E102E94-V98 PolarHBondContact O-N 3.31Å; C95-V98 PolarHBondContact O-N 3.48Å; C95-V98 VanDerWaalsContact O-N 3.1Å; V98-Q100 VanDerWaalsContact C-N 3.28Å; V98-Q100 PolarHBondContact O-N 2.81Å; V98-K101 WeakPolarHBondContact O-CB 3.48Å; V98-K101 PolarHBondContact O-N 3Å; V98-K101 VanDerWaalsContact O-N 3.08Å; V98-E102 HydrophobicContact CG1-CG 4.39Å; V98-E102 WeakPolarHBondContact O-CG 3.38Å; V98-E102 PolarHBondContact O-N 2.9Å
99S96.1Very high95.1Very high1 Ų152.2 Ų52.21%0.00726%0.255CS..Hα-helixtrans-61.8-33.5178.8-70.40000113.5R64 L80 Q91 C95 E102 Q103R64-S99 WeakPolarHBondContact CD-OG 3.21Å; L80-S99 WeakPolarHBondContact CD1-OG 3.28Å; Q91-S99 PolarHBondContact NE2-OG 2.66Å; Q91-S99 VanDerWaalsContact NE2-OG 3.1Å; Q91-S99 PolarHBondContact OE1-OG 2.95Å; C95-S99 PolarHBondContact O-N 3.26Å; S99-E102 PolarHBondContact O-N 3.3Å; S99-Q103 WeakPolarHBondContact O-CB 3.38Å; S99-Q103 PolarHBondContact O-N 3.11Å
100Q94.3Very high95.1Very high89 Ų8952.6 Ų52.642%0.41626%0.257SS..Hα-helixtrans-66.2-39174.1-76169.123.300112.4V78 S96 V98 Q103V78-Q100 HydrophobicContact CG1-CG 3.9Å; S96-Q100 WeakPolarHBondContact O-CB 3.45Å; S96-Q100 WeakPolarHBondContact O-CG 3.38Å; S96-Q100 PolarHBondContact O-N 3.27Å; S96-Q100 VanDerWaalsContact O-N 3.08Å; V98-Q100 VanDerWaalsContact C-N 3.28Å; V98-Q100 PolarHBondContact O-N 2.81Å; Q100-Q103 WeakPolarHBondContact O-CB 3.4Å; Q100-Q103 PolarHBondContact O-N 3.29Å
101K91.7Very high95Very high168 Ų16856.9 Ų56.973%0.7328%0.277SS*.Hα-helixtrans-66.5-42.1173.7-69.7176.8-177.6-178.80111.3L97 V98 Q103 E104L97-K101 WeakPolarHBondContact O-CG 3.45Å; L97-K101 PolarHBondContact O-N 3.37Å; V98-K101 WeakPolarHBondContact O-CB 3.48Å; V98-K101 PolarHBondContact O-N 3Å; V98-K101 VanDerWaalsContact O-N 3.08Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 PolarHBondContact O-N 3.36Å; K101-E104 PolarHBondContact O-N 3.3Å
102E94.3Very high94.9Very high12 Ų1259 Ų596%0.05629%0.29CS..Hα-helixtrans-64-32.7175.6-67.7172.3158.700111.9R64 R82 V98 S99 E104 F105 Y106 L219R64-E102 IonicContact CZ-OE1 3.53Å; R64-E102 IonicContact NE-OE2 3.88Å; R64-E102 IonicContact NH2-OE1 3.88Å; R64-E102 PolarHBondContact NH2-OE1 2.86Å; R64-E102 IonicContact NH2-OE2 3.26Å; R82-E102 VanDerWaalsContact CD-OE1 3.25Å; R82-E102 WeakPolarHBondContact CD-OE1 3.49Å; R82-E102 IonicContact CZ-OE1 3.58Å; R82-E102 IonicContact NE-OE1 3.15Å; R82-E102 IonicContact NH1-OE1 2.75Å; R82-E102 PolarHBondContact NH1-OE1 2.97Å; V98-E102 HydrophobicContact CG1-CG 4.39Å; V98-E102 WeakPolarHBondContact O-CG 3.38Å; V98-E102 PolarHBondContact O-N 2.9Å; S99-E102 PolarHBondContact O-N 3.3Å; E102-E104 VanDerWaalsContact C-N 3.26Å; E102-E104 PolarHBondContact O-N 3.31Å; E102-F105 VanDerWaalsContact O-CB 3.28Å; E102-F105 WeakPolarHBondContact O-CB 3.17Å; E102-F105 PolarHBondContact O-N 2.93Å; E102-Y106 WeakPolarHBondContact O-CD2 3.12Å; E102-Y106 PolarHBondContact O-N 2.94Å; E102-L219 HydrophobicContact CG-CD2 4.12Å
103Q91.9Very high94.9Very high66 Ų6658.8 Ų58.831%0.30829%0.288SS..Hα-helixtrans-59.5-37-179.7-176.2176.8-600112.3S99 Q100 K101 F105 Y106 D107S99-Q103 WeakPolarHBondContact O-CB 3.38Å; S99-Q103 PolarHBondContact O-N 3.11Å; Q100-Q103 WeakPolarHBondContact O-CB 3.4Å; Q100-Q103 PolarHBondContact O-N 3.29Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 PolarHBondContact O-N 3.36Å; Q103-F105 PolarHBondContact O-N 3.16Å; Q103-Y106 PolarHBondContact O-N 3.2Å; Q103-Y106 VanDerWaalsContact O-N 3.17Å; Q103-D107 WeakPolarHBondContact CG-OD2 3.25Å; Q103-D107 PolarHBondContact NE2-OD2 3.41Å; Q103-D107 WeakPolarHBondContact O-CB 3.25Å; Q103-D107 PolarHBondContact O-N 3.1Å
104E90.3Very high95Very high85 Ų8558.8 Ų58.840%0.39728%0.281SS..Hα-helixtrans-58.8-35175.9-168.1-166.1-160.400112.1K101 E102 K108 K215K101-E104 PolarHBondContact O-N 3.3Å; E102-E104 VanDerWaalsContact C-N 3.26Å; E102-E104 PolarHBondContact O-N 3.31Å; E104-K108 HydrophobicContact CG-CD 4.37Å; E104-K108 PolarHBondContact O-N 3.2Å; E104-K108 VanDerWaalsContact O-N 3.16Å; E104-K215 IonicContact OE2-NZ 3.27Å; E104-K215 PolarHBondContact OE2-NZ 2.75Å
105F94.6Very high95Very high6 Ų656 Ų563%0.02629%0.285CS..Iπ-helixtrans-62.6-50.8176.2172.5-95.1000111F30 E102 Q103 Q109 L110 L113 K215 A216 L219F30-F105 HydrophobicContact CD2-CE1 4.24Å; F30-F105 HydrophobicContact CD2-CZ 4.42Å; F30-F105 HydrophobicContact CE1-CZ 4.36Å; F30-F105 HydrophobicContact CE2-CE1 4.29Å; F30-F105 HydrophobicContact CE2-CZ 4.05Å; F30-F105 HydrophobicContact CZ-CZ 4.05Å; E102-F105 VanDerWaalsContact O-CB 3.28Å; E102-F105 WeakPolarHBondContact O-CB 3.17Å; E102-F105 PolarHBondContact O-N 2.93Å; Q103-F105 PolarHBondContact O-N 3.16Å; F105-Q109 HydrophobicContact CD2-CB 3.72Å; F105-Q109 HydrophobicContact CD2-CG 4.41Å; F105-Q109 HydrophobicContact CE2-CB 4.26Å; F105-Q109 HydrophobicContact CG-CB 4.36Å; F105-Q109 CarbonylContact O-C 3.6Å; F105-Q109 WeakPolarHBondContact O-CA 3.47Å; F105-Q109 WeakPolarHBondContact O-CB 3.07Å; F105-Q109 PolarHBondContact O-N 2.77Å; F105-L110 HydrophobicContact CE1-CB 4.46Å; F105-L110 HydrophobicContact CE1-CD1 4.34Å; F105-L110 HydrophobicContact CZ-CD1 4.31Å; F105-L110 PolarHBondContact O-N 3.32Å; F105-L113 HydrophobicContact CE2-CD1 3.9Å; F105-L113 HydrophobicContact CZ-CD1 4.14Å; F105-K215 HydrophobicContact CD2-CB 4.1Å; F105-A216 HydrophobicContact CE2-CB 3.79Å; F105-A216 HydrophobicContact CZ-CB 3.99Å; F105-L219 HydrophobicContact CB-CD1 4.16Å; F105-L219 HydrophobicContact CD1-CD1 3.36Å; F105-L219 HydrophobicContact CD2-CD1 3.92Å; F105-L219 HydrophobicContact CE1-CD1 3.6Å; F105-L219 HydrophobicContact CE2-CD1 4.14Å; F105-L219 HydrophobicContact CG-CD1 3.53Å; F105-L219 HydrophobicContact CZ-CD1 3.99Å
106Y93.9Very high94.9Very high35 Ų3556 Ų5614%0.13729%0.287CS..Iπ-helixtrans-67.9-36.9-178.6-73.4-80.6000113.2F30 P81 R82 E102 Q103 L110F30-Y106 WeakPolarHBondContact CB-OH 3.37Å; P81-Y106 HydrophobicContact CB-CD1 4.01Å; P81-Y106 HydrophobicContact CB-CD2 3.98Å; P81-Y106 HydrophobicContact CB-CE1 4.13Å; P81-Y106 HydrophobicContact CB-CE2 4.1Å; P81-Y106 HydrophobicContact CB-CG 3.94Å; P81-Y106 HydrophobicContact CG-CD2 4.07Å; P81-Y106 HydrophobicContact CG-CG 4.13Å; R82-Y106 HydrophobicContact CG-CE2 3.71Å; R82-Y106 WeakPolarHBondContact CG-OH 3.15Å; E102-Y106 WeakPolarHBondContact O-CD2 3.12Å; E102-Y106 PolarHBondContact O-N 2.94Å; Q103-Y106 PolarHBondContact O-N 3.2Å; Q103-Y106 VanDerWaalsContact O-N 3.17Å; Y106-L110 HydrophobicContact CD1-CD2 3.92Å; Y106-L110 HydrophobicContact CE1-CD2 4.41Å
107D92.3Very high94.9Very high81 Ų8156.2 Ų56.243%0.43329%0.289SS..Iπ-helixtrans-75.4-33.7-175.6-73.2-12.3000113Q103 K111Q103-D107 WeakPolarHBondContact CG-OD2 3.25Å; Q103-D107 PolarHBondContact NE2-OD2 3.41Å; Q103-D107 WeakPolarHBondContact O-CB 3.25Å; Q103-D107 PolarHBondContact O-N 3.1Å; D107-K111 WeakPolarHBondContact O-CE 3.45Å; D107-K111 PolarHBondContact O-NZ 3.04Å
108K93.4Very high94.9Very high129 Ų12954.5 Ų54.556%0.56128%0.282SS*.Iπ-helixtrans-123.1-60.3-171.9-60.1-178.3-176.8175.90112.9E104 L110 K111 V112E104-K108 HydrophobicContact CG-CD 4.37Å; E104-K108 PolarHBondContact O-N 3.2Å; E104-K108 VanDerWaalsContact O-N 3.16Å; K108-L110 PolarHBondContact O-N 2.86Å; K108-K111 PolarHBondContact O-N 3.18Å; K108-V112 PolarHBondContact O-N 3.03Å
109Q95.8Very high95Very high26 Ų2652 Ų5212%0.12127%0.267CS..Iπ-helixtrans-66.9-37.6-167-55.9-65.3-52.300112.2F105 K111 V112 L113 A212 K215F105-Q109 HydrophobicContact CD2-CB 3.72Å; F105-Q109 HydrophobicContact CD2-CG 4.41Å; F105-Q109 HydrophobicContact CE2-CB 4.26Å; F105-Q109 HydrophobicContact CG-CB 4.36Å; F105-Q109 CarbonylContact O-C 3.6Å; F105-Q109 WeakPolarHBondContact O-CA 3.47Å; F105-Q109 WeakPolarHBondContact O-CB 3.07Å; F105-Q109 PolarHBondContact O-N 2.77Å; Q109-K111 VanDerWaalsContact C-N 3.29Å; Q109-K111 PolarHBondContact O-N 3.34Å; Q109-V112 WeakPolarHBondContact O-CB 3.42Å; Q109-V112 PolarHBondContact O-N 3.03Å; Q109-V112 VanDerWaalsContact O-N 3.11Å; Q109-L113 WeakPolarHBondContact O-CG 3.29Å; Q109-L113 PolarHBondContact O-N 2.74Å; Q109-A212 HydrophobicContact CB-CB 3.92Å; Q109-A212 VanDerWaalsContact OE1-CA 3.26Å; Q109-K215 HydrophobicContact CG-CD 4.05Å
110L96Very high95Very high18 Ų1854.1 Ų54.19%0.09428%0.28CS..Hα-helixtrans-60.9-39.1177.8-173.459.6000112F30 F105 Y106 K108 V112 L113 L114F30-L110 HydrophobicContact CE2-CD1 4.29Å; F105-L110 HydrophobicContact CE1-CB 4.46Å; F105-L110 HydrophobicContact CE1-CD1 4.34Å; F105-L110 HydrophobicContact CZ-CD1 4.31Å; F105-L110 PolarHBondContact O-N 3.32Å; Y106-L110 HydrophobicContact CD1-CD2 3.92Å; Y106-L110 HydrophobicContact CE1-CD2 4.41Å; K108-L110 PolarHBondContact O-N 2.86Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 3.11Å; L110-L113 PolarHBondContact O-N 3.39Å; L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 3.05Å
111K96.3Very high95.1Very high143 Ų14350 Ų5062%0.62226%0.261SS*.Hα-helixtrans-65.4-37.6175.7-62.8174.8-176.1156.20111.8D107 K108 Q109 L113 G115D107-K111 WeakPolarHBondContact O-CE 3.45Å; D107-K111 PolarHBondContact O-NZ 3.04Å; K108-K111 PolarHBondContact O-N 3.18Å; Q109-K111 VanDerWaalsContact C-N 3.29Å; Q109-K111 PolarHBondContact O-N 3.34Å; K111-L113 VanDerWaalsContact C-N 3.35Å; K111-G115 PolarHBondContact O-N 3.48Å
112V97Very high95.3Very high45 Ų4543.8 Ų43.827%0.27324%0.237SC..Hα-helixtrans-62.1-45.6173.8-179.20000110.2K108 Q109 L110 L114 G115 G116 L208 W209K108-V112 PolarHBondContact O-N 3.03Å; Q109-V112 WeakPolarHBondContact O-CB 3.42Å; Q109-V112 PolarHBondContact O-N 3.03Å; Q109-V112 VanDerWaalsContact O-N 3.11Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 3.11Å; V112-L114 PolarHBondContact O-N 2.92Å; V112-G115 PolarHBondContact O-N 3.18Å; V112-G116 PolarHBondContact O-N 2.86Å; V112-G116 VanDerWaalsContact O-N 3.1Å; V112-L208 HydrophobicContact CG1-CB 4.29Å; V112-W209 HydrophobicContact CG1-CB 4.16Å
113L97.8Very high95.1Very high0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-63.7-40.4-179.8-69.8172.7000113.1F105 Q109 L110 K111 R135 L136 W209 A212 M213 A216F105-L113 HydrophobicContact CE2-CD1 3.9Å; F105-L113 HydrophobicContact CZ-CD1 4.14Å; Q109-L113 WeakPolarHBondContact O-CG 3.29Å; Q109-L113 PolarHBondContact O-N 2.74Å; L110-L113 PolarHBondContact O-N 3.39Å; K111-L113 VanDerWaalsContact C-N 3.35Å; L113-R135 WeakPolarHBondContact O-CA 3.41Å; L113-L136 HydrophobicContact CB-CB 4.32Å; L113-L136 HydrophobicContact CB-CD1 3.77Å; L113-L136 HydrophobicContact CB-CG 3.91Å; L113-L136 HydrophobicContact CD1-CD1 3.75Å; L113-L136 HydrophobicContact CG-CD1 4.26Å; L113-L136 PolarHBondContact O-N 3.25Å; L113-W209 HydrophobicContact CD2-CD2 3.96Å; L113-W209 HydrophobicContact CD2-CE3 4.49Å; L113-W209 HydrophobicContact CD2-CG 4.31Å; L113-W209 HydrophobicContact CD2-CH2 4.47Å; L113-W209 HydrophobicContact CD2-CZ2 3.96Å; L113-W209 PolarHBondContact O-NE1 2.94Å; L113-A212 HydrophobicContact CD1-CB 4.16Å; L113-A212 HydrophobicContact CD2-CB 3.78Å; L113-A212 HydrophobicContact CG-CB 3.72Å; L113-M213 HydrophobicContact CD2-CB 3.94Å; L113-M213 HydrophobicContact CD2-SD 3.85Å; L113-A216 HydrophobicContact CD1-CB 3.94Å
114L97.2Very high94.8Very high52 Ų5243.1 Ų43.127%0.27224%0.242SC..Hα-helixtrans-70.7-36.2175.9-68.6173.5000112.6L110 V112 G116 L136 S137L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 3.05Å; V112-L114 PolarHBondContact O-N 2.92Å; L114-G116 VanDerWaalsContact C-N 3.26Å; L114-G116 PolarHBondContact O-N 2.9Å; L114-L136 HydrophobicContact CD2-CB 4.25Å; L114-L136 WeakPolarHBondContact CD2-O 3.35Å; L114-S137 VanDerWaalsContact CD2-O 3.29Å; L114-S137 WeakPolarHBondContact CD2-O 3.35Å
115G96.5Very high94.1Very high65 Ų6546 Ų4667%0.6727%0.265SS*.Hα-helixtrans-67-28.417700000113.1K111 V112K111-G115 PolarHBondContact O-N 3.48Å; V112-G115 PolarHBondContact O-N 3.18Å
116G96.1Very high93.2Very high9 Ų948.2 Ų48.29%0.09328%0.282CS..  trans84.8172.417600000114.3V112 L114 C134 W209V112-G116 PolarHBondContact O-N 2.86Å; V112-G116 VanDerWaalsContact O-N 3.1Å; L114-G116 VanDerWaalsContact C-N 3.26Å; L114-G116 PolarHBondContact O-N 2.9Å; G116-C134 CarbonylContact C-O 3.47Å; G116-C134 WeakPolarHBondContact CA-O 3.14Å; G116-W209 VanDerWaalsContact C-CD1 3.5Å
117G95.6Very high92.4Very high3 Ų354.7 Ų54.73%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-147.3158.3171.900000110.6F119 C134G117-F119 VanDerWaalsContact O-CD2 3.26Å; G117-F119 WeakPolarHBondContact O-CD2 3.42Å; G117-F119 WeakPolarHBondContact O-CE2 3.44Å; G117-C134 PolarHBondContact N-O 3.45Å; G117-C134 PolarHBondContact O-N 3.29Å
118T96.4Very high92.2Very high60 Ų6059 Ų5937%0.36833%0.334SS..EExtended strand (participates in β ladder)trans-94.4128.7178.6-510000110.2T131 M132 A200T118-T131 HydrophobicContact CG2-CG2 3.58Å; T118-M132 WeakPolarHBondContact CA-O 3.49Å; T118-A200 HydrophobicContact CG2-CB 3.95Å; T118-A200 WeakPolarHBondContact O-CB 3.45Å; T118-A200 PolarHBondContact O-N 3Å
119F97.1Very high92.2Very high0 Ų056.4 Ų56.40%033%0.332CS..EExtended strand (participates in β ladder)trans-136.6151-176.8-62.3-89.5000110.4G117 V121 T131 M132 C134 M197 E198 A206 W209 L210G117-F119 VanDerWaalsContact O-CD2 3.26Å; G117-F119 WeakPolarHBondContact O-CD2 3.42Å; G117-F119 WeakPolarHBondContact O-CE2 3.44Å; F119-V121 HydrophobicContact CB-CG2 4.14Å; F119-T131 CarbonylContact O-C 3.58Å; F119-T131 WeakPolarHBondContact O-CA 3.49Å; F119-M132 PolarHBondContact N-O 3.35Å; F119-M132 PolarHBondContact O-N 2.63Å; F119-C134 HydrophobicContact CD2-CB 3.69Å; F119-C134 HydrophobicContact CE2-CB 4.09Å; F119-M197 HydrophobicContact CB-CB 4.16Å; F119-M197 HydrophobicContact CB-CE 3.96Å; F119-M197 HydrophobicContact CD1-CB 4.15Å; F119-M197 HydrophobicContact CD1-CE 4.06Å; F119-M197 HydrophobicContact CD2-CE 3.38Å; F119-M197 HydrophobicContact CE1-CE 4.42Å; F119-M197 HydrophobicContact CE2-CE 3.79Å; F119-M197 HydrophobicContact CG-CB 4.25Å; F119-M197 HydrophobicContact CG-CE 3.52Å; F119-M197 HydrophobicContact CZ-CE 4.29Å; F119-E198 CarbonylContact C-O 3.56Å; F119-E198 WeakPolarHBondContact CA-O 3.2Å; F119-E198 WeakPolarHBondContact CB-O 3.01Å; F119-A206 HydrophobicContact CD1-CB 4.38Å; F119-A206 HydrophobicContact CE1-CB 3.67Å; F119-A206 HydrophobicContact CZ-CB 3.93Å; F119-W209 HydrophobicContact CE2-CD2 4.03Å; F119-W209 AromaticContact CE2-CE3 3.93Å; F119-W209 HydrophobicContact CE2-CE3 3.93Å; F119-W209 HydrophobicContact CE2-CG 4.3Å; F119-W209 HydrophobicContact CZ-CB 4.16Å; F119-W209 HydrophobicContact CZ-CD2 4.08Å; F119-W209 AromaticContact CZ-CE3 3.72Å; F119-W209 HydrophobicContact CZ-CE3 3.72Å; F119-W209 HydrophobicContact CZ-CG 4.27Å; F119-L210 HydrophobicContact CE1-CD1 4.05Å; F119-L210 HydrophobicContact CE1-CD2 3.85Å; F119-L210 HydrophobicContact CE1-CG 3.77Å; F119-L210 HydrophobicContact CZ-CD2 4.3Å; F119-L210 HydrophobicContact CZ-CG 4.14Å
120V96.3Very high92.2Very high44 Ų4457.3 Ų57.327%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-83.7118.3162-179.70000106.9M197 E198 A200V120-M197 WeakPolarHBondContact O-CA 3.28Å; V120-E198 PolarHBondContact N-O 2.87Å; V120-E198 PolarHBondContact O-N 2.8Å; V120-A200 HydrophobicContact CG2-CB 4.4Å
121V96.6Very high92.2Very high3 Ų360.7 Ų60.72%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-111.4133.1-172.6-178.20000110.1F119 L123 S129 E130 M132 L145 L195 Q196 M197F119-V121 HydrophobicContact CB-CG2 4.14Å; V121-L123 HydrophobicContact CG1-CD2 4.27Å; V121-L123 HydrophobicContact CG1-CG 4.31Å; V121-S129 CarbonylContact O-C 3.46Å; V121-S129 VanDerWaalsContact O-CA 3.27Å; V121-S129 WeakPolarHBondContact O-CA 3.35Å; V121-E130 PolarHBondContact N-O 3.19Å; V121-E130 PolarHBondContact O-N 3.4Å; V121-M132 HydrophobicContact CB-CB 4.49Å; V121-M132 HydrophobicContact CB-CG 4.03Å; V121-M132 HydrophobicContact CB-SD 3.9Å; V121-M132 HydrophobicContact CG1-SD 4.16Å; V121-M132 HydrophobicContact CG2-CB 3.87Å; V121-M132 HydrophobicContact CG2-CG 3.96Å; V121-M132 HydrophobicContact CG2-SD 4.13Å; V121-L145 HydrophobicContact CG2-CD2 4.44Å; V121-L195 HydrophobicContact CG1-CD1 4.39Å; V121-L195 HydrophobicContact CG1-CD2 4.32Å; V121-L195 HydrophobicContact CG1-CG 4.1Å; V121-Q196 CarbonylContact C-O 3.6Å; V121-Q196 VanDerWaalsContact CA-O 3.3Å; V121-Q196 WeakPolarHBondContact CA-O 2.99Å; V121-M197 HydrophobicContact CG2-CG 4.31Å
122T95.4Very high92.2Very high37 Ų3754 Ų5423%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-120.7124.5173-51.10000108.9S126 Q196T122-S126 WeakPolarHBondContact CG2-O 3.41Å; T122-Q196 PolarHBondContact N-O 3.38Å; T122-Q196 PolarHBondContact O-N 3.05Å
123L91.3Very high92.2Very high39 Ų3954.8 Ų54.820%0.20433%0.333CS..EExtended strand (participates in β ladder)trans-104.8131.8-177.1-66.8170.2000111.2V121 S126 F151 L195V121-L123 HydrophobicContact CG1-CD2 4.27Å; V121-L123 HydrophobicContact CG1-CG 4.31Å; L123-S126 WeakPolarHBondContact O-CB 3.3Å; L123-S126 PolarHBondContact O-N 3.1Å; L123-F151 HydrophobicContact CD1-CD1 3.87Å; L123-F151 HydrophobicContact CD1-CD2 3.56Å; L123-F151 HydrophobicContact CD1-CE1 3.68Å; L123-F151 HydrophobicContact CD1-CE2 3.35Å; L123-F151 HydrophobicContact CD1-CG 3.83Å; L123-F151 HydrophobicContact CD1-CZ 3.42Å; L123-F151 VanDerWaalsContact CD1-CZ 3.42Å; L123-L195 HydrophobicContact CD2-CB 4.14Å; L123-L195 HydrophobicContact CD2-CD1 3.5Å; L123-L195 VanDerWaalsContact CD2-CD1 3.5Å; L123-L195 HydrophobicContact CD2-CG 3.75Å
124G85.4Confident92.2Very high26 Ų2654.8 Ų54.827%0.26833%0.333SS..THydrogen-bonded Turntrans60.3-135.1-179.800000112.4Q194G124-Q194 WeakPolarHBondContact CA-O 3.42Å; G124-Q194 PolarHBondContact N-O 3.21Å
125T74.7Confident92.3Very high144 Ų14457.4 Ų57.488%0.88334%0.34SS*.THydrogen-bonded Turntrans-10323174.662.40000111.8
126S76.7Confident92.3Very high54 Ų5454.4 Ų54.438%0.37831%0.308SS..  trans-71.7137.8179.6179.50000110.5T122 L123 K128T122-S126 WeakPolarHBondContact CG2-O 3.41Å; L123-S126 WeakPolarHBondContact O-CB 3.3Å; L123-S126 PolarHBondContact O-N 3.1Å; S126-K128 PolarHBondContact O-N 3.38Å; S126-K128 WeakPolarHBondContact OG-CB 3.46Å; S126-K128 PolarHBondContact OG-N 2.94Å; S126-K128 VanDerWaalsContact OG-N 3.08Å
127D77.6Confident92.3Very high171 Ų17154.2 Ų54.291%0.91431%0.306SS*.SBendtrans-75.8-4169.5-62.2-37.6000112.6
128K87.5Confident92Very high172 Ų17261 Ų6175%0.74834%0.341SS*.  trans-91.2122.4178.6-60.1-174.7179.2-177.40110.5S126S126-K128 PolarHBondContact O-N 3.38Å; S126-K128 WeakPolarHBondContact OG-CB 3.46Å; S126-K128 PolarHBondContact OG-N 2.94Å; S126-K128 VanDerWaalsContact OG-N 3.08Å
129S93.7Very high91.7Very high74 Ų7460.3 Ų60.352%0.51734%0.335SS..EExtended strand (participates in β ladder)trans-107.3144.6169.262.60000110.9V121V121-S129 CarbonylContact O-C 3.46Å; V121-S129 VanDerWaalsContact O-CA 3.27Å; V121-S129 WeakPolarHBondContact O-CA 3.35Å
130E94.6Very high91.5Very high44 Ų4461.5 Ų61.521%0.20634%0.341CS..EExtended strand (participates in β ladder)trans-128.6139.7179.9-171.3-178.4150.900110.3V121 M132 G147 E148 S149V121-E130 PolarHBondContact N-O 3.19Å; V121-E130 PolarHBondContact O-N 3.4Å; E130-M132 HydrophobicContact CB-CG 4.1Å; E130-M132 HydrophobicContact CG-CG 4.02Å; E130-M132 PolarHBondContact O-N 3.29Å; E130-G147 VanDerWaalsContact OE1-CA 3.29Å; E130-G147 WeakPolarHBondContact OE1-CA 3.23Å; E130-E148 WeakPolarHBondContact OE1-CA 3.27Å; E130-E148 PolarHBondContact OE1-N 3.08Å; E130-S149 PolarHBondContact OE1-N 3.01Å; E130-S149 VanDerWaalsContact OE1-N 3.1Å
131T96.4Very high91.3Very high89 Ų8961.9 Ų61.955%0.54634%0.337SS..EExtended strand (participates in β ladder)trans-78.7114.7172.1-610000109.2T118 F119T118-T131 HydrophobicContact CG2-CG2 3.58Å; F119-T131 CarbonylContact O-C 3.58Å; F119-T131 WeakPolarHBondContact O-CA 3.49Å
132M96.9Very high91.3Very high3 Ų364.6 Ų64.62%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-126.2149.9-174.4-50.4-165.685.600112.1T118 F119 V121 E130 L145 D146 S149 F151T118-M132 WeakPolarHBondContact CA-O 3.49Å; F119-M132 PolarHBondContact N-O 3.35Å; F119-M132 PolarHBondContact O-N 2.63Å; V121-M132 HydrophobicContact CB-CB 4.49Å; V121-M132 HydrophobicContact CB-CG 4.03Å; V121-M132 HydrophobicContact CB-SD 3.9Å; V121-M132 HydrophobicContact CG1-SD 4.16Å; V121-M132 HydrophobicContact CG2-CB 3.87Å; V121-M132 HydrophobicContact CG2-CG 3.96Å; V121-M132 HydrophobicContact CG2-SD 4.13Å; E130-M132 HydrophobicContact CB-CG 4.1Å; E130-M132 HydrophobicContact CG-CG 4.02Å; E130-M132 PolarHBondContact O-N 3.29Å; M132-L145 VanDerWaalsContact CE-C 3.48Å; M132-L145 HydrophobicContact CE-CB 3.98Å; M132-L145 WeakPolarHBondContact CE-O 3.35Å; M132-L145 HydrophobicContact SD-CB 3.88Å; M132-D146 CarbonylContact C-O 3.36Å; M132-D146 WeakPolarHBondContact CA-O 3.3Å; M132-S149 WeakPolarHBondContact CE-O 3.29Å; M132-F151 HydrophobicContact CE-CD2 3.84Å; M132-F151 HydrophobicContact CE-CE2 4.28Å; M132-F151 HydrophobicContact SD-CD2 4.31Å
133T97.2Very high91.4Very high61 Ų6162.8 Ų62.837%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-86.6122.3165.6-610000109.4D146T133-D146 PolarHBondContact N-O 2.92Å; T133-D146 PolarHBondContact O-N 2.91Å
134C97.9Very high91.7Very high0 Ų063 Ų630%034%0.336CS..EExtended strand (participates in β ladder)trans-115.1123.4-174.2-52.20000110.3G116 G117 F119 L143 F144 L145 M197 W209G116-C134 CarbonylContact C-O 3.47Å; G116-C134 WeakPolarHBondContact CA-O 3.14Å; G117-C134 PolarHBondContact N-O 3.45Å; G117-C134 PolarHBondContact O-N 3.29Å; F119-C134 HydrophobicContact CD2-CB 3.69Å; F119-C134 HydrophobicContact CE2-CB 4.09Å; C134-L143 HydrophobicContact CB-CD1 4.49Å; C134-F144 VanDerWaalsContact CA-O 3.26Å; C134-F144 WeakPolarHBondContact CA-O 3.41Å; C134-L145 HydrophobicContact CB-CD2 4.04Å; C134-L145 WeakPolarHBondContact SG-CD2 3.48Å; C134-M197 HydrophobicContact CB-CE 3.37Å; C134-M197 WeakPolarHBondContact SG-CE 3.42Å; C134-W209 PolarHBondContact O-NE1 2.8Å
135R98Very high92.2Very high107 Ų10761.7 Ų61.740%0.40432%0.323SS..EExtended strand (participates in β ladder)trans-151156.8-176.163.1-177.7168.1171-2.9112.6L113 F144 D146L113-R135 WeakPolarHBondContact O-CA 3.41Å; R135-F144 HydrophobicContact CG-CB 4.16Å; R135-F144 PolarHBondContact N-O 3.4Å; R135-F144 PolarHBondContact O-N 3.48Å; R135-D146 IonicContact CZ-OD2 2.74Å; R135-D146 IonicContact NE-OD2 2.92Å; R135-D146 PolarHBondContact NE-OD2 2.68Å; R135-D146 IonicContact NH2-OD2 3.96Å; R135-D146 PolarHBondContact NH2-OD2 3.36Å
136L97.6Very high93.3Very high3 Ų356.8 Ų56.82%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-78.1146.8168.4-70-170.4000111.6F30 L113 L114 Y142 L143 L155 M213F30-L136 HydrophobicContact CE2-CD1 4.27Å; F30-L136 HydrophobicContact CZ-CD1 4.02Å; L113-L136 HydrophobicContact CB-CB 4.32Å; L113-L136 HydrophobicContact CB-CD1 3.77Å; L113-L136 HydrophobicContact CB-CG 3.91Å; L113-L136 HydrophobicContact CD1-CD1 3.75Å; L113-L136 HydrophobicContact CG-CD1 4.26Å; L113-L136 PolarHBondContact O-N 3.25Å; L114-L136 HydrophobicContact CD2-CB 4.25Å; L114-L136 WeakPolarHBondContact CD2-O 3.35Å; L136-Y142 CarbonylContact C-O 3.56Å; L136-Y142 WeakPolarHBondContact CA-O 3.14Å; L136-L143 HydrophobicContact CD2-CB 4.33Å; L136-L143 HydrophobicContact CD2-CD1 4.4Å; L136-L155 HydrophobicContact CD1-CD1 4.38Å; L136-L155 HydrophobicContact CD2-CD1 3.79Å; L136-L155 HydrophobicContact CD2-CD2 3.94Å; L136-L155 HydrophobicContact CD2-CG 4.27Å; L136-M213 HydrophobicContact CD2-CE 4.28Å; L136-M213 HydrophobicContact CD2-SD 4.33Å
137S95.3Very high94.1Very high5 Ų556.3 Ų56.34%0.03530%0.295CS..  trans-65.6157.7168.368.60000111.5L114 N139 H140 R141 Y142 F144L114-S137 VanDerWaalsContact CD2-O 3.29Å; L114-S137 WeakPolarHBondContact CD2-O 3.35Å; S137-N139 PolarHBondContact O-N 2.97Å; S137-N139 PolarHBondContact OG-OD1 3.2Å; S137-H140 VanDerWaalsContact O-CA 3.28Å; S137-H140 WeakPolarHBondContact O-CA 3.36Å; S137-H140 PolarHBondContact O-CD2 3.45Å; S137-H140 PolarHBondContact O-N 3.47Å; S137-H140 PolarHBondContact OG-N 3.39Å; S137-R141 PolarHBondContact OG-N 3.44Å; S137-Y142 PolarHBondContact N-O 3.32Å; S137-Y142 PolarHBondContact OG-N 2.84Å; S137-Y142 PolarHBondContact OG-O 3.23Å; S137-F144 VanDerWaalsContact CB-CE2 3.46Å
138N90.3Very high94.8Very high146 Ų14657.2 Ų57.278%0.78129%0.293SS*.THydrogen-bonded Turntrans-62.4-25.8-178.6-70.4-27.2000114.5H140N138-H140 VanDerWaalsContact C-N 3.32Å; N138-H140 PolarHBondContact O-NE2 3.24Å
139N88.6Confident95Very high44 Ų4451.7 Ų51.724%0.23528%0.276CS..THydrogen-bonded Turntrans-92.72.7172.863.92.6000112.6S137 R141S137-N139 PolarHBondContact O-N 2.97Å; S137-N139 PolarHBondContact OG-OD1 3.2Å; N139-R141 HydrophobicContact CB-CG 4.49Å; N139-R141 PolarHBondContact O-N 2.86Å; N139-R141 WeakPolarHBondContact OD1-CB 3.34Å; N139-R141 PolarHBondContact OD1-N 2.98Å
140H93.4Very high95Very high25 Ų2553 Ų5312%0.11627%0.274CS..SBendtrans59.720.6179.9-34.9131.4000114.7S28 P29 F30 S137 N138 L155S28-H140 PolarHBondContact OG-ND1 3.44Å; P29-H140 WeakPolarHBondContact CD-O 3.43Å; P29-H140 WeakPolarHBondContact CG-O 3.31Å; F30-H140 HydrophobicContact CD2-CB 3.96Å; F30-H140 HydrophobicContact CE2-CB 3.49Å; F30-H140 VanDerWaalsContact CE2-CB 3.49Å; F30-H140 AromaticContact CE2-CG 3.9Å; F30-H140 HydrophobicContact CZ-CB 4.39Å; S137-H140 VanDerWaalsContact O-CA 3.28Å; S137-H140 WeakPolarHBondContact O-CA 3.36Å; S137-H140 PolarHBondContact O-CD2 3.45Å; S137-H140 PolarHBondContact O-N 3.47Å; S137-H140 PolarHBondContact OG-N 3.39Å; N138-H140 VanDerWaalsContact C-N 3.32Å; N138-H140 PolarHBondContact O-NE2 3.24Å; H140-L155 WeakPolarHBondContact O-CD1 3.46Å
141R93.3Very high94.9Very high52 Ų5254.7 Ų54.720%0.19628%0.281CS..  trans-85.2-27.4-179.3-71.4-169.859.8-147.1-10.9113.3A25 S137 N139 E154 L155A25-R141 VanDerWaalsContact O-CD 3.23Å; A25-R141 WeakPolarHBondContact O-CD 2.96Å; A25-R141 VanDerWaalsContact O-CZ 3.23Å; A25-R141 PolarHBondContact O-NE 3.16Å; A25-R141 PolarHBondContact O-NH1 3.17Å; S137-R141 PolarHBondContact OG-N 3.44Å; N139-R141 HydrophobicContact CB-CG 4.49Å; N139-R141 PolarHBondContact O-N 2.86Å; N139-R141 WeakPolarHBondContact OD1-CB 3.34Å; N139-R141 PolarHBondContact OD1-N 2.98Å; R141-E154 IonicContact CZ-OE1 3.98Å; R141-E154 IonicContact NE-OE1 2.9Å; R141-E154 IonicContact NH2-OE1 3.85Å; R141-E154 PolarHBondContact NH2-OE1 3.31Å; R141-E154 WeakPolarHBondContact O-CA 3.36Å; R141-L155 PolarHBondContact O-N 3.49Å
142Y95.8Very high94.8Very high60 Ų6055.4 Ų55.424%0.23528%0.278CS..EExtended strand (participates in β ladder)trans-126.5144.4-173.6-58.4-83.9000110.7L136 S137 F144 E152 V153 E154L136-Y142 CarbonylContact C-O 3.56Å; L136-Y142 WeakPolarHBondContact CA-O 3.14Å; S137-Y142 PolarHBondContact N-O 3.32Å; S137-Y142 PolarHBondContact OG-N 2.84Å; S137-Y142 PolarHBondContact OG-O 3.23Å; Y142-F144 VanDerWaalsContact CB-CE1 3.45Å; Y142-F144 HydrophobicContact CD2-CE1 4.42Å; Y142-F144 HydrophobicContact CG-CE1 4.09Å; Y142-E152 HydrophobicContact CD1-CB 4.42Å; Y142-V153 CarbonylContact C-O 3.57Å; Y142-V153 WeakPolarHBondContact CA-O 3.34Å; Y142-E154 HydrophobicContact CD1-CB 3.89Å; Y142-E154 HydrophobicContact CD1-CG 4.14Å; Y142-E154 HydrophobicContact CE1-CB 3.75Å; Y142-E154 HydrophobicContact CE1-CG 3.77Å
143L97.4Very high94.7Very high0 Ų055.4 Ų55.40%028%0.278CS..EExtended strand (participates in β ladder)trans-91.7115.7157.9173.763.2000107.2C134 L136 L145 V153 L155 L182 M197 W209C134-L143 HydrophobicContact CB-CD1 4.49Å; L136-L143 HydrophobicContact CD2-CB 4.33Å; L136-L143 HydrophobicContact CD2-CD1 4.4Å; L143-L145 HydrophobicContact CD2-CD2 4.38Å; L143-L145 HydrophobicContact CG-CD2 4.3Å; L143-V153 HydrophobicContact CB-CB 4.33Å; L143-V153 PolarHBondContact N-O 3.38Å; L143-V153 PolarHBondContact O-N 3.28Å; L143-L155 HydrophobicContact CB-CD2 4.07Å; L143-L182 HydrophobicContact CD2-CD1 3.67Å; L143-M197 HydrophobicContact CD2-SD 4.45Å; L143-W209 HydrophobicContact CD1-CH2 3.6Å; L143-W209 HydrophobicContact CD1-CZ2 3.65Å
144F97.4Very high94.6Very high42 Ų4254.1 Ų54.118%0.18427%0.268CS..EExtended strand (participates in β ladder)trans-91.1138.4174.3-61.1-33.3000110.1C134 R135 S137 Y142 E152C134-F144 VanDerWaalsContact CA-O 3.26Å; C134-F144 WeakPolarHBondContact CA-O 3.41Å; R135-F144 HydrophobicContact CG-CB 4.16Å; R135-F144 PolarHBondContact N-O 3.4Å; R135-F144 PolarHBondContact O-N 3.48Å; S137-F144 VanDerWaalsContact CB-CE2 3.46Å; Y142-F144 VanDerWaalsContact CB-CE1 3.45Å; Y142-F144 HydrophobicContact CD2-CE1 4.42Å; Y142-F144 HydrophobicContact CG-CE1 4.09Å; F144-E152 HydrophobicContact CD1-CB 4.29Å; F144-E152 HydrophobicContact CD1-CG 3.83Å; F144-E152 HydrophobicContact CE1-CB 4.45Å; F144-E152 HydrophobicContact CE1-CG 3.92Å; F144-E152 VanDerWaalsContact CE1-OE1 3.25Å; F144-E152 WeakPolarHBondContact CE1-OE1 3.39Å
145L96.7Very high94.4Very high0 Ų054.1 Ų54.10%027%0.268CS..EExtended strand (participates in β ladder)trans-126.8102.3178.7-53.1152.8000105.9V121 M132 C134 L143 F151 V153 L195V121-L145 HydrophobicContact CG2-CD2 4.44Å; M132-L145 VanDerWaalsContact CE-C 3.48Å; M132-L145 HydrophobicContact CE-CB 3.98Å; M132-L145 WeakPolarHBondContact CE-O 3.35Å; M132-L145 HydrophobicContact SD-CB 3.88Å; C134-L145 HydrophobicContact CB-CD2 4.04Å; C134-L145 WeakPolarHBondContact SG-CD2 3.48Å; L143-L145 HydrophobicContact CD2-CD2 4.38Å; L143-L145 HydrophobicContact CG-CD2 4.3Å; L145-F151 HydrophobicContact CB-CB 4.16Å; L145-F151 HydrophobicContact CD1-CB 3.85Å; L145-F151 PolarHBondContact N-O 3.08Å; L145-F151 PolarHBondContact O-N 3.38Å; L145-V153 HydrophobicContact CD1-CG2 4.11Å; L145-L195 HydrophobicContact CD1-CD1 3.34Å; L145-L195 HydrophobicContact CD2-CD1 4.27Å; L145-L195 HydrophobicContact CG-CD1 4.43Å
146D96.7Very high94.1Very high41 Ų4151.9 Ų51.922%0.21927%0.269CS..EExtended strand (participates in β ladder)trans-110.8114.7-170.8-69.1-46.7000110M132 T133 R135 H150M132-D146 CarbonylContact C-O 3.36Å; M132-D146 WeakPolarHBondContact CA-O 3.3Å; T133-D146 PolarHBondContact N-O 2.92Å; T133-D146 PolarHBondContact O-N 2.91Å; R135-D146 IonicContact CZ-OD2 2.74Å; R135-D146 IonicContact NE-OD2 2.92Å; R135-D146 PolarHBondContact NE-OD2 2.68Å; R135-D146 IonicContact NH2-OD2 3.96Å; R135-D146 PolarHBondContact NH2-OD2 3.36Å; D146-H150 IonicContact OD1-CE1 3.34Å; D146-H150 PolarHBondContact OD1-CE1 2.99Å; D146-H150 VanDerWaalsContact OD1-CE1 3.26Å; D146-H150 IonicContact OD1-CG 3.77Å; D146-H150 IonicContact OD1-ND1 3.91Å; D146-H150 PolarHBondContact OD1-ND1 2.78Å
147G93.7Very high93.8Very high43 Ų4355.4 Ų55.444%0.44328%0.282SS..SBendtrans-143.9-135.9176.400000111.6E130 S149E130-G147 VanDerWaalsContact OE1-CA 3.29Å; E130-G147 WeakPolarHBondContact OE1-CA 3.23Å; G147-S149 PolarHBondContact N-O 3.18Å
148E92.7Very high93.7Very high191 Ų19155.6 Ų55.689%0.89328%0.282SS*.SBendtrans-63.2-36.2161.1-63.5-173176.700110.9E130E130-E148 WeakPolarHBondContact OE1-CA 3.27Å; E130-E148 PolarHBondContact OE1-N 3.08Å
149S91.1Very high93.8Very high55 Ų5552 Ų5239%0.38527%0.269SS..SBendtrans-105.3158.5172.5-62.30000111.5E130 M132 G147E130-S149 PolarHBondContact OE1-N 3.01Å; E130-S149 VanDerWaalsContact OE1-N 3.1Å; M132-S149 WeakPolarHBondContact CE-O 3.29Å; G147-S149 PolarHBondContact N-O 3.18Å
150H93.1Very high94Very high102 Ų10252.5 Ų52.547%0.47228%0.275SS..EExtended strand (participates in β ladder)trans-115.2123.5173.6178.973.9000110D146 E152D146-H150 IonicContact OD1-CE1 3.34Å; D146-H150 PolarHBondContact OD1-CE1 2.99Å; D146-H150 VanDerWaalsContact OD1-CE1 3.26Å; D146-H150 IonicContact OD1-CG 3.77Å; D146-H150 IonicContact OD1-ND1 3.91Å; D146-H150 PolarHBondContact OD1-ND1 2.78Å; H150-E152 WeakPolarHBondContact NE2-CG 3.48Å; H150-E152 IonicContact NE2-OE1 3.63Å; H150-E152 PolarHBondContact NE2-OE1 3.43Å
151F93.6Very high94.1Very high80 Ų8053 Ų5335%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-126.5144.7174.9-58.2-85.9000111.3L123 M132 L145L123-F151 HydrophobicContact CD1-CD1 3.87Å; L123-F151 HydrophobicContact CD1-CD2 3.56Å; L123-F151 HydrophobicContact CD1-CE1 3.68Å; L123-F151 HydrophobicContact CD1-CE2 3.35Å; L123-F151 HydrophobicContact CD1-CG 3.83Å; L123-F151 HydrophobicContact CD1-CZ 3.42Å; L123-F151 VanDerWaalsContact CD1-CZ 3.42Å; M132-F151 HydrophobicContact CE-CD2 3.84Å; M132-F151 HydrophobicContact CE-CE2 4.28Å; M132-F151 HydrophobicContact SD-CD2 4.31Å; L145-F151 HydrophobicContact CB-CB 4.16Å; L145-F151 HydrophobicContact CD1-CB 3.85Å; L145-F151 PolarHBondContact N-O 3.08Å; L145-F151 PolarHBondContact O-N 3.38Å
152E94.8Very high94.1Very high104 Ų10456.1 Ų56.149%0.48630%0.295SS..EExtended strand (participates in β ladder)trans-124.6127.3177.6-52.8-172.9142.100110Y142 F144 H150Y142-E152 HydrophobicContact CD1-CB 4.42Å; F144-E152 HydrophobicContact CD1-CB 4.29Å; F144-E152 HydrophobicContact CD1-CG 3.83Å; F144-E152 HydrophobicContact CE1-CB 4.45Å; F144-E152 HydrophobicContact CE1-CG 3.92Å; F144-E152 VanDerWaalsContact CE1-OE1 3.25Å; F144-E152 WeakPolarHBondContact CE1-OE1 3.39Å; H150-E152 WeakPolarHBondContact NE2-CG 3.48Å; H150-E152 IonicContact NE2-OE1 3.63Å; H150-E152 PolarHBondContact NE2-OE1 3.43Å
153V94.8Very high94Very high3 Ų355.3 Ų55.32%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-113.8113.9173.1-179.50000108.9Y142 L143 L145 L155 I158 Y184 L195Y142-V153 CarbonylContact C-O 3.57Å; Y142-V153 WeakPolarHBondContact CA-O 3.34Å; L143-V153 HydrophobicContact CB-CB 4.33Å; L143-V153 PolarHBondContact N-O 3.38Å; L143-V153 PolarHBondContact O-N 3.28Å; L145-V153 HydrophobicContact CD1-CG2 4.11Å; V153-L155 PolarHBondContact O-N 2.68Å; V153-I158 HydrophobicContact CG1-CD1 4.18Å; V153-I158 HydrophobicContact CG1-CG1 3.86Å; V153-Y184 HydrophobicContact CG1-CD1 4.32Å; V153-Y184 HydrophobicContact CG1-CD2 3.81Å; V153-Y184 HydrophobicContact CG1-CE2 4.43Å; V153-Y184 HydrophobicContact CG1-CG 3.75Å; V153-Y184 HydrophobicContact CG2-CD2 4.31Å; V153-Y184 HydrophobicContact CG2-CE1 4.37Å; V153-Y184 HydrophobicContact CG2-CE2 4.1Å; V153-L195 HydrophobicContact CG2-CD1 4.14Å
154E94.1Very high93.8Very high33 Ų3357.4 Ų57.415%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-68.2123.3174.6-164.7-176.7-170.700110.3R141 Y142 S156 R157R141-E154 IonicContact CZ-OE1 3.98Å; R141-E154 IonicContact NE-OE1 2.9Å; R141-E154 IonicContact NH2-OE1 3.85Å; R141-E154 PolarHBondContact NH2-OE1 3.31Å; R141-E154 WeakPolarHBondContact O-CA 3.36Å; Y142-E154 HydrophobicContact CD1-CB 3.89Å; Y142-E154 HydrophobicContact CD1-CG 4.14Å; Y142-E154 HydrophobicContact CE1-CB 3.75Å; Y142-E154 HydrophobicContact CE1-CG 3.77Å; E154-S156 VanDerWaalsContact CG-OG 3.28Å; E154-S156 WeakPolarHBondContact CG-OG 3.46Å; E154-S156 PolarHBondContact O-N 3.45Å; E154-S156 PolarHBondContact OE1-OG 3.24Å; E154-S156 PolarHBondContact OE2-OG 3.45Å; E154-R157 HydrophobicContact CB-CG 4.06Å; E154-R157 PolarHBondContact O-N 2.96Å; E154-R157 WeakPolarHBondContact OE2-CD 3.38Å
155L94.4Very high93.4Very high0 Ų058.9 Ų58.90%032%0.318CS..G310 helixtrans-61.2-30.4-175.6-64.4-167.7000112.8P29 F30 L136 H140 R141 L143 V153 R157 I158 M213 L220 R224P29-L155 HydrophobicContact CG-CB 4.21Å; P29-L155 HydrophobicContact CG-CD1 4.16Å; F30-L155 HydrophobicContact CZ-CD1 4.08Å; L136-L155 HydrophobicContact CD1-CD1 4.38Å; L136-L155 HydrophobicContact CD2-CD1 3.79Å; L136-L155 HydrophobicContact CD2-CD2 3.94Å; L136-L155 HydrophobicContact CD2-CG 4.27Å; H140-L155 WeakPolarHBondContact O-CD1 3.46Å; R141-L155 PolarHBondContact O-N 3.49Å; L143-L155 HydrophobicContact CB-CD2 4.07Å; V153-L155 PolarHBondContact O-N 2.68Å; L155-R157 PolarHBondContact O-N 3.41Å; L155-I158 HydrophobicContact CD2-CD1 3.64Å; L155-I158 PolarHBondContact O-N 3.25Å; L155-M213 HydrophobicContact CD2-CE 3.77Å; L155-L220 HydrophobicContact CB-CD1 4.18Å; L155-L220 HydrophobicContact CB-CD2 4.46Å; L155-L220 HydrophobicContact CD1-CD1 4.26Å; L155-R224 PolarHBondContact O-NH2 3.43Å
156S91.1Very high92.5Very high60 Ų6063.3 Ų63.342%0.4234%0.342SS..G310 helixtrans-64.4-22.4175.962.70000112.7E154 R224E154-S156 VanDerWaalsContact CG-OG 3.28Å; E154-S156 WeakPolarHBondContact CG-OG 3.46Å; E154-S156 PolarHBondContact O-N 3.45Å; E154-S156 PolarHBondContact OE1-OG 3.24Å; E154-S156 PolarHBondContact OE2-OG 3.45Å; S156-R224 PolarHBondContact O-NH2 3.37Å; S156-R224 VanDerWaalsContact O-NH2 3.08Å
157R92.2Very high90.8Very high78 Ų7864.8 Ų64.829%0.29437%0.366SS..G310 helixtrans-97.1-3.1-178.5-53.9-175.987.393-1.1113.8E154 L155 S159 Y184 K185 P186 M187E154-R157 HydrophobicContact CB-CG 4.06Å; E154-R157 PolarHBondContact O-N 2.96Å; E154-R157 WeakPolarHBondContact OE2-CD 3.38Å; L155-R157 PolarHBondContact O-N 3.41Å; R157-S159 PolarHBondContact O-N 3.04Å; R157-Y184 VanDerWaalsContact O-CA 3.32Å; R157-Y184 WeakPolarHBondContact O-CA 3.5Å; R157-K185 WeakPolarHBondContact CB-O 3.19Å; R157-K185 VanDerWaalsContact CD-O 3.29Å; R157-K185 WeakPolarHBondContact CD-O 3.41Å; R157-K185 PolarHBondContact NE-O 3.24Å; R157-K185 PolarHBondContact O-N 3.45Å; R157-P186 PolarHBondContact NH2-O 3.36Å; R157-M187 PolarHBondContact NH1-SD 2.92Å
158I93.7Very high88.7Confident9 Ų969.1 Ų69.15%0.04638%0.384CS..EExtended strand (participates in β ladder)trans-71.8120.8171.8-61176.3000108.6V153 L155 S160 L182 H183 R224V153-I158 HydrophobicContact CG1-CD1 4.18Å; V153-I158 HydrophobicContact CG1-CG1 3.86Å; L155-I158 HydrophobicContact CD2-CD1 3.64Å; L155-I158 PolarHBondContact O-N 3.25Å; I158-S160 WeakPolarHBondContact CG2-O 3.28Å; I158-L182 HydrophobicContact CD1-CD1 4.36Å; I158-H183 CarbonylContact C-O 3.51Å; I158-R224 VanDerWaalsContact O-CZ 3.27Å; I158-R224 PolarHBondContact O-NH1 2.77Å; I158-R224 PolarHBondContact O-NH2 3.36Å
159S92.3Very high86.6Confident71 Ų7164.2 Ų64.250%0.49737%0.371SS..EExtended strand (participates in β ladder)trans-90.2-37.8179.360.20000112.6R157 H183R157-S159 PolarHBondContact O-N 3.04Å; S159-H183 PolarHBondContact N-O 2.98Å; S159-H183 WeakPolarHBondContact OG-CB 3.42Å; S159-H183 PolarHBondContact OG-O 3.37Å
160S92.9Very high84.9Confident53 Ų5368.5 Ų68.537%0.37140%0.397SS..EExtended strand (participates in β ladder)trans-147.5152176.362.80000111.6I158 H183I158-S160 WeakPolarHBondContact CG2-O 3.28Å; S160-H183 PolarHBondContact N-O 3.27Å; S160-H183 PolarHBondContact O-N 3.01Å; S160-H183 WeakPolarHBondContact OG-CB 3.25Å; S160-H183 PolarHBondContact OG-ND1 2.91Å; S160-H183 VanDerWaalsContact OG-ND1 3.16Å
161M94.6Very high83Confident35 Ų3566.6 Ų66.617%0.17241%0.406CS..EExtended strand (participates in β ladder)trans-137127.1174.1176.4-176.5-56.300109.3M180 L181 L182 M213 A217M161-M180 HydrophobicContact CE-SD 3.99Å; M161-M180 HydrophobicContact CG-CG 3.84Å; M161-M180 HydrophobicContact CG-SD 3.56Å; M161-M180 VanDerWaalsContact CG-SD 3.56Å; M161-M180 HydrophobicContact SD-CG 4.5Å; M161-M180 HydrophobicContact SD-SD 3.46Å; M161-L181 CarbonylContact C-O 3.59Å; M161-L181 WeakPolarHBondContact CA-O 3.28Å; M161-L182 HydrophobicContact CB-CD2 3.74Å; M161-L182 HydrophobicContact CE-CD2 3.63Å; M161-L182 HydrophobicContact CG-CD2 3.51Å; M161-L182 HydrophobicContact SD-CD2 4.25Å; M161-M213 HydrophobicContact CE-CE 3.42Å; M161-M213 VanDerWaalsContact CE-CE 3.42Å; M161-M213 HydrophobicContact CE-CG 3.55Å; M161-M213 HydrophobicContact CE-SD 4.3Å; M161-M213 HydrophobicContact SD-CB 4.38Å; M161-M213 HydrophobicContact SD-CG 3.77Å; M161-A217 HydrophobicContact CB-CB 4.22Å; M161-A217 HydrophobicContact CE-CB 3.84Å; M161-A217 HydrophobicContact CG-CB 4.43Å; M161-A217 HydrophobicContact SD-CB 3.53Å; M161-A217 VanDerWaalsContact SD-CB 3.53Å
162Q93.9Very high80.8Confident119 Ų11967 Ų6756%0.55643%0.433SS*.EExtended strand (participates in β ladder)trans-125130.7178.8-178.9176.6-3.600109.6M180 L181Q162-M180 CarbonylContact O-C 3.2Å; Q162-M180 VanDerWaalsContact O-CA 3.26Å; Q162-M180 WeakPolarHBondContact O-CA 3.46Å; Q162-L181 HydrophobicContact CB-CB 4.35Å; Q162-L181 PolarHBondContact N-O 3.12Å; Q162-L181 PolarHBondContact O-N 3.23Å
163I93.5Very high78.7Confident42 Ų4264.6 Ų64.622%0.21544%0.435CS..EExtended strand (participates in β ladder)trans-82.9132.6172.6-61.5-58.8000109.1T165 A177 M180 L210 H214I163-T165 HydrophobicContact CG2-CG2 4.33Å; I163-A177 HydrophobicContact CG2-CB 3.56Å; I163-M180 HydrophobicContact CD1-CB 4.25Å; I163-M180 HydrophobicContact CD1-CG 4.22Å; I163-M180 HydrophobicContact CD1-SD 4.31Å; I163-L210 HydrophobicContact CD1-CB 4.41Å; I163-H214 HydrophobicContact CD1-CB 3.97Å; I163-H214 HydrophobicContact CG1-CB 3.8Å
164L92.3Very high76.8Confident45 Ų4571.2 Ų71.224%0.23648%0.476CS..EExtended strand (participates in β ladder)trans-94.1137.7171.6-51.3177.2000108.3A177 S178 G179 Q196L164-A177 WeakPolarHBondContact O-CA 3.34Å; L164-S178 PolarHBondContact O-N 3.04Å; L164-S178 PolarHBondContact O-OG 3.38Å; L164-G179 PolarHBondContact N-O 3.1Å; L164-G179 PolarHBondContact O-N 2.85Å; L164-G179 VanDerWaalsContact O-N 3.14Å; L164-Q196 HydrophobicContact CD1-CG 4.26Å
165T88.6Confident75.5Confident72 Ų7273.5 Ų73.544%0.44250%0.496SS..EExtended strand (participates in β ladder)trans-127.3140.4-179.355.50000110I163I163-T165 HydrophobicContact CG2-CG2 4.33Å
166D78.8Confident74.7Confident94 Ų9479.4 Ų79.450%0.50352%0.518SS..  trans-66.6136171.5-66-20.8000109.5S178D166-S178 PolarHBondContact N-OG 3.23Å; D166-S178 VanDerWaalsContact N-OG 3.12Å; D166-S178 WeakPolarHBondContact OD1-CB 3.26Å; D166-S178 PolarHBondContact OD1-OG 3.03Å; D166-S178 WeakPolarHBondContact OD2-CB 3.42Å
167G60.7Low74.6Confident72 Ų7277.3 Ų77.374%0.74251%0.505SS*.  trans-53.9150.1-175.500000113.9S169G167-S169 PolarHBondContact O-N 3.08Å
168T50.5Low74.6Confident134 Ų13474.7 Ų74.782%0.82250%0.498SS*.  trans-44.9119.1-174-16.50000113.8
169S48.8Very low74.7Confident88 Ų8874.3 Ų74.362%0.61550%0.497SS*.  trans-63.6139156.8-103.40000108.8G167 G171G167-S169 PolarHBondContact O-N 3.08Å; S169-G171 PolarHBondContact O-N 2.94Å
170P53.7Low74.8Confident144 Ų14471 Ų7194%0.93547%0.473SS*.SBendtrans-64.69.2-175.7-2032.3000116
171G53.5Low75Confident63 Ų6369.5 Ų69.565%0.64946%0.461SS*.SBendtrans-140.474.2-176.200000112S169 G173S169-G171 PolarHBondContact O-N 2.94Å; G171-G173 PolarHBondContact O-N 3.23Å
172G47.3Very low75Confident89 Ų8967.9 Ų67.992%0.91845%0.453SS*.  trans557.5154.900000119.7
173G51Low75.1Confident52 Ų5265.3 Ų65.354%0.53644%0.441SS..PPolyproline II helixtrans-73.7144.4179.600000111.9G171 S175G171-G173 PolarHBondContact O-N 3.23Å; G173-S175 PolarHBondContact O-N 3.34Å
174T56.3Low75.1Confident143 Ų14364.3 Ų64.388%0.87743%0.434SS*.PPolyproline II helixtrans-59123173.844.30000110.3R176T174-R176 PolarHBondContact O-N 3.1Å
175S65.9Low75.1Confident81 Ų8166.5 Ų66.557%0.56644%0.442SS*.PPolyproline II helixtrans-59.3119175.655.40000109.7G173G173-S175 PolarHBondContact O-N 3.34Å
176R78.3Confident75.2Confident123 Ų12364.2 Ų64.246%0.46443%0.428SS..PPolyproline II helixtrans-82.9133.4-178.6-169.9175.4178.9172.2-5.5109.6T174 S178 K203 K204 S207T174-R176 PolarHBondContact O-N 3.1Å; R176-S178 PolarHBondContact O-N 3.11Å; R176-K203 PolarHBondContact NH2-O 2.96Å; R176-K204 VanDerWaalsContact NH2-N 3.2Å; R176-S207 VanDerWaalsContact CG-OG 3.31Å; R176-S207 WeakPolarHBondContact CG-OG 3.22Å; R176-S207 PolarHBondContact NE-OG 2.53Å
177A88.1Confident75.4Confident17 Ų1766.1 Ų66.114%0.1444%0.436CS..EExtended strand (participates in β ladder)trans-61120.5171.600000109.4I163 L164 L210I163-A177 HydrophobicContact CG2-CB 3.56Å; L164-A177 WeakPolarHBondContact O-CA 3.34Å; A177-L210 HydrophobicContact CB-CB 3.91Å; A177-L210 HydrophobicContact CB-CD1 4.05Å
178S92.2Very high76.4Confident23 Ų2366.8 Ų66.816%0.16144%0.443CS..EExtended strand (participates in β ladder)trans-111.6-17.7-179.556.40000112.8L164 D166 R176 A199L164-S178 PolarHBondContact O-N 3.04Å; L164-S178 PolarHBondContact O-OG 3.38Å; D166-S178 PolarHBondContact N-OG 3.23Å; D166-S178 VanDerWaalsContact N-OG 3.12Å; D166-S178 WeakPolarHBondContact OD1-CB 3.26Å; D166-S178 PolarHBondContact OD1-OG 3.03Å; D166-S178 WeakPolarHBondContact OD2-CB 3.42Å; R176-S178 PolarHBondContact O-N 3.11Å; S178-A199 WeakPolarHBondContact O-CB 3.31Å; S178-A199 PolarHBondContact O-N 3.25Å
179G94.9Very high78.1Confident1 Ų162 Ų621%0.0142%0.415CS..EExtended strand (participates in β ladder)trans-163.5-173.2174.800000113.6L164 M197L164-G179 PolarHBondContact N-O 3.1Å; L164-G179 PolarHBondContact O-N 2.85Å; L164-G179 VanDerWaalsContact O-N 3.14Å; G179-M197 CarbonylContact C-O 3.57Å; G179-M197 WeakPolarHBondContact CA-O 3.32Å
180M95.7Very high79.5Confident0 Ų065.2 Ų65.20%042%0.42CS..EExtended strand (participates in β ladder)trans-149.8142.1177.1177.8174.968.100110.7M161 Q162 I163 L182 M197 W209 L210 M213M161-M180 HydrophobicContact CE-SD 3.99Å; M161-M180 HydrophobicContact CG-CG 3.84Å; M161-M180 HydrophobicContact CG-SD 3.56Å; M161-M180 VanDerWaalsContact CG-SD 3.56Å; M161-M180 HydrophobicContact SD-CG 4.5Å; M161-M180 HydrophobicContact SD-SD 3.46Å; Q162-M180 CarbonylContact O-C 3.2Å; Q162-M180 VanDerWaalsContact O-CA 3.26Å; Q162-M180 WeakPolarHBondContact O-CA 3.46Å; I163-M180 HydrophobicContact CD1-CB 4.25Å; I163-M180 HydrophobicContact CD1-CG 4.22Å; I163-M180 HydrophobicContact CD1-SD 4.31Å; M180-L182 HydrophobicContact CE-CD1 3.87Å; M180-L182 HydrophobicContact CE-CD2 3.82Å; M180-L182 HydrophobicContact CE-CG 3.91Å; M180-L182 HydrophobicContact CG-CD2 3.83Å; M180-L182 HydrophobicContact CG-CG 4.26Å; M180-L182 HydrophobicContact SD-CD2 3.68Å; M180-L182 HydrophobicContact SD-CG 4.37Å; M180-M197 HydrophobicContact CE-CE 4.41Å; M180-M197 HydrophobicContact CE-SD 3.37Å; M180-M197 WeakPolarHBondContact CE-SD 3.38Å; M180-M197 PolarHBondContact N-O 2.94Å; M180-M197 PolarHBondContact O-N 2.9Å; M180-W209 HydrophobicContact CE-CH2 4.28Å; M180-W209 HydrophobicContact CE-CZ3 3.75Å; M180-L210 HydrophobicContact CB-CD2 3.53Å; M180-M213 HydrophobicContact CE-CG 4.05Å; M180-M213 HydrophobicContact SD-CB 4.18Å; M180-M213 HydrophobicContact SD-CG 3.77Å
181L95.9Very high81.1Confident23 Ų2364.2 Ų64.212%0.1241%0.407CS..EExtended strand (participates in β ladder)trans-112.1127171.2-162.971.2000110.2M161 Q162 Q194 Q196M161-L181 CarbonylContact C-O 3.59Å; M161-L181 WeakPolarHBondContact CA-O 3.28Å; Q162-L181 HydrophobicContact CB-CB 4.35Å; Q162-L181 PolarHBondContact N-O 3.12Å; Q162-L181 PolarHBondContact O-N 3.23Å; L181-Q194 HydrophobicContact CD1-CG 3.59Å; L181-Q194 HydrophobicContact CD2-CG 4.49Å; L181-Q194 HydrophobicContact CG-CG 4.12Å; L181-Q196 HydrophobicContact CD1-CB 3.71Å; L181-Q196 HydrophobicContact CD1-CG 4.1Å
182L95.6Very high82.9Confident0 Ų064.4 Ų64.40%040%0.402CS..EExtended strand (participates in β ladder)trans-115.2135.6176.2-56.8-177.1000109.8L143 I158 M161 M180 Q194 L195L143-L182 HydrophobicContact CD2-CD1 3.67Å; I158-L182 HydrophobicContact CD1-CD1 4.36Å; M161-L182 HydrophobicContact CB-CD2 3.74Å; M161-L182 HydrophobicContact CE-CD2 3.63Å; M161-L182 HydrophobicContact CG-CD2 3.51Å; M161-L182 HydrophobicContact SD-CD2 4.25Å; M180-L182 HydrophobicContact CE-CD1 3.87Å; M180-L182 HydrophobicContact CE-CD2 3.82Å; M180-L182 HydrophobicContact CE-CG 3.91Å; M180-L182 HydrophobicContact CG-CD2 3.83Å; M180-L182 HydrophobicContact CG-CG 4.26Å; M180-L182 HydrophobicContact SD-CD2 3.68Å; M180-L182 HydrophobicContact SD-CG 4.37Å; L182-Q194 CarbonylContact O-C 3.54Å; L182-Q194 WeakPolarHBondContact O-CA 3.23Å; L182-L195 HydrophobicContact CB-CB 4.31Å; L182-L195 HydrophobicContact CD1-CD2 4.05Å; L182-L195 HydrophobicContact CG-CD2 4.33Å; L182-L195 PolarHBondContact N-O 2.96Å; L182-L195 PolarHBondContact O-N 2.94Å
183H95Very high85Confident65 Ų6564.1 Ų64.130%0.30138%0.377SS..EExtended strand (participates in β ladder)trans-110.3125.3162.2-60.7160.6000109.1I158 S159 S160 Q193I158-H183 CarbonylContact C-O 3.51Å; S159-H183 PolarHBondContact N-O 2.98Å; S159-H183 WeakPolarHBondContact OG-CB 3.42Å; S159-H183 PolarHBondContact OG-O 3.37Å; S160-H183 PolarHBondContact N-O 3.27Å; S160-H183 PolarHBondContact O-N 3.01Å; S160-H183 WeakPolarHBondContact OG-CB 3.25Å; S160-H183 PolarHBondContact OG-ND1 2.91Å; S160-H183 VanDerWaalsContact OG-ND1 3.16Å; H183-Q193 WeakPolarHBondContact CA-O 3.41Å
184Y94.2Very high87.1Confident21 Ų2165.1 Ų65.18%0.08237%0.368CS..EExtended strand (participates in β ladder)trans-139159.1-178.271.4-77.3000111.1V153 R157 P186 A192 Q193 L195V153-Y184 HydrophobicContact CG1-CD1 4.32Å; V153-Y184 HydrophobicContact CG1-CD2 3.81Å; V153-Y184 HydrophobicContact CG1-CE2 4.43Å; V153-Y184 HydrophobicContact CG1-CG 3.75Å; V153-Y184 HydrophobicContact CG2-CD2 4.31Å; V153-Y184 HydrophobicContact CG2-CE1 4.37Å; V153-Y184 HydrophobicContact CG2-CE2 4.1Å; R157-Y184 VanDerWaalsContact O-CA 3.32Å; R157-Y184 WeakPolarHBondContact O-CA 3.5Å; Y184-P186 HydrophobicContact CD2-CG 4.32Å; Y184-P186 HydrophobicContact CE2-CB 4.33Å; Y184-P186 HydrophobicContact CE2-CG 3.81Å; Y184-A192 CarbonylContact O-C 3.57Å; Y184-A192 WeakPolarHBondContact O-CA 3.11Å; Y184-Q193 HydrophobicContact CD1-CB 4.46Å; Y184-Q193 WeakPolarHBondContact CD1-O 3.45Å; Y184-Q193 HydrophobicContact CE1-CB 3.89Å; Y184-Q193 HydrophobicContact CE2-CB 4.49Å; Y184-Q193 PolarHBondContact N-O 3.35Å; Y184-Q193 PolarHBondContact O-N 3.37Å; Y184-Q193 PolarHBondContact OH-OE1 3.49Å; Y184-Q193 VanDerWaalsContact OH-OE1 3.07Å; Y184-L195 HydrophobicContact CD1-CB 4.39Å; Y184-L195 HydrophobicContact CE1-CB 3.92Å
185K93.3Very high89Confident92 Ų9258.3 Ų58.340%0.433%0.326SS..  trans-103111.1174.1-68.6-176.1176.1-173.10109.6R157R157-K185 WeakPolarHBondContact CB-O 3.19Å; R157-K185 VanDerWaalsContact CD-O 3.29Å; R157-K185 WeakPolarHBondContact CD-O 3.41Å; R157-K185 PolarHBondContact NE-O 3.24Å; R157-K185 PolarHBondContact O-N 3.45Å
186P89Confident90.4Very high23 Ų2357 Ų5715%0.14931%0.311CS..  trans-57.4161.5178.6-22.732.5000113R157 Y184 G188 S189 D191 Q193R157-P186 PolarHBondContact NH2-O 3.36Å; Y184-P186 HydrophobicContact CD2-CG 4.32Å; Y184-P186 HydrophobicContact CE2-CB 4.33Å; Y184-P186 HydrophobicContact CE2-CG 3.81Å; P186-G188 PolarHBondContact O-N 2.79Å; P186-S189 PolarHBondContact O-N 3.22Å; P186-D191 WeakPolarHBondContact CD-O 3.34Å; P186-Q193 HydrophobicContact CG-CB 4.12Å; P186-Q193 HydrophobicContact CG-CG 3.68Å
187M83.1Confident91.2Very high135 Ų13551.1 Ų51.167%0.66529%0.289SS*.THydrogen-bonded Turntrans-63.9129.2170.4-73-57.2-45.900110R157 S189R157-M187 PolarHBondContact NH1-SD 2.92Å; M187-S189 VanDerWaalsContact C-N 3.26Å; M187-S189 PolarHBondContact O-N 3.25Å
188G83Confident91.6Very high86 Ų8654.7 Ų54.789%0.88730%0.302SS*.THydrogen-bonded Turntrans79.5-4.1178.300000115.9P186P186-G188 PolarHBondContact O-N 2.79Å
189S85.1Confident91.7Very high34 Ų3454.8 Ų54.824%0.23830%0.304CS..  trans-112145.4173.9-174.60000111.6P186 M187 D191P186-S189 PolarHBondContact O-N 3.22Å; M187-S189 VanDerWaalsContact C-N 3.26Å; M187-S189 PolarHBondContact O-N 3.25Å; S189-D191 PolarHBondContact OG-N 3.27Å; S189-D191 VanDerWaalsContact OG-N 3.16Å
190Q78.3Confident91.4Very high155 Ų15555.6 Ų55.672%0.72431%0.311SS*.  trans-90.2-19.2170.6-67.5-60.1-30.800112.3
191D88Confident90.8Very high123 Ų12365 Ų6566%0.65836%0.355SS*.SBendtrans-81.1132.9-176.1-62-36.2000110.8P186 S189P186-D191 WeakPolarHBondContact CD-O 3.34Å; S189-D191 PolarHBondContact OG-N 3.27Å; S189-D191 VanDerWaalsContact OG-N 3.16Å
192A90.6Very high90.1Very high66 Ų6667.9 Ų67.955%0.54537%0.37SS..  trans-70.2134.517500000109.7Y184Y184-A192 CarbonylContact O-C 3.57Å; Y184-A192 WeakPolarHBondContact O-CA 3.11Å
193Q92.8Very high89.6Confident84 Ų8473.7 Ų73.739%0.39340%0.396SS..EExtended strand (participates in β ladder)trans-107.8152.1170.7-71.7-170.8-24.500110.2H183 Y184 P186H183-Q193 WeakPolarHBondContact CA-O 3.41Å; Y184-Q193 HydrophobicContact CD1-CB 4.46Å; Y184-Q193 WeakPolarHBondContact CD1-O 3.45Å; Y184-Q193 HydrophobicContact CE1-CB 3.89Å; Y184-Q193 HydrophobicContact CE2-CB 4.49Å; Y184-Q193 PolarHBondContact N-O 3.35Å; Y184-Q193 PolarHBondContact O-N 3.37Å; Y184-Q193 PolarHBondContact OH-OE1 3.49Å; Y184-Q193 VanDerWaalsContact OH-OE1 3.07Å; P186-Q193 HydrophobicContact CG-CB 4.12Å; P186-Q193 HydrophobicContact CG-CG 3.68Å
194Q94.7Very high89.4Confident72 Ų7277.7 Ų77.734%0.33641%0.412SS..EExtended strand (participates in β ladder)trans-101142.5175.6-177.1173.8-23.700109.6G124 L181 L182G124-Q194 WeakPolarHBondContact CA-O 3.42Å; G124-Q194 PolarHBondContact N-O 3.21Å; L181-Q194 HydrophobicContact CD1-CG 3.59Å; L181-Q194 HydrophobicContact CD2-CG 4.49Å; L181-Q194 HydrophobicContact CG-CG 4.12Å; L182-Q194 CarbonylContact O-C 3.54Å; L182-Q194 WeakPolarHBondContact O-CA 3.23Å
195L95.1Very high89.3Confident0 Ų079.3 Ų79.30%042%0.424CS..EExtended strand (participates in β ladder)trans-132.5124.8169.1177.4161.9000107.7V121 L123 L145 V153 L182 Y184 M197V121-L195 HydrophobicContact CG1-CD1 4.39Å; V121-L195 HydrophobicContact CG1-CD2 4.32Å; V121-L195 HydrophobicContact CG1-CG 4.1Å; L123-L195 HydrophobicContact CD2-CB 4.14Å; L123-L195 HydrophobicContact CD2-CD1 3.5Å; L123-L195 VanDerWaalsContact CD2-CD1 3.5Å; L123-L195 HydrophobicContact CD2-CG 3.75Å; L145-L195 HydrophobicContact CD1-CD1 3.34Å; L145-L195 HydrophobicContact CD2-CD1 4.27Å; L145-L195 HydrophobicContact CG-CD1 4.43Å; V153-L195 HydrophobicContact CG2-CD1 4.14Å; L182-L195 HydrophobicContact CB-CB 4.31Å; L182-L195 HydrophobicContact CD1-CD2 4.05Å; L182-L195 HydrophobicContact CG-CD2 4.33Å; L182-L195 PolarHBondContact N-O 2.96Å; L182-L195 PolarHBondContact O-N 2.94Å; Y184-L195 HydrophobicContact CD1-CB 4.39Å; Y184-L195 HydrophobicContact CE1-CB 3.92Å; L195-M197 HydrophobicContact CD2-CG 3.25Å; L195-M197 HydrophobicContact CD2-SD 3.73Å
196Q95.9Very high89.3Confident54 Ų5475 Ų7525%0.25241%0.406SS..EExtended strand (participates in β ladder)trans-110.9134.8176.3-177163.5-22.900109.7V121 T122 L164 L181 E198V121-Q196 CarbonylContact C-O 3.6Å; V121-Q196 VanDerWaalsContact CA-O 3.3Å; V121-Q196 WeakPolarHBondContact CA-O 2.99Å; T122-Q196 PolarHBondContact N-O 3.38Å; T122-Q196 PolarHBondContact O-N 3.05Å; L164-Q196 HydrophobicContact CD1-CG 4.26Å; L181-Q196 HydrophobicContact CD1-CB 3.71Å; L181-Q196 HydrophobicContact CD1-CG 4.1Å; Q196-E198 HydrophobicContact CG-CG 4.47Å; Q196-E198 PolarHBondContact NE2-OE1 3.45Å
197M95.5Very high89.5Confident0 Ų075 Ų750%041%0.406CS..EExtended strand (participates in β ladder)trans-124.7129.5176.7-52.3176.552.800108.7F119 V120 V121 C134 L143 G179 M180 L195 W209F119-M197 HydrophobicContact CB-CB 4.16Å; F119-M197 HydrophobicContact CB-CE 3.96Å; F119-M197 HydrophobicContact CD1-CB 4.15Å; F119-M197 HydrophobicContact CD1-CE 4.06Å; F119-M197 HydrophobicContact CD2-CE 3.38Å; F119-M197 HydrophobicContact CE1-CE 4.42Å; F119-M197 HydrophobicContact CE2-CE 3.79Å; F119-M197 HydrophobicContact CG-CB 4.25Å; F119-M197 HydrophobicContact CG-CE 3.52Å; F119-M197 HydrophobicContact CZ-CE 4.29Å; V120-M197 WeakPolarHBondContact O-CA 3.28Å; V121-M197 HydrophobicContact CG2-CG 4.31Å; C134-M197 HydrophobicContact CB-CE 3.37Å; C134-M197 WeakPolarHBondContact SG-CE 3.42Å; L143-M197 HydrophobicContact CD2-SD 4.45Å; G179-M197 CarbonylContact C-O 3.57Å; G179-M197 WeakPolarHBondContact CA-O 3.32Å; M180-M197 HydrophobicContact CE-CE 4.41Å; M180-M197 HydrophobicContact CE-SD 3.37Å; M180-M197 WeakPolarHBondContact CE-SD 3.38Å; M180-M197 PolarHBondContact N-O 2.94Å; M180-M197 PolarHBondContact O-N 2.9Å; L195-M197 HydrophobicContact CD2-CG 3.25Å; L195-M197 HydrophobicContact CD2-SD 3.73Å; M197-W209 HydrophobicContact CE-CH2 4.36Å; M197-W209 HydrophobicContact CE-CZ3 4.1Å
198E95.2Very high90Very high92 Ų9272.8 Ų72.843%0.4340%0.397SS..EExtended strand (participates in β ladder)trans-121.1139.8174.2-66.7-178.2-166.800109.6F119 V120 Q196 A200F119-E198 CarbonylContact C-O 3.56Å; F119-E198 WeakPolarHBondContact CA-O 3.2Å; F119-E198 WeakPolarHBondContact CB-O 3.01Å; V120-E198 PolarHBondContact N-O 2.87Å; V120-E198 PolarHBondContact O-N 2.8Å; Q196-E198 HydrophobicContact CG-CG 4.47Å; Q196-E198 PolarHBondContact NE2-OE1 3.45Å; E198-A200 PolarHBondContact O-N 3.47Å
199A94.3Very high90.7Very high24 Ų2468.7 Ų68.720%0.19835%0.354CS..EExtended strand (participates in β ladder)trans-58.1124.6179.300000109.7S178 A206S178-A199 WeakPolarHBondContact O-CB 3.31Å; S178-A199 PolarHBondContact O-N 3.25Å; A199-A206 HydrophobicContact CB-CB 3.54Å
200A89.9Confident91.2Very high18 Ų1867.1 Ų67.115%0.14934%0.343CS..  trans-75.8-149.4172.500000110.4T118 V120 E198 D202T118-A200 HydrophobicContact CG2-CB 3.95Å; T118-A200 WeakPolarHBondContact O-CB 3.45Å; T118-A200 PolarHBondContact O-N 3Å; V120-A200 HydrophobicContact CG2-CB 4.4Å; E198-A200 PolarHBondContact O-N 3.47Å; A200-D202 PolarHBondContact O-N 3.08Å
201E82.4Confident92Very high197 Ų19761.9 Ų61.992%0.92133%0.327SS*.SBendtrans-61.8-40.6-174.8-60.8-172.4167.600113.5K203E201-K203 VanDerWaalsContact C-N 3.33Å; E201-K203 PolarHBondContact O-N 3.07Å
202D81.6Confident92.3Very high84 Ų8456 Ų5645%0.44930%0.295SS..  trans-82.777.3176.6-167.6-19.6000112.2A200 K204 V205 A206A200-D202 PolarHBondContact O-N 3.08Å; D202-K204 PolarHBondContact O-N 3.36Å; D202-K204 VanDerWaalsContact O-N 3.12Å; D202-K204 PolarHBondContact OD1-N 3.49Å; D202-V205 PolarHBondContact OD1-N 2.81Å; D202-V205 WeakPolarHBondContact OD2-CG2 3.19Å; D202-A206 VanDerWaalsContact O-CB 3.24Å; D202-A206 WeakPolarHBondContact O-CB 3.48Å; D202-A206 PolarHBondContact O-N 2.97Å
203K85.2Confident92.6Very high123 Ų12352.9 Ų52.954%0.53527%0.269SS..Hα-helixtrans-60.2-22.5177.6-62-172.9178.1-169.90113.1R176 E201 S207R176-K203 PolarHBondContact NH2-O 2.96Å; E201-K203 VanDerWaalsContact C-N 3.33Å; E201-K203 PolarHBondContact O-N 3.07Å; K203-S207 WeakPolarHBondContact O-CB 3.31Å; K203-S207 PolarHBondContact O-N 2.72Å
204K89.9Confident92.6Very high148 Ų14852.6 Ų52.664%0.64327%0.268SS*.Hα-helixtrans-78-53-176.5-173.5-178.7176.1-175.90110.8R176 D202 A206 S207 L208R176-K204 VanDerWaalsContact NH2-N 3.2Å; D202-K204 PolarHBondContact O-N 3.36Å; D202-K204 VanDerWaalsContact O-N 3.12Å; D202-K204 PolarHBondContact OD1-N 3.49Å; K204-A206 VanDerWaalsContact C-N 3.33Å; K204-S207 PolarHBondContact O-N 3.15Å; K204-L208 WeakPolarHBondContact O-CG 3.14Å; K204-L208 PolarHBondContact O-N 3.36Å; K204-L208 VanDerWaalsContact O-N 3.12Å
205V92.3Very high92.6Very high56 Ų5652.8 Ų52.834%0.33927%0.267SS..Hα-helixtrans-62.2-46.1175.8174.60000109.7D202 S207 L208 W209D202-V205 PolarHBondContact OD1-N 2.81Å; D202-V205 WeakPolarHBondContact OD2-CG2 3.19Å; V205-S207 PolarHBondContact O-N 3.29Å; V205-L208 PolarHBondContact O-N 2.94Å; V205-W209 WeakPolarHBondContact O-CB 3.46Å; V205-W209 PolarHBondContact O-N 2.72Å
206A93.8Very high92.6Very high1 Ų152.8 Ų52.81%0.00827%0.267CS..Hα-helixtrans-56.8-48.3177.900000112.3F119 A199 D202 K204 L208 W209 L210F119-A206 HydrophobicContact CD1-CB 4.38Å; F119-A206 HydrophobicContact CE1-CB 3.67Å; F119-A206 HydrophobicContact CZ-CB 3.93Å; A199-A206 HydrophobicContact CB-CB 3.54Å; D202-A206 VanDerWaalsContact O-CB 3.24Å; D202-A206 WeakPolarHBondContact O-CB 3.48Å; D202-A206 PolarHBondContact O-N 2.97Å; K204-A206 VanDerWaalsContact C-N 3.33Å; A206-L208 PolarHBondContact O-N 3.1Å; A206-W209 PolarHBondContact O-N 3.32Å; A206-L210 WeakPolarHBondContact O-CB 3.18Å; A206-L210 WeakPolarHBondContact O-CG 3.13Å; A206-L210 PolarHBondContact O-N 3.01Å
207S93Very high92.5Very high22 Ų2251.3 Ų51.315%0.15427%0.265CS..Hα-helixtrans-63.9-39.1-179.9-177.80000113.2R176 K203 K204 V205 A211R176-S207 VanDerWaalsContact CG-OG 3.31Å; R176-S207 WeakPolarHBondContact CG-OG 3.22Å; R176-S207 PolarHBondContact NE-OG 2.53Å; K203-S207 WeakPolarHBondContact O-CB 3.31Å; K203-S207 PolarHBondContact O-N 2.72Å; K204-S207 PolarHBondContact O-N 3.15Å; V205-S207 PolarHBondContact O-N 3.29Å; S207-A211 WeakPolarHBondContact O-CB 3.27Å; S207-A211 PolarHBondContact O-N 2.77Å
208L94.4Very high92.3Very high90 Ų9056.7 Ų56.747%0.47129%0.288SS..Hα-helixtrans-65.7-41.3174.1-71.4172.9000111.6V112 K204 V205 A206 A211 A212V112-L208 HydrophobicContact CG1-CB 4.29Å; K204-L208 WeakPolarHBondContact O-CG 3.14Å; K204-L208 PolarHBondContact O-N 3.36Å; K204-L208 VanDerWaalsContact O-N 3.12Å; V205-L208 PolarHBondContact O-N 2.94Å; A206-L208 PolarHBondContact O-N 3.1Å; L208-A211 PolarHBondContact O-N 2.84Å; L208-A212 WeakPolarHBondContact O-CB 3.25Å; L208-A212 PolarHBondContact O-N 2.8Å
209W96.9Very high92.2Very high0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-65.1-44.4178-167.2104.4000111.5V112 L113 G116 F119 C134 L143 M180 M197 V205 A206 A211 A212 M213V112-W209 HydrophobicContact CG1-CB 4.16Å; L113-W209 HydrophobicContact CD2-CD2 3.96Å; L113-W209 HydrophobicContact CD2-CE3 4.49Å; L113-W209 HydrophobicContact CD2-CG 4.31Å; L113-W209 HydrophobicContact CD2-CH2 4.47Å; L113-W209 HydrophobicContact CD2-CZ2 3.96Å; L113-W209 PolarHBondContact O-NE1 2.94Å; G116-W209 VanDerWaalsContact C-CD1 3.5Å; F119-W209 HydrophobicContact CE2-CD2 4.03Å; F119-W209 AromaticContact CE2-CE3 3.93Å; F119-W209 HydrophobicContact CE2-CE3 3.93Å; F119-W209 HydrophobicContact CE2-CG 4.3Å; F119-W209 HydrophobicContact CZ-CB 4.16Å; F119-W209 HydrophobicContact CZ-CD2 4.08Å; F119-W209 AromaticContact CZ-CE3 3.72Å; F119-W209 HydrophobicContact CZ-CE3 3.72Å; F119-W209 HydrophobicContact CZ-CG 4.27Å; C134-W209 PolarHBondContact O-NE1 2.8Å; L143-W209 HydrophobicContact CD1-CH2 3.6Å; L143-W209 HydrophobicContact CD1-CZ2 3.65Å; M180-W209 HydrophobicContact CE-CH2 4.28Å; M180-W209 HydrophobicContact CE-CZ3 3.75Å; M197-W209 HydrophobicContact CE-CH2 4.36Å; M197-W209 HydrophobicContact CE-CZ3 4.1Å; V205-W209 WeakPolarHBondContact O-CB 3.46Å; V205-W209 PolarHBondContact O-N 2.72Å; A206-W209 PolarHBondContact O-N 3.32Å; W209-A211 PolarHBondContact O-N 2.93Å; W209-A212 WeakPolarHBondContact O-CB 3.39Å; W209-A212 PolarHBondContact O-N 3.12Å; W209-M213 HydrophobicContact CE3-CB 4.03Å; W209-M213 HydrophobicContact CH2-CB 4.16Å; W209-M213 HydrophobicContact CH2-CG 3.89Å; W209-M213 HydrophobicContact CH2-SD 3.92Å; W209-M213 HydrophobicContact CZ2-SD 4.42Å; W209-M213 HydrophobicContact CZ3-CB 3.68Å; W209-M213 HydrophobicContact CZ3-CG 3.79Å; W209-M213 HydrophobicContact CZ3-SD 4.4Å; W209-M213 WeakPolarHBondContact O-CB 3.31Å; W209-M213 PolarHBondContact O-N 3.32Å
210L96Very high92.1Very high0 Ų052.2 Ų52.20%026%0.264CS..Hα-helixtrans-60-44.4175.2-69.6169.3000111.7F119 I163 A177 M180 A206 A212 M213 H214F119-L210 HydrophobicContact CE1-CD1 4.05Å; F119-L210 HydrophobicContact CE1-CD2 3.85Å; F119-L210 HydrophobicContact CE1-CG 3.77Å; F119-L210 HydrophobicContact CZ-CD2 4.3Å; F119-L210 HydrophobicContact CZ-CG 4.14Å; I163-L210 HydrophobicContact CD1-CB 4.41Å; A177-L210 HydrophobicContact CB-CB 3.91Å; A177-L210 HydrophobicContact CB-CD1 4.05Å; M180-L210 HydrophobicContact CB-CD2 3.53Å; A206-L210 WeakPolarHBondContact O-CB 3.18Å; A206-L210 WeakPolarHBondContact O-CG 3.13Å; A206-L210 PolarHBondContact O-N 3.01Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.43Å; L210-M213 PolarHBondContact O-N 2.95Å; L210-H214 PolarHBondContact O-N 2.96Å
211A94Very high92.1Very high46 Ų4656.8 Ų56.838%0.3828%0.282SS..Hα-helixtrans-63.8-39.2175.700000112.3S207 L208 W209 K215S207-A211 WeakPolarHBondContact O-CB 3.27Å; S207-A211 PolarHBondContact O-N 2.77Å; L208-A211 PolarHBondContact O-N 2.84Å; W209-A211 PolarHBondContact O-N 2.93Å; A211-K215 PolarHBondContact O-N 3.01Å
212A96.1Very high92.3Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-64-42.1174.600000111.4Q109 L113 L208 W209 L210 K215 A216Q109-A212 HydrophobicContact CB-CB 3.92Å; Q109-A212 VanDerWaalsContact OE1-CA 3.26Å; L113-A212 HydrophobicContact CD1-CB 4.16Å; L113-A212 HydrophobicContact CD2-CB 3.78Å; L113-A212 HydrophobicContact CG-CB 3.72Å; L208-A212 WeakPolarHBondContact O-CB 3.25Å; L208-A212 PolarHBondContact O-N 2.8Å; W209-A212 WeakPolarHBondContact O-CB 3.39Å; W209-A212 PolarHBondContact O-N 3.12Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.43Å; A212-K215 WeakPolarHBondContact O-CB 3.38Å; A212-K215 PolarHBondContact O-N 3Å; A212-A216 PolarHBondContact O-N 3.45Å
213M96.1Very high92.6Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-69.2-36.9-178.5-162.963.5-163.600111.5L113 L136 L155 M161 M180 W209 L210 K215 A216 A217L113-M213 HydrophobicContact CD2-CB 3.94Å; L113-M213 HydrophobicContact CD2-SD 3.85Å; L136-M213 HydrophobicContact CD2-CE 4.28Å; L136-M213 HydrophobicContact CD2-SD 4.33Å; L155-M213 HydrophobicContact CD2-CE 3.77Å; M161-M213 HydrophobicContact CE-CE 3.42Å; M161-M213 VanDerWaalsContact CE-CE 3.42Å; M161-M213 HydrophobicContact CE-CG 3.55Å; M161-M213 HydrophobicContact CE-SD 4.3Å; M161-M213 HydrophobicContact SD-CB 4.38Å; M161-M213 HydrophobicContact SD-CG 3.77Å; M180-M213 HydrophobicContact CE-CG 4.05Å; M180-M213 HydrophobicContact SD-CB 4.18Å; M180-M213 HydrophobicContact SD-CG 3.77Å; W209-M213 HydrophobicContact CE3-CB 4.03Å; W209-M213 HydrophobicContact CH2-CB 4.16Å; W209-M213 HydrophobicContact CH2-CG 3.89Å; W209-M213 HydrophobicContact CH2-SD 3.92Å; W209-M213 HydrophobicContact CZ2-SD 4.42Å; W209-M213 HydrophobicContact CZ3-CB 3.68Å; W209-M213 HydrophobicContact CZ3-CG 3.79Å; W209-M213 HydrophobicContact CZ3-SD 4.4Å; W209-M213 WeakPolarHBondContact O-CB 3.31Å; W209-M213 PolarHBondContact O-N 3.32Å; L210-M213 PolarHBondContact O-N 2.95Å; M213-K215 VanDerWaalsContact C-N 3.34Å; M213-K215 PolarHBondContact O-N 3.28Å; M213-A216 WeakPolarHBondContact O-CA 3.28Å; M213-A216 WeakPolarHBondContact O-CB 3.24Å; M213-A216 PolarHBondContact O-N 3.11Å; M213-A216 VanDerWaalsContact O-N 3.13Å; M213-A216 HydrophobicContact SD-CB 4.21Å; M213-A217 PolarHBondContact O-N 2.68Å
214H93.3Very high92.6Very high77 Ų7748.4 Ų48.436%0.35624%0.24SC..Hα-helixtrans-60.6-41.3170.6178.5-128.4000112.5I163 L210 A216 A217 K218I163-H214 HydrophobicContact CD1-CB 3.97Å; I163-H214 HydrophobicContact CG1-CB 3.8Å; L210-H214 PolarHBondContact O-N 2.96Å; H214-A216 VanDerWaalsContact C-N 3.35Å; H214-A217 PolarHBondContact O-N 2.93Å; H214-K218 VanDerWaalsContact CE1-CE 3.46Å; H214-K218 WeakPolarHBondContact CE1-CE 3.33Å; H214-K218 WeakPolarHBondContact NE2-CE 3.37Å; H214-K218 PolarHBondContact O-N 3.29Å
215K93.9Very high92.1Very high76 Ų7646.9 Ų46.933%0.3324%0.239SC..Hα-helixtrans-64-40.7172.5-72.8-177.7175.6-174.20111.1E104 F105 Q109 A211 A212 M213 A217 K218 L219E104-K215 IonicContact OE2-NZ 3.27Å; E104-K215 PolarHBondContact OE2-NZ 2.75Å; F105-K215 HydrophobicContact CD2-CB 4.1Å; Q109-K215 HydrophobicContact CG-CD 4.05Å; A211-K215 PolarHBondContact O-N 3.01Å; A212-K215 WeakPolarHBondContact O-CB 3.38Å; A212-K215 PolarHBondContact O-N 3Å; M213-K215 VanDerWaalsContact C-N 3.34Å; M213-K215 PolarHBondContact O-N 3.28Å; K215-A217 PolarHBondContact O-N 2.94Å; K215-K218 PolarHBondContact O-N 3.29Å; K215-L219 PolarHBondContact O-N 3.37Å
216A95.3Very high90.9Very high0 Ų050.9 Ų50.90%025%0.254CS..Hα-helixtrans-59.9-43.7176.200000112F30 F105 L113 A212 M213 H214 K218 L219 L220F30-A216 HydrophobicContact CE1-CB 3.82Å; F30-A216 HydrophobicContact CZ-CB 3.94Å; F105-A216 HydrophobicContact CE2-CB 3.79Å; F105-A216 HydrophobicContact CZ-CB 3.99Å; L113-A216 HydrophobicContact CD1-CB 3.94Å; A212-A216 PolarHBondContact O-N 3.45Å; M213-A216 WeakPolarHBondContact O-CA 3.28Å; M213-A216 WeakPolarHBondContact O-CB 3.24Å; M213-A216 PolarHBondContact O-N 3.11Å; M213-A216 VanDerWaalsContact O-N 3.13Å; M213-A216 HydrophobicContact SD-CB 4.21Å; H214-A216 VanDerWaalsContact C-N 3.35Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.1Å; A216-L219 PolarHBondContact O-N 3.49Å; A216-L219 VanDerWaalsContact O-N 3.15Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.21Å
217A93Very high90.7Very high23 Ų2353.4 Ų53.419%0.1927%0.266CS..Hα-helixtrans-59.6-39.2177.700000113.2M161 M213 H214 K215 L220 H221M161-A217 HydrophobicContact CB-CB 4.22Å; M161-A217 HydrophobicContact CE-CB 3.84Å; M161-A217 HydrophobicContact CG-CB 4.43Å; M161-A217 HydrophobicContact SD-CB 3.53Å; M161-A217 VanDerWaalsContact SD-CB 3.53Å; M213-A217 PolarHBondContact O-N 2.68Å; H214-A217 PolarHBondContact O-N 2.93Å; K215-A217 PolarHBondContact O-N 2.94Å; A217-L220 PolarHBondContact O-N 3.28Å; A217-H221 PolarHBondContact O-N 3.09Å
218K91.5Very high90.6Very high114 Ų11455.1 Ų55.150%0.49627%0.272SS..Hα-helixtrans-61.9-45.3174.7-66.6-176.8-178.9-171.20111.7H214 K215 A216 L220 H221 E222H214-K218 VanDerWaalsContact CE1-CE 3.46Å; H214-K218 WeakPolarHBondContact CE1-CE 3.33Å; H214-K218 WeakPolarHBondContact NE2-CE 3.37Å; H214-K218 PolarHBondContact O-N 3.29Å; K215-K218 PolarHBondContact O-N 3.29Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.1Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 2.84Å; K218-H221 PolarHBondContact O-N 3.25Å; K218-E222 WeakPolarHBondContact O-CG 3.36Å; K218-E222 PolarHBondContact O-N 3.49Å
219L93.3Very high90.4Very high12 Ų1253.1 Ų53.16%0.06326%0.261CS..Hα-helixtrans-64.2-38177.1-63.1175.5000112F30 R82 E102 F105 K215 A216 A223F30-L219 HydrophobicContact CD1-CB 4.14Å; R82-L219 PolarHBondContact NH2-O 2.65Å; E102-L219 HydrophobicContact CG-CD2 4.12Å; F105-L219 HydrophobicContact CB-CD1 4.16Å; F105-L219 HydrophobicContact CD1-CD1 3.36Å; F105-L219 HydrophobicContact CD2-CD1 3.92Å; F105-L219 HydrophobicContact CE1-CD1 3.6Å; F105-L219 HydrophobicContact CE2-CD1 4.14Å; F105-L219 HydrophobicContact CG-CD1 3.53Å; F105-L219 HydrophobicContact CZ-CD1 3.99Å; K215-L219 PolarHBondContact O-N 3.37Å; A216-L219 PolarHBondContact O-N 3.49Å; A216-L219 VanDerWaalsContact O-N 3.15Å; L219-A223 WeakPolarHBondContact O-CB 3.09Å; L219-A223 PolarHBondContact O-N 2.91Å
220L92.6Very high90Very high10 Ų1056.2 Ų56.25%0.05228%0.277CS..Hα-helixtrans-62.9-43.7175-69.9170.5000111.8P29 F30 L155 A216 A217 K218 A223 R224P29-L220 HydrophobicContact CB-CD2 3.56Å; P29-L220 HydrophobicContact CG-CD2 3.73Å; F30-L220 HydrophobicContact CD1-CD2 3.66Å; F30-L220 HydrophobicContact CD1-CG 3.89Å; F30-L220 HydrophobicContact CE1-CD1 4.15Å; F30-L220 HydrophobicContact CE1-CD2 3.62Å; F30-L220 HydrophobicContact CE1-CG 3.61Å; L155-L220 HydrophobicContact CB-CD1 4.18Å; L155-L220 HydrophobicContact CB-CD2 4.46Å; L155-L220 HydrophobicContact CD1-CD1 4.26Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.21Å; A217-L220 PolarHBondContact O-N 3.28Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 2.84Å; L220-A223 PolarHBondContact O-N 2.82Å; L220-R224 WeakPolarHBondContact O-CG 3.47Å; L220-R224 PolarHBondContact O-N 2.8Å
221H89.9Confident89.7Confident114 Ų11459.8 Ų59.853%0.52829%0.294SS..Hα-helixtrans-62.7-49.3178.3-177.442000111.1A217 K218 A223 R224 D225A217-H221 PolarHBondContact O-N 3.09Å; K218-H221 PolarHBondContact O-N 3.25Å; H221-A223 PolarHBondContact O-N 3.11Å; H221-R224 PolarHBondContact O-N 2.91Å; H221-D225 IonicContact CE1-OD1 3.82Å; H221-D225 IonicContact CE1-OD2 2.77Å; H221-D225 PolarHBondContact CE1-OD2 3.21Å; H221-D225 IonicContact ND1-OD2 3.99Å; H221-D225 IonicContact NE2-OD2 3.78Å; H221-D225 PolarHBondContact O-N 3.14Å
222E86.7Confident89.4Confident91 Ų9160.7 Ų60.743%0.42529%0.288SS..Hα-helixtrans-59.5-32.7176.9-70171.4-175.100113.3R82 K218R82-E222 IonicContact CZ-OE2 3.84Å; R82-E222 IonicContact NH1-OE2 3.83Å; R82-E222 PolarHBondContact NH1-OE2 2.83Å; K218-E222 WeakPolarHBondContact O-CG 3.36Å; K218-E222 PolarHBondContact O-N 3.49Å
223A87.4Confident88.9Confident20 Ų2065 Ų6517%0.16531%0.309CS..Hα-helixtrans-75-24.4177.700000113.3L32 L219 L220 H221L32-A223 HydrophobicContact CD2-CB 3.8Å; L219-A223 WeakPolarHBondContact O-CB 3.09Å; L219-A223 PolarHBondContact O-N 2.91Å; L220-A223 PolarHBondContact O-N 2.82Å; H221-A223 PolarHBondContact O-N 3.11Å
224R85.9Confident88.3Confident117 Ų11770 Ų7044%0.44233%0.332SS..Hα-helixtrans-79.3-25.8176.8-71.2173.4-175.3178.73.9112.9L155 S156 I158 L220 H221 Q226L155-R224 PolarHBondContact O-NH2 3.43Å; S156-R224 PolarHBondContact O-NH2 3.37Å; S156-R224 VanDerWaalsContact O-NH2 3.08Å; I158-R224 VanDerWaalsContact O-CZ 3.27Å; I158-R224 PolarHBondContact O-NH1 2.77Å; I158-R224 PolarHBondContact O-NH2 3.36Å; L220-R224 WeakPolarHBondContact O-CG 3.47Å; L220-R224 PolarHBondContact O-N 2.8Å; H221-R224 PolarHBondContact O-N 2.91Å; R224-Q226 VanDerWaalsContact C-N 3.3Å
225D78.9Confident87.9Confident116 Ų11669.4 Ų69.462%0.6233%0.33SS*.  trans-86.81.6-177.9-65.2-17.2000113.2H221H221-D225 IonicContact CE1-OD1 3.82Å; H221-D225 IonicContact CE1-OD2 2.77Å; H221-D225 PolarHBondContact CE1-OD2 3.21Å; H221-D225 IonicContact ND1-OD2 3.99Å; H221-D225 IonicContact NE2-OD2 3.78Å; H221-D225 PolarHBondContact O-N 3.14Å
226Q66.8Low87.4Confident140 Ų14068.8 Ų68.865%0.65433%0.33SS*.  trans-89.20177-167.5-179.424.300111.5L32 D33 R224L32-Q226 VanDerWaalsContact CB-OE1 3.25Å; D33-Q226 VanDerWaalsContact N-OE1 3.12Å; D33-Q226 PolarHBondContact O-NE2 3.38Å; R224-Q226 VanDerWaalsContact C-N 3.3Å

Retrieved 226 of 226 residues in 326.2 ms (Link to these results)

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