A0A096MHG7_POEFO Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A096MHG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 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
1A84.1Confident95.1Very high101 Ų10157.3 Ų57.384%0.83530%0.298SS*.  0128.9000000107.9R12 G13A1-R12 HydrophobicContact CB-CG 3.81Å; A1-G13 WeakPolarHBondContact CB-O 3.45Å
2P95.3Very high95.4Very high19 Ų1961.6 Ų61.612%0.12331%0.308CS..  trans-64.1141.3176.928.8-36.3000110.4G13 H26 F28P2-G13 WeakPolarHBondContact CD-O 3.43Å; P2-G13 PolarHBondContact O-N 2.67Å; P2-H26 HydrophobicContact CB-CB 4.09Å; P2-H26 HydrophobicContact CG-CB 3.9Å; P2-F28 HydrophobicContact CB-CZ 4.04Å; P2-F28 HydrophobicContact CG-CZ 4.18Å
3E97.1Very high95.6Very high87 Ų8756.8 Ų56.841%0.40728%0.284SS..EExtended strand (participates in β ladder)trans-123.2140.1174.3-63.6-170.3-178.200109.9R10 L11 R12 L56E3-R10 IonicContact OE2-CZ 3.75Å; E3-R10 IonicContact OE2-NH2 2.67Å; E3-R10 PolarHBondContact OE2-NH2 2.83Å; E3-L11 VanDerWaalsContact CA-O 3.23Å; E3-L11 WeakPolarHBondContact CA-O 3.37Å; E3-R12 IonicContact OE1-NE 2.87Å; E3-R12 IonicContact OE1-NH2 3.25Å; E3-L56 HydrophobicContact CG-CD1 4.38Å; E3-L56 WeakPolarHBondContact OE1-CD2 3.38Å
4V96.9Very high95.8Very high15 Ų1557.4 Ų57.49%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-133.9138.71801680000109.4T6 R10 L11 F28 S185 F186V4-T6 HydrophobicContact CG1-CG2 4.34Å; V4-R10 WeakPolarHBondContact O-CA 3.23Å; V4-L11 PolarHBondContact N-O 3.22Å; V4-L11 PolarHBondContact O-N 2.83Å; V4-F28 HydrophobicContact CB-CE1 4.01Å; V4-F28 HydrophobicContact CB-CZ 4.03Å; V4-F28 HydrophobicContact CG2-CE1 3.89Å; V4-F28 HydrophobicContact CG2-CE2 4.07Å; V4-F28 HydrophobicContact CG2-CZ 3.38Å; V4-S185 VanDerWaalsContact CG1-O 3.31Å; V4-S185 WeakPolarHBondContact CG1-O 3.37Å; V4-F186 HydrophobicContact CB-CD1 4.47Å; V4-F186 HydrophobicContact CB-CE1 4.11Å; V4-F186 HydrophobicContact CG1-CD1 4.13Å; V4-F186 HydrophobicContact CG1-CD2 4.42Å; V4-F186 HydrophobicContact CG1-CE1 3.82Å; V4-F186 HydrophobicContact CG1-CE2 4.14Å; V4-F186 HydrophobicContact CG1-CG 4.43Å; V4-F186 HydrophobicContact CG1-CZ 3.84Å; V4-F186 HydrophobicContact CG2-CD1 4.19Å; V4-F186 HydrophobicContact CG2-CE1 4.28Å
5Q96.3Very high95.9Very high115 Ų11561.5 Ų61.554%0.53730%0.297SS..EExtended strand (participates in β ladder)trans-96.3119.9170.4176.568.559.300108.7S185Q5-S185 VanDerWaalsContact O-CB 3.28Å; Q5-S185 WeakPolarHBondContact O-CB 3.42Å; Q5-S185 PolarHBondContact O-OG 2.97Å
6T95Very high96Very high6 Ų658.2 Ų58.24%0.03728%0.282CS..  trans-100.6179.1169.871.10000110.3V4 L8 G9 L11 W178 F186V4-T6 HydrophobicContact CG1-CG2 4.34Å; T6-L8 PolarHBondContact O-N 3.17Å; T6-L8 PolarHBondContact OG1-N 3.13Å; T6-G9 PolarHBondContact N-O 3.16Å; T6-G9 PolarHBondContact OG1-N 2.86Å; T6-G9 VanDerWaalsContact OG1-N 3.12Å; T6-G9 PolarHBondContact OG1-O 2.84Å; T6-L11 HydrophobicContact CG2-CD1 3.76Å; T6-W178 HydrophobicContact CG2-CZ2 4.48Å; T6-F186 HydrophobicContact CG2-CE2 3.82Å; T6-F186 HydrophobicContact CG2-CZ 3.75Å
7K93.1Very high96Very high139 Ų13958.4 Ų58.460%0.60429%0.291SS*.SBendtrans-64.3-27.5170.5-67.3-177.4-179.71730112.9E181 N182K7-E181 HydrophobicContact CD-CB 4.42Å; K7-E181 WeakPolarHBondContact CE-O 3.37Å; K7-E181 PolarHBondContact NZ-O 3.42Å; K7-N182 WeakPolarHBondContact CB-OD1 3.3Å; K7-N182 PolarHBondContact N-OD1 3.36Å; K7-N182 VanDerWaalsContact N-OD1 3.13Å
8L95.4Very high96.1Very high34 Ų3455.6 Ų55.618%0.17828%0.277CS..SBendtrans-89.2-25.6-175.6-60.6-179.3000113.1T6 A50 G52 W53T6-L8 PolarHBondContact O-N 3.17Å; T6-L8 PolarHBondContact OG1-N 3.13Å; L8-A50 HydrophobicContact CD1-CB 3.82Å; L8-G52 CarbonylContact O-C 3.43Å; L8-G52 WeakPolarHBondContact O-CA 3.28Å; L8-W53 HydrophobicContact CB-CE3 3.98Å; L8-W53 HydrophobicContact CB-CH2 3.78Å; L8-W53 HydrophobicContact CB-CZ3 3.41Å; L8-W53 VanDerWaalsContact CB-CZ3 3.41Å; L8-W53 HydrophobicContact CD1-CZ3 4.1Å; L8-W53 HydrophobicContact CG-CZ3 4.42Å; L8-W53 PolarHBondContact O-N 3.01Å
9G96.6Very high96.1Very high6 Ų657.7 Ų57.76%0.06229%0.285CS..  trans157.9-178.6179.900000113.4T6T6-G9 PolarHBondContact N-O 3.16Å; T6-G9 PolarHBondContact OG1-N 2.86Å; T6-G9 VanDerWaalsContact OG1-N 3.12Å; T6-G9 PolarHBondContact OG1-O 2.84Å
10R98.1Very high96Very high108 Ų10858.3 Ų58.341%0.40831%0.306SS..EExtended strand (participates in β ladder)trans-85.4140.9179.8-66.3174.758.2-163.9-1.6111.4E3 V4 W53 L56 R57E3-R10 IonicContact OE2-CZ 3.75Å; E3-R10 IonicContact OE2-NH2 2.67Å; E3-R10 PolarHBondContact OE2-NH2 2.83Å; V4-R10 WeakPolarHBondContact O-CA 3.23Å; R10-W53 PolarHBondContact O-NE1 3.12Å; R10-L56 HydrophobicContact CB-CD1 3.76Å; R10-R57 PolarHBondContact O-N 2.89Å
11L98.4Very high96Very high0 Ų058.4 Ų58.40%030%0.304CS..EExtended strand (participates in β ladder)trans-121141.4176.9-63.8166000110.3E3 V4 T6 F28 V31 W53 R57 A59 F186E3-L11 VanDerWaalsContact CA-O 3.23Å; E3-L11 WeakPolarHBondContact CA-O 3.37Å; V4-L11 PolarHBondContact N-O 3.22Å; V4-L11 PolarHBondContact O-N 2.83Å; T6-L11 HydrophobicContact CG2-CD1 3.76Å; L11-F28 HydrophobicContact CB-CD1 3.95Å; L11-F28 HydrophobicContact CB-CE1 4.29Å; L11-V31 HydrophobicContact CD1-CG1 3.88Å; L11-V31 HydrophobicContact CD1-CG2 3.92Å; L11-V31 HydrophobicContact CD2-CG2 4.46Å; L11-W53 HydrophobicContact CD2-CH2 4.02Å; L11-W53 HydrophobicContact CD2-CZ2 3.46Å; L11-W53 VanDerWaalsContact CD2-CZ2 3.46Å; L11-W53 HydrophobicContact CG-CH2 4.44Å; L11-W53 HydrophobicContact CG-CZ2 3.81Å; L11-R57 CarbonylContact C-O 3.58Å; L11-R57 WeakPolarHBondContact CA-O 3.21Å; L11-R57 HydrophobicContact CD2-CB 4.15Å; L11-R57 HydrophobicContact CD2-CG 4.31Å; L11-A59 HydrophobicContact CB-CB 4.37Å; L11-A59 HydrophobicContact CD2-CB 4.03Å; L11-F186 HydrophobicContact CD1-CE1 4.32Å; L11-F186 HydrophobicContact CD1-CZ 3.83Å
12R98.6Very high96.3Very high109 Ų10962.9 Ų62.941%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-105.5116.9165176.5178.5-71.4170.9-0.3108.7A1 E3 L56 R57 A59A1-R12 HydrophobicContact CB-CG 3.81Å; E3-R12 IonicContact OE1-NE 2.87Å; E3-R12 IonicContact OE1-NH2 3.25Å; R12-L56 HydrophobicContact CB-CD1 4.02Å; R12-L56 HydrophobicContact CB-CD2 4.14Å; R12-L56 HydrophobicContact CB-CG 4.06Å; R12-R57 PolarHBondContact N-O 2.87Å; R12-A59 CarbonylContact O-C 3.49Å; R12-A59 WeakPolarHBondContact O-CA 3.4Å; R12-A59 WeakPolarHBondContact O-CB 3.11Å; R12-A59 PolarHBondContact O-N 2.93Å
13G98.3Very high96.1Very high0 Ų063.6 Ų63.60%031%0.313CS..  trans-98.4-165.9173.800000112.5A1 P2 A27A1-G13 WeakPolarHBondContact CB-O 3.45Å; P2-G13 WeakPolarHBondContact CD-O 3.43Å; P2-G13 PolarHBondContact O-N 2.67Å; G13-A27 CarbonylContact C-O 3.21Å; G13-A27 WeakPolarHBondContact CA-O 3.41Å
14Q97.7Very high96Very high65 Ų6559.4 Ų59.430%0.30429%0.294SS..EExtended strand (participates in β ladder)trans-132.3159177.461.1-174.6-20.100112V16 H26 A27 L29 T60Q14-V16 HydrophobicContact CG-CG2 4.31Å; Q14-H26 CarbonylContact O-C 3.54Å; Q14-H26 WeakPolarHBondContact O-CA 3.28Å; Q14-A27 HydrophobicContact CG-CB 4.15Å; Q14-A27 PolarHBondContact N-O 2.93Å; Q14-A27 PolarHBondContact O-N 2.95Å; Q14-L29 VanDerWaalsContact NE2-CD1 3.27Å; Q14-T60 HydrophobicContact CB-CG2 3.92Å; Q14-T60 HydrophobicContact CG-CG2 4.36Å; Q14-T60 PolarHBondContact NE2-O 3.31Å
15Y97.6Very high96.1Very high118 Ų11858.7 Ų58.746%0.46329%0.289SS..EExtended strand (participates in β ladder)trans-86.1138.4169177.9-91.7000109.3E22 S23 G24 V25 A103Y15-E22 PolarHBondContact OH-O 2.86Å; Y15-S23 WeakPolarHBondContact CE2-O 3.41Å; Y15-S23 VanDerWaalsContact OH-C 3.31Å; Y15-S23 PolarHBondContact OH-O 2.72Å; Y15-G24 PolarHBondContact OH-N 3.09Å; Y15-V25 WeakPolarHBondContact CA-O 3.16Å; Y15-A103 HydrophobicContact CD2-CB 4.33Å; Y15-A103 HydrophobicContact CE2-CB 4.07Å
16V96.8Very high96.2Very high9 Ų955.3 Ų55.36%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-127.8126.5177.5164.10000108.8Q14 G24 V25 A27 T456Q14-V16 HydrophobicContact CG-CG2 4.31Å; V16-G24 CarbonylContact O-C 3.09Å; V16-G24 VanDerWaalsContact O-CA 3.31Å; V16-G24 WeakPolarHBondContact O-CA 3.24Å; V16-V25 HydrophobicContact CB-CG2 3.72Å; V16-V25 HydrophobicContact CG1-CG2 3.99Å; V16-V25 PolarHBondContact N-O 3.21Å; V16-V25 PolarHBondContact O-N 2.92Å; V16-A27 HydrophobicContact CG2-CB 3.85Å; V16-T456 HydrophobicContact CB-CG2 4.18Å; V16-T456 HydrophobicContact CG1-CG2 3.25Å; V16-T456 HydrophobicContact CG2-CG2 4.05Å
17S96.9Very high96.4Very high62 Ų6255 Ų5543%0.43427%0.272SS..EExtended strand (participates in β ladder)trans-78.4152.8174.350.70000111.3T455S17-T455 PolarHBondContact O-OG1 3.13Å; S17-T455 PolarHBondContact OG-OG1 3.05Å
18V96.9Very high96.6Very high7 Ų748.4 Ų48.44%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-132131.8177.2176.90000108.2G20 K21 V25 A134 A137 Y138 F453V18-G20 PolarHBondContact O-N 3.18Å; V18-K21 HydrophobicContact CB-CB 4.2Å; V18-K21 HydrophobicContact CG1-CB 4.27Å; V18-K21 HydrophobicContact CG1-CG 4.47Å; V18-K21 PolarHBondContact O-N 3.29Å; V18-K21 VanDerWaalsContact O-N 3.14Å; V18-K21 VanDerWaalsContact O-O 3.12Å; V18-V25 HydrophobicContact CG2-CG1 4.47Å; V18-A134 HydrophobicContact CG1-CB 4.33Å; V18-A137 HydrophobicContact CB-CB 4.22Å; V18-A137 HydrophobicContact CG1-CB 4.22Å; V18-A137 HydrophobicContact CG2-CB 3.99Å; V18-Y138 HydrophobicContact CG1-CD2 4.16Å; V18-Y138 HydrophobicContact CG1-CE2 3.76Å; V18-F453 HydrophobicContact CG1-CB 4.07Å
19K96.1Very high96.8Very high97 Ų9747.2 Ų47.242%0.42224%0.237SC..THydrogen-bonded Turntrans-60.9130.2179.6-175.9-170.9177.7-173.20109.6K21 Y138 F453 T455 E469K19-K21 VanDerWaalsContact C-N 3.29Å; K19-K21 PolarHBondContact O-N 3.47Å; K19-Y138 PolarHBondContact O-OH 3.3Å; K19-F453 HydrophobicContact CB-CB 4.33Å; K19-F453 PolarHBondContact N-O 3.2Å; K19-T455 HydrophobicContact CB-CG2 4.44Å; K19-E469 IonicContact NZ-OE1 2.64Å; K19-E469 PolarHBondContact NZ-OE1 2.93Å
20G95.3Very high96.8Very high69 Ų6947.4 Ų47.471%0.71124%0.238SC*.THydrogen-bonded Turntrans78.35.3-179.700000115.2V18V18-G20 PolarHBondContact O-N 3.18Å
21K94.9Very high96.9Very high61 Ų6142.2 Ų42.227%0.26522%0.219SC..EExtended strand (participates in β ladder)trans-134.2106.2176.5-70.7-73.1-176.6146.60110.8V18 K19 S23 G24 A137 Y138V18-K21 HydrophobicContact CB-CB 4.2Å; V18-K21 HydrophobicContact CG1-CB 4.27Å; V18-K21 HydrophobicContact CG1-CG 4.47Å; V18-K21 PolarHBondContact O-N 3.29Å; V18-K21 VanDerWaalsContact O-N 3.14Å; V18-K21 VanDerWaalsContact O-O 3.12Å; K19-K21 VanDerWaalsContact C-N 3.29Å; K19-K21 PolarHBondContact O-N 3.47Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.16Å; K21-G24 PolarHBondContact O-N 3.28Å; K21-A137 HydrophobicContact CB-CB 4.23Å; K21-A137 HydrophobicContact CG-CB 4.19Å; K21-A137 PolarHBondContact NZ-O 3.49Å; K21-A137 VanDerWaalsContact NZ-O 3.15Å; K21-Y138 VanDerWaalsContact CE-CD1 3.49Å; K21-Y138 HydrophobicContact CG-CD1 4.5Å; K21-Y138 HydrophobicContact CG-CD2 3.84Å; K21-Y138 HydrophobicContact CG-CE1 4.25Å; K21-Y138 HydrophobicContact CG-CE2 3.56Å; K21-Y138 HydrophobicContact CG-CG 4.31Å
22E90.9Very high96.9Very high194 Ų19442.7 Ų42.791%0.90722%0.222SC*.EExtended strand (participates in β ladder)trans-60.8-33.8-177.1-65.1-172.8168.100113.5Y15Y15-E22 PolarHBondContact OH-O 2.86Å
23S90.5Very high96.9Very high34 Ų3437.5 Ų37.524%0.23820%0.202CC..EExtended strand (participates in β ladder)trans-74.2-24.6-176.753.40000114.1Y15 K21 A103 N104Y15-S23 WeakPolarHBondContact CE2-O 3.41Å; Y15-S23 VanDerWaalsContact OH-C 3.31Å; Y15-S23 PolarHBondContact OH-O 2.72Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.16Å; S23-A103 WeakPolarHBondContact O-CB 3.22Å; S23-N104 PolarHBondContact OG-OD1 3.27Å
24G96.2Very high96.9Very high0 Ų037.7 Ų37.70%020%0.204CC..EExtended strand (participates in β ladder)trans52.9-152.8-175.600000114Y15 V16 K21 A103Y15-G24 PolarHBondContact OH-N 3.09Å; V16-G24 CarbonylContact O-C 3.09Å; V16-G24 VanDerWaalsContact O-CA 3.31Å; V16-G24 WeakPolarHBondContact O-CA 3.24Å; K21-G24 PolarHBondContact O-N 3.28Å; G24-A103 PolarHBondContact O-N 2.94Å
25V98.4Very high96.9Very high0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-138.6157.5-178.7-55.80000112.8Y15 V16 V18 Y100 S101 S133 A136 A137Y15-V25 WeakPolarHBondContact CA-O 3.16Å; V16-V25 HydrophobicContact CB-CG2 3.72Å; V16-V25 HydrophobicContact CG1-CG2 3.99Å; V16-V25 PolarHBondContact N-O 3.21Å; V16-V25 PolarHBondContact O-N 2.92Å; V18-V25 HydrophobicContact CG2-CG1 4.47Å; V25-Y100 HydrophobicContact CG2-CD1 4.1Å; V25-S101 CarbonylContact C-O 3.46Å; V25-S101 WeakPolarHBondContact CA-O 3.28Å; V25-S101 WeakPolarHBondContact CB-O 3.32Å; V25-S133 WeakPolarHBondContact CG1-O 3.22Å; V25-A136 HydrophobicContact CG1-CB 4Å; V25-A137 HydrophobicContact CG1-CB 3.84Å
26H98.5Very high96.9Very high43 Ų4334 Ų3420%0.19919%0.194CC..EExtended strand (participates in β ladder)trans-91.5120.5161.7-64.8146.5000109.3P2 Q14 F28 S101 R105P2-H26 HydrophobicContact CB-CB 4.09Å; P2-H26 HydrophobicContact CG-CB 3.9Å; Q14-H26 CarbonylContact O-C 3.54Å; Q14-H26 WeakPolarHBondContact O-CA 3.28Å; H26-F28 HydrophobicContact CB-CE2 4.09Å; H26-S101 PolarHBondContact N-O 3.02Å; H26-S101 PolarHBondContact O-N 3.46Å; H26-R105 PolarHBondContact ND1-NH1 3.21Å
27A98.4Very high97Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-107.4136.6178.600000111.6G13 Q14 V16 L29 I99 Y100G13-A27 CarbonylContact C-O 3.21Å; G13-A27 WeakPolarHBondContact CA-O 3.41Å; Q14-A27 HydrophobicContact CG-CB 4.15Å; Q14-A27 PolarHBondContact N-O 2.93Å; Q14-A27 PolarHBondContact O-N 2.95Å; V16-A27 HydrophobicContact CG2-CB 3.85Å; A27-L29 HydrophobicContact CB-CD2 4.34Å; A27-I99 CarbonylContact C-O 3.52Å; A27-I99 VanDerWaalsContact CA-O 3.27Å; A27-I99 WeakPolarHBondContact CA-O 3.44Å; A27-Y100 HydrophobicContact CB-CD1 3.86Å; A27-Y100 HydrophobicContact CB-CE1 3.93Å
28F98.7Very high96.9Very high0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-126.1109.7172.9-58.7-97.2000107.9P2 V4 L11 H26 V31 A59 N98 I99 F186P2-F28 HydrophobicContact CB-CZ 4.04Å; P2-F28 HydrophobicContact CG-CZ 4.18Å; V4-F28 HydrophobicContact CB-CE1 4.01Å; V4-F28 HydrophobicContact CB-CZ 4.03Å; V4-F28 HydrophobicContact CG2-CE1 3.89Å; V4-F28 HydrophobicContact CG2-CE2 4.07Å; V4-F28 HydrophobicContact CG2-CZ 3.38Å; L11-F28 HydrophobicContact CB-CD1 3.95Å; L11-F28 HydrophobicContact CB-CE1 4.29Å; H26-F28 HydrophobicContact CB-CE2 4.09Å; F28-V31 HydrophobicContact CB-CG2 4.04Å; F28-A59 CarbonylContact C-O 3.51Å; F28-A59 WeakPolarHBondContact CA-O 3.18Å; F28-A59 HydrophobicContact CB-CB 4.29Å; F28-A59 HydrophobicContact CD1-CB 4.47Å; F28-N98 CarbonylContact O-C 3.55Å; F28-N98 WeakPolarHBondContact O-CA 3.48Å; F28-I99 HydrophobicContact CB-CB 4.37Å; F28-I99 PolarHBondContact N-O 3.02Å; F28-I99 PolarHBondContact O-N 3.05Å; F28-F186 HydrophobicContact CB-CE1 4.2Å; F28-F186 HydrophobicContact CD1-CE1 4.08Å; F28-F186 AromaticContact CD2-CD1 3.67Å; F28-F186 HydrophobicContact CD2-CD1 3.67Å; F28-F186 AromaticContact CD2-CE1 3.63Å; F28-F186 HydrophobicContact CD2-CE1 3.63Å; F28-F186 HydrophobicContact CE1-CE1 4.37Å; F28-F186 AromaticContact CE2-CD1 3.78Å; F28-F186 HydrophobicContact CE2-CD1 3.78Å; F28-F186 AromaticContact CE2-CE1 3.97Å; F28-F186 HydrophobicContact CE2-CE1 3.97Å; F28-F186 HydrophobicContact CG-CD1 4.24Å; F28-F186 AromaticContact CG-CE1 3.7Å; F28-F186 HydrophobicContact CG-CE1 3.7Å; F28-F186 HydrophobicContact CZ-CD1 4.42Å; F28-F186 HydrophobicContact CZ-CE1 4.33Å
29L98.4Very high96.5Very high10 Ų1036.1 Ų36.15%0.05221%0.207CC..EExtended strand (participates in β ladder)trans-106.5142.1-171.8-51.3-177.5000110.5Q14 A27 A59 K61 Q62 N98 Y100Q14-L29 VanDerWaalsContact NE2-CD1 3.27Å; A27-L29 HydrophobicContact CB-CD2 4.34Å; L29-A59 PolarHBondContact N-O 3.13Å; L29-A59 CarbonylContact O-C 3.59Å; L29-A59 WeakPolarHBondContact O-CA 3.47Å; L29-A59 WeakPolarHBondContact O-CB 3.44Å; L29-K61 CarbonylContact C-O 3.5Å; L29-K61 WeakPolarHBondContact CB-O 3.49Å; L29-Q62 HydrophobicContact CD1-CG 4.43Å; L29-N98 VanDerWaalsContact CA-OD1 3.29Å; L29-N98 WeakPolarHBondContact CA-OD1 3.21Å; L29-N98 HydrophobicContact CD2-CB 3.91Å; L29-Y100 HydrophobicContact CD2-CE1 4.42Å; L29-Y100 HydrophobicContact CD2-CE2 4.42Å
30G98Very high96.2Very high9 Ų934.6 Ų34.69%0.09321%0.207CC..EExtended strand (participates in β ladder)trans67.440.9175.800000114Y96 L97 N98G30-Y96 VanDerWaalsContact O-CD1 3.23Å; G30-Y96 WeakPolarHBondContact O-CD1 3.31Å; G30-L97 PolarHBondContact N-O 3.15Å; G30-N98 PolarHBondContact N-OD1 3.18Å
31V98.7Very high96Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-82.4120.8176.7-174.90000109.5L11 F28 F33 A59 Y96 L97 W178L11-V31 HydrophobicContact CD1-CG1 3.88Å; L11-V31 HydrophobicContact CD1-CG2 3.92Å; L11-V31 HydrophobicContact CD2-CG2 4.46Å; F28-V31 HydrophobicContact CB-CG2 4.04Å; V31-F33 PolarHBondContact O-N 3.31Å; V31-A59 HydrophobicContact CG2-CB 4.44Å; V31-Y96 CarbonylContact O-C 3.57Å; V31-Y96 WeakPolarHBondContact O-CA 3.33Å; V31-L97 HydrophobicContact CB-CD1 3.92Å; V31-L97 HydrophobicContact CG1-CD1 4.42Å; V31-L97 PolarHBondContact N-O 3.38Å; V31-L97 PolarHBondContact O-N 3.36Å; V31-W178 HydrophobicContact CG1-CH2 4.01Å; V31-W178 HydrophobicContact CG1-CZ2 3.55Å
32P98.5Very high96.1Very high10 Ų1035.7 Ų35.77%0.06520%0.203CC..EExtended strand (participates in β ladder)trans-72.4129.8-177.827.6-33000110.9A50 W53 Y96 W178P32-A50 HydrophobicContact CB-CB 4.29Å; P32-W53 HydrophobicContact CG-CE3 4.45Å; P32-W53 HydrophobicContact CG-CH2 4.49Å; P32-W53 HydrophobicContact CG-CZ3 3.86Å; P32-Y96 HydrophobicContact CB-CD1 3.97Å; P32-Y96 HydrophobicContact CB-CE1 3.74Å; P32-Y96 HydrophobicContact CG-CE1 4.38Å; P32-W178 PolarHBondContact O-NE1 2.97Å
33F98.7Very high96.3Very high0 Ų027.4 Ų27.40%016%0.164CC..  trans-108.7-17.1175.569.9-102.9000113.3V31 A50 L95 Y96 L97 Q147 D171 Q174 A175 W178V31-F33 PolarHBondContact O-N 3.31Å; F33-A50 PolarHBondContact O-N 2.85Å; F33-L95 WeakPolarHBondContact CD1-O 3.41Å; F33-L95 HydrophobicContact CE1-CB 4.13Å; F33-L95 HydrophobicContact CE2-CB 4.12Å; F33-L95 HydrophobicContact CZ-CB 3.78Å; F33-L95 HydrophobicContact CZ-CD2 3.98Å; F33-L95 HydrophobicContact CZ-CG 4.4Å; F33-L95 PolarHBondContact N-O 3.28Å; F33-Y96 WeakPolarHBondContact CE1-O 3.48Å; F33-L97 HydrophobicContact CB-CD2 3.81Å; F33-L97 HydrophobicContact CB-CG 4.41Å; F33-L97 HydrophobicContact CD1-CB 4.23Å; F33-L97 HydrophobicContact CD1-CD2 4.02Å; F33-L97 HydrophobicContact CD1-CG 4.18Å; F33-L97 HydrophobicContact CG-CD2 4.23Å; F33-Q147 WeakPolarHBondContact CE1-O 3.2Å; F33-Q147 VanDerWaalsContact CZ-O 3.28Å; F33-Q147 WeakPolarHBondContact CZ-O 3.29Å; F33-D171 HydrophobicContact CE2-CB 4.45Å; F33-D171 VanDerWaalsContact CE2-O 3.3Å; F33-D171 WeakPolarHBondContact CE2-O 3.16Å; F33-D171 HydrophobicContact CZ-CB 4.44Å; F33-Q174 HydrophobicContact CD2-CB 4.35Å; F33-Q174 HydrophobicContact CD2-CG 4.07Å; F33-Q174 HydrophobicContact CE2-CB 4.37Å; F33-Q174 HydrophobicContact CE2-CG 4.45Å; F33-Q174 PolarHBondContact O-NE2 2.81Å; F33-A175 HydrophobicContact CD1-CB 4.16Å; F33-A175 HydrophobicContact CD2-CB 3.83Å; F33-A175 HydrophobicContact CE1-CB 4.19Å; F33-A175 HydrophobicContact CE2-CB 3.9Å; F33-A175 HydrophobicContact CG-CB 3.98Å; F33-A175 HydrophobicContact CZ-CB 4.07Å; F33-W178 HydrophobicContact CB-CB 3.85Å; F33-W178 HydrophobicContact CB-CD2 4.4Å; F33-W178 HydrophobicContact CB-CG 3.76Å
34A98.7Very high96.6Very high3 Ų325.9 Ų25.93%0.02515%0.153CC..BIsolated β-bridgetrans-137.9165.317700000111.3P47 Q48 L95 Q174A34-P47 HydrophobicContact CB-CB 4.08Å; A34-Q48 CarbonylContact C-O 3.51Å; A34-Q48 WeakPolarHBondContact CA-O 3.48Å; A34-Q48 VanDerWaalsContact CB-O 3.3Å; A34-Q48 WeakPolarHBondContact CB-O 3.45Å; A34-L95 HydrophobicContact CB-CB 3.94Å; A34-L95 HydrophobicContact CB-CD1 3.63Å; A34-L95 HydrophobicContact CB-CG 4.44Å; A34-Q174 HydrophobicContact CB-CG 3.99Å
35K98.4Very high96.6Very high58 Ų5827.2 Ų27.225%0.25216%0.164SC..  trans-63.5144.5166.8-59.2-160.7-173.1-165.70109.7L42 Q48 P49 E51K35-L42 HydrophobicContact CB-CD1 4.45Å; K35-Q48 HydrophobicContact CB-CB 4.4Å; K35-Q48 HydrophobicContact CD-CB 4.11Å; K35-Q48 HydrophobicContact CG-CB 4Å; K35-Q48 PolarHBondContact N-O 2.8Å; K35-P49 WeakPolarHBondContact CG-O 3.36Å; K35-E51 HydrophobicContact CD-CG 4.3Å; K35-E51 VanDerWaalsContact CE-OE1 3.29Å; K35-E51 WeakPolarHBondContact CE-OE1 3.15Å; K35-E51 HydrophobicContact CG-CG 4.48Å; K35-E51 IonicContact NZ-OE1 3.54Å; K35-E51 PolarHBondContact NZ-OE1 2.69Å
36P98Very high96.6Very high48 Ų4829.9 Ų29.931%0.31219%0.186SC..  trans-54.6125.2171.1-25.735.3000110.5L38 L42 D93P36-L38 HydrophobicContact CB-CD1 3.7Å; P36-L38 HydrophobicContact CB-CG 3.66Å; P36-L38 PolarHBondContact O-N 3.15Å; P36-L42 WeakPolarHBondContact O-CD1 3.44Å; P36-D93 HydrophobicContact CB-CB 3.96Å; P36-D93 WeakPolarHBondContact CB-OD1 3.39Å; P36-D93 HydrophobicContact CG-CB 4.49Å; P36-D93 WeakPolarHBondContact CG-OD1 3.34Å
37P97.1Very high96.6Very high6 Ų628.8 Ų28.84%0.03918%0.183CC..  trans-79.453.8-175.933.5-36.9000111.8E92 L95 R149P37-E92 VanDerWaalsContact CD-O 3.27Å; P37-E92 WeakPolarHBondContact CD-O 3.34Å; P37-E92 VanDerWaalsContact CG-O 3.28Å; P37-E92 WeakPolarHBondContact CG-O 3.41Å; P37-L95 HydrophobicContact CB-CD1 4.4Å; P37-L95 HydrophobicContact CG-CD1 3.95Å; P37-L95 HydrophobicContact CG-CG 4.14Å; P37-R149 HydrophobicContact CG-CG 4.37Å
38L95.4Very high96.6Very high86 Ų8632.9 Ų32.945%0.4520%0.202SC..  trans-93.4148.1-169.2-59.8177.4000113.2P36 E92 D93P36-L38 HydrophobicContact CB-CD1 3.7Å; P36-L38 HydrophobicContact CB-CG 3.66Å; P36-L38 PolarHBondContact O-N 3.15Å; L38-E92 HydrophobicContact CD2-CB 3.6Å; L38-D93 HydrophobicContact CD2-CB 4.31Å
39G89.8Confident96.6Very high30 Ų3036.8 Ų36.831%0.30923%0.227SC..Hα-helixtrans66.9-179.3172.200000113.6T41 L42 R43G39-T41 PolarHBondContact O-N 3.49Å; G39-T41 VanDerWaalsContact O-N 3.09Å; G39-L42 PolarHBondContact O-N 2.86Å; G39-R43 WeakPolarHBondContact O-CB 3.4Å; G39-R43 PolarHBondContact O-N 2.82Å
40P89.1Confident96.5Very high65 Ų6536.9 Ų36.942%0.42223%0.229SC..Hα-helixtrans-66.5-19.3-170.325.1-34.6000113.9R269P40-R269 HydrophobicContact CB-CB 4.06Å; P40-R269 WeakPolarHBondContact O-CD 3.41Å
41T90.9Very high96.4Very high119 Ų11942.7 Ų42.773%0.7325%0.254SS*.Hα-helixtrans-79.8-36.9-178.9-48.10000113G39G39-T41 PolarHBondContact O-N 3.49Å; G39-T41 VanDerWaalsContact O-N 3.09Å
42L96.6Very high96.2Very high34 Ų3445.2 Ų45.218%0.17828%0.28CS..Hα-helixtrans-114-15.4-173.9-61.4177.6000113.4K35 P36 G39 A45 Q48K35-L42 HydrophobicContact CB-CD1 4.45Å; P36-L42 WeakPolarHBondContact O-CD1 3.44Å; G39-L42 PolarHBondContact O-N 2.86Å; L42-A45 PolarHBondContact O-N 2.85Å; L42-Q48 HydrophobicContact CD2-CG 4.38Å
43R96.4Very high96.1Very high20 Ų2046.5 Ų46.58%0.07528%0.284CS..THydrogen-bonded Turntrans-69.2136.8169.6-163.8-168.1-77.1166.4-2.7109.6G39 A45 E92 L153 M268 R269 L271G39-R43 WeakPolarHBondContact O-CB 3.4Å; G39-R43 PolarHBondContact O-N 2.82Å; R43-A45 PolarHBondContact O-N 2.82Å; R43-E92 IonicContact CZ-OE1 2.99Å; R43-E92 IonicContact CZ-OE2 2.66Å; R43-E92 IonicContact NE-OE1 2.65Å; R43-E92 PolarHBondContact NE-OE1 2.77Å; R43-E92 IonicContact NE-OE2 3.99Å; R43-E92 PolarHBondContact NE-OE2 3.23Å; R43-E92 IonicContact NH2-OE1 2.92Å; R43-E92 PolarHBondContact NH2-OE1 3.48Å; R43-E92 IonicContact NH2-OE2 2.64Å; R43-E92 PolarHBondContact NH2-OE2 3.39Å; R43-L153 HydrophobicContact CG-CD2 3.65Å; R43-M268 PolarHBondContact NH1-O 2.76Å; R43-R269 PolarHBondContact NH1-O 2.88Å; R43-R269 VanDerWaalsContact NH1-O 3.11Å; R43-L271 PolarHBondContact NH1-O 3.3Å; R43-L271 PolarHBondContact NH2-O 3.05Å; R43-L271 VanDerWaalsContact NH2-O 3.14Å
44L95.9Very high96Very high3 Ų355.5 Ų55.52%0.01633%0.326CS..THydrogen-bonded Turntrans54.340.4-176-53178.3000112.6A152 L156 V163 F167 M268 R269L44-A152 WeakPolarHBondContact CD2-O 3.48Å; L44-L156 HydrophobicContact CD1-CD2 3.79Å; L44-L156 HydrophobicContact CD2-CB 4.33Å; L44-L156 HydrophobicContact CD2-CD2 4.46Å; L44-V163 HydrophobicContact CB-CG1 4.28Å; L44-V163 HydrophobicContact CD1-CG1 4.35Å; L44-V163 HydrophobicContact CD1-CG2 4.44Å; L44-F167 VanDerWaalsContact C-CE1 3.43Å; L44-F167 HydrophobicContact CB-CE2 3.85Å; L44-F167 HydrophobicContact CB-CZ 4.04Å; L44-F167 HydrophobicContact CD2-CD2 4.16Å; L44-F167 HydrophobicContact CD2-CE2 3.9Å; L44-F167 HydrophobicContact CG-CE2 4.48Å; L44-F167 WeakPolarHBondContact O-CE1 3.2Å; L44-F167 WeakPolarHBondContact O-CZ 3.39Å; L44-M268 HydrophobicContact CD1-CB 3.82Å; L44-R269 HydrophobicContact CD1-CG 4.42Å
45A96.8Very high95.9Very high28 Ų2857.6 Ų57.623%0.23135%0.348CS..SBendtrans-133.1159.4173.400000110.6L42 R43 R149L42-A45 PolarHBondContact O-N 2.85Å; R43-A45 PolarHBondContact O-N 2.82Å; A45-R149 VanDerWaalsContact O-CZ 3.31Å; A45-R149 PolarHBondContact O-NH1 3.45Å; A45-R149 PolarHBondContact O-NH2 3.09Å
46A97.8Very high95.9Very high55 Ų5557.7 Ų57.746%0.45535%0.351SS..  trans-57.5142.3173.500000111L170A46-L170 HydrophobicContact CB-CD1 3.94Å
47P98.5Very high95.9Very high21 Ų2159.5 Ų59.514%0.13635%0.352CS..  trans-64.1144.8178.730.1-36.4000110.9A34 L95 L170 D171 Q174A34-P47 HydrophobicContact CB-CB 4.08Å; P47-L95 HydrophobicContact CB-CD1 4.26Å; P47-L170 HydrophobicContact CG-CB 4.18Å; P47-L170 WeakPolarHBondContact CG-O 3.47Å; P47-D171 WeakPolarHBondContact CB-OD1 3.43Å; P47-D171 WeakPolarHBondContact CG-OD1 3.46Å; P47-Q174 HydrophobicContact CB-CB 4.14Å; P47-Q174 HydrophobicContact CB-CG 4.2Å; P47-Q174 HydrophobicContact CG-CB 3.71Å; P47-Q174 HydrophobicContact CG-CG 4.26Å
48Q98.3Very high95.9Very high86 Ų8663.4 Ų63.440%0.40237%0.372SS..  trans-104.6149.5172-64.1-175.47.700109.9A34 K35 L42A34-Q48 CarbonylContact C-O 3.51Å; A34-Q48 WeakPolarHBondContact CA-O 3.48Å; A34-Q48 VanDerWaalsContact CB-O 3.3Å; A34-Q48 WeakPolarHBondContact CB-O 3.45Å; K35-Q48 HydrophobicContact CB-CB 4.4Å; K35-Q48 HydrophobicContact CD-CB 4.11Å; K35-Q48 HydrophobicContact CG-CB 4Å; K35-Q48 PolarHBondContact N-O 2.8Å; L42-Q48 HydrophobicContact CD2-CG 4.38Å
49P97.9Very high96Very high82 Ų8259.3 Ų59.353%0.53235%0.351SS..BIsolated β-bridgetrans-55141.3176.3-25.934.5000112.7K35K35-P49 WeakPolarHBondContact CG-O 3.36Å
50A96.9Very high96.4Very high11 Ų1159.8 Ų59.89%0.09135%0.347CS..PPolyproline II helixtrans-58.7146.9176.300000112L8 P32 F33L8-A50 HydrophobicContact CD1-CB 3.82Å; P32-A50 HydrophobicContact CB-CB 4.29Å; F33-A50 PolarHBondContact O-N 2.85Å
51E95.2Very high96.7Very high132 Ų13264 Ų6462%0.61736%0.359SS*.PPolyproline II helixtrans-79.9146.2175-62.6-175.2177.600111K35K35-E51 HydrophobicContact CD-CG 4.3Å; K35-E51 VanDerWaalsContact CE-OE1 3.29Å; K35-E51 WeakPolarHBondContact CE-OE1 3.15Å; K35-E51 HydrophobicContact CG-CG 4.48Å; K35-E51 IonicContact NZ-OE1 3.54Å; K35-E51 PolarHBondContact NZ-OE1 2.69Å
52G95.6Very high97Very high53 Ų5360.2 Ų60.255%0.54633%0.333SS..PPolyproline II helixtrans-67.1148.5172.300000111.7L8L8-G52 CarbonylContact O-C 3.43Å; L8-G52 WeakPolarHBondContact O-CA 3.28Å
53W96.6Very high96.9Very high37 Ų3759 Ų5914%0.1433%0.327CS..  trans-118.8154.1176.462.588.1000111.5L8 R10 L11 P32 R57L8-W53 HydrophobicContact CB-CE3 3.98Å; L8-W53 HydrophobicContact CB-CH2 3.78Å; L8-W53 HydrophobicContact CB-CZ3 3.41Å; L8-W53 VanDerWaalsContact CB-CZ3 3.41Å; L8-W53 HydrophobicContact CD1-CZ3 4.1Å; L8-W53 HydrophobicContact CG-CZ3 4.42Å; L8-W53 PolarHBondContact O-N 3.01Å; R10-W53 PolarHBondContact O-NE1 3.12Å; L11-W53 HydrophobicContact CD2-CH2 4.02Å; L11-W53 HydrophobicContact CD2-CZ2 3.46Å; L11-W53 VanDerWaalsContact CD2-CZ2 3.46Å; L11-W53 HydrophobicContact CG-CH2 4.44Å; L11-W53 HydrophobicContact CG-CZ2 3.81Å; P32-W53 HydrophobicContact CG-CE3 4.45Å; P32-W53 HydrophobicContact CG-CH2 4.49Å; P32-W53 HydrophobicContact CG-CZ3 3.86Å; W53-R57 HydrophobicContact CG-CB 4.48Å; W53-R57 HydrophobicContact CZ2-CB 4.46Å
54Q96.4Very high97Very high188 Ų18860.6 Ų60.688%0.87934%0.337SS*.SBendtrans-93.7147.9174.1-64.3-59.5-4400110.8
55G96.3Very high97.1Very high48 Ų4860.6 Ų60.650%0.49534%0.337SS..SBendtrans77-160.3178.600000114
56L97.6Very high97.1Very high60 Ų6059.4 Ų59.431%0.31433%0.327SS..EExtended strand (participates in β ladder)trans-102.1114.8-176-176.665000109.8E3 R10 R12E3-L56 HydrophobicContact CG-CD1 4.38Å; E3-L56 WeakPolarHBondContact OE1-CD2 3.38Å; R10-L56 HydrophobicContact CB-CD1 3.76Å; R12-L56 HydrophobicContact CB-CD1 4.02Å; R12-L56 HydrophobicContact CB-CD2 4.14Å; R12-L56 HydrophobicContact CB-CG 4.06Å
57R98Very high97.1Very high86 Ų8657.5 Ų57.533%0.32531%0.309SS..EExtended strand (participates in β ladder)trans-88.2135.3175.6179178-176.6118.81.2110.1R10 L11 R12 W53R10-R57 PolarHBondContact O-N 2.89Å; L11-R57 CarbonylContact C-O 3.58Å; L11-R57 WeakPolarHBondContact CA-O 3.21Å; L11-R57 HydrophobicContact CD2-CB 4.15Å; L11-R57 HydrophobicContact CD2-CG 4.31Å; R12-R57 PolarHBondContact N-O 2.87Å; W53-R57 HydrophobicContact CG-CB 4.48Å; W53-R57 HydrophobicContact CZ2-CB 4.46Å
58D98.3Very high96.9Very high87 Ų8756.7 Ų56.747%0.46530%0.304SS..EExtended strand (participates in β ladder)trans-76.5124.6174.6-166.931.9000110.3T60D58-T60 PolarHBondContact OD1-OG1 2.76Å; D58-T60 PolarHBondContact OD2-OG1 3.18Å
59A98.3Very high96.6Very high1 Ų153.8 Ų53.81%0.00829%0.293CS..  trans-127.747.3-177.600000110.1L11 R12 F28 L29 V31L11-A59 HydrophobicContact CB-CB 4.37Å; L11-A59 HydrophobicContact CD2-CB 4.03Å; R12-A59 CarbonylContact O-C 3.49Å; R12-A59 WeakPolarHBondContact O-CA 3.4Å; R12-A59 WeakPolarHBondContact O-CB 3.11Å; R12-A59 PolarHBondContact O-N 2.93Å; F28-A59 CarbonylContact C-O 3.51Å; F28-A59 WeakPolarHBondContact CA-O 3.18Å; F28-A59 HydrophobicContact CB-CB 4.29Å; F28-A59 HydrophobicContact CD1-CB 4.47Å; L29-A59 PolarHBondContact N-O 3.13Å; L29-A59 CarbonylContact O-C 3.59Å; L29-A59 WeakPolarHBondContact O-CA 3.47Å; L29-A59 WeakPolarHBondContact O-CB 3.44Å; V31-A59 HydrophobicContact CG2-CB 4.44Å
60T97Very high96.3Very high39 Ų3951.9 Ų51.924%0.23928%0.277CS..BIsolated β-bridgetrans-116.55.2179.967.40000113.1Q14 D58Q14-T60 HydrophobicContact CB-CG2 3.92Å; Q14-T60 HydrophobicContact CG-CG2 4.36Å; Q14-T60 PolarHBondContact NE2-O 3.31Å; D58-T60 PolarHBondContact OD1-OG1 2.76Å; D58-T60 PolarHBondContact OD2-OG1 3.18Å
61K95.6Very high96Very high155 Ų15557.6 Ų57.667%0.67431%0.306SS*.SBendtrans-118.4141.2-178.9-63-171.5179.8-172.10110.7L29L29-K61 CarbonylContact C-O 3.5Å; L29-K61 WeakPolarHBondContact CB-O 3.49Å
62Q96.6Very high95.8Very high39 Ų3953.6 Ų53.618%0.18229%0.291CS..PPolyproline II helixtrans-61.2140.4173.7-69.7-63.6-5.400110.4L29 P88 N98 S128 H457L29-Q62 HydrophobicContact CD1-CG 4.43Å; Q62-P88 HydrophobicContact CB-CG 3.82Å; Q62-N98 PolarHBondContact OE1-ND2 3.34Å; Q62-S128 PolarHBondContact OE1-OG 3.01Å; Q62-S128 VanDerWaalsContact OE1-OG 3.14Å; Q62-H457 PolarHBondContact NE2-CD2 3.49Å; Q62-H457 PolarHBondContact NE2-CE1 3.04Å; Q62-H457 VanDerWaalsContact NE2-CE1 3.34Å; Q62-H457 PolarHBondContact NE2-NE2 3.11Å
63P96.3Very high95.6Very high8 Ų851.4 Ų51.45%0.05227%0.268CS..PPolyproline II helixtrans-71.8160175.730.6-33.7000111.2M65 P88 Y96P63-M65 PolarHBondContact O-N 2.93Å; P63-P88 VanDerWaalsContact O-CB 3.28Å; P63-P88 WeakPolarHBondContact O-CB 3.39Å; P63-Y96 VanDerWaalsContact CB-CB 3.47Å; P63-Y96 HydrophobicContact CB-CD1 4.49Å; P63-Y96 HydrophobicContact CB-CD2 3.72Å; P63-Y96 HydrophobicContact CB-CG 3.64Å
64N97.3Very high95.3Very high53 Ų5353 Ų5328%0.28328%0.279SS..PPolyproline II helixtrans-57.1138.6167.5-66-27.1000110.2E89 Q147N64-E89 CarbonylContact C-O 3.53Å; N64-E89 WeakPolarHBondContact CA-O 3.23Å; N64-E89 WeakPolarHBondContact CB-O 3.36Å; N64-Q147 PolarHBondContact O-NE2 3.28Å
65M97.3Very high95.1Very high4 Ų448.9 Ų48.92%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-71.5152.4171.9-53-171.7-71.600110.3P63 M70 V87 P88 E89 R90 S91 S126P63-M65 PolarHBondContact O-N 2.93Å; M65-M70 HydrophobicContact CE-CE 3.45Å; M65-M70 VanDerWaalsContact CE-CE 3.45Å; M65-M70 HydrophobicContact CE-SD 3.56Å; M65-M70 VanDerWaalsContact CE-SD 3.56Å; M65-V87 HydrophobicContact CE-CG1 3.79Å; M65-P88 WeakPolarHBondContact CE-O 3.19Å; M65-P88 HydrophobicContact CG-CB 4.15Å; M65-P88 HydrophobicContact CG-CG 4.36Å; M65-E89 PolarHBondContact N-O 3.28Å; M65-R90 CarbonylContact O-C 3.59Å; M65-R90 VanDerWaalsContact O-CA 3.27Å; M65-R90 WeakPolarHBondContact O-CA 3.46Å; M65-S91 PolarHBondContact O-N 3.37Å; M65-S126 WeakPolarHBondContact CG-OG 3.02Å
66C98Very high94.8Very high2 Ų248.5 Ų48.51%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-64.2153.2171.5-62.60000111.3Q68 C94 Y148 L150C66-Q68 WeakPolarHBondContact O-CG 3.35Å; C66-Q68 PolarHBondContact O-N 3.35Å; C66-Q68 VanDerWaalsContact O-N 3.14Å; C66-Q68 PolarHBondContact O-NE2 3.22Å; C66-C94 VanDerWaalsContact CA-CB 3.47Å; C66-C94 WeakPolarHBondContact CA-SG 3.39Å; C66-C94 HydrophobicContact CB-CB 3.81Å; C66-C94 WeakPolarHBondContact CB-SG 3.49Å; C66-C94 WeakPolarHBondContact SG-CB 3.44Å; C66-C94 CovalentContact SG-SG 2.04Å; C66-C94 PolarHBondContact SG-SG 2.88Å; C66-Y148 PolarHBondContact SG-O 3.38Å; C66-L150 HydrophobicContact CB-CD1 4.3Å; C66-L150 HydrophobicContact CB-CG 4.33Å
67I96.7Very high94.4Very high16 Ų1646.9 Ų46.98%0.08224%0.237CC..SBendtrans-51.6119.3178.6-61-53000111.3R90 S91 E92 L153 T273 L277I67-R90 HydrophobicContact CD1-CB 4.29Å; I67-R90 HydrophobicContact CD1-CG 4.24Å; I67-S91 VanDerWaalsContact CD1-C 3.47Å; I67-S91 PolarHBondContact N-O 3.48Å; I67-E92 HydrophobicContact CD1-CG 4.41Å; I67-E92 HydrophobicContact CG1-CG 3.66Å; I67-L153 HydrophobicContact CB-CD1 3.93Å; I67-L153 HydrophobicContact CG1-CD1 3.97Å; I67-L153 HydrophobicContact CG2-CD1 4.39Å; I67-T273 HydrophobicContact CB-CG2 4.48Å; I67-T273 HydrophobicContact CD1-CG2 3.44Å; I67-T273 VanDerWaalsContact CD1-CG2 3.44Å; I67-T273 HydrophobicContact CG1-CG2 3.85Å; I67-T273 HydrophobicContact CG2-CG2 3.78Å; I67-L277 HydrophobicContact CG2-CD1 4.27Å; I67-L277 HydrophobicContact CG2-CD2 3.61Å; I67-L277 HydrophobicContact CG2-CG 3.79Å
68Q94.6Very high94.1Very high4 Ų447.6 Ų47.62%0.01925%0.248CC..  trans-158.5169.8-178.564.2-165.3-82.400111.2C66 M70 R90 V123 V124 G125 L277C66-Q68 WeakPolarHBondContact O-CG 3.35Å; C66-Q68 PolarHBondContact O-N 3.35Å; C66-Q68 VanDerWaalsContact O-N 3.14Å; C66-Q68 PolarHBondContact O-NE2 3.22Å; Q68-M70 PolarHBondContact O-N 3.14Å; Q68-R90 PolarHBondContact O-NH1 3.07Å; Q68-R90 VanDerWaalsContact O-NH1 3.15Å; Q68-V123 WeakPolarHBondContact CB-O 3.27Å; Q68-V124 VanDerWaalsContact OE1-CA 3.28Å; Q68-G125 PolarHBondContact NE2-O 2.58Å; Q68-G125 PolarHBondContact OE1-O 2.85Å; Q68-L277 WeakPolarHBondContact O-CD2 3.44Å
69S92.2Very high93.6Very high25 Ų2545 Ų4518%0.17523%0.232CC..  trans-76118.7173.3175.30000109.9D71 V72 A73S69-D71 VanDerWaalsContact C-N 3.33Å; S69-V72 PolarHBondContact O-N 3.47Å; S69-V72 PolarHBondContact OG-N 3.01Å; S69-A73 WeakPolarHBondContact O-CB 3.42Å; S69-A73 PolarHBondContact O-N 3.44Å
70M91.8Very high93.2Very high41 Ų4145.5 Ų45.520%0.20224%0.235CC..Hα-helixtrans-70.6-30.2177.7-68.7-50.9-56.100112.4M65 Q68 A73 N74 V87M65-M70 HydrophobicContact CE-CE 3.45Å; M65-M70 VanDerWaalsContact CE-CE 3.45Å; M65-M70 HydrophobicContact CE-SD 3.56Å; M65-M70 VanDerWaalsContact CE-SD 3.56Å; Q68-M70 PolarHBondContact O-N 3.14Å; M70-A73 HydrophobicContact CE-CB 4.47Å; M70-A73 PolarHBondContact O-N 2.9Å; M70-N74 VanDerWaalsContact O-CB 3.25Å; M70-N74 WeakPolarHBondContact O-CB 3.45Å; M70-N74 PolarHBondContact O-N 3.46Å; M70-N74 PolarHBondContact O-ND2 2.95Å; M70-N74 VanDerWaalsContact O-ND2 3.15Å; M70-V87 HydrophobicContact CE-CG1 3.61Å
71D91.1Very high92.7Very high131 Ų13143.7 Ų43.770%0.70122%0.224SC*.Hα-helixtrans-62.2-46.9175.7-61.1-26.9000110.3S69 N74 E75S69-D71 VanDerWaalsContact C-N 3.33Å; D71-N74 PolarHBondContact O-N 3.28Å; D71-E75 WeakPolarHBondContact O-CB 3.27Å; D71-E75 PolarHBondContact O-N 2.83Å
72V89.8Confident92.3Very high49 Ų4936.9 Ų36.930%0.29720%0.195SC..Hα-helixtrans-69.2-38.6177.9-177.10000111.5S69 L76 R280S69-V72 PolarHBondContact O-N 3.47Å; S69-V72 PolarHBondContact OG-N 3.01Å; V72-L76 WeakPolarHBondContact O-CB 3.15Å; V72-L76 PolarHBondContact O-N 2.83Å; V72-R280 VanDerWaalsContact CG1-NH2 3.26Å
73A91.9Very high91.8Very high7 Ų739.2 Ų39.26%0.05821%0.208CC..Hα-helixtrans-61.8-47176.500000111.4S69 M70 L76 I77 V124S69-A73 WeakPolarHBondContact O-CB 3.42Å; S69-A73 PolarHBondContact O-N 3.44Å; M70-A73 HydrophobicContact CE-CB 4.47Å; M70-A73 PolarHBondContact O-N 2.9Å; A73-L76 PolarHBondContact O-N 3.19Å; A73-I77 WeakPolarHBondContact O-CD1 3.3Å; A73-I77 VanDerWaalsContact O-CG1 3.27Å; A73-I77 WeakPolarHBondContact O-CG1 3.2Å; A73-I77 PolarHBondContact O-N 3Å; A73-V124 HydrophobicContact CB-CG2 3.59Å
74N91.4Very high91.4Very high71 Ų7140.1 Ų40.138%0.3821%0.212SC..Hα-helixtrans-67.5-40179.8-70-24.6000112M70 D71 L76 I77 D78M70-N74 VanDerWaalsContact O-CB 3.25Å; M70-N74 WeakPolarHBondContact O-CB 3.45Å; M70-N74 PolarHBondContact O-N 3.46Å; M70-N74 PolarHBondContact O-ND2 2.95Å; M70-N74 VanDerWaalsContact O-ND2 3.15Å; D71-N74 PolarHBondContact O-N 3.28Å; N74-L76 VanDerWaalsContact C-N 3.32Å; N74-L76 PolarHBondContact O-N 2.82Å; N74-I77 PolarHBondContact O-N 3.47Å; N74-D78 PolarHBondContact O-N 3.27Å
75E90.6Very high90.6Very high101 Ų10142.1 Ų42.147%0.47223%0.23SC..Hα-helixtrans-59.1-44.6173.5-173-169.8160.700111.2D71 D78 K79D71-E75 WeakPolarHBondContact O-CB 3.27Å; D71-E75 PolarHBondContact O-N 2.83Å; E75-D78 PolarHBondContact O-N 3.49Å; E75-K79 HydrophobicContact CG-CD 4.44Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 3.34Å; E75-K79 WeakPolarHBondContact OE1-CE 3.31Å; E75-K79 IonicContact OE1-NZ 3.84Å; E75-K79 PolarHBondContact OE1-NZ 2.92Å
76L90.4Very high90.1Very high40 Ų4049.5 Ų49.521%0.20927%0.265CS..Hα-helixtrans-63.4-45.1176.9-179.660.4000111.6V72 A73 N74 D78 K79 L80 V124 V326 L442V72-L76 WeakPolarHBondContact O-CB 3.15Å; V72-L76 PolarHBondContact O-N 2.83Å; A73-L76 PolarHBondContact O-N 3.19Å; N74-L76 VanDerWaalsContact C-N 3.32Å; N74-L76 PolarHBondContact O-N 2.82Å; L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 3.48Å; L76-K79 PolarHBondContact O-N 2.88Å; L76-L80 HydrophobicContact CD1-CD1 4.01Å; L76-L80 HydrophobicContact CD1-CG 4.17Å; L76-L80 HydrophobicContact CG-CD1 4.01Å; L76-L80 WeakPolarHBondContact O-CB 3.37Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.23Å; L76-L80 PolarHBondContact O-N 2.91Å; L76-V124 HydrophobicContact CD2-CG1 4.17Å; L76-V326 HydrophobicContact CD1-CG1 4.09Å; L76-L442 HydrophobicContact CD1-CD1 4.43Å
77I90.4Very high89.5Confident25 Ų2552.3 Ų52.313%0.12828%0.282CS..Hα-helixtrans-58.2-43.9177.1-70.8159.4000111A73 N74 L80 G81 L82 I84A73-I77 WeakPolarHBondContact O-CD1 3.3Å; A73-I77 VanDerWaalsContact O-CG1 3.27Å; A73-I77 WeakPolarHBondContact O-CG1 3.2Å; A73-I77 PolarHBondContact O-N 3Å; N74-I77 PolarHBondContact O-N 3.47Å; I77-L80 CarbonylContact O-C 3.58Å; I77-L80 PolarHBondContact O-N 2.91Å; I77-G81 PolarHBondContact O-N 3.26Å; I77-G81 VanDerWaalsContact O-N 3.16Å; I77-L82 HydrophobicContact CG2-CB 4.22Å; I77-L82 PolarHBondContact O-N 2.98Å; I77-I84 HydrophobicContact CD1-CD1 3.68Å; I77-I84 HydrophobicContact CG1-CD1 3.9Å; I77-I84 HydrophobicContact CG2-CD1 4.08Å; I77-I84 HydrophobicContact CG2-CG1 4.21Å
78D89.7Confident89.3Confident101 Ų10152.4 Ų52.454%0.5428%0.284SS..Hα-helixtrans-67.6-43.1178.7-179.454.2000112.7N74 E75 L76 L80 G81 R432N74-D78 PolarHBondContact O-N 3.27Å; E75-D78 PolarHBondContact O-N 3.49Å; L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 3.48Å; D78-L80 PolarHBondContact O-N 2.83Å; D78-G81 PolarHBondContact O-N 2.69Å; D78-R432 PolarHBondContact O-NH1 2.81Å; D78-R432 IonicContact OD1-NH1 2.81Å; D78-R432 PolarHBondContact OD1-NH1 2.79Å
79K89.8Confident89.3Confident32 Ų3259.6 Ų59.614%0.13932%0.317CS..Hα-helixtrans-59.8-32.6173.4-75.3-177.7-177.31800112.3E75 L76 G81 F325 D329 Q429E75-K79 HydrophobicContact CG-CD 4.44Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 3.34Å; E75-K79 WeakPolarHBondContact OE1-CE 3.31Å; E75-K79 IonicContact OE1-NZ 3.84Å; E75-K79 PolarHBondContact OE1-NZ 2.92Å; L76-K79 PolarHBondContact O-N 2.88Å; K79-G81 VanDerWaalsContact C-N 3.28Å; K79-F325 HydrophobicContact CB-CE1 4.41Å; K79-F325 HydrophobicContact CD-CE1 4.39Å; K79-F325 HydrophobicContact CG-CE1 4.16Å; K79-D329 WeakPolarHBondContact CE-OD2 3.29Å; K79-D329 IonicContact NZ-OD2 3.56Å; K79-D329 PolarHBondContact NZ-OD2 3.48Å; K79-Q429 PolarHBondContact O-NE2 3.01Å; K79-Q429 PolarHBondContact O-OE1 3.48Å
80L88.6Confident89.4Confident12 Ų1262.8 Ų62.86%0.06333%0.325CS..THydrogen-bonded Turntrans-81.4-4.1175.4-67.4177.2000113.6L76 I77 D78 L82 F428 Q429 L442 F446L76-L80 HydrophobicContact CD1-CD1 4.01Å; L76-L80 HydrophobicContact CD1-CG 4.17Å; L76-L80 HydrophobicContact CG-CD1 4.01Å; L76-L80 WeakPolarHBondContact O-CB 3.37Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.23Å; L76-L80 PolarHBondContact O-N 2.91Å; I77-L80 CarbonylContact O-C 3.58Å; I77-L80 PolarHBondContact O-N 2.91Å; D78-L80 PolarHBondContact O-N 2.83Å; L80-L82 HydrophobicContact CB-CD1 4.16Å; L80-L82 HydrophobicContact CB-CG 4.14Å; L80-L82 HydrophobicContact CD1-CD1 4.46Å; L80-L82 PolarHBondContact O-N 2.99Å; L80-F428 WeakPolarHBondContact O-CE2 3.46Å; L80-Q429 VanDerWaalsContact C-NE2 3.33Å; L80-Q429 PolarHBondContact O-NE2 3.27Å; L80-Q429 VanDerWaalsContact O-NE2 3.1Å; L80-L442 HydrophobicContact CD1-CD1 3.99Å; L80-L442 HydrophobicContact CD2-CB 3.96Å; L80-L442 HydrophobicContact CD2-CD1 3.75Å; L80-L442 HydrophobicContact CD2-CG 4.45Å; L80-L442 HydrophobicContact CG-CD1 4.4Å; L80-F446 HydrophobicContact CB-CZ 4.13Å; L80-F446 HydrophobicContact CD2-CE2 4.5Å; L80-F446 HydrophobicContact CD2-CZ 4Å; L80-F446 WeakPolarHBondContact O-CZ 3.42Å
81G87.3Confident89.6Confident1 Ų162.4 Ų62.41%0.0133%0.326CS..THydrogen-bonded Turntrans6225.8176.500000114I77 D78 K79 T461I77-G81 PolarHBondContact O-N 3.26Å; I77-G81 VanDerWaalsContact O-N 3.16Å; D78-G81 PolarHBondContact O-N 2.69Å; K79-G81 VanDerWaalsContact C-N 3.28Å; G81-T461 WeakPolarHBondContact O-CG2 3.2Å; G81-T461 PolarHBondContact O-N 3.23Å; G81-T461 PolarHBondContact O-OG1 3.24Å
82L86.6Confident89.9Confident12 Ų1257 Ų576%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-89.1135.6179.5-71.3176.2000110.8I77 L80 F446 Y451 L460I77-L82 HydrophobicContact CG2-CB 4.22Å; I77-L82 PolarHBondContact O-N 2.98Å; L80-L82 HydrophobicContact CB-CD1 4.16Å; L80-L82 HydrophobicContact CB-CG 4.14Å; L80-L82 HydrophobicContact CD1-CD1 4.46Å; L80-L82 PolarHBondContact O-N 2.99Å; L82-F446 HydrophobicContact CD2-CD1 4.5Å; L82-F446 HydrophobicContact CD2-CE1 3.9Å; L82-F446 HydrophobicContact CG-CE1 4.19Å; L82-Y451 HydrophobicContact CD2-CD1 3.77Å; L82-Y451 HydrophobicContact CD2-CE1 3.38Å; L82-L460 HydrophobicContact CD2-CD2 4.19Å
83L86.2Confident90.3Very high88 Ų8856.5 Ų56.546%0.46129%0.293SS..EExtended strand (participates in β ladder)trans-98.1114.4165.2-63.6175.9000108.5A458 I459 T461L83-A458 WeakPolarHBondContact O-CA 3.5Å; L83-I459 HydrophobicContact CB-CG1 3.88Å; L83-I459 HydrophobicContact CD1-CG1 4.43Å; L83-I459 PolarHBondContact N-O 3.01Å; L83-I459 PolarHBondContact O-N 3.14Å; L83-T461 HydrophobicContact CD1-CG2 3.96Å; L83-T461 HydrophobicContact CD2-CG2 3.65Å; L83-T461 HydrophobicContact CG-CG2 3.49Å; L83-T461 VanDerWaalsContact CG-CG2 3.49Å
84I87.4Confident90.6Very high28 Ų2856.2 Ų56.214%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-102.4116.1173.2-56.9-174.8000108I77 E86 V87 H457I77-I84 HydrophobicContact CD1-CD1 3.68Å; I77-I84 HydrophobicContact CG1-CD1 3.9Å; I77-I84 HydrophobicContact CG2-CD1 4.08Å; I77-I84 HydrophobicContact CG2-CG1 4.21Å; I84-E86 VanDerWaalsContact C-N 3.3Å; I84-E86 WeakPolarHBondContact CG2-O 3.33Å; I84-E86 PolarHBondContact O-N 3.09Å; I84-V87 HydrophobicContact CB-CG2 4.27Å; I84-V87 HydrophobicContact CG2-CG2 4.17Å; I84-H457 CarbonylContact C-O 3.42Å; I84-H457 VanDerWaalsContact CA-O 3.26Å; I84-H457 WeakPolarHBondContact CA-O 3.34Å
85S81.9Confident91Very high95 Ų9552.9 Ų52.966%0.66427%0.272SS*.SBendtrans-61.4-37.8-172.9-63.80000112.9H457S85-H457 PolarHBondContact N-O 3Å
86E85.4Confident91.4Very high158 Ų15849.3 Ų49.374%0.73826%0.255SS*.SBendtrans-144.9114.7175.9-174.5176.2-175.300107.8I84 P88I84-E86 VanDerWaalsContact C-N 3.3Å; I84-E86 WeakPolarHBondContact CG2-O 3.33Å; I84-E86 PolarHBondContact O-N 3.09Å; E86-P88 WeakPolarHBondContact O-CD 3.36Å
87V86.7Confident91.8Very high62 Ų6247.4 Ų47.438%0.37625%0.245SC..  trans-78.9115.7175.4177.90000107.5M65 M70 I84M65-V87 HydrophobicContact CE-CG1 3.79Å; M70-V87 HydrophobicContact CE-CG1 3.61Å; I84-V87 HydrophobicContact CB-CG2 4.27Å; I84-V87 HydrophobicContact CG2-CG2 4.17Å
88P91.4Very high92.2Very high18 Ų1846.2 Ų46.212%0.11724%0.239CC..PPolyproline II helixtrans-64.4156.9-176.5-19.632.1000112.3Q62 P63 M65 E86Q62-P88 HydrophobicContact CB-CG 3.82Å; P63-P88 VanDerWaalsContact O-CB 3.28Å; P63-P88 WeakPolarHBondContact O-CB 3.39Å; M65-P88 WeakPolarHBondContact CE-O 3.19Å; M65-P88 HydrophobicContact CG-CB 4.15Å; M65-P88 HydrophobicContact CG-CG 4.36Å; E86-P88 WeakPolarHBondContact O-CD 3.36Å
89E94.1Very high92.6Very high155 Ų15541.4 Ų41.472%0.72421%0.213SC*.PPolyproline II helixtrans-65.3163.4172.3-65.1-172.1166.300111.6N64 M65N64-E89 CarbonylContact C-O 3.53Å; N64-E89 WeakPolarHBondContact CA-O 3.23Å; N64-E89 WeakPolarHBondContact CB-O 3.36Å; M65-E89 PolarHBondContact N-O 3.28Å
90R94.6Very high93Very high92 Ų9240 Ų4035%0.34721%0.207SC..EExtended strand (participates in β ladder)trans-99.4137.917565.7-175.1-173.4-178.61.7111M65 I67 Q68 D274M65-R90 CarbonylContact O-C 3.59Å; M65-R90 VanDerWaalsContact O-CA 3.27Å; M65-R90 WeakPolarHBondContact O-CA 3.46Å; I67-R90 HydrophobicContact CD1-CB 4.29Å; I67-R90 HydrophobicContact CD1-CG 4.24Å; Q68-R90 PolarHBondContact O-NH1 3.07Å; Q68-R90 VanDerWaalsContact O-NH1 3.15Å; R90-D274 IonicContact NH2-OD1 3.36Å
91S96.8Very high93.5Very high32 Ų3239.4 Ų39.422%0.22420%0.204CC..EExtended strand (participates in β ladder)trans-149.8157.3177.2-174.40000111.5M65 I67 D93 C94M65-S91 PolarHBondContact O-N 3.37Å; I67-S91 VanDerWaalsContact CD1-C 3.47Å; I67-S91 PolarHBondContact N-O 3.48Å; S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact OG-N 3.39Å; S91-C94 WeakPolarHBondContact O-CB 3.43Å
92E97.4Very high94Very high18 Ų1839.4 Ų39.48%0.08420%0.203CC..SBendtrans-71.4-28.3164.1-71-173.4-124.500111.4P37 L38 R43 I67 C94 L153P37-E92 VanDerWaalsContact CD-O 3.27Å; P37-E92 WeakPolarHBondContact CD-O 3.34Å; P37-E92 VanDerWaalsContact CG-O 3.28Å; P37-E92 WeakPolarHBondContact CG-O 3.41Å; L38-E92 HydrophobicContact CD2-CB 3.6Å; R43-E92 IonicContact CZ-OE1 2.99Å; R43-E92 IonicContact CZ-OE2 2.66Å; R43-E92 IonicContact NE-OE1 2.65Å; R43-E92 PolarHBondContact NE-OE1 2.77Å; R43-E92 IonicContact NE-OE2 3.99Å; R43-E92 PolarHBondContact NE-OE2 3.23Å; R43-E92 IonicContact NH2-OE1 2.92Å; R43-E92 PolarHBondContact NH2-OE1 3.48Å; R43-E92 IonicContact NH2-OE2 2.64Å; R43-E92 PolarHBondContact NH2-OE2 3.39Å; I67-E92 HydrophobicContact CD1-CG 4.41Å; I67-E92 HydrophobicContact CG1-CG 3.66Å; E92-C94 VanDerWaalsContact C-N 3.26Å; E92-C94 PolarHBondContact O-N 2.76Å; E92-L153 HydrophobicContact CG-CD1 3.77Å
93D98Very high94.5Very high38 Ų3840 Ų4020%0.20321%0.21CC..  trans-75.981.6165.9-176.715.4000109.5P36 L38 S91 Y96P36-D93 HydrophobicContact CB-CB 3.96Å; P36-D93 WeakPolarHBondContact CB-OD1 3.39Å; P36-D93 HydrophobicContact CG-CB 4.49Å; P36-D93 WeakPolarHBondContact CG-OD1 3.34Å; L38-D93 HydrophobicContact CD2-CB 4.31Å; S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact OG-N 3.39Å; D93-Y96 VanDerWaalsContact CG-OH 3.31Å; D93-Y96 VanDerWaalsContact OD1-CE2 3.23Å; D93-Y96 WeakPolarHBondContact OD1-CE2 3.41Å; D93-Y96 PolarHBondContact OD1-OH 3.48Å; D93-Y96 PolarHBondContact OD2-OH 3.27Å
94C98.6Very high94.9Very high1 Ų140.5 Ų40.51%0.00721%0.214CC..  trans-130.52-175.769.90000114.7C66 S91 E92 Y96 Q147C66-C94 VanDerWaalsContact CA-CB 3.47Å; C66-C94 WeakPolarHBondContact CA-SG 3.39Å; C66-C94 HydrophobicContact CB-CB 3.81Å; C66-C94 WeakPolarHBondContact CB-SG 3.49Å; C66-C94 WeakPolarHBondContact SG-CB 3.44Å; C66-C94 CovalentContact SG-SG 2.04Å; C66-C94 PolarHBondContact SG-SG 2.88Å; S91-C94 WeakPolarHBondContact O-CB 3.43Å; E92-C94 VanDerWaalsContact C-N 3.26Å; E92-C94 PolarHBondContact O-N 2.76Å; C94-Y96 VanDerWaalsContact C-CD2 3.44Å; C94-Y96 PolarHBondContact O-N 2.89Å; C94-Q147 WeakPolarHBondContact O-CB 3.37Å; C94-Q147 PolarHBondContact O-NE2 2.99Å; C94-Q147 VanDerWaalsContact O-NE2 3.12Å
95L98.8Very high95.3Very high1 Ų141.8 Ų41.81%0.00522%0.216CC..  trans-79.970.4-174.9-60.1-172.9000112.7F33 A34 P37 P47 R149 D171F33-L95 WeakPolarHBondContact CD1-O 3.41Å; F33-L95 HydrophobicContact CE1-CB 4.13Å; F33-L95 HydrophobicContact CE2-CB 4.12Å; F33-L95 HydrophobicContact CZ-CB 3.78Å; F33-L95 HydrophobicContact CZ-CD2 3.98Å; F33-L95 HydrophobicContact CZ-CG 4.4Å; F33-L95 PolarHBondContact N-O 3.28Å; A34-L95 HydrophobicContact CB-CB 3.94Å; A34-L95 HydrophobicContact CB-CD1 3.63Å; A34-L95 HydrophobicContact CB-CG 4.44Å; P37-L95 HydrophobicContact CB-CD1 4.4Å; P37-L95 HydrophobicContact CG-CD1 3.95Å; P37-L95 HydrophobicContact CG-CG 4.14Å; P47-L95 HydrophobicContact CB-CD1 4.26Å; L95-R149 HydrophobicContact CD2-CG 4.2Å; L95-D171 HydrophobicContact CD2-CB 4.05Å; L95-D171 WeakPolarHBondContact CD2-OD2 3.34Å
96Y98.9Very high95.9Very high26 Ų2639.5 Ų39.510%0.10220%0.204CC..EExtended strand (participates in β ladder)trans-125.2158.5-177.3-62.9-84.9000111.7G30 V31 P32 F33 P63 D93 C94 Q147G30-Y96 VanDerWaalsContact O-CD1 3.23Å; G30-Y96 WeakPolarHBondContact O-CD1 3.31Å; V31-Y96 CarbonylContact O-C 3.57Å; V31-Y96 WeakPolarHBondContact O-CA 3.33Å; P32-Y96 HydrophobicContact CB-CD1 3.97Å; P32-Y96 HydrophobicContact CB-CE1 3.74Å; P32-Y96 HydrophobicContact CG-CE1 4.38Å; F33-Y96 WeakPolarHBondContact CE1-O 3.48Å; P63-Y96 VanDerWaalsContact CB-CB 3.47Å; P63-Y96 HydrophobicContact CB-CD1 4.49Å; P63-Y96 HydrophobicContact CB-CD2 3.72Å; P63-Y96 HydrophobicContact CB-CG 3.64Å; D93-Y96 VanDerWaalsContact CG-OH 3.31Å; D93-Y96 VanDerWaalsContact OD1-CE2 3.23Å; D93-Y96 WeakPolarHBondContact OD1-CE2 3.41Å; D93-Y96 PolarHBondContact OD1-OH 3.48Å; D93-Y96 PolarHBondContact OD2-OH 3.27Å; C94-Y96 VanDerWaalsContact C-CD2 3.44Å; C94-Y96 PolarHBondContact O-N 2.89Å; Y96-Q147 PolarHBondContact O-N 2.77Å; Y96-Q147 VanDerWaalsContact O-N 3.08Å
97L98.9Very high96.1Very high0 Ų038.9 Ų38.90%021%0.213CC..EExtended strand (participates in β ladder)trans-130.8155.8170.957.381000111.6G30 V31 F33 I99 V144 L145 I146 W178G30-L97 PolarHBondContact N-O 3.15Å; V31-L97 HydrophobicContact CB-CD1 3.92Å; V31-L97 HydrophobicContact CG1-CD1 4.42Å; V31-L97 PolarHBondContact N-O 3.38Å; V31-L97 PolarHBondContact O-N 3.36Å; F33-L97 HydrophobicContact CB-CD2 3.81Å; F33-L97 HydrophobicContact CB-CG 4.41Å; F33-L97 HydrophobicContact CD1-CB 4.23Å; F33-L97 HydrophobicContact CD1-CD2 4.02Å; F33-L97 HydrophobicContact CD1-CG 4.18Å; F33-L97 HydrophobicContact CG-CD2 4.23Å; L97-I99 HydrophobicContact CD1-CD1 3.66Å; L97-I99 HydrophobicContact CD1-CG1 3.52Å; L97-V144 HydrophobicContact CB-CG1 4.28Å; L97-V144 HydrophobicContact CD1-CG1 4.15Å; L97-V144 HydrophobicContact CD2-CG1 4.25Å; L97-V144 HydrophobicContact CG-CG1 4.47Å; L97-L145 CarbonylContact C-O 3.44Å; L97-L145 VanDerWaalsContact CA-O 3.22Å; L97-L145 WeakPolarHBondContact CA-O 3.3Å; L97-L145 WeakPolarHBondContact CB-O 3.46Å; L97-I146 HydrophobicContact CB-CB 4.45Å; L97-I146 HydrophobicContact CB-CG2 3.96Å; L97-I146 HydrophobicContact CD2-CG2 4.36Å; L97-W178 HydrophobicContact CD1-CE3 4.17Å; L97-W178 HydrophobicContact CD1-CH2 4.12Å; L97-W178 HydrophobicContact CD1-CZ3 3.8Å; L97-W178 HydrophobicContact CD2-CD2 4.05Å; L97-W178 HydrophobicContact CD2-CE3 3.61Å; L97-W178 HydrophobicContact CD2-CZ3 4.1Å; L97-W178 HydrophobicContact CG-CE3 4.48Å
98N98.8Very high96.5Very high0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-110.5142.4174.3-63.6-25.8000109.4F28 L29 G30 Q62 Y100 V144 L145F28-N98 CarbonylContact O-C 3.55Å; F28-N98 WeakPolarHBondContact O-CA 3.48Å; L29-N98 VanDerWaalsContact CA-OD1 3.29Å; L29-N98 WeakPolarHBondContact CA-OD1 3.21Å; L29-N98 HydrophobicContact CD2-CB 3.91Å; G30-N98 PolarHBondContact N-OD1 3.18Å; Q62-N98 PolarHBondContact OE1-ND2 3.34Å; N98-Y100 HydrophobicContact CB-CE2 3.94Å; N98-V144 CarbonylContact O-C 3.51Å; N98-V144 VanDerWaalsContact O-CA 3.28Å; N98-V144 WeakPolarHBondContact O-CA 3.36Å; N98-L145 HydrophobicContact CB-CB 4.36Å; N98-L145 PolarHBondContact N-O 3.31Å; N98-L145 PolarHBondContact O-N 2.85Å
99I98.9Very high96.7Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-127.8131.5-178-54169.6000109.3A27 F28 L97 V142 A143 V144 W178 I183 F186A27-I99 CarbonylContact C-O 3.52Å; A27-I99 VanDerWaalsContact CA-O 3.27Å; A27-I99 WeakPolarHBondContact CA-O 3.44Å; F28-I99 HydrophobicContact CB-CB 4.37Å; F28-I99 PolarHBondContact N-O 3.02Å; F28-I99 PolarHBondContact O-N 3.05Å; L97-I99 HydrophobicContact CD1-CD1 3.66Å; L97-I99 HydrophobicContact CD1-CG1 3.52Å; I99-V142 HydrophobicContact CG2-CG1 3.78Å; I99-A143 CarbonylContact C-O 3.59Å; I99-A143 WeakPolarHBondContact CA-O 3.41Å; I99-V144 HydrophobicContact CG1-CG1 4.47Å; I99-V144 HydrophobicContact CG1-CG2 4.43Å; I99-W178 HydrophobicContact CD1-CH2 3.55Å; I99-W178 HydrophobicContact CD1-CZ3 3.73Å; I99-I183 HydrophobicContact CG2-CD1 4.38Å; I99-F186 HydrophobicContact CB-CD1 4.47Å; I99-F186 HydrophobicContact CD1-CD1 4.01Å; I99-F186 HydrophobicContact CD1-CD2 4.02Å; I99-F186 HydrophobicContact CD1-CE1 3.69Å; I99-F186 HydrophobicContact CD1-CE2 3.71Å; I99-F186 HydrophobicContact CD1-CG 4.16Å; I99-F186 HydrophobicContact CD1-CZ 3.52Å; I99-F186 HydrophobicContact CG2-CB 4.19Å; I99-F186 HydrophobicContact CG2-CD1 3.93Å; I99-F186 HydrophobicContact CG2-CG 4.05Å
100Y98.8Very high96.9Very high2 Ų241.7 Ų41.71%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-123.8123.1174.8-58-100.6000108.4V25 A27 L29 N98 V142 A143 L145 H457V25-Y100 HydrophobicContact CG2-CD1 4.1Å; A27-Y100 HydrophobicContact CB-CD1 3.86Å; A27-Y100 HydrophobicContact CB-CE1 3.93Å; L29-Y100 HydrophobicContact CD2-CE1 4.42Å; L29-Y100 HydrophobicContact CD2-CE2 4.42Å; N98-Y100 HydrophobicContact CB-CE2 3.94Å; Y100-V142 CarbonylContact O-C 3.46Å; Y100-V142 WeakPolarHBondContact O-CA 3.32Å; Y100-A143 PolarHBondContact N-O 2.9Å; Y100-A143 PolarHBondContact O-N 2.87Å; Y100-L145 HydrophobicContact CD2-CD1 3.45Å; Y100-L145 VanDerWaalsContact CD2-CD1 3.45Å; Y100-L145 HydrophobicContact CE2-CD1 3.43Å; Y100-L145 VanDerWaalsContact CE2-CD1 3.43Å; Y100-L145 HydrophobicContact CE2-CD2 4.28Å; Y100-L145 HydrophobicContact CE2-CG 4.47Å; Y100-H457 PolarHBondContact OH-CE1 2.85Å
101S98.4Very high97.1Very high0 Ų038.8 Ų38.80%022%0.22CC..EExtended strand (participates in β ladder)trans-133.3136.7-177.1177.90000110.4V25 H26 A103 R105 F186V25-S101 CarbonylContact C-O 3.46Å; V25-S101 WeakPolarHBondContact CA-O 3.28Å; V25-S101 WeakPolarHBondContact CB-O 3.32Å; H26-S101 PolarHBondContact N-O 3.02Å; H26-S101 PolarHBondContact O-N 3.46Å; S101-A103 PolarHBondContact O-N 3.5Å; S101-R105 WeakPolarHBondContact OG-CD 3.39Å; S101-R105 PolarHBondContact OG-NE 2.93Å; S101-R105 PolarHBondContact OG-NH1 2.94Å; S101-F186 WeakPolarHBondContact CB-O 3.38Å; S101-F186 PolarHBondContact OG-O 3.21Å
102P98Very high97.2Very high1 Ų137.8 Ų37.81%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-52.8133-178.4-25.834.1000111.6N104 R105 L111 A136 V141P102-N104 VanDerWaalsContact C-N 3.34Å; P102-R105 HydrophobicContact CB-CB 4.48Å; P102-R105 WeakPolarHBondContact O-CD 3.41Å; P102-R105 VanDerWaalsContact O-CG 3.28Å; P102-R105 WeakPolarHBondContact O-CG 3.24Å; P102-R105 PolarHBondContact O-N 2.87Å; P102-R105 PolarHBondContact O-NH1 3.27Å; P102-L111 HydrophobicContact CG-CD1 3.82Å; P102-A136 WeakPolarHBondContact CG-O 3.34Å; P102-V141 WeakPolarHBondContact CD-O 3.38Å
103A97.1Very high97.3Very high25 Ų2537 Ų3721%0.20721%0.208CC..THydrogen-bonded Turntrans-75.4-26.7-174.700000112.8Y15 S23 G24 S101 R105Y15-A103 HydrophobicContact CD2-CB 4.33Å; Y15-A103 HydrophobicContact CE2-CB 4.07Å; S23-A103 WeakPolarHBondContact O-CB 3.22Å; G24-A103 PolarHBondContact O-N 2.94Å; S101-A103 PolarHBondContact O-N 3.5Å; A103-R105 VanDerWaalsContact C-N 3.31Å
104N94.8Very high97.3Very high99 Ų9935.1 Ų35.153%0.52920%0.199SC..THydrogen-bonded Turntrans-86.97.1178.264.3-41000113.8S23 P102S23-N104 PolarHBondContact OG-OD1 3.27Å; P102-N104 VanDerWaalsContact C-N 3.34Å
105R95.3Very high97.3Very high54 Ų5435.1 Ų35.120%0.20420%0.198CC..  trans-61.4149.6178.372.5-174.7-178.7-90.88.1111.6H26 S101 P102 A103 A109 L111 F186H26-R105 PolarHBondContact ND1-NH1 3.21Å; S101-R105 WeakPolarHBondContact OG-CD 3.39Å; S101-R105 PolarHBondContact OG-NE 2.93Å; S101-R105 PolarHBondContact OG-NH1 2.94Å; P102-R105 HydrophobicContact CB-CB 4.48Å; P102-R105 WeakPolarHBondContact O-CD 3.41Å; P102-R105 VanDerWaalsContact O-CG 3.28Å; P102-R105 WeakPolarHBondContact O-CG 3.24Å; P102-R105 PolarHBondContact O-N 2.87Å; P102-R105 PolarHBondContact O-NH1 3.27Å; A103-R105 VanDerWaalsContact C-N 3.31Å; R105-A109 HydrophobicContact CB-CB 4.08Å; R105-L111 HydrophobicContact CB-CD1 4.22Å; R105-F186 PolarHBondContact NE-O 3.39Å; R105-F186 VanDerWaalsContact NE-O 3.16Å
106A94.1Very high97.3Very high48 Ų4835.1 Ų35.140%0.39720%0.198SC..  trans-64150.6170.200000110.9D108 A109A106-D108 WeakPolarHBondContact CB-OD1 3.28Å; A106-D108 PolarHBondContact O-N 3.2Å; A106-A109 HydrophobicContact CB-CB 4.32Å; A106-A109 WeakPolarHBondContact O-CB 3.44Å; A106-A109 PolarHBondContact O-N 3.44Å; A106-A109 VanDerWaalsContact O-N 3.09Å
107P90.1Very high97.3Very high144 Ų14433.9 Ų33.994%0.93519%0.194SC*.THydrogen-bonded Turntrans-58.4-29.3177.6-26.435.9000114.5
108D93.9Very high97.3Very high135 Ų13533.9 Ų33.972%0.72219%0.194SC*.THydrogen-bonded Turntrans-104.219.6178.962.1-24000112.7A106A106-D108 WeakPolarHBondContact CB-OD1 3.28Å; A106-D108 PolarHBondContact O-N 3.2Å
109A97Very high97.2Very high19 Ų1934.1 Ų34.116%0.15720%0.196CC..  trans-61.4139.4-179.600000112.2R105 A106 L111 G187R105-A109 HydrophobicContact CB-CB 4.08Å; A106-A109 HydrophobicContact CB-CB 4.32Å; A106-A109 WeakPolarHBondContact O-CB 3.44Å; A106-A109 PolarHBondContact O-N 3.44Å; A106-A109 VanDerWaalsContact O-N 3.09Å; A109-L111 HydrophobicContact CB-CD2 4.41Å; A109-L111 HydrophobicContact CB-CG 4.1Å; A109-G187 CarbonylContact C-O 3.52Å; A109-G187 CarbonylContact O-C 3.58Å; A109-G187 VanDerWaalsContact O-CA 3.24Å; A109-G187 WeakPolarHBondContact O-CA 3.33Å
110E97.9Very high97Very high140 Ų14034.9 Ų34.965%0.65420%0.203SC*.  trans-120.262.8175.2-67.3-169.2147.700109.5N189E110-N189 HydrophobicContact CB-CB 4.01Å
111L98.8Very high96.7Very high32 Ų3236.1 Ų36.117%0.16822%0.217CC..EExtended strand (participates in β ladder)trans-72.3151.1-174.8-58.6178000111.8P102 R105 A109 V142 G187 G188 N189P102-L111 HydrophobicContact CG-CD1 3.82Å; R105-L111 HydrophobicContact CB-CD1 4.22Å; A109-L111 HydrophobicContact CB-CD2 4.41Å; A109-L111 HydrophobicContact CB-CG 4.1Å; L111-V142 HydrophobicContact CB-CG2 4.26Å; L111-V142 HydrophobicContact CD1-CG2 4.4Å; L111-G187 WeakPolarHBondContact CB-O 3.4Å; L111-G187 WeakPolarHBondContact CG-O 3.3Å; L111-G187 PolarHBondContact N-O 3.36Å; L111-G188 CarbonylContact O-C 3.59Å; L111-G188 WeakPolarHBondContact O-CA 3.28Å; L111-N189 PolarHBondContact O-N 2.88Å
112P98.8Very high96.6Very high11 Ų1136.2 Ų36.27%0.07122%0.217CC..EExtended strand (participates in β ladder)trans-55.4144.2168.3-13.122.4000111.2V141 V142 L192 A483 R484P112-V141 HydrophobicContact CB-CG1 4.07Å; P112-V141 HydrophobicContact CG-CG1 4.23Å; P112-V141 WeakPolarHBondContact O-CA 3.46Å; P112-V141 WeakPolarHBondContact O-CB 3.44Å; P112-V142 PolarHBondContact O-N 3.25Å; P112-L192 HydrophobicContact CB-CD2 3.86Å; P112-L192 HydrophobicContact CB-CG 4.34Å; P112-L192 HydrophobicContact CG-CD2 3.79Å; P112-A483 HydrophobicContact CB-CB 4.37Å; P112-R484 HydrophobicContact CB-CG 4.45Å; P112-R484 HydrophobicContact CG-CB 4.3Å; P112-R484 HydrophobicContact CG-CG 3.4Å; P112-R484 VanDerWaalsContact CG-CG 3.4Å
113V98.9Very high96.4Very high0 Ų037.9 Ų37.90%023%0.228CC..EExtended strand (participates in β ladder)trans-108.6131.4178.7-176.60000108.9V115 V142 V144 V179 I183 L192 V193 T194V113-V115 HydrophobicContact CG1-CG2 4.01Å; V113-V142 CarbonylContact C-O 3.58Å; V113-V142 WeakPolarHBondContact CA-O 3.38Å; V113-V142 HydrophobicContact CG2-CB 4.39Å; V113-V144 HydrophobicContact CG1-CG2 3.96Å; V113-V179 HydrophobicContact CG1-CG1 4.07Å; V113-I183 HydrophobicContact CB-CG1 4.47Å; V113-I183 HydrophobicContact CG1-CD1 4.42Å; V113-I183 HydrophobicContact CG1-CG1 3.91Å; V113-I183 HydrophobicContact CG2-CB 4.46Å; V113-I183 HydrophobicContact CG2-CG1 3.67Å; V113-I183 HydrophobicContact CG2-CG2 3.97Å; V113-L192 PolarHBondContact N-O 2.98Å; V113-V193 HydrophobicContact CB-CG2 4.08Å; V113-V193 HydrophobicContact CG2-CG2 4.45Å; V113-V193 CarbonylContact O-C 3.51Å; V113-T194 PolarHBondContact O-N 3.35Å
114M98.9Very high96.2Very high0 Ų037.1 Ų37.10%022%0.22CC..EExtended strand (participates in β ladder)trans-117.9113175-64.7-169.971.400109.9L135 V141 V142 A143 V144 T194 F196 I222 W479 A483M114-L135 HydrophobicContact CE-CD2 4.26Å; M114-L135 HydrophobicContact SD-CD2 4.04Å; M114-L135 HydrophobicContact SD-CG 4.44Å; M114-V141 HydrophobicContact CG-CB 4.37Å; M114-V141 HydrophobicContact CG-CG1 4.48Å; M114-V141 HydrophobicContact CG-CG2 4.33Å; M114-V141 HydrophobicContact SD-CG1 4.31Å; M114-V141 HydrophobicContact SD-CG2 4.1Å; M114-V142 PolarHBondContact N-O 2.78Å; M114-A143 CarbonylContact O-C 3.38Å; M114-A143 WeakPolarHBondContact O-CA 3.42Å; M114-V144 PolarHBondContact O-N 3.05Å; M114-T194 CarbonylContact C-O 3.54Å; M114-T194 WeakPolarHBondContact CA-O 3.46Å; M114-F196 HydrophobicContact CB-CD1 4.18Å; M114-F196 HydrophobicContact CB-CE1 3.77Å; M114-F196 HydrophobicContact CB-CZ 4.47Å; M114-F196 HydrophobicContact CE-CD1 4.25Å; M114-F196 HydrophobicContact CE-CD2 4.33Å; M114-F196 HydrophobicContact CE-CE1 4.34Å; M114-F196 HydrophobicContact CE-CE2 4.4Å; M114-F196 HydrophobicContact CE-CG 4.28Å; M114-F196 HydrophobicContact CE-CZ 4.42Å; M114-I222 HydrophobicContact CE-CD1 4.36Å; M114-W479 HydrophobicContact CE-CB 4.27Å; M114-A483 HydrophobicContact CE-CB 4.29Å; M114-A483 HydrophobicContact CG-CB 3.75Å; M114-A483 HydrophobicContact SD-CB 3.73Å
115V99Very high96.3Very high0 Ų033 Ų330%020%0.201CC..EExtended strand (participates in β ladder)trans-102109.2-176.5-1730000110V113 V144 I146 L176 V179 V193 T194 I195 F196V113-V115 HydrophobicContact CG1-CG2 4.01Å; V115-V144 CarbonylContact C-O 3.56Å; V115-V144 VanDerWaalsContact CA-O 3.28Å; V115-V144 WeakPolarHBondContact CA-O 3.34Å; V115-V144 HydrophobicContact CG1-CB 4.43Å; V115-V144 HydrophobicContact CG1-CG1 4.49Å; V115-V144 HydrophobicContact CG2-CB 4.21Å; V115-I146 HydrophobicContact CG1-CD1 4.48Å; V115-I146 HydrophobicContact CG1-CG2 3.81Å; V115-L176 HydrophobicContact CB-CD2 4.32Å; V115-L176 HydrophobicContact CG1-CD2 4.07Å; V115-L176 HydrophobicContact CG2-CD2 4.25Å; V115-V179 HydrophobicContact CG2-CG1 4.28Å; V115-V179 HydrophobicContact CG2-CG2 4.29Å; V115-V193 HydrophobicContact CG2-CG1 3.81Å; V115-T194 PolarHBondContact N-O 3.28Å; V115-I195 HydrophobicContact CB-CG2 4.31Å; V115-F196 VanDerWaalsContact O-CD1 3.3Å; V115-F196 WeakPolarHBondContact O-CD1 3.46Å; V115-F196 PolarHBondContact O-N 2.83Å
116W98.9Very high96.3Very high2 Ų230.4 Ų30.41%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-83.4128.2179.9177.3-112.1000112Y130 V144 L145 I146 F196 V198 V445W116-Y130 AromaticContact CE2-CE1 3.96Å; W116-Y130 AromaticContact CZ2-CD1 4Å; W116-Y130 HydrophobicContact CZ2-CD1 4Å; W116-Y130 AromaticContact CZ2-CE1 3.55Å; W116-Y130 HydrophobicContact CZ2-CE1 3.55Å; W116-Y130 HydrophobicContact CZ2-CE2 4.48Å; W116-Y130 AromaticContact CZ2-CZ 3.82Å; W116-Y130 AromaticContact NE1-CD1 3.68Å; W116-Y130 AromaticContact NE1-CD2 3.36Å; W116-Y130 AromaticContact NE1-CE1 3.84Å; W116-Y130 AromaticContact NE1-CE2 3.58Å; W116-Y130 AromaticContact NE1-CG 3.41Å; W116-Y130 AromaticContact NE1-CZ 3.79Å; W116-V144 PolarHBondContact N-O 3.35Å; W116-L145 HydrophobicContact CB-CB 4.47Å; W116-L145 HydrophobicContact CB-CG 4.12Å; W116-I146 PolarHBondContact O-N 2.82Å; W116-F196 CarbonylContact C-O 3Å; W116-F196 VanDerWaalsContact CA-O 3.26Å; W116-F196 WeakPolarHBondContact CA-O 3.08Å; W116-F196 HydrophobicContact CB-CD1 4.32Å; W116-F196 HydrophobicContact CB-CE1 3.63Å; W116-F196 HydrophobicContact CB-CZ 3.82Å; W116-F196 HydrophobicContact CD2-CE2 4.3Å; W116-F196 HydrophobicContact CD2-CZ 4.28Å; W116-F196 HydrophobicContact CE3-CD1 4.21Å; W116-F196 AromaticContact CE3-CD2 3.44Å; W116-F196 HydrophobicContact CE3-CD2 3.44Å; W116-F196 VanDerWaalsContact CE3-CD2 3.44Å; W116-F196 HydrophobicContact CE3-CE1 4.11Å; W116-F196 AromaticContact CE3-CE2 3.33Å; W116-F196 HydrophobicContact CE3-CE2 3.33Å; W116-F196 AromaticContact CE3-CG 3.88Å; W116-F196 HydrophobicContact CE3-CG 3.88Å; W116-F196 AromaticContact CE3-CZ 3.68Å; W116-F196 HydrophobicContact CE3-CZ 3.68Å; W116-F196 HydrophobicContact CG-CZ 4.39Å; W116-F196 AromaticContact CZ3-CD2 3.69Å; W116-F196 HydrophobicContact CZ3-CD2 3.69Å; W116-F196 AromaticContact CZ3-CE2 3.78Å; W116-F196 HydrophobicContact CZ3-CE2 3.78Å; W116-F196 HydrophobicContact CZ3-CG 4.4Å; W116-V198 HydrophobicContact CH2-CB 3.68Å; W116-V198 HydrophobicContact CH2-CG1 3.48Å; W116-V198 VanDerWaalsContact CH2-CG1 3.48Å; W116-V198 HydrophobicContact CZ2-CB 4.32Å; W116-V198 HydrophobicContact CZ2-CG1 3.61Å; W116-V445 HydrophobicContact CH2-CG1 4.05Å; W116-V445 HydrophobicContact CH2-CG2 4.31Å; W116-V445 HydrophobicContact CZ2-CG1 4.26Å
117I98.9Very high96.4Very high0 Ų028.1 Ų28.10%017%0.172CC..EExtended strand (participates in β ladder)trans-112.3117.9170.7-46.4-177.3000108.1I146 Y148 Q172 F196 G197 G201 V205 L208I117-I146 HydrophobicContact CD1-CD1 4.49Å; I117-I146 HydrophobicContact CG1-CD1 4.05Å; I117-I146 HydrophobicContact CG1-CG1 4.33Å; I117-Y148 HydrophobicContact CG2-CD1 4.14Å; I117-Y148 HydrophobicContact CG2-CE1 3.73Å; I117-Q172 HydrophobicContact CG2-CG 4.44Å; I117-F196 PolarHBondContact N-O 3.35Å; I117-G197 WeakPolarHBondContact O-CA 3.48Å; I117-G201 WeakPolarHBondContact O-CA 3.22Å; I117-V205 HydrophobicContact CD1-CG2 4.09Å; I117-L208 HydrophobicContact CD1-CD1 3.7Å
118H98.4Very high96.5Very high0 Ų021.3 Ų21.30%013%0.129CC..  trans-72.1155.8-176.867.780.7000113Y130 Y148 G201H118-Y130 HydrophobicContact CB-CD2 4.17Å; H118-Y130 HydrophobicContact CB-CE2 3.51Å; H118-Y148 AromaticContact CD2-CE1 3.81Å; H118-Y148 AromaticContact CE1-CE1 3.55Å; H118-Y148 AromaticContact CE1-CZ 3.76Å; H118-Y148 AromaticContact ND1-CE1 3.89Å; H118-Y148 AromaticContact NE2-CD1 3.84Å; H118-Y148 AromaticContact NE2-CE1 3.51Å; H118-Y148 PolarHBondContact O-OH 2.73Å; H118-G201 WeakPolarHBondContact O-CA 3.47Å; H118-G201 PolarHBondContact O-N 3.1Å
119G96.8Very high96.4Very high4 Ų415.7 Ų15.74%0.04110%0.1CC..  trans-83.2-160171.800000113.8V124 V198G119-V124 VanDerWaalsContact O-O 3.1Å; G119-V198 WeakPolarHBondContact CA-O 3.36Å; G119-V198 PolarHBondContact N-O 2.98Å
120G94.3Very high96.2Very high16 Ų1615.9 Ų15.917%0.16510%0.097CC..SBendtrans109.533.6177.800000114.6F122 V123 V124G120-F122 PolarHBondContact O-N 3.14Å; G120-V123 WeakPolarHBondContact O-CG2 3.28Å; G120-V123 PolarHBondContact O-N 2.72Å; G120-V124 VanDerWaalsContact CA-O 3.32Å; G120-V124 WeakPolarHBondContact CA-O 3.34Å; G120-V124 WeakPolarHBondContact O-CG1 3.28Å; G120-V124 PolarHBondContact O-N 3.43Å
121G92.9Very high96.1Very high29 Ų299.2 Ų9.230%0.2997%0.066SC..THydrogen-bonded Turntrans58.424.7171.500000114.8V123G121-V123 PolarHBondContact O-N 3.45Å; G121-V123 VanDerWaalsContact O-N 3.14Å
122F95.3Very high96Very high1 Ų17.9 Ų7.90%0.0046%0.059CC..THydrogen-bonded Turntrans638.5-172.6-57.7-72000115.6G120 Y148 L150 G151 F155 L169 A200 I203 S204 L233 I289G120-F122 PolarHBondContact O-N 3.14Å; F122-Y148 HydrophobicContact CD1-CE2 4.03Å; F122-L150 CarbonylContact O-C 3.53Å; F122-L150 WeakPolarHBondContact O-CA 3.36Å; F122-L150 WeakPolarHBondContact O-CB 3.47Å; F122-G151 PolarHBondContact O-N 3.32Å; F122-F155 HydrophobicContact CB-CD2 3.94Å; F122-F155 HydrophobicContact CB-CE2 3.62Å; F122-F155 HydrophobicContact CB-CZ 3.98Å; F122-F155 AromaticContact CD1-CE1 3.88Å; F122-F155 HydrophobicContact CD1-CE1 3.88Å; F122-F155 AromaticContact CD1-CE2 3.82Å; F122-F155 HydrophobicContact CD1-CE2 3.82Å; F122-F155 AromaticContact CD1-CZ 3.31Å; F122-F155 HydrophobicContact CD1-CZ 3.31Å; F122-F155 HydrophobicContact CE1-CE1 4.31Å; F122-F155 HydrophobicContact CE1-CZ 4.02Å; F122-F155 HydrophobicContact CG-CE1 4.33Å; F122-F155 HydrophobicContact CG-CE2 4.1Å; F122-F155 AromaticContact CG-CZ 3.92Å; F122-F155 HydrophobicContact CG-CZ 3.92Å; F122-L169 HydrophobicContact CE1-CD2 4.41Å; F122-A200 HydrophobicContact CD1-CB 4.13Å; F122-A200 HydrophobicContact CD2-CB 3.96Å; F122-A200 HydrophobicContact CE1-CB 4.13Å; F122-A200 HydrophobicContact CE2-CB 3.94Å; F122-A200 HydrophobicContact CG-CB 4.07Å; F122-A200 HydrophobicContact CZ-CB 4.03Å; F122-A200 WeakPolarHBondContact CZ-O 3.24Å; F122-I203 HydrophobicContact CE2-CB 4.26Å; F122-I203 HydrophobicContact CE2-CD1 4.11Å; F122-I203 HydrophobicContact CE2-CG2 4.01Å; F122-I203 HydrophobicContact CZ-CB 3.95Å; F122-I203 HydrophobicContact CZ-CG2 3.77Å; F122-S204 WeakPolarHBondContact CE1-OG 3.31Å; F122-L233 HydrophobicContact CD2-CD1 4.34Å; F122-L233 HydrophobicContact CE2-CD1 4.25Å; F122-I289 HydrophobicContact CD1-CD1 4.5Å; F122-I289 HydrophobicContact CD2-CD1 4.32Å; F122-I289 HydrophobicContact CE1-CD1 4.22Å; F122-I289 HydrophobicContact CE2-CD1 4.05Å; F122-I289 HydrophobicContact CE2-CG1 4.23Å; F122-I289 HydrophobicContact CZ-CD1 3.99Å; F122-I289 HydrophobicContact CZ-CG1 4.41Å
123V93.1Very high96Very high37 Ų377.3 Ų7.322%0.2246%0.056CC..THydrogen-bonded Turntrans-120.4-20.6-175.1-65.90000113.5Q68 G120 G121 R280 Y287Q68-V123 WeakPolarHBondContact CB-O 3.27Å; G120-V123 WeakPolarHBondContact O-CG2 3.28Å; G120-V123 PolarHBondContact O-N 2.72Å; G121-V123 PolarHBondContact O-N 3.45Å; G121-V123 VanDerWaalsContact O-N 3.14Å; V123-R280 PolarHBondContact O-NH1 2.94Å; V123-Y287 HydrophobicContact CG1-CD2 3.94Å; V123-Y287 HydrophobicContact CG1-CE2 4.49Å
124V94.3Very high95.9Very high8 Ų87.3 Ų7.35%0.0486%0.056CC..SBendtrans-143.8165.6-178.471.30000109.3Q68 A73 L76 G119 G120Q68-V124 VanDerWaalsContact OE1-CA 3.28Å; A73-V124 HydrophobicContact CB-CG2 3.59Å; L76-V124 HydrophobicContact CD2-CG1 4.17Å; G119-V124 VanDerWaalsContact O-O 3.1Å; G120-V124 VanDerWaalsContact CA-O 3.32Å; G120-V124 WeakPolarHBondContact CA-O 3.34Å; G120-V124 WeakPolarHBondContact O-CG1 3.28Å; G120-V124 PolarHBondContact O-N 3.43Å
125G95.4Very high95.9Very high12 Ų127.5 Ų7.512%0.1246%0.056CC..  trans117.7164.2178.400000112.8Q68Q68-G125 PolarHBondContact NE2-O 2.58Å; Q68-G125 PolarHBondContact OE1-O 2.85Å
126S96.1Very high95.9Very high0 Ų07.5 Ų7.50%06%0.056CC..  trans-157.1150.7175.5-178.10000110.5M65 S128 S129 Y130 Q147M65-S126 WeakPolarHBondContact CG-OG 3.02Å; S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 PolarHBondContact OG-N 3.08Å; S126-S128 VanDerWaalsContact OG-N 3.13Å; S126-S128 PolarHBondContact OG-OG 2.84Å; S126-S129 PolarHBondContact O-N 3.12Å; S126-Y130 VanDerWaalsContact O-CD2 3.29Å; S126-Y130 WeakPolarHBondContact O-CD2 3.46Å; S126-Y130 WeakPolarHBondContact O-CE2 3.47Å; S126-Q147 PolarHBondContact OG-OE1 3.4Å
127A95.8Very high95.8Very high0 Ų07.5 Ų7.50%06%0.057CC..G310 helixtrans-57.6-31.5166.300000112.3S129 Y130 L145 Q147A127-S129 PolarHBondContact O-N 3.4Å; A127-Y130 PolarHBondContact O-N 2.77Å; A127-L145 HydrophobicContact CB-CB 3.95Å; A127-Q147 HydrophobicContact CB-CG 3.68Å
128S93.2Very high95.8Very high2 Ų29 Ų91%0.0146%0.063CC..G310 helixtrans-72.1-8.6-178.3-50.40000113.8Q62 S126 Y130 H457Q62-S128 PolarHBondContact OE1-OG 3.01Å; Q62-S128 VanDerWaalsContact OE1-OG 3.14Å; S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 PolarHBondContact OG-N 3.08Å; S126-S128 VanDerWaalsContact OG-N 3.13Å; S126-S128 PolarHBondContact OG-OG 2.84Å; S128-Y130 VanDerWaalsContact C-N 3.25Å; S128-H457 PolarHBondContact O-CD2 3.45Å; S128-H457 PolarHBondContact O-NE2 2.97Å
129S91.4Very high95.7Very high17 Ų179.1 Ų9.112%0.1196%0.063CC..G310 helixtrans-82.9-4.4173.1-53.80000113S126 A127 Y451S126-S129 PolarHBondContact O-N 3.12Å; A127-S129 PolarHBondContact O-N 3.4Å; S129-Y451 PolarHBondContact O-OH 2.9Å
130Y93.8Very high95.8Very high23 Ų2312.7 Ų12.79%0.098%0.081CC..  trans-126.1147.9-173.3-61.2-85.3000111.2W116 H118 S126 A127 S128 L145 V445 Y451 H457W116-Y130 AromaticContact CE2-CE1 3.96Å; W116-Y130 AromaticContact CZ2-CD1 4Å; W116-Y130 HydrophobicContact CZ2-CD1 4Å; W116-Y130 AromaticContact CZ2-CE1 3.55Å; W116-Y130 HydrophobicContact CZ2-CE1 3.55Å; W116-Y130 HydrophobicContact CZ2-CE2 4.48Å; W116-Y130 AromaticContact CZ2-CZ 3.82Å; W116-Y130 AromaticContact NE1-CD1 3.68Å; W116-Y130 AromaticContact NE1-CD2 3.36Å; W116-Y130 AromaticContact NE1-CE1 3.84Å; W116-Y130 AromaticContact NE1-CE2 3.58Å; W116-Y130 AromaticContact NE1-CG 3.41Å; W116-Y130 AromaticContact NE1-CZ 3.79Å; H118-Y130 HydrophobicContact CB-CD2 4.17Å; H118-Y130 HydrophobicContact CB-CE2 3.51Å; S126-Y130 VanDerWaalsContact O-CD2 3.29Å; S126-Y130 WeakPolarHBondContact O-CD2 3.46Å; S126-Y130 WeakPolarHBondContact O-CE2 3.47Å; A127-Y130 PolarHBondContact O-N 2.77Å; S128-Y130 VanDerWaalsContact C-N 3.25Å; Y130-L145 WeakPolarHBondContact O-CD2 3.35Å; Y130-V445 HydrophobicContact CD1-CG1 4.43Å; Y130-V445 HydrophobicContact CE1-CG1 4.02Å; Y130-Y451 WeakPolarHBondContact CA-OH 3.47Å; Y130-Y451 WeakPolarHBondContact CD1-OH 3.1Å; Y130-H457 PolarHBondContact O-CE1 3.49Å; Y130-H457 PolarHBondContact O-NE2 3.33Å
131D95.3Very high96Very high0 Ų011.9 Ų11.90%07%0.073CC..  trans-122.7109.7-178.7-172.1-22.3000110.1S133 T454 T456 H457 A458D131-S133 VanDerWaalsContact C-N 3.27Å; D131-S133 VanDerWaalsContact CG-OG 3.26Å; D131-S133 PolarHBondContact O-N 3.09Å; D131-S133 WeakPolarHBondContact OD1-CB 3.33Å; D131-S133 PolarHBondContact OD1-N 3.27Å; D131-S133 PolarHBondContact OD1-OG 2.99Å; D131-S133 PolarHBondContact OD2-OG 3.34Å; D131-T454 HydrophobicContact CB-CG2 3.86Å; D131-T456 PolarHBondContact OD2-OG1 3.22Å; D131-H457 IonicContact OD2-CE1 3.75Å; D131-H457 IonicContact OD2-ND1 2.69Å; D131-A458 HydrophobicContact CB-CB 4.4Å
132G96.9Very high96.3Very high3 Ų310.5 Ų10.53%0.0316%0.059CC..  trans-80.30.5179.600000114.9A136G132-A136 VanDerWaalsContact O-CB 3.24Å; G132-A136 WeakPolarHBondContact O-CB 3.18Å; G132-A136 PolarHBondContact O-N 3.2Å
133S98Very high96.4Very high0 Ų010.6 Ų10.60%06%0.06CC..Hα-helixtrans-66.1-44.2-17260.90000113.3V25 D131 A137V25-S133 WeakPolarHBondContact CG1-O 3.22Å; D131-S133 VanDerWaalsContact C-N 3.27Å; D131-S133 VanDerWaalsContact CG-OG 3.26Å; D131-S133 PolarHBondContact O-N 3.09Å; D131-S133 WeakPolarHBondContact OD1-CB 3.33Å; D131-S133 PolarHBondContact OD1-N 3.27Å; D131-S133 PolarHBondContact OD1-OG 2.99Å; D131-S133 PolarHBondContact OD2-OG 3.34Å; S133-A137 WeakPolarHBondContact O-CB 2.9Å; S133-A137 PolarHBondContact O-N 2.64Å
134A97.8Very high96.7Very high0 Ų08.8 Ų8.80%05%0.049CC..Hα-helixtrans-65.1-52-179.400000111V18 A136 A137 Y138 G450 F453 T454V18-A134 HydrophobicContact CG1-CB 4.33Å; A134-A136 VanDerWaalsContact C-N 3.32Å; A134-A136 PolarHBondContact O-N 3.18Å; A134-A137 PolarHBondContact O-N 3.14Å; A134-Y138 WeakPolarHBondContact O-CB 3.45Å; A134-Y138 WeakPolarHBondContact O-CD2 3.39Å; A134-Y138 PolarHBondContact O-N 3.47Å; A134-G450 WeakPolarHBondContact CB-O 3.32Å; A134-F453 HydrophobicContact CB-CB 3.94Å; A134-T454 HydrophobicContact CB-CG2 4.07Å
135L97.9Very high96.9Very high3 Ų38.6 Ų8.62%0.0165%0.048CC..Hα-helixtrans-56.1-46.3177.2-176.662.1000111.8M114 Q139 V141 F196 M476M114-L135 HydrophobicContact CE-CD2 4.26Å; M114-L135 HydrophobicContact SD-CD2 4.04Å; M114-L135 HydrophobicContact SD-CG 4.44Å; L135-Q139 HydrophobicContact CD1-CB 4.43Å; L135-Q139 HydrophobicContact CD1-CG 3.86Å; L135-Q139 WeakPolarHBondContact O-CB 3.39Å; L135-Q139 PolarHBondContact O-N 3.5Å; L135-V141 HydrophobicContact CG-CG2 4.25Å; L135-F196 HydrophobicContact CD2-CE2 4.13Å; L135-F196 HydrophobicContact CD2-CZ 3.79Å; L135-M476 HydrophobicContact CD1-CB 4.36Å; L135-M476 HydrophobicContact CD1-CG 4.05Å; L135-M476 HydrophobicContact CD1-SD 4.4Å
136A98.4Very high97.1Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-59.6-49.2177.800000112.5V25 P102 G132 A134 D140 V141 A143V25-A136 HydrophobicContact CG1-CB 4Å; P102-A136 WeakPolarHBondContact CG-O 3.34Å; G132-A136 VanDerWaalsContact O-CB 3.24Å; G132-A136 WeakPolarHBondContact O-CB 3.18Å; G132-A136 PolarHBondContact O-N 3.2Å; A134-A136 VanDerWaalsContact C-N 3.32Å; A134-A136 PolarHBondContact O-N 3.18Å; A136-D140 WeakPolarHBondContact O-CA 3.27Å; A136-D140 PolarHBondContact O-N 3.05Å; A136-V141 VanDerWaalsContact CA-O 3.32Å; A136-V141 WeakPolarHBondContact CA-O 3.48Å; A136-V141 VanDerWaalsContact CB-O 3.28Å; A136-V141 WeakPolarHBondContact CB-O 3.34Å; A136-V141 PolarHBondContact O-N 3.46Å; A136-A143 HydrophobicContact CB-CB 4.3Å
137A98.1Very high97.2Very high2 Ų28 Ų82%0.0174%0.042CC..Hα-helixtrans-72.8-31.4-177.600000114.3V18 K21 V25 S133 A134V18-A137 HydrophobicContact CB-CB 4.22Å; V18-A137 HydrophobicContact CG1-CB 4.22Å; V18-A137 HydrophobicContact CG2-CB 3.99Å; K21-A137 HydrophobicContact CB-CB 4.23Å; K21-A137 HydrophobicContact CG-CB 4.19Å; K21-A137 PolarHBondContact NZ-O 3.49Å; K21-A137 VanDerWaalsContact NZ-O 3.15Å; V25-A137 HydrophobicContact CG1-CB 3.84Å; S133-A137 WeakPolarHBondContact O-CB 2.9Å; S133-A137 PolarHBondContact O-N 2.64Å; A134-A137 PolarHBondContact O-N 3.14Å
138Y97.9Very high97.4Very high31 Ų318 Ų812%0.1224%0.042CC..Hα-helixtrans-82.5-32.7-179.4-85.8-94.2000112.9V18 K19 K21 A134 F453 K473 M476V18-Y138 HydrophobicContact CG1-CD2 4.16Å; V18-Y138 HydrophobicContact CG1-CE2 3.76Å; K19-Y138 PolarHBondContact O-OH 3.3Å; K21-Y138 VanDerWaalsContact CE-CD1 3.49Å; K21-Y138 HydrophobicContact CG-CD1 4.5Å; K21-Y138 HydrophobicContact CG-CD2 3.84Å; K21-Y138 HydrophobicContact CG-CE1 4.25Å; K21-Y138 HydrophobicContact CG-CE2 3.56Å; K21-Y138 HydrophobicContact CG-CG 4.31Å; A134-Y138 WeakPolarHBondContact O-CB 3.45Å; A134-Y138 WeakPolarHBondContact O-CD2 3.39Å; A134-Y138 PolarHBondContact O-N 3.47Å; Y138-F453 HydrophobicContact CD2-CD2 4.38Å; Y138-F453 HydrophobicContact CD2-CG 4.49Å; Y138-F453 HydrophobicContact CE2-CB 3.77Å; Y138-F453 HydrophobicContact CE2-CD1 4.11Å; Y138-F453 AromaticContact CE2-CD2 3.92Å; Y138-F453 HydrophobicContact CE2-CD2 3.92Å; Y138-F453 AromaticContact CE2-CG 3.65Å; Y138-F453 HydrophobicContact CE2-CG 3.65Å; Y138-F453 AromaticContact CZ-CD1 3.86Å; Y138-F453 AromaticContact CZ-CG 3.85Å; Y138-F453 VanDerWaalsContact OH-CD1 3.32Å; Y138-F453 WeakPolarHBondContact OH-CD1 3.48Å; Y138-K473 HydrophobicContact CD1-CG 4.4Å; Y138-K473 HydrophobicContact CE1-CG 4.22Å; Y138-M476 HydrophobicContact CD1-CE 3.99Å; Y138-M476 HydrophobicContact CD2-CE 4.08Å; Y138-M476 HydrophobicContact CG-CE 3.66Å; Y138-M476 HydrophobicContact CG-SD 4.35Å
139Q97.9Very high97.6Very high4 Ų48.3 Ų8.32%0.0194%0.042CC..Hα-helixtrans-107.91.9-174.8-62.1-56.3-46.800114.5L135 V141 M476 N477 R484L135-Q139 HydrophobicContact CD1-CB 4.43Å; L135-Q139 HydrophobicContact CD1-CG 3.86Å; L135-Q139 WeakPolarHBondContact O-CB 3.39Å; L135-Q139 PolarHBondContact O-N 3.5Å; Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 HydrophobicContact CB-CG1 4.03Å; Q139-V141 HydrophobicContact CB-CG2 4.2Å; Q139-V141 WeakPolarHBondContact O-CG1 3.35Å; Q139-V141 PolarHBondContact O-N 3.33Å; Q139-M476 VanDerWaalsContact CD-C 3.45Å; Q139-M476 HydrophobicContact CG-CB 3.98Å; Q139-M476 VanDerWaalsContact CG-O 3.32Å; Q139-M476 WeakPolarHBondContact CG-O 3.49Å; Q139-M476 PolarHBondContact NE2-O 2.73Å; Q139-M476 PolarHBondContact OE1-O 2.97Å; Q139-N477 PolarHBondContact NE2-OD1 3.4Å; Q139-R484 PolarHBondContact O-NH1 2.98Å
140D97.4Very high97.9Very high78 Ų787.7 Ų7.742%0.4174%0.038SC..THydrogen-bonded Turntrans51.350.6-176.3-65.2-54.4000111.5A136A136-D140 WeakPolarHBondContact O-CA 3.27Å; A136-D140 PolarHBondContact O-N 3.05Å
141V98.7Very high97.9Very high0 Ų07 Ų70%04%0.038CC..  trans-121.8154.9178.8-60.20000110.8P102 P112 M114 L135 A136 Q139P102-V141 WeakPolarHBondContact CD-O 3.38Å; P112-V141 HydrophobicContact CB-CG1 4.07Å; P112-V141 HydrophobicContact CG-CG1 4.23Å; P112-V141 WeakPolarHBondContact O-CA 3.46Å; P112-V141 WeakPolarHBondContact O-CB 3.44Å; M114-V141 HydrophobicContact CG-CB 4.37Å; M114-V141 HydrophobicContact CG-CG1 4.48Å; M114-V141 HydrophobicContact CG-CG2 4.33Å; M114-V141 HydrophobicContact SD-CG1 4.31Å; M114-V141 HydrophobicContact SD-CG2 4.1Å; L135-V141 HydrophobicContact CG-CG2 4.25Å; A136-V141 VanDerWaalsContact CA-O 3.32Å; A136-V141 WeakPolarHBondContact CA-O 3.48Å; A136-V141 VanDerWaalsContact CB-O 3.28Å; A136-V141 WeakPolarHBondContact CB-O 3.34Å; A136-V141 PolarHBondContact O-N 3.46Å; Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 HydrophobicContact CB-CG1 4.03Å; Q139-V141 HydrophobicContact CB-CG2 4.2Å; Q139-V141 WeakPolarHBondContact O-CG1 3.35Å; Q139-V141 PolarHBondContact O-N 3.33Å
142V98.9Very high97.8Very high0 Ų07.3 Ų7.30%04%0.04CC..EExtended strand (participates in β ladder)trans-87.3111.7165.3-1780000108.6I99 Y100 L111 P112 V113 M114 V144 I183I99-V142 HydrophobicContact CG2-CG1 3.78Å; Y100-V142 CarbonylContact O-C 3.46Å; Y100-V142 WeakPolarHBondContact O-CA 3.32Å; L111-V142 HydrophobicContact CB-CG2 4.26Å; L111-V142 HydrophobicContact CD1-CG2 4.4Å; P112-V142 PolarHBondContact O-N 3.25Å; V113-V142 CarbonylContact C-O 3.58Å; V113-V142 WeakPolarHBondContact CA-O 3.38Å; V113-V142 HydrophobicContact CG2-CB 4.39Å; M114-V142 PolarHBondContact N-O 2.78Å; V142-V144 HydrophobicContact CG1-CG2 4.29Å; V142-I183 HydrophobicContact CG1-CD1 3.72Å; V142-I183 HydrophobicContact CG1-CG1 4.16Å
143A98.8Very high97.7Very high2 Ų27.8 Ų7.82%0.0174%0.042CC..EExtended strand (participates in β ladder)trans-90.1130.5175.400000110.3I99 Y100 M114 A136 L145I99-A143 CarbonylContact C-O 3.59Å; I99-A143 WeakPolarHBondContact CA-O 3.41Å; Y100-A143 PolarHBondContact N-O 2.9Å; Y100-A143 PolarHBondContact O-N 2.87Å; M114-A143 CarbonylContact O-C 3.38Å; M114-A143 WeakPolarHBondContact O-CA 3.42Å; A136-A143 HydrophobicContact CB-CB 4.3Å; A143-L145 HydrophobicContact CB-CD1 4.46Å
144V98.9Very high97.7Very high0 Ų07.8 Ų7.80%04%0.042CC..EExtended strand (participates in β ladder)trans-123.8126.8178.5-176.50000108.8L97 N98 I99 V113 M114 V115 W116 V142 I146 V179 I183L97-V144 HydrophobicContact CB-CG1 4.28Å; L97-V144 HydrophobicContact CD1-CG1 4.15Å; L97-V144 HydrophobicContact CD2-CG1 4.25Å; L97-V144 HydrophobicContact CG-CG1 4.47Å; N98-V144 CarbonylContact O-C 3.51Å; N98-V144 VanDerWaalsContact O-CA 3.28Å; N98-V144 WeakPolarHBondContact O-CA 3.36Å; I99-V144 HydrophobicContact CG1-CG1 4.47Å; I99-V144 HydrophobicContact CG1-CG2 4.43Å; V113-V144 HydrophobicContact CG1-CG2 3.96Å; M114-V144 PolarHBondContact O-N 3.05Å; V115-V144 CarbonylContact C-O 3.56Å; V115-V144 VanDerWaalsContact CA-O 3.28Å; V115-V144 WeakPolarHBondContact CA-O 3.34Å; V115-V144 HydrophobicContact CG1-CB 4.43Å; V115-V144 HydrophobicContact CG1-CG1 4.49Å; V115-V144 HydrophobicContact CG2-CB 4.21Å; W116-V144 PolarHBondContact N-O 3.35Å; V142-V144 HydrophobicContact CG1-CG2 4.29Å; V144-I146 HydrophobicContact CG1-CG2 4.06Å; V144-V179 HydrophobicContact CG1-CG2 4.07Å; V144-I183 HydrophobicContact CG2-CD1 3.62Å
145L98.8Very high97.5Very high3 Ų37.8 Ų7.82%0.0164%0.042CC..EExtended strand (participates in β ladder)trans-117.5118.5-178-57.571000108.4L97 N98 Y100 W116 A127 Y130 A143L97-L145 CarbonylContact C-O 3.44Å; L97-L145 VanDerWaalsContact CA-O 3.22Å; L97-L145 WeakPolarHBondContact CA-O 3.3Å; L97-L145 WeakPolarHBondContact CB-O 3.46Å; N98-L145 HydrophobicContact CB-CB 4.36Å; N98-L145 PolarHBondContact N-O 3.31Å; N98-L145 PolarHBondContact O-N 2.85Å; Y100-L145 HydrophobicContact CD2-CD1 3.45Å; Y100-L145 VanDerWaalsContact CD2-CD1 3.45Å; Y100-L145 HydrophobicContact CE2-CD1 3.43Å; Y100-L145 VanDerWaalsContact CE2-CD1 3.43Å; Y100-L145 HydrophobicContact CE2-CD2 4.28Å; Y100-L145 HydrophobicContact CE2-CG 4.47Å; W116-L145 HydrophobicContact CB-CB 4.47Å; W116-L145 HydrophobicContact CB-CG 4.12Å; A127-L145 HydrophobicContact CB-CB 3.95Å; Y130-L145 WeakPolarHBondContact O-CD2 3.35Å; A143-L145 HydrophobicContact CB-CD1 4.46Å
146I98.9Very high97.2Very high0 Ų07.8 Ų7.80%04%0.042CC..EExtended strand (participates in β ladder)trans-106.3147-171.170.1171.3000111.7L97 V115 W116 I117 V144 Q172 A175L97-I146 HydrophobicContact CB-CB 4.45Å; L97-I146 HydrophobicContact CB-CG2 3.96Å; L97-I146 HydrophobicContact CD2-CG2 4.36Å; V115-I146 HydrophobicContact CG1-CD1 4.48Å; V115-I146 HydrophobicContact CG1-CG2 3.81Å; W116-I146 PolarHBondContact O-N 2.82Å; I117-I146 HydrophobicContact CD1-CD1 4.49Å; I117-I146 HydrophobicContact CG1-CD1 4.05Å; I117-I146 HydrophobicContact CG1-CG1 4.33Å; V144-I146 HydrophobicContact CG1-CG2 4.06Å; I146-Q172 HydrophobicContact CD1-CB 4.06Å; I146-Q172 HydrophobicContact CD1-CG 3.97Å; I146-A175 HydrophobicContact CB-CB 4.16Å; I146-A175 HydrophobicContact CD1-CB 3.97Å; I146-A175 HydrophobicContact CG2-CB 3.87Å
147Q98.7Very high96.8Very high0 Ų08 Ų80%04%0.044CC..  trans-97.2158.6162.8-66.6-150.7101.300111.4F33 N64 C94 Y96 S126 A127F33-Q147 WeakPolarHBondContact CE1-O 3.2Å; F33-Q147 VanDerWaalsContact CZ-O 3.28Å; F33-Q147 WeakPolarHBondContact CZ-O 3.29Å; N64-Q147 PolarHBondContact O-NE2 3.28Å; C94-Q147 WeakPolarHBondContact O-CB 3.37Å; C94-Q147 PolarHBondContact O-NE2 2.99Å; C94-Q147 VanDerWaalsContact O-NE2 3.12Å; Y96-Q147 PolarHBondContact O-N 2.77Å; Y96-Q147 VanDerWaalsContact O-N 3.08Å; S126-Q147 PolarHBondContact OG-OE1 3.4Å; A127-Q147 HydrophobicContact CB-CG 3.68Å
148Y98.9Very high96.4Very high0 Ų08.8 Ų8.80%05%0.048CC..  trans-149.5154.3173.359.7-86.4000109.7C66 I117 H118 F122 L150 F155 G168 Q172C66-Y148 PolarHBondContact SG-O 3.38Å; I117-Y148 HydrophobicContact CG2-CD1 4.14Å; I117-Y148 HydrophobicContact CG2-CE1 3.73Å; H118-Y148 AromaticContact CD2-CE1 3.81Å; H118-Y148 AromaticContact CE1-CE1 3.55Å; H118-Y148 AromaticContact CE1-CZ 3.76Å; H118-Y148 AromaticContact ND1-CE1 3.89Å; H118-Y148 AromaticContact NE2-CD1 3.84Å; H118-Y148 AromaticContact NE2-CE1 3.51Å; H118-Y148 PolarHBondContact O-OH 2.73Å; F122-Y148 HydrophobicContact CD1-CE2 4.03Å; Y148-L150 HydrophobicContact CD2-CD2 3.92Å; Y148-L150 HydrophobicContact CE2-CD2 3.38Å; Y148-F155 HydrophobicContact CD2-CE2 4.46Å; Y148-F155 HydrophobicContact CD2-CZ 4.32Å; Y148-F155 HydrophobicContact CE2-CE2 4.32Å; Y148-F155 HydrophobicContact CE2-CZ 4.23Å; Y148-G168 WeakPolarHBondContact CB-O 3.41Å; Y148-Q172 HydrophobicContact CD1-CG 4.19Å; Y148-Q172 HydrophobicContact CG-CG 4.1Å
149R98.7Very high95.9Very high8 Ų89.7 Ų9.73%0.037%0.068CC..  trans-61143.6179.3-76.7172.1-76.4179-3.2111.6P37 A45 L95 F155 D171P37-R149 HydrophobicContact CG-CG 4.37Å; A45-R149 VanDerWaalsContact O-CZ 3.31Å; A45-R149 PolarHBondContact O-NH1 3.45Å; A45-R149 PolarHBondContact O-NH2 3.09Å; L95-R149 HydrophobicContact CD2-CG 4.2Å; R149-F155 VanDerWaalsContact O-CE2 3.27Å; R149-F155 WeakPolarHBondContact O-CE2 3.28Å; R149-D171 VanDerWaalsContact CB-OD2 3.26Å; R149-D171 WeakPolarHBondContact CB-OD2 3.06Å; R149-D171 VanDerWaalsContact CG-OD2 3.29Å; R149-D171 WeakPolarHBondContact CG-OD2 3.38Å; R149-D171 IonicContact CZ-OD1 2.72Å; R149-D171 IonicContact CZ-OD2 2.98Å; R149-D171 PolarHBondContact N-OD2 3.22Å; R149-D171 IonicContact NE-OD1 3.83Å; R149-D171 PolarHBondContact NE-OD1 3.19Å; R149-D171 IonicContact NE-OD2 2.73Å; R149-D171 PolarHBondContact NE-OD2 2.7Å; R149-D171 IonicContact NH2-OD1 3.89Å; R149-D171 PolarHBondContact NH2-OD1 3.29Å; R149-D171 IonicContact NH2-OD2 3.78Å
150L97.3Very high95.4Very high4 Ų411.6 Ų11.62%0.0218%0.078CC..  trans-119.8162.8-174.6-59.5172.7000111.7C66 F122 Y148 L153 G154C66-L150 HydrophobicContact CB-CD1 4.3Å; C66-L150 HydrophobicContact CB-CG 4.33Å; F122-L150 CarbonylContact O-C 3.53Å; F122-L150 WeakPolarHBondContact O-CA 3.36Å; F122-L150 WeakPolarHBondContact O-CB 3.47Å; Y148-L150 HydrophobicContact CD2-CD2 3.92Å; Y148-L150 HydrophobicContact CE2-CD2 3.38Å; L150-L153 PolarHBondContact O-N 2.8Å; L150-G154 PolarHBondContact O-N 2.92Å; L150-G154 VanDerWaalsContact O-N 3.16Å
151G93.4Very high95.1Very high10 Ų1015.2 Ų15.210%0.1039%0.092CC..Hα-helixtrans54-140.4175.800000112.7F122 L153 G154 F155F122-G151 PolarHBondContact O-N 3.32Å; G151-L153 PolarHBondContact O-N 3.26Å; G151-G154 PolarHBondContact O-N 3.34Å; G151-G154 VanDerWaalsContact O-N 3.08Å; G151-F155 PolarHBondContact O-N 3.26Å
152A93.1Very high94.8Very high5 Ų517.7 Ų17.74%0.04110%0.103CC..Hα-helixtrans-55.4-38179.300000112.9L44 G154 L156 I276 L279 Y287L44-A152 WeakPolarHBondContact CD2-O 3.48Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 2.78Å; A152-L156 HydrophobicContact CB-CB 4.43Å; A152-L156 WeakPolarHBondContact O-CB 3.41Å; A152-L156 PolarHBondContact O-N 3.37Å; A152-L156 VanDerWaalsContact O-N 3.07Å; A152-I276 HydrophobicContact CB-CG2 4.36Å; A152-L279 HydrophobicContact CB-CD1 3.98Å; A152-Y287 VanDerWaalsContact CA-CE1 3.44Å; A152-Y287 HydrophobicContact CB-CD1 4.33Å; A152-Y287 HydrophobicContact CB-CE1 3.55Å
153L95.9Very high94.5Very high13 Ų1317.7 Ų17.77%0.06810%0.103CC..Hα-helixtrans-70.5-25.3-178.4-66-177.4000113.4R43 I67 E92 L150 G151 I276R43-L153 HydrophobicContact CG-CD2 3.65Å; I67-L153 HydrophobicContact CB-CD1 3.93Å; I67-L153 HydrophobicContact CG1-CD1 3.97Å; I67-L153 HydrophobicContact CG2-CD1 4.39Å; E92-L153 HydrophobicContact CG-CD1 3.77Å; L150-L153 PolarHBondContact O-N 2.8Å; G151-L153 PolarHBondContact O-N 3.26Å; L153-I276 HydrophobicContact CD2-CD1 3.93Å; L153-I276 HydrophobicContact CD2-CG2 4.47Å; L153-I276 HydrophobicContact CG-CG2 4.15Å
154G96.7Very high94.1Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-95.2-28.6177.700000114.2L150 G151 A152 N166 F167 G168L150-G154 PolarHBondContact O-N 2.92Å; L150-G154 VanDerWaalsContact O-N 3.16Å; G151-G154 PolarHBondContact O-N 3.34Å; G151-G154 VanDerWaalsContact O-N 3.08Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 2.78Å; G154-N166 CarbonylContact O-C 3.5Å; G154-F167 WeakPolarHBondContact O-CA 3.44Å; G154-F167 WeakPolarHBondContact O-CB 3.32Å; G154-F167 PolarHBondContact O-N 2.82Å; G154-G168 PolarHBondContact O-N 2.81Å
155F94.4Very high93.8Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-143.70.8-159.3-61.5-80.7000115F122 Y148 R149 G151 S157 L169 I289F122-F155 HydrophobicContact CB-CD2 3.94Å; F122-F155 HydrophobicContact CB-CE2 3.62Å; F122-F155 HydrophobicContact CB-CZ 3.98Å; F122-F155 AromaticContact CD1-CE1 3.88Å; F122-F155 HydrophobicContact CD1-CE1 3.88Å; F122-F155 AromaticContact CD1-CE2 3.82Å; F122-F155 HydrophobicContact CD1-CE2 3.82Å; F122-F155 AromaticContact CD1-CZ 3.31Å; F122-F155 HydrophobicContact CD1-CZ 3.31Å; F122-F155 HydrophobicContact CE1-CE1 4.31Å; F122-F155 HydrophobicContact CE1-CZ 4.02Å; F122-F155 HydrophobicContact CG-CE1 4.33Å; F122-F155 HydrophobicContact CG-CE2 4.1Å; F122-F155 AromaticContact CG-CZ 3.92Å; F122-F155 HydrophobicContact CG-CZ 3.92Å; Y148-F155 HydrophobicContact CD2-CE2 4.46Å; Y148-F155 HydrophobicContact CD2-CZ 4.32Å; Y148-F155 HydrophobicContact CE2-CE2 4.32Å; Y148-F155 HydrophobicContact CE2-CZ 4.23Å; R149-F155 VanDerWaalsContact O-CE2 3.27Å; R149-F155 WeakPolarHBondContact O-CE2 3.28Å; G151-F155 PolarHBondContact O-N 3.26Å; F155-S157 PolarHBondContact O-N 2.99Å; F155-L169 HydrophobicContact CE1-CG 4.08Å; F155-I289 HydrophobicContact CD1-CD1 3.55Å; F155-I289 HydrophobicContact CE1-CD1 3.39Å; F155-I289 HydrophobicContact CZ-CD1 4.45Å
156L91.8Very high93.7Very high4 Ų419.9 Ų19.92%0.02112%0.118CC..  trans-58135.5169.5-176.477.7000109.5L44 A152 V163 G165 F246 V250 M268L44-L156 HydrophobicContact CD1-CD2 3.79Å; L44-L156 HydrophobicContact CD2-CB 4.33Å; L44-L156 HydrophobicContact CD2-CD2 4.46Å; A152-L156 HydrophobicContact CB-CB 4.43Å; A152-L156 WeakPolarHBondContact O-CB 3.41Å; A152-L156 PolarHBondContact O-N 3.37Å; A152-L156 VanDerWaalsContact O-N 3.07Å; L156-V163 HydrophobicContact CD2-CG1 4.49Å; L156-V163 HydrophobicContact CG-CG1 4.5Å; L156-V163 WeakPolarHBondContact O-CG1 3.36Å; L156-G165 VanDerWaalsContact O-CA 3.25Å; L156-G165 WeakPolarHBondContact O-CA 3.39Å; L156-F246 HydrophobicContact CD1-CE1 3.69Å; L156-F246 HydrophobicContact CD1-CZ 3.76Å; L156-V250 HydrophobicContact CD1-CG2 4.11Å; L156-M268 HydrophobicContact CD2-CB 4.24Å; L156-M268 HydrophobicContact CD2-CE 3.6Å; L156-M268 HydrophobicContact CD2-CG 3.95Å
157S90.6Very high93.7Very high5 Ų520 Ų204%0.03512%0.119CC..  trans-137.1144.6172.9-174.30000110.5F155 G159 V163 P164 H290F155-S157 PolarHBondContact O-N 2.99Å; S157-G159 PolarHBondContact OG-N 3.49Å; S157-V163 CarbonylContact C-O 3.41Å; S157-V163 WeakPolarHBondContact CA-O 3.31Å; S157-V163 PolarHBondContact OG-O 2.95Å; S157-V163 VanDerWaalsContact OG-O 3.12Å; S157-P164 PolarHBondContact OG-O 3Å; S157-H290 WeakPolarHBondContact CB-NE2 3.32Å
158T89.3Confident93.7Very high17 Ų1720 Ų2010%0.10412%0.119CC..  trans-92.9-5.616646.80000112D160 V163 L247 T261 I264T158-D160 VanDerWaalsContact C-N 3.27Å; T158-D160 WeakPolarHBondContact CB-OD1 3.37Å; T158-D160 PolarHBondContact OG1-OD1 3.29Å; T158-V163 HydrophobicContact CG2-CB 4.03Å; T158-V163 HydrophobicContact CG2-CG2 4.04Å; T158-V163 PolarHBondContact N-O 3.27Å; T158-V163 PolarHBondContact OG1-N 3.46Å; T158-V163 PolarHBondContact OG1-O 2.92Å; T158-L247 HydrophobicContact CG2-CD2 4.37Å; T158-T261 HydrophobicContact CG2-CG2 4.22Å; T158-I264 HydrophobicContact CG2-CG2 3.97Å
159G86.2Confident93.7Very high51 Ų5120 Ų2053%0.52612%0.119SC..SBendtrans76.313-176.800000114.3S157S157-G159 PolarHBondContact OG-N 3.49Å
160D87.8Confident93.7Very high44 Ų4420.5 Ų20.524%0.23512%0.122CC..SBendtrans-144.1-173.3179.664.619000110.9T158 H162 V163 P164 T261T158-D160 VanDerWaalsContact C-N 3.27Å; T158-D160 WeakPolarHBondContact CB-OD1 3.37Å; T158-D160 PolarHBondContact OG1-OD1 3.29Å; D160-H162 PolarHBondContact O-N 3.43Å; D160-H162 WeakPolarHBondContact OD1-CB 3.41Å; D160-H162 IonicContact OD1-CD2 2.7Å; D160-H162 IonicContact OD1-CG 3.72Å; D160-H162 PolarHBondContact OD1-N 2.77Å; D160-H162 IonicContact OD2-CD2 3.22Å; D160-V163 CarbonylContact O-C 3.52Å; D160-P164 WeakPolarHBondContact O-CA 3.26Å; D160-T261 WeakPolarHBondContact OD2-CB 3.4Å; D160-T261 VanDerWaalsContact OD2-CG2 3.3Å; D160-T261 WeakPolarHBondContact OD2-CG2 3.39Å; D160-T261 PolarHBondContact OD2-OG1 2.74Å
161E90.7Very high93.8Very high154 Ų15420.3 Ų20.372%0.7212%0.121SC*.THydrogen-bonded Turntrans-65.5-17.4-176.664.3-92.9-148.400114.9
162H92.7Very high94Very high51 Ų5119.9 Ų19.924%0.23612%0.116CC..THydrogen-bonded Turntrans-73.1-39.1-174.8-64.2-62.9000111.8D160 T261 A265 R269D160-H162 PolarHBondContact O-N 3.43Å; D160-H162 WeakPolarHBondContact OD1-CB 3.41Å; D160-H162 IonicContact OD1-CD2 2.7Å; D160-H162 IonicContact OD1-CG 3.72Å; D160-H162 PolarHBondContact OD1-N 2.77Å; D160-H162 IonicContact OD2-CD2 3.22Å; H162-T261 PolarHBondContact CD2-OG1 2.85Å; H162-T261 VanDerWaalsContact CD2-OG1 3.27Å; H162-A265 HydrophobicContact CB-CB 4.08Å; H162-R269 PolarHBondContact O-NH2 3.49Å
163V93.1Very high94.3Very high0 Ų019.8 Ų19.80%012%0.115CC..SBendtrans-143.688.4169.6-1710000107.6L44 L156 S157 T158 D160 G165 F167 A265L44-V163 HydrophobicContact CB-CG1 4.28Å; L44-V163 HydrophobicContact CD1-CG1 4.35Å; L44-V163 HydrophobicContact CD1-CG2 4.44Å; L156-V163 HydrophobicContact CD2-CG1 4.49Å; L156-V163 HydrophobicContact CG-CG1 4.5Å; L156-V163 WeakPolarHBondContact O-CG1 3.36Å; S157-V163 CarbonylContact C-O 3.41Å; S157-V163 WeakPolarHBondContact CA-O 3.31Å; S157-V163 PolarHBondContact OG-O 2.95Å; S157-V163 VanDerWaalsContact OG-O 3.12Å; T158-V163 HydrophobicContact CG2-CB 4.03Å; T158-V163 HydrophobicContact CG2-CG2 4.04Å; T158-V163 PolarHBondContact N-O 3.27Å; T158-V163 PolarHBondContact OG1-N 3.46Å; T158-V163 PolarHBondContact OG1-O 2.92Å; D160-V163 CarbonylContact O-C 3.52Å; V163-G165 VanDerWaalsContact C-N 3.27Å; V163-G165 PolarHBondContact O-N 3.32Å; V163-F167 HydrophobicContact CG1-CE2 3.67Å; V163-F167 HydrophobicContact CG1-CZ 3.75Å; V163-A265 HydrophobicContact CG2-CB 3.4Å
164P90.7Very high94.5Very high52 Ų5220.2 Ų20.234%0.33812%0.116SC..  trans-67-28.5-17624.1-33.7000113S157 D160 F167S157-P164 PolarHBondContact OG-O 3Å; D160-P164 WeakPolarHBondContact O-CA 3.26Å; P164-F167 HydrophobicContact CG-CE1 4.29Å; P164-F167 HydrophobicContact CG-CZ 4.44Å
165G93.1Very high94.6Very high0 Ų020.2 Ų20.20%012%0.116CC..  trans94.2-162-178.900000113.2L156 V163 F167L156-G165 VanDerWaalsContact O-CA 3.25Å; L156-G165 WeakPolarHBondContact O-CA 3.39Å; V163-G165 VanDerWaalsContact C-N 3.27Å; V163-G165 PolarHBondContact O-N 3.32Å; G165-F167 PolarHBondContact O-N 3.32Å
166N96.5Very high94.8Very high0 Ų020.3 Ų20.30%012%0.117CC..  trans54.319.1178.2-61.4-21000116.2G154 G168 L169 L170 H290 D292G154-N166 CarbonylContact O-C 3.5Å; N166-G168 PolarHBondContact O-N 2.81Å; N166-L169 HydrophobicContact CB-CD1 4.16Å; N166-L169 WeakPolarHBondContact O-CB 3.29Å; N166-L169 PolarHBondContact O-N 2.91Å; N166-L170 PolarHBondContact O-N 3.03Å; N166-H290 PolarHBondContact ND2-O 3.33Å; N166-H290 PolarHBondContact OD1-N 3.34Å; N166-H290 VanDerWaalsContact OD1-N 3.12Å; N166-D292 VanDerWaalsContact ND2-CG 3.29Å; N166-D292 PolarHBondContact ND2-OD2 3.24Å
167F98.3Very high95.1Very high3 Ų324.2 Ų24.21%0.01313%0.134CC..Hα-helixtrans-56.2-37.7-179.3-51.5-62.1000112.9L44 G154 V163 P164 G165 L169 L170 D171L44-F167 VanDerWaalsContact C-CE1 3.43Å; L44-F167 HydrophobicContact CB-CE2 3.85Å; L44-F167 HydrophobicContact CB-CZ 4.04Å; L44-F167 HydrophobicContact CD2-CD2 4.16Å; L44-F167 HydrophobicContact CD2-CE2 3.9Å; L44-F167 HydrophobicContact CG-CE2 4.48Å; L44-F167 WeakPolarHBondContact O-CE1 3.2Å; L44-F167 WeakPolarHBondContact O-CZ 3.39Å; G154-F167 WeakPolarHBondContact O-CA 3.44Å; G154-F167 WeakPolarHBondContact O-CB 3.32Å; G154-F167 PolarHBondContact O-N 2.82Å; V163-F167 HydrophobicContact CG1-CE2 3.67Å; V163-F167 HydrophobicContact CG1-CZ 3.75Å; P164-F167 HydrophobicContact CG-CE1 4.29Å; P164-F167 HydrophobicContact CG-CZ 4.44Å; G165-F167 PolarHBondContact O-N 3.32Å; F167-L169 VanDerWaalsContact C-N 3.33Å; F167-L169 PolarHBondContact O-N 3.45Å; F167-L170 PolarHBondContact O-N 3.43Å; F167-D171 PolarHBondContact O-N 3.16Å
168G98.6Very high95.5Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-62.1-36.2174.400000113.2Y148 G154 N166 D171 Q172Y148-G168 WeakPolarHBondContact CB-O 3.41Å; G154-G168 PolarHBondContact O-N 2.81Å; N166-G168 PolarHBondContact O-N 2.81Å; G168-D171 WeakPolarHBondContact O-CB 3.47Å; G168-D171 PolarHBondContact O-N 2.65Å; G168-Q172 WeakPolarHBondContact O-CG 3.3Å; G168-Q172 PolarHBondContact O-N 2.88Å
169L98.8Very high96Very high0 Ų023.4 Ų23.40%013%0.128CC..Hα-helixtrans-72.9-37.1174.8-58.7174.6000111.3F122 F155 N166 F167 D171 Q172 I173 L207 I289 F295F122-L169 HydrophobicContact CE1-CD2 4.41Å; F155-L169 HydrophobicContact CE1-CG 4.08Å; N166-L169 HydrophobicContact CB-CD1 4.16Å; N166-L169 WeakPolarHBondContact O-CB 3.29Å; N166-L169 PolarHBondContact O-N 2.91Å; F167-L169 VanDerWaalsContact C-N 3.33Å; F167-L169 PolarHBondContact O-N 3.45Å; L169-D171 VanDerWaalsContact C-N 3.27Å; L169-D171 PolarHBondContact O-N 2.83Å; L169-Q172 WeakPolarHBondContact O-CB 3.26Å; L169-Q172 PolarHBondContact O-N 3.33Å; L169-Q172 VanDerWaalsContact O-N 3.16Å; L169-I173 PolarHBondContact O-N 3.43Å; L169-L207 HydrophobicContact CD1-CD1 3.97Å; L169-L207 HydrophobicContact CD2-CD1 4.14Å; L169-I289 HydrophobicContact CD1-CD1 4.07Å; L169-I289 HydrophobicContact CD1-CG2 3.86Å; L169-I289 HydrophobicContact CG-CD1 4.49Å; L169-F295 HydrophobicContact CB-CD1 4.26Å; L169-F295 HydrophobicContact CB-CD2 4.02Å; L169-F295 HydrophobicContact CB-CE1 4.09Å; L169-F295 HydrophobicContact CB-CE2 3.76Å; L169-F295 HydrophobicContact CB-CG 4.28Å; L169-F295 HydrophobicContact CB-CZ 3.82Å; L169-F295 HydrophobicContact CD1-CD1 3.59Å; L169-F295 HydrophobicContact CD1-CE1 3.36Å; L169-F295 HydrophobicContact CD1-CG 4.36Å; L169-F295 HydrophobicContact CD1-CZ 3.88Å; L169-F295 HydrophobicContact CD2-CZ 4.49Å; L169-F295 HydrophobicContact CG-CE1 4.23Å; L169-F295 HydrophobicContact CG-CZ 4.27Å
170L98.9Very high96.5Very high18 Ų1825.3 Ų25.39%0.09412%0.122CC..Hα-helixtrans-65.2-32.6174-62.5176.6000111.8A46 P47 N166 F167 Q172 I173 Q174 L213 F295A46-L170 HydrophobicContact CB-CD1 3.94Å; P47-L170 HydrophobicContact CG-CB 4.18Å; P47-L170 WeakPolarHBondContact CG-O 3.47Å; N166-L170 PolarHBondContact O-N 3.03Å; F167-L170 PolarHBondContact O-N 3.43Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-I173 PolarHBondContact O-N 3.24Å; L170-Q174 PolarHBondContact O-N 3.02Å; L170-L213 HydrophobicContact CD2-CD1 3.87Å; L170-F295 HydrophobicContact CD2-CB 4.27Å; L170-F295 HydrophobicContact CD2-CD2 4.23Å
171D98.9Very high97Very high0 Ų027.9 Ų27.90%013%0.132CC..Hα-helixtrans-61.6-42.4171.5-62.1-26000111.2F33 P47 L95 R149 F167 G168 L169 Q174 A175F33-D171 HydrophobicContact CE2-CB 4.45Å; F33-D171 VanDerWaalsContact CE2-O 3.3Å; F33-D171 WeakPolarHBondContact CE2-O 3.16Å; F33-D171 HydrophobicContact CZ-CB 4.44Å; P47-D171 WeakPolarHBondContact CB-OD1 3.43Å; P47-D171 WeakPolarHBondContact CG-OD1 3.46Å; L95-D171 HydrophobicContact CD2-CB 4.05Å; L95-D171 WeakPolarHBondContact CD2-OD2 3.34Å; R149-D171 VanDerWaalsContact CB-OD2 3.26Å; R149-D171 WeakPolarHBondContact CB-OD2 3.06Å; R149-D171 VanDerWaalsContact CG-OD2 3.29Å; R149-D171 WeakPolarHBondContact CG-OD2 3.38Å; R149-D171 IonicContact CZ-OD1 2.72Å; R149-D171 IonicContact CZ-OD2 2.98Å; R149-D171 PolarHBondContact N-OD2 3.22Å; R149-D171 IonicContact NE-OD1 3.83Å; R149-D171 PolarHBondContact NE-OD1 3.19Å; R149-D171 IonicContact NE-OD2 2.73Å; R149-D171 PolarHBondContact NE-OD2 2.7Å; R149-D171 IonicContact NH2-OD1 3.89Å; R149-D171 PolarHBondContact NH2-OD1 3.29Å; R149-D171 IonicContact NH2-OD2 3.78Å; F167-D171 PolarHBondContact O-N 3.16Å; G168-D171 WeakPolarHBondContact O-CB 3.47Å; G168-D171 PolarHBondContact O-N 2.65Å; L169-D171 VanDerWaalsContact C-N 3.27Å; L169-D171 PolarHBondContact O-N 2.83Å; D171-Q174 PolarHBondContact O-N 3.45Å; D171-A175 PolarHBondContact O-N 3.21Å
172Q98.9Very high97.4Very high0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-63.8-42.4176.1-60.5165.25.800111.4I117 I146 Y148 G168 L169 L170 Q174 A175 L176 S204I117-Q172 HydrophobicContact CG2-CG 4.44Å; I146-Q172 HydrophobicContact CD1-CB 4.06Å; I146-Q172 HydrophobicContact CD1-CG 3.97Å; Y148-Q172 HydrophobicContact CD1-CG 4.19Å; Y148-Q172 HydrophobicContact CG-CG 4.1Å; G168-Q172 WeakPolarHBondContact O-CG 3.3Å; G168-Q172 PolarHBondContact O-N 2.88Å; L169-Q172 WeakPolarHBondContact O-CB 3.26Å; L169-Q172 PolarHBondContact O-N 3.33Å; L169-Q172 VanDerWaalsContact O-N 3.16Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; Q172-Q174 VanDerWaalsContact C-N 3.32Å; Q172-Q174 PolarHBondContact O-N 2.9Å; Q172-A175 PolarHBondContact O-N 2.84Å; Q172-L176 WeakPolarHBondContact O-CG 3.43Å; Q172-L176 PolarHBondContact O-N 3.21Å; Q172-S204 PolarHBondContact NE2-OG 2.57Å; Q172-S204 VanDerWaalsContact OE1-CB 3.26Å
173I98.9Very high97.6Very high4 Ų418.1 Ų18.12%0.0219%0.087CC..Hα-helixtrans-58.1-44.9172.4-68.2-70.1000111L169 L170 A175 L176 K177 L208 L213 L217 F295L169-I173 PolarHBondContact O-N 3.43Å; L170-I173 PolarHBondContact O-N 3.24Å; I173-A175 VanDerWaalsContact C-N 3.35Å; I173-A175 PolarHBondContact O-N 3.07Å; I173-L176 PolarHBondContact O-N 3.49Å; I173-K177 HydrophobicContact CG2-CD 4.27Å; I173-K177 WeakPolarHBondContact O-CG 3.26Å; I173-K177 PolarHBondContact O-N 3.19Å; I173-L208 HydrophobicContact CD1-CD2 3.4Å; I173-L208 HydrophobicContact CG1-CD2 3.97Å; I173-L213 HydrophobicContact CD1-CB 4.13Å; I173-L213 HydrophobicContact CG1-CB 4.45Å; I173-L217 HydrophobicContact CD1-CD1 4.24Å; I173-L217 HydrophobicContact CG2-CD1 4.21Å; I173-F295 HydrophobicContact CD1-CE2 4.21Å; I173-F295 HydrophobicContact CG1-CD2 4.2Å; I173-F295 HydrophobicContact CG1-CE2 3.91Å
174Q98.9Very high97.9Very high22 Ų2223 Ų2310%0.10311%0.109CC..Hα-helixtrans-65.9-37.4179.2-177.152.951.500112F33 A34 P47 L170 D171 Q172 K177 W178F33-Q174 HydrophobicContact CD2-CB 4.35Å; F33-Q174 HydrophobicContact CD2-CG 4.07Å; F33-Q174 HydrophobicContact CE2-CB 4.37Å; F33-Q174 HydrophobicContact CE2-CG 4.45Å; F33-Q174 PolarHBondContact O-NE2 2.81Å; A34-Q174 HydrophobicContact CB-CG 3.99Å; P47-Q174 HydrophobicContact CB-CB 4.14Å; P47-Q174 HydrophobicContact CB-CG 4.2Å; P47-Q174 HydrophobicContact CG-CB 3.71Å; P47-Q174 HydrophobicContact CG-CG 4.26Å; L170-Q174 PolarHBondContact O-N 3.02Å; D171-Q174 PolarHBondContact O-N 3.45Å; Q172-Q174 VanDerWaalsContact C-N 3.32Å; Q172-Q174 PolarHBondContact O-N 2.9Å; Q174-K177 PolarHBondContact O-N 2.91Å; Q174-W178 PolarHBondContact O-N 3.34Å
175A98.9Very high98.2Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-64.3-41.417300000111.8F33 I146 D171 Q172 I173 W178 V179F33-A175 HydrophobicContact CD1-CB 4.16Å; F33-A175 HydrophobicContact CD2-CB 3.83Å; F33-A175 HydrophobicContact CE1-CB 4.19Å; F33-A175 HydrophobicContact CE2-CB 3.9Å; F33-A175 HydrophobicContact CG-CB 3.98Å; F33-A175 HydrophobicContact CZ-CB 4.07Å; I146-A175 HydrophobicContact CB-CB 4.16Å; I146-A175 HydrophobicContact CD1-CB 3.97Å; I146-A175 HydrophobicContact CG2-CB 3.87Å; D171-A175 PolarHBondContact O-N 3.21Å; Q172-A175 PolarHBondContact O-N 2.84Å; I173-A175 VanDerWaalsContact C-N 3.35Å; I173-A175 PolarHBondContact O-N 3.07Å; A175-W178 WeakPolarHBondContact O-CB 3.09Å; A175-W178 PolarHBondContact O-N 2.58Å; A175-V179 WeakPolarHBondContact O-CG2 3.33Å; A175-V179 PolarHBondContact O-N 3.33Å
176L98.9Very high98.4Very high1 Ų122 Ų221%0.00510%0.104CC..Hα-helixtrans-66.4-38.5176.6-68.1172.5000112.6V115 Q172 I173 W178 V179 K180 I195 L208 L217 F218V115-L176 HydrophobicContact CB-CD2 4.32Å; V115-L176 HydrophobicContact CG1-CD2 4.07Å; V115-L176 HydrophobicContact CG2-CD2 4.25Å; Q172-L176 WeakPolarHBondContact O-CG 3.43Å; Q172-L176 PolarHBondContact O-N 3.21Å; I173-L176 PolarHBondContact O-N 3.49Å; L176-W178 VanDerWaalsContact C-N 3.31Å; L176-W178 PolarHBondContact O-N 3.2Å; L176-V179 PolarHBondContact O-N 3.25Å; L176-K180 PolarHBondContact O-N 3.13Å; L176-I195 HydrophobicContact CD1-CG2 4.24Å; L176-I195 HydrophobicContact CD2-CG2 3.57Å; L176-L208 HydrophobicContact CD1-CD1 4.11Å; L176-L208 HydrophobicContact CD1-CD2 4.31Å; L176-L217 HydrophobicContact CB-CB 4.08Å; L176-L217 HydrophobicContact CB-CD1 3.95Å; L176-F218 HydrophobicContact CD1-CD1 4.39Å
177K98.8Very high98.5Very high86 Ų8622.2 Ų22.237%0.37411%0.106SC..Hα-helixtrans-59.2-44.1170.1-72.8174-179.7175.30111.2I173 Q174 V179 K180 E181 L217I173-K177 HydrophobicContact CG2-CD 4.27Å; I173-K177 WeakPolarHBondContact O-CG 3.26Å; I173-K177 PolarHBondContact O-N 3.19Å; Q174-K177 PolarHBondContact O-N 2.91Å; K177-V179 PolarHBondContact O-N 2.81Å; K177-K180 PolarHBondContact O-N 3.32Å; K177-E181 WeakPolarHBondContact O-CG 3.37Å; K177-E181 PolarHBondContact O-N 2.76Å; K177-L217 HydrophobicContact CG-CD1 4.08Å; K177-L217 HydrophobicContact CG-CD2 4.01Å
178W98.8Very high98.5Very high5 Ų522.1 Ų22.12%0.01911%0.106CC..Hα-helixtrans-60.4-44.4175.7-174.1100.4000112T6 V31 P32 F33 L97 I99 Q174 A175 L176 E181 N182 F186T6-W178 HydrophobicContact CG2-CZ2 4.48Å; V31-W178 HydrophobicContact CG1-CH2 4.01Å; V31-W178 HydrophobicContact CG1-CZ2 3.55Å; P32-W178 PolarHBondContact O-NE1 2.97Å; F33-W178 HydrophobicContact CB-CB 3.85Å; F33-W178 HydrophobicContact CB-CD2 4.4Å; F33-W178 HydrophobicContact CB-CG 3.76Å; L97-W178 HydrophobicContact CD1-CE3 4.17Å; L97-W178 HydrophobicContact CD1-CH2 4.12Å; L97-W178 HydrophobicContact CD1-CZ3 3.8Å; L97-W178 HydrophobicContact CD2-CD2 4.05Å; L97-W178 HydrophobicContact CD2-CE3 3.61Å; L97-W178 HydrophobicContact CD2-CZ3 4.1Å; L97-W178 HydrophobicContact CG-CE3 4.48Å; I99-W178 HydrophobicContact CD1-CH2 3.55Å; I99-W178 HydrophobicContact CD1-CZ3 3.73Å; Q174-W178 PolarHBondContact O-N 3.34Å; A175-W178 WeakPolarHBondContact O-CB 3.09Å; A175-W178 PolarHBondContact O-N 2.58Å; L176-W178 VanDerWaalsContact C-N 3.31Å; L176-W178 PolarHBondContact O-N 3.2Å; W178-E181 PolarHBondContact O-N 2.04Å; W178-N182 HydrophobicContact CD2-CB 4.19Å; W178-N182 HydrophobicContact CE3-CB 4.22Å; W178-N182 HydrophobicContact CH2-CB 3.87Å; W178-N182 HydrophobicContact CZ2-CB 3.86Å; W178-N182 HydrophobicContact CZ3-CB 4.06Å; W178-N182 WeakPolarHBondContact O-CB 3.43Å; W178-N182 PolarHBondContact O-N 2.78Å; W178-N182 PolarHBondContact O-ND2 3.49Å; W178-F186 AromaticContact CH2-CE2 3.72Å; W178-F186 HydrophobicContact CH2-CE2 3.72Å; W178-F186 HydrophobicContact CH2-CZ 4.11Å; W178-F186 HydrophobicContact CZ3-CE2 4.47Å
179V98.8Very high98.5Very high1 Ų123.5 Ų23.51%0.00611%0.113CC..Hα-helixtrans-58.2-52.4176.2168.10000110V113 V115 V144 A175 L176 K177 E181 N182 I183 V193V113-V179 HydrophobicContact CG1-CG1 4.07Å; V115-V179 HydrophobicContact CG2-CG1 4.28Å; V115-V179 HydrophobicContact CG2-CG2 4.29Å; V144-V179 HydrophobicContact CG1-CG2 4.07Å; A175-V179 WeakPolarHBondContact O-CG2 3.33Å; A175-V179 PolarHBondContact O-N 3.33Å; L176-V179 PolarHBondContact O-N 3.25Å; K177-V179 PolarHBondContact O-N 2.81Å; V179-E181 PolarHBondContact O-N 3.04Å; V179-E181 VanDerWaalsContact O-N 3.14Å; V179-N182 PolarHBondContact O-N 3.11Å; V179-I183 HydrophobicContact CG1-CB 3.93Å; V179-I183 HydrophobicContact CG1-CG1 4.21Å; V179-I183 HydrophobicContact CG1-CG2 4.06Å; V179-I183 WeakPolarHBondContact O-CB 3.27Å; V179-I183 WeakPolarHBondContact O-CG2 3.36Å; V179-I183 PolarHBondContact O-N 3.27Å; V179-V193 HydrophobicContact CG1-CG2 4.18Å
180K98.1Very high98.5Very high90 Ų9024.8 Ų24.839%0.39112%0.122SC..Hα-helixtrans-53.5-37.5177.9-175.3169.1-175.7166.80112.6L176 K177 P190 G216 L217L176-K180 PolarHBondContact O-N 3.13Å; K177-K180 PolarHBondContact O-N 3.32Å; K180-P190 WeakPolarHBondContact O-CB 3.35Å; K180-G216 PolarHBondContact NZ-O 2.98Å; K180-L217 HydrophobicContact CD-CD2 3.9Å
181E97.5Very high98.5Very high98 Ų9828.8 Ų28.846%0.45814%0.143SC..Hα-helixtrans-83.9-23.8-176.8-72.6177.4-165.300115.2K7 K177 W178 V179 H184K7-E181 HydrophobicContact CD-CB 4.42Å; K7-E181 WeakPolarHBondContact CE-O 3.37Å; K7-E181 PolarHBondContact NZ-O 3.42Å; K177-E181 WeakPolarHBondContact O-CG 3.37Å; K177-E181 PolarHBondContact O-N 2.76Å; W178-E181 PolarHBondContact O-N 2.04Å; V179-E181 PolarHBondContact O-N 3.04Å; V179-E181 VanDerWaalsContact O-N 3.14Å; E181-H184 PolarHBondContact O-CE1 2.78Å; E181-H184 VanDerWaalsContact O-CE1 3.29Å
182N98.3Very high98.5Very high1 Ų130.6 Ų30.61%0.00515%0.153CC..Hα-helixtrans-129.1-16.6-166-63-83.2000115.1K7 W178 V179 H184 S185K7-N182 WeakPolarHBondContact CB-OD1 3.3Å; K7-N182 PolarHBondContact N-OD1 3.36Å; K7-N182 VanDerWaalsContact N-OD1 3.13Å; W178-N182 HydrophobicContact CD2-CB 4.19Å; W178-N182 HydrophobicContact CE3-CB 4.22Å; W178-N182 HydrophobicContact CH2-CB 3.87Å; W178-N182 HydrophobicContact CZ2-CB 3.86Å; W178-N182 HydrophobicContact CZ3-CB 4.06Å; W178-N182 WeakPolarHBondContact O-CB 3.43Å; W178-N182 PolarHBondContact O-N 2.78Å; W178-N182 PolarHBondContact O-ND2 3.49Å; V179-N182 PolarHBondContact O-N 3.11Å; N182-H184 PolarHBondContact O-N 2.78Å; N182-S185 WeakPolarHBondContact O-CB 3.41Å; N182-S185 PolarHBondContact O-N 3.06Å; N182-S185 PolarHBondContact O-OG 3.14Å
183I98.6Very high98.5Very high0 Ų030.6 Ų30.60%015%0.153CC..G310 helixtrans-67-24.7-168.3-157.762.7000114I99 V113 V142 V144 V179 S185 F186 G188 P190I99-I183 HydrophobicContact CG2-CD1 4.38Å; V113-I183 HydrophobicContact CB-CG1 4.47Å; V113-I183 HydrophobicContact CG1-CD1 4.42Å; V113-I183 HydrophobicContact CG1-CG1 3.91Å; V113-I183 HydrophobicContact CG2-CB 4.46Å; V113-I183 HydrophobicContact CG2-CG1 3.67Å; V113-I183 HydrophobicContact CG2-CG2 3.97Å; V142-I183 HydrophobicContact CG1-CD1 3.72Å; V142-I183 HydrophobicContact CG1-CG1 4.16Å; V144-I183 HydrophobicContact CG2-CD1 3.62Å; V179-I183 HydrophobicContact CG1-CB 3.93Å; V179-I183 HydrophobicContact CG1-CG1 4.21Å; V179-I183 HydrophobicContact CG1-CG2 4.06Å; V179-I183 WeakPolarHBondContact O-CB 3.27Å; V179-I183 WeakPolarHBondContact O-CG2 3.36Å; V179-I183 PolarHBondContact O-N 3.27Å; I183-S185 PolarHBondContact O-N 2.87Å; I183-F186 HydrophobicContact CD1-CB 4.42Å; I183-F186 HydrophobicContact CD1-CD2 4.32Å; I183-F186 WeakPolarHBondContact O-CA 3.44Å; I183-F186 WeakPolarHBondContact O-CB 3.28Å; I183-F186 PolarHBondContact O-N 2.67Å; I183-G188 CarbonylContact C-O 3.55Å; I183-G188 PolarHBondContact O-N 3.14Å; I183-G188 VanDerWaalsContact O-N 3.13Å; I183-P190 HydrophobicContact CG2-CB 4.1Å
184H97.8Very high98.5Very high102 Ų10230.4 Ų30.447%0.47215%0.152SC..G310 helixtrans-55.2-33.2171.669.9-82.3000112.6E181 N182 F186 G187 G188E181-H184 PolarHBondContact O-CE1 2.78Å; E181-H184 VanDerWaalsContact O-CE1 3.29Å; N182-H184 PolarHBondContact O-N 2.78Å; H184-F186 PolarHBondContact O-N 3.26Å; H184-F186 VanDerWaalsContact O-N 3.13Å; H184-G187 PolarHBondContact O-N 3.48Å; H184-G188 WeakPolarHBondContact CA-O 3.43Å; H184-G188 PolarHBondContact N-O 3.04Å
185S97.4Very high98.5Very high31 Ų3129.4 Ų29.422%0.21715%0.147CC..G310 helixtrans-65.1-17.4177-480000112.9V4 Q5 N182 I183V4-S185 VanDerWaalsContact CG1-O 3.31Å; V4-S185 WeakPolarHBondContact CG1-O 3.37Å; Q5-S185 VanDerWaalsContact O-CB 3.28Å; Q5-S185 WeakPolarHBondContact O-CB 3.42Å; Q5-S185 PolarHBondContact O-OG 2.97Å; N182-S185 WeakPolarHBondContact O-CB 3.41Å; N182-S185 PolarHBondContact O-N 3.06Å; N182-S185 PolarHBondContact O-OG 3.14Å; I183-S185 PolarHBondContact O-N 2.87Å
186F98.2Very high98.5Very high0 Ų029.6 Ų29.60%015%0.148CC..G310 helixtrans-104.97.6178.6-56.3-93.6000112.4V4 T6 L11 F28 I99 S101 R105 W178 I183 H184V4-F186 HydrophobicContact CB-CD1 4.47Å; V4-F186 HydrophobicContact CB-CE1 4.11Å; V4-F186 HydrophobicContact CG1-CD1 4.13Å; V4-F186 HydrophobicContact CG1-CD2 4.42Å; V4-F186 HydrophobicContact CG1-CE1 3.82Å; V4-F186 HydrophobicContact CG1-CE2 4.14Å; V4-F186 HydrophobicContact CG1-CG 4.43Å; V4-F186 HydrophobicContact CG1-CZ 3.84Å; V4-F186 HydrophobicContact CG2-CD1 4.19Å; V4-F186 HydrophobicContact CG2-CE1 4.28Å; T6-F186 HydrophobicContact CG2-CE2 3.82Å; T6-F186 HydrophobicContact CG2-CZ 3.75Å; L11-F186 HydrophobicContact CD1-CE1 4.32Å; L11-F186 HydrophobicContact CD1-CZ 3.83Å; F28-F186 HydrophobicContact CB-CE1 4.2Å; F28-F186 HydrophobicContact CD1-CE1 4.08Å; F28-F186 AromaticContact CD2-CD1 3.67Å; F28-F186 HydrophobicContact CD2-CD1 3.67Å; F28-F186 AromaticContact CD2-CE1 3.63Å; F28-F186 HydrophobicContact CD2-CE1 3.63Å; F28-F186 HydrophobicContact CE1-CE1 4.37Å; F28-F186 AromaticContact CE2-CD1 3.78Å; F28-F186 HydrophobicContact CE2-CD1 3.78Å; F28-F186 AromaticContact CE2-CE1 3.97Å; F28-F186 HydrophobicContact CE2-CE1 3.97Å; F28-F186 HydrophobicContact CG-CD1 4.24Å; F28-F186 AromaticContact CG-CE1 3.7Å; F28-F186 HydrophobicContact CG-CE1 3.7Å; F28-F186 HydrophobicContact CZ-CD1 4.42Å; F28-F186 HydrophobicContact CZ-CE1 4.33Å; I99-F186 HydrophobicContact CB-CD1 4.47Å; I99-F186 HydrophobicContact CD1-CD1 4.01Å; I99-F186 HydrophobicContact CD1-CD2 4.02Å; I99-F186 HydrophobicContact CD1-CE1 3.69Å; I99-F186 HydrophobicContact CD1-CE2 3.71Å; I99-F186 HydrophobicContact CD1-CG 4.16Å; I99-F186 HydrophobicContact CD1-CZ 3.52Å; I99-F186 HydrophobicContact CG2-CB 4.19Å; I99-F186 HydrophobicContact CG2-CD1 3.93Å; I99-F186 HydrophobicContact CG2-CG 4.05Å; S101-F186 WeakPolarHBondContact CB-O 3.38Å; S101-F186 PolarHBondContact OG-O 3.21Å; R105-F186 PolarHBondContact NE-O 3.39Å; R105-F186 VanDerWaalsContact NE-O 3.16Å; W178-F186 AromaticContact CH2-CE2 3.72Å; W178-F186 HydrophobicContact CH2-CE2 3.72Å; W178-F186 HydrophobicContact CH2-CZ 4.11Å; W178-F186 HydrophobicContact CZ3-CE2 4.47Å; I183-F186 HydrophobicContact CD1-CB 4.42Å; I183-F186 HydrophobicContact CD1-CD2 4.32Å; I183-F186 WeakPolarHBondContact O-CA 3.44Å; I183-F186 WeakPolarHBondContact O-CB 3.28Å; I183-F186 PolarHBondContact O-N 2.67Å; H184-F186 PolarHBondContact O-N 3.26Å; H184-F186 VanDerWaalsContact O-N 3.13Å
187G98.3Very high98.5Very high5 Ų529.5 Ų29.55%0.05215%0.148CC..THydrogen-bonded Turntrans80.718.5-177.300000114.3A109 L111 H184A109-G187 CarbonylContact C-O 3.52Å; A109-G187 CarbonylContact O-C 3.58Å; A109-G187 VanDerWaalsContact O-CA 3.24Å; A109-G187 WeakPolarHBondContact O-CA 3.33Å; L111-G187 WeakPolarHBondContact CB-O 3.4Å; L111-G187 WeakPolarHBondContact CG-O 3.3Å; L111-G187 PolarHBondContact N-O 3.36Å; H184-G187 PolarHBondContact O-N 3.48Å
188G98.7Very high98.5Very high1 Ų125.4 Ų25.41%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-99.3146.4177.100000112.2L111 I183 H184 P190L111-G188 CarbonylContact O-C 3.59Å; L111-G188 WeakPolarHBondContact O-CA 3.28Å; I183-G188 CarbonylContact C-O 3.55Å; I183-G188 PolarHBondContact O-N 3.14Å; I183-G188 VanDerWaalsContact O-N 3.13Å; H184-G188 WeakPolarHBondContact CA-O 3.43Å; H184-G188 PolarHBondContact N-O 3.04Å; G188-P190 WeakPolarHBondContact O-CD 3.44Å
189N98.8Very high98.4Very high28 Ų2826 Ų2615%0.1513%0.134CC..EExtended strand (participates in β ladder)trans-88.1115.2176.7-171.6-22.6000110.7E110 L111 D191 L192E110-N189 HydrophobicContact CB-CB 4.01Å; L111-N189 PolarHBondContact O-N 2.88Å; N189-D191 PolarHBondContact O-N 3.2Å; N189-D191 WeakPolarHBondContact OD1-CA 3.38Å; N189-D191 WeakPolarHBondContact OD1-CB 3.17Å; N189-D191 PolarHBondContact OD1-N 2.67Å; N189-L192 HydrophobicContact CB-CB 3.89Å; N189-L192 PolarHBondContact O-N 2.92Å; N189-L192 VanDerWaalsContact O-N 3.09Å
190P98.4Very high98.4Very high27 Ų2726 Ų2618%0.17514%0.135CC..EExtended strand (participates in β ladder)trans-65.8-17.8178.429.1-35.4000113.5K180 I183 G188 V193 H219K180-P190 WeakPolarHBondContact O-CB 3.35Å; I183-P190 HydrophobicContact CG2-CB 4.1Å; G188-P190 WeakPolarHBondContact O-CD 3.44Å; P190-V193 WeakPolarHBondContact O-CG2 3.45Å; P190-H219 PolarHBondContact O-CE1 3.02Å
191D98.5Very high98.4Very high103 Ų10321.7 Ų21.755%0.55112%0.116SC*.EExtended strand (participates in β ladder)trans-94.37.8176.8-58-38.4000112.5N189 H219N189-D191 PolarHBondContact O-N 3.2Å; N189-D191 WeakPolarHBondContact OD1-CA 3.38Å; N189-D191 WeakPolarHBondContact OD1-CB 3.17Å; N189-D191 PolarHBondContact OD1-N 2.67Å; D191-H219 WeakPolarHBondContact CA-CE1 3.34Å; D191-H219 PolarHBondContact O-CD2 2.93Å; D191-H219 VanDerWaalsContact O-CD2 3.28Å; D191-H219 PolarHBondContact O-CE1 2.64Å; D191-H219 PolarHBondContact O-ND1 2.95Å; D191-H219 PolarHBondContact O-NE2 3.37Å
192L98.6Very high98.5Very high37 Ų3717 Ų1719%0.1949%0.094CC..EExtended strand (participates in β ladder)trans-135.548.9178.8-153.972.9000112P112 V113 N189P112-L192 HydrophobicContact CB-CD2 3.86Å; P112-L192 HydrophobicContact CB-CG 4.34Å; P112-L192 HydrophobicContact CG-CD2 3.79Å; V113-L192 PolarHBondContact N-O 2.98Å; N189-L192 HydrophobicContact CB-CB 3.89Å; N189-L192 PolarHBondContact O-N 2.92Å; N189-L192 VanDerWaalsContact O-N 3.09Å
193V98.9Very high98.5Very high1 Ų117 Ų171%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-92.7128.5-178.4-179.50000111.3V113 V115 V179 P190 F218 H219 R220V113-V193 HydrophobicContact CB-CG2 4.08Å; V113-V193 HydrophobicContact CG2-CG2 4.45Å; V113-V193 CarbonylContact O-C 3.51Å; V115-V193 HydrophobicContact CG2-CG1 3.81Å; V179-V193 HydrophobicContact CG1-CG2 4.18Å; P190-V193 WeakPolarHBondContact O-CG2 3.45Å; V193-F218 HydrophobicContact CB-CB 4.4Å; V193-F218 HydrophobicContact CG1-CB 4.12Å; V193-H219 PolarHBondContact N-ND1 3.43Å; V193-H219 PolarHBondContact O-N 3.21Å; V193-R220 PolarHBondContact O-N 3.19Å
194T99Very high98.5Very high0 Ų017 Ų170%09%0.094CC..EExtended strand (participates in β ladder)trans-112.7123.6171.7-55.80000109V113 M114 V115 R220 I222 F482 A483V113-T194 PolarHBondContact O-N 3.35Å; M114-T194 CarbonylContact C-O 3.54Å; M114-T194 WeakPolarHBondContact CA-O 3.46Å; V115-T194 PolarHBondContact N-O 3.28Å; T194-R220 WeakPolarHBondContact CA-O 3.43Å; T194-R220 HydrophobicContact CG2-CB 3.86Å; T194-I222 HydrophobicContact CG2-CD1 4.21Å; T194-I222 HydrophobicContact CG2-CG1 4.14Å; T194-F482 HydrophobicContact CG2-CD1 4.35Å; T194-F482 HydrophobicContact CG2-CE1 4.33Å; T194-A483 WeakPolarHBondContact OG1-CA 3.22Å
195I98.9Very high98.6Very high0 Ų012.1 Ų12.10%07%0.071CC..EExtended strand (participates in β ladder)trans-89.9137.5169.358.9172.2000109.4V115 L176 V205 L208 F218 R220 A221 I222V115-I195 HydrophobicContact CB-CG2 4.31Å; L176-I195 HydrophobicContact CD1-CG2 4.24Å; L176-I195 HydrophobicContact CD2-CG2 3.57Å; I195-V205 HydrophobicContact CB-CG2 4.25Å; I195-V205 HydrophobicContact CD1-CB 4.27Å; I195-V205 HydrophobicContact CD1-CG1 3.94Å; I195-V205 HydrophobicContact CD1-CG2 4.17Å; I195-V205 HydrophobicContact CG1-CG1 3.99Å; I195-V205 HydrophobicContact CG1-CG2 4.15Å; I195-L208 HydrophobicContact CD1-CB 3.93Å; I195-L208 HydrophobicContact CD1-CD1 3.85Å; I195-F218 HydrophobicContact CD1-CD1 3.85Å; I195-F218 HydrophobicContact CD1-CD2 3.89Å; I195-F218 HydrophobicContact CD1-CE1 3.72Å; I195-F218 HydrophobicContact CD1-CE2 3.76Å; I195-F218 HydrophobicContact CD1-CG 3.94Å; I195-F218 HydrophobicContact CD1-CZ 3.68Å; I195-F218 HydrophobicContact CG1-CD1 4.39Å; I195-F218 HydrophobicContact CG1-CD2 3.84Å; I195-F218 HydrophobicContact CG1-CE2 4.12Å; I195-F218 HydrophobicContact CG1-CG 3.99Å; I195-F218 HydrophobicContact CG2-CB 3.9Å; I195-F218 HydrophobicContact CG2-CD1 4.29Å; I195-F218 HydrophobicContact CG2-CG 4.07Å; I195-R220 PolarHBondContact N-O 3.49Å; I195-A221 HydrophobicContact CD1-CB 4.48Å; I195-A221 HydrophobicContact CG1-CB 4.03Å; I195-A221 CarbonylContact O-C 3.53Å; I195-A221 WeakPolarHBondContact O-CA 3.43Å; I195-I222 PolarHBondContact O-N 3.01Å
196F98.9Very high98.6Very high4 Ų410.7 Ų10.72%0.0186%0.061CC..EExtended strand (participates in β ladder)trans-145.2147.4175.974.7-55.3000111.6M114 V115 W116 I117 L135 I222M114-F196 HydrophobicContact CB-CD1 4.18Å; M114-F196 HydrophobicContact CB-CE1 3.77Å; M114-F196 HydrophobicContact CB-CZ 4.47Å; M114-F196 HydrophobicContact CE-CD1 4.25Å; M114-F196 HydrophobicContact CE-CD2 4.33Å; M114-F196 HydrophobicContact CE-CE1 4.34Å; M114-F196 HydrophobicContact CE-CE2 4.4Å; M114-F196 HydrophobicContact CE-CG 4.28Å; M114-F196 HydrophobicContact CE-CZ 4.42Å; V115-F196 VanDerWaalsContact O-CD1 3.3Å; V115-F196 WeakPolarHBondContact O-CD1 3.46Å; V115-F196 PolarHBondContact O-N 2.83Å; W116-F196 CarbonylContact C-O 3Å; W116-F196 VanDerWaalsContact CA-O 3.26Å; W116-F196 WeakPolarHBondContact CA-O 3.08Å; W116-F196 HydrophobicContact CB-CD1 4.32Å; W116-F196 HydrophobicContact CB-CE1 3.63Å; W116-F196 HydrophobicContact CB-CZ 3.82Å; W116-F196 HydrophobicContact CD2-CE2 4.3Å; W116-F196 HydrophobicContact CD2-CZ 4.28Å; W116-F196 HydrophobicContact CE3-CD1 4.21Å; W116-F196 AromaticContact CE3-CD2 3.44Å; W116-F196 HydrophobicContact CE3-CD2 3.44Å; W116-F196 VanDerWaalsContact CE3-CD2 3.44Å; W116-F196 HydrophobicContact CE3-CE1 4.11Å; W116-F196 AromaticContact CE3-CE2 3.33Å; W116-F196 HydrophobicContact CE3-CE2 3.33Å; W116-F196 AromaticContact CE3-CG 3.88Å; W116-F196 HydrophobicContact CE3-CG 3.88Å; W116-F196 AromaticContact CE3-CZ 3.68Å; W116-F196 HydrophobicContact CE3-CZ 3.68Å; W116-F196 HydrophobicContact CG-CZ 4.39Å; W116-F196 AromaticContact CZ3-CD2 3.69Å; W116-F196 HydrophobicContact CZ3-CD2 3.69Å; W116-F196 AromaticContact CZ3-CE2 3.78Å; W116-F196 HydrophobicContact CZ3-CE2 3.78Å; W116-F196 HydrophobicContact CZ3-CG 4.4Å; I117-F196 PolarHBondContact N-O 3.35Å; L135-F196 HydrophobicContact CD2-CE2 4.13Å; L135-F196 HydrophobicContact CD2-CZ 3.79Å; F196-I222 VanDerWaalsContact CA-O 3.26Å; F196-I222 WeakPolarHBondContact CA-O 3.23Å; F196-I222 HydrophobicContact CB-CB 3.68Å; F196-I222 HydrophobicContact CB-CD1 4.2Å; F196-I222 HydrophobicContact CB-CG1 4.22Å; F196-I222 HydrophobicContact CB-CG2 4.44Å
197G98.8Very high98.6Very high0 Ų010.7 Ų10.70%06%0.061CC..EExtended strand (participates in β ladder)trans-166.5162.4-177.900000112.1I117 G202 I222 Q224I117-G197 WeakPolarHBondContact O-CA 3.48Å; G197-G202 VanDerWaalsContact C-N 3.32Å; G197-G202 WeakPolarHBondContact O-CA 3.48Å; G197-I222 PolarHBondContact N-O 3.49Å; G197-Q224 WeakPolarHBondContact O-CB 3.35Å; G197-Q224 PolarHBondContact O-N 3.44Å
198V98.4Very high98.7Very high0 Ų010.4 Ų10.40%06%0.059CC..EExtended strand (participates in β ladder)trans-117.9146.1-179.370.20000111.7W116 G119 A200 G201 G202 Q224 L442 E444 V445W116-V198 HydrophobicContact CH2-CB 3.68Å; W116-V198 HydrophobicContact CH2-CG1 3.48Å; W116-V198 VanDerWaalsContact CH2-CG1 3.48Å; W116-V198 HydrophobicContact CZ2-CB 4.32Å; W116-V198 HydrophobicContact CZ2-CG1 3.61Å; G119-V198 WeakPolarHBondContact CA-O 3.36Å; G119-V198 PolarHBondContact N-O 2.98Å; V198-A200 PolarHBondContact O-N 3.13Å; V198-G201 WeakPolarHBondContact O-CA 3.42Å; V198-G201 PolarHBondContact O-N 3.03Å; V198-G202 VanDerWaalsContact C-N 3.34Å; V198-G202 PolarHBondContact O-N 3.3Å; V198-Q224 CarbonylContact C-O 3.54Å; V198-Q224 VanDerWaalsContact CA-O 3.23Å; V198-Q224 WeakPolarHBondContact CA-O 3.27Å; V198-Q224 HydrophobicContact CB-CB 4.18Å; V198-Q224 HydrophobicContact CG2-CB 4.02Å; V198-L442 HydrophobicContact CB-CD2 4.17Å; V198-L442 HydrophobicContact CG1-CD2 3.69Å; V198-L442 HydrophobicContact CG2-CD2 3.37Å; V198-E444 WeakPolarHBondContact CG2-OE1 3.34Å; V198-V445 HydrophobicContact CB-CG2 3.89Å; V198-V445 HydrophobicContact CG1-CG2 3.96Å; V198-V445 HydrophobicContact CG2-CG2 3.69Å
199S98.1Very high98.7Very high17 Ų1710.4 Ų10.412%0.1196%0.058CC..THydrogen-bonded Turntrans57.7-125175.2-167.80000110.6G201 G202 I203 Q224 S225 H441S199-G201 PolarHBondContact O-N 3.42Å; S199-G201 VanDerWaalsContact O-N 3.14Å; S199-G202 CarbonylContact O-C 3.56Å; S199-G202 WeakPolarHBondContact O-CA 3.43Å; S199-G202 PolarHBondContact O-N 3.21Å; S199-I203 WeakPolarHBondContact O-CG1 3.41Å; S199-I203 PolarHBondContact O-N 3.42Å; S199-Q224 PolarHBondContact N-O 2.8Å; S199-S225 WeakPolarHBondContact CA-O 3.34Å; S199-H441 WeakPolarHBondContact CB-NE2 3.26Å; S199-H441 PolarHBondContact OG-NE2 3.18Å
200A97.8Very high98.7Very high1 Ų19.4 Ų9.41%0.0085%0.053CC..Hα-helixtrans-54.2-28.8171.200000114.6F122 V198 S204F122-A200 HydrophobicContact CD1-CB 4.13Å; F122-A200 HydrophobicContact CD2-CB 3.96Å; F122-A200 HydrophobicContact CE1-CB 4.13Å; F122-A200 HydrophobicContact CE2-CB 3.94Å; F122-A200 HydrophobicContact CG-CB 4.07Å; F122-A200 HydrophobicContact CZ-CB 4.03Å; F122-A200 WeakPolarHBondContact CZ-O 3.24Å; V198-A200 PolarHBondContact O-N 3.13Å; A200-S204 WeakPolarHBondContact O-CB 3.41Å; A200-S204 PolarHBondContact O-N 3.49Å; A200-S204 PolarHBondContact O-OG 3Å
201G98.7Very high98.7Very high0 Ų08.2 Ų8.20%05%0.045CC..Hα-helixtrans-71.9-35.4170.500000112.7I117 H118 V198 S199 S204 V205I117-G201 WeakPolarHBondContact O-CA 3.22Å; H118-G201 WeakPolarHBondContact O-CA 3.47Å; H118-G201 PolarHBondContact O-N 3.1Å; V198-G201 WeakPolarHBondContact O-CA 3.42Å; V198-G201 PolarHBondContact O-N 3.03Å; S199-G201 PolarHBondContact O-N 3.42Å; S199-G201 VanDerWaalsContact O-N 3.14Å; G201-S204 VanDerWaalsContact O-CB 3.31Å; G201-S204 WeakPolarHBondContact O-CB 3.47Å; G201-S204 PolarHBondContact O-N 3.28Å; G201-V205 WeakPolarHBondContact O-CG2 3.17Å; G201-V205 PolarHBondContact O-N 3.43Å
202G98.8Very high98.6Very high0 Ų06.9 Ų6.90%04%0.042CC..Hα-helixtrans-67.6-41.1171.200000111.9G197 V198 S199 S204 V205 S206 G226G197-G202 VanDerWaalsContact C-N 3.32Å; G197-G202 WeakPolarHBondContact O-CA 3.48Å; V198-G202 VanDerWaalsContact C-N 3.34Å; V198-G202 PolarHBondContact O-N 3.3Å; S199-G202 CarbonylContact O-C 3.56Å; S199-G202 WeakPolarHBondContact O-CA 3.43Å; S199-G202 PolarHBondContact O-N 3.21Å; G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 3.01Å; G202-V205 PolarHBondContact O-N 3.12Å; G202-S206 WeakPolarHBondContact O-CB 3.42Å; G202-S206 PolarHBondContact O-N 2.85Å; G202-G226 CarbonylContact C-O 3.56Å; G202-G226 WeakPolarHBondContact CA-O 3.4Å
203I98.6Very high98.6Very high0 Ų07.4 Ų7.40%05%0.045CC..Hα-helixtrans-57.5-47.5170-60.2173.3000109.5F122 S199 V205 S206 L207 G226 T227 M230 L233 M234F122-I203 HydrophobicContact CE2-CB 4.26Å; F122-I203 HydrophobicContact CE2-CD1 4.11Å; F122-I203 HydrophobicContact CE2-CG2 4.01Å; F122-I203 HydrophobicContact CZ-CB 3.95Å; F122-I203 HydrophobicContact CZ-CG2 3.77Å; S199-I203 WeakPolarHBondContact O-CG1 3.41Å; S199-I203 PolarHBondContact O-N 3.42Å; I203-V205 PolarHBondContact O-N 3.2Å; I203-S206 CarbonylContact O-C 3.53Å; I203-S206 PolarHBondContact O-N 3.33Å; I203-S206 VanDerWaalsContact O-N 3.16Å; I203-L207 HydrophobicContact CG2-CD1 3.75Å; I203-L207 HydrophobicContact CG2-CG 4.12Å; I203-L207 WeakPolarHBondContact O-CB 3.41Å; I203-L207 VanDerWaalsContact O-CG 3.29Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 3.33Å; I203-G226 PolarHBondContact N-O 3.41Å; I203-T227 WeakPolarHBondContact CG1-O 3.39Å; I203-M230 HydrophobicContact CD1-CB 4.15Å; I203-M230 HydrophobicContact CD1-CE 4.07Å; I203-M230 HydrophobicContact CD1-CG 4.38Å; I203-M230 HydrophobicContact CD1-SD 3.61Å; I203-M230 HydrophobicContact CG1-CG 4.42Å; I203-M230 HydrophobicContact CG1-SD 3.71Å; I203-L233 HydrophobicContact CD1-CB 4.5Å; I203-L233 HydrophobicContact CD1-CD1 3.35Å; I203-M234 HydrophobicContact CG2-CE 3.48Å; I203-M234 VanDerWaalsContact CG2-CE 3.48Å
204S98.9Very high98.6Very high0 Ų07.4 Ų7.40%05%0.045CC..Hα-helixtrans-56.5-47.8176.5-63.20000112.2F122 Q172 A200 G201 G202 S206 L207 L208F122-S204 WeakPolarHBondContact CE1-OG 3.31Å; Q172-S204 PolarHBondContact NE2-OG 2.57Å; Q172-S204 VanDerWaalsContact OE1-CB 3.26Å; A200-S204 WeakPolarHBondContact O-CB 3.41Å; A200-S204 PolarHBondContact O-N 3.49Å; A200-S204 PolarHBondContact O-OG 3Å; G201-S204 VanDerWaalsContact O-CB 3.31Å; G201-S204 WeakPolarHBondContact O-CB 3.47Å; G201-S204 PolarHBondContact O-N 3.28Å; G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 3.01Å; S204-S206 VanDerWaalsContact C-N 3.33Å; S204-S206 PolarHBondContact O-N 2.88Å; S204-L207 PolarHBondContact O-N 2.89Å; S204-L208 WeakPolarHBondContact O-CB 3.37Å; S204-L208 VanDerWaalsContact O-CG 3.24Å; S204-L208 WeakPolarHBondContact O-CG 3.41Å; S204-L208 PolarHBondContact O-N 2.79Å
205V98.9Very high98.5Very high0 Ų012.9 Ų12.90%07%0.074CC..Hα-helixtrans-57.2-47.5174.6167.10000111.3I117 I195 G201 G202 I203 L207 L208 L209 A221 A223I117-V205 HydrophobicContact CD1-CG2 4.09Å; I195-V205 HydrophobicContact CB-CG2 4.25Å; I195-V205 HydrophobicContact CD1-CB 4.27Å; I195-V205 HydrophobicContact CD1-CG1 3.94Å; I195-V205 HydrophobicContact CD1-CG2 4.17Å; I195-V205 HydrophobicContact CG1-CG1 3.99Å; I195-V205 HydrophobicContact CG1-CG2 4.15Å; G201-V205 WeakPolarHBondContact O-CG2 3.17Å; G201-V205 PolarHBondContact O-N 3.43Å; G202-V205 PolarHBondContact O-N 3.12Å; I203-V205 PolarHBondContact O-N 3.2Å; V205-L207 VanDerWaalsContact C-N 3.32Å; V205-L207 PolarHBondContact O-N 3.24Å; V205-L208 PolarHBondContact O-N 3.39Å; V205-L209 PolarHBondContact O-N 3.28Å; V205-L209 VanDerWaalsContact O-N 3.12Å; V205-A221 HydrophobicContact CG1-CB 3.71Å; V205-A223 HydrophobicContact CB-CB 4.46Å; V205-A223 HydrophobicContact CG1-CB 4.23Å
206S98.8Very high98.5Very high0 Ų014.3 Ų14.30%09%0.089CC..Hα-helixtrans-65.4-33.5178.8-174.60000112.9G202 I203 S204 L210 A228G202-S206 WeakPolarHBondContact O-CB 3.42Å; G202-S206 PolarHBondContact O-N 2.85Å; I203-S206 CarbonylContact O-C 3.53Å; I203-S206 PolarHBondContact O-N 3.33Å; I203-S206 VanDerWaalsContact O-N 3.16Å; S204-S206 VanDerWaalsContact C-N 3.33Å; S204-S206 PolarHBondContact O-N 2.88Å; S206-L210 WeakPolarHBondContact O-CG 3.14Å; S206-A228 VanDerWaalsContact OG-CB 3.3Å; S206-A228 WeakPolarHBondContact OG-CB 3.35Å; S206-A228 PolarHBondContact OG-N 2.69Å
207L98.7Very high98.5Very high0 Ų014.8 Ų14.80%09%0.092CC..Hα-helixtrans-73.9-37176-75.7173000111.8L169 I203 S204 V205 L209 L210 S211 A228 M234 I289 F295 L296 V300L169-L207 HydrophobicContact CD1-CD1 3.97Å; L169-L207 HydrophobicContact CD2-CD1 4.14Å; I203-L207 HydrophobicContact CG2-CD1 3.75Å; I203-L207 HydrophobicContact CG2-CG 4.12Å; I203-L207 WeakPolarHBondContact O-CB 3.41Å; I203-L207 VanDerWaalsContact O-CG 3.29Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 3.33Å; S204-L207 PolarHBondContact O-N 2.89Å; V205-L207 VanDerWaalsContact C-N 3.32Å; V205-L207 PolarHBondContact O-N 3.24Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L207-L209 PolarHBondContact O-N 3.09Å; L207-L210 CarbonylContact O-C 3.5Å; L207-L210 WeakPolarHBondContact O-CA 3.41Å; L207-L210 WeakPolarHBondContact O-CB 3.25Å; L207-L210 PolarHBondContact O-N 3.23Å; L207-S211 PolarHBondContact O-N 3.23Å; L207-A228 HydrophobicContact CD2-CB 3.72Å; L207-A228 HydrophobicContact CG-CB 4.04Å; L207-M234 HydrophobicContact CD1-CE 4.25Å; L207-M234 HydrophobicContact CD2-CE 4.22Å; L207-M234 HydrophobicContact CD2-SD 4.32Å; L207-M234 HydrophobicContact CG-CE 4.45Å; L207-I289 HydrophobicContact CD1-CD1 4.37Å; L207-I289 HydrophobicContact CD1-CG1 4Å; L207-I289 HydrophobicContact CD1-CG2 3.99Å; L207-F295 HydrophobicContact CB-CE1 4.05Å; L207-F295 HydrophobicContact CB-CZ 4.26Å; L207-L296 HydrophobicContact CD2-CD1 4.03Å; L207-L296 HydrophobicContact CD2-CD2 4.14Å; L207-V300 HydrophobicContact CD2-CG2 4.13Å
208L98.9Very high98.5Very high0 Ų015.1 Ų15.10%09%0.093CC..Hα-helixtrans-61.2-38.1173.3-72.4164.9000110.8I117 I173 L176 I195 S204 V205 L210 S211 S214 F218 F295I117-L208 HydrophobicContact CD1-CD1 3.7Å; I173-L208 HydrophobicContact CD1-CD2 3.4Å; I173-L208 HydrophobicContact CG1-CD2 3.97Å; L176-L208 HydrophobicContact CD1-CD1 4.11Å; L176-L208 HydrophobicContact CD1-CD2 4.31Å; I195-L208 HydrophobicContact CD1-CB 3.93Å; I195-L208 HydrophobicContact CD1-CD1 3.85Å; S204-L208 WeakPolarHBondContact O-CB 3.37Å; S204-L208 VanDerWaalsContact O-CG 3.24Å; S204-L208 WeakPolarHBondContact O-CG 3.41Å; S204-L208 PolarHBondContact O-N 2.79Å; V205-L208 PolarHBondContact O-N 3.39Å; L208-L210 PolarHBondContact O-N 3.2Å; L208-S211 PolarHBondContact O-N 3Å; L208-S214 WeakPolarHBondContact O-CB 3.41Å; L208-S214 PolarHBondContact O-OG 2.86Å; L208-F218 HydrophobicContact CB-CE1 4.13Å; L208-F218 HydrophobicContact CB-CZ 4.38Å; L208-F295 HydrophobicContact CD2-CE2 3.96Å; L208-F295 HydrophobicContact CD2-CZ 4.14Å
209L98.8Very high98.5Very high0 Ų017.8 Ų17.80%011%0.105CC..THydrogen-bonded Turntrans-61.2-21.2171.9-73.2166.4000113.9V205 L207 F218 A221 L310 V312 F314V205-L209 PolarHBondContact O-N 3.28Å; V205-L209 VanDerWaalsContact O-N 3.12Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L207-L209 PolarHBondContact O-N 3.09Å; L209-F218 HydrophobicContact CD2-CE2 3.64Å; L209-F218 HydrophobicContact CD2-CZ 3.9Å; L209-F218 HydrophobicContact CG-CE2 4.31Å; L209-F218 HydrophobicContact CG-CZ 4.27Å; L209-A221 HydrophobicContact CD1-CB 3.75Å; L209-A221 HydrophobicContact CD2-CB 3.95Å; L209-A221 HydrophobicContact CG-CB 4.04Å; L209-L310 HydrophobicContact CD2-CB 4.16Å; L209-L310 PolarHBondContact O-N 3.02Å; L209-V312 HydrophobicContact CD2-CG2 3.52Å; L209-F314 HydrophobicContact CD1-CD2 3.74Å; L209-F314 HydrophobicContact CD1-CE2 3.75Å; L209-F314 HydrophobicContact CD1-CG 4.22Å; L209-F314 HydrophobicContact CD1-CZ 4.24Å
210L98.5Very high98.5Very high7 Ų718.3 Ų18.34%0.03711%0.105CC..THydrogen-bonded Turntrans-98.8-14.4179.6-58.7-178.2000113.3S206 L207 L208 A228 L296 V300 L303 L304 L309S206-L210 WeakPolarHBondContact O-CG 3.14Å; L207-L210 CarbonylContact O-C 3.5Å; L207-L210 WeakPolarHBondContact O-CA 3.41Å; L207-L210 WeakPolarHBondContact O-CB 3.25Å; L207-L210 PolarHBondContact O-N 3.23Å; L208-L210 PolarHBondContact O-N 3.2Å; L210-A228 HydrophobicContact CD1-CB 3.67Å; L210-L296 HydrophobicContact CB-CD2 4.29Å; L210-V300 HydrophobicContact CD1-CB 4.42Å; L210-V300 HydrophobicContact CD1-CG1 3.78Å; L210-V300 HydrophobicContact CD1-CG2 4.11Å; L210-L303 HydrophobicContact CB-CD1 4.07Å; L210-L303 HydrophobicContact CD1-CD1 4.46Å; L210-L303 HydrophobicContact CD2-CB 4.44Å; L210-L304 HydrophobicContact CD1-CD2 4.38Å; L210-L304 HydrophobicContact CD2-CD2 3.89Å; L210-L309 HydrophobicContact CD2-CB 3.59Å
211S98.4Very high98.6Very high2 Ų218.2 Ų18.21%0.01410%0.104CC..  trans-88.8129.7-175.5-173.70000111.7L207 L208 L213 S214 F295L207-S211 PolarHBondContact O-N 3.23Å; L208-S211 PolarHBondContact O-N 3Å; S211-L213 PolarHBondContact O-N 2.89Å; S211-L213 PolarHBondContact OG-N 3.31Å; S211-S214 PolarHBondContact O-N 3.47Å; S211-S214 PolarHBondContact O-OG 2.89Å; S211-F295 WeakPolarHBondContact CA-O 3.46Å; S211-F295 VanDerWaalsContact CB-O 3.23Å; S211-F295 WeakPolarHBondContact CB-O 3.33Å; S211-F295 WeakPolarHBondContact OG-CD2 3.36Å; S211-F295 PolarHBondContact OG-O 3.1Å
212P97.4Very high98.6Very high75 Ų7518.2 Ų18.249%0.48710%0.104SC..G310 helixtrans-65.9-20.1172.928.1-35.1000112.8S214 D215 T297P212-S214 PolarHBondContact O-N 3.21Å; P212-D215 PolarHBondContact O-N 3.38Å; P212-T297 HydrophobicContact CG-CG2 4.06Å
213L98.4Very high98.6Very high49 Ų4918.2 Ų18.226%0.25710%0.104SC..G310 helixtrans-70.9-15.9-179.5-59.5-177000113.5L170 I173 S211 F295L170-L213 HydrophobicContact CD2-CD1 3.87Å; I173-L213 HydrophobicContact CD1-CB 4.13Å; I173-L213 HydrophobicContact CG1-CB 4.45Å; S211-L213 PolarHBondContact O-N 2.89Å; S211-L213 PolarHBondContact OG-N 3.31Å; L213-F295 HydrophobicContact CD1-CB 4.26Å; L213-F295 HydrophobicContact CD1-CD2 4.3Å
214S98.5Very high98.6Very high0 Ų018.2 Ų18.20%010%0.104CC..G310 helixtrans-97.3-5.9-175.282.40000113.2L208 S211 P212 G216 L217 L310L208-S214 WeakPolarHBondContact O-CB 3.41Å; L208-S214 PolarHBondContact O-OG 2.86Å; S211-S214 PolarHBondContact O-N 3.47Å; S211-S214 PolarHBondContact O-OG 2.89Å; P212-S214 PolarHBondContact O-N 3.21Å; S214-G216 PolarHBondContact O-N 3.18Å; S214-L217 VanDerWaalsContact O-CB 3.27Å; S214-L217 WeakPolarHBondContact O-CB 3.43Å; S214-L217 WeakPolarHBondContact O-CG 3.41Å; S214-L217 PolarHBondContact O-N 3.41Å; S214-L310 VanDerWaalsContact OG-CD1 3.28Å; S214-L310 WeakPolarHBondContact OG-CD1 3.45Å
215D97.8Very high98.6Very high116 Ų11618.2 Ų18.262%0.6210%0.104SC*.THydrogen-bonded Turntrans-57.3131.2-177.2-172.118.4000111.5P212 L217 L310P212-D215 PolarHBondContact O-N 3.38Å; D215-L217 PolarHBondContact O-N 3.16Å; D215-L310 HydrophobicContact CB-CD2 4.24Å
216G97.9Very high98.5Very high30 Ų3018.3 Ų18.331%0.30911%0.105SC..THydrogen-bonded Turntrans65.813.6-175.800000115.7K180 S214K180-G216 PolarHBondContact NZ-O 2.98Å; S214-G216 PolarHBondContact O-N 3.18Å
217L98.9Very high98.5Very high14 Ų1418.4 Ų18.47%0.07311%0.105CC..SBendtrans-93.1-19.6173.5-60.6-174.3000113.5I173 L176 K177 K180 S214 D215I173-L217 HydrophobicContact CD1-CD1 4.24Å; I173-L217 HydrophobicContact CG2-CD1 4.21Å; L176-L217 HydrophobicContact CB-CB 4.08Å; L176-L217 HydrophobicContact CB-CD1 3.95Å; K177-L217 HydrophobicContact CG-CD1 4.08Å; K177-L217 HydrophobicContact CG-CD2 4.01Å; K180-L217 HydrophobicContact CD-CD2 3.9Å; S214-L217 VanDerWaalsContact O-CB 3.27Å; S214-L217 WeakPolarHBondContact O-CB 3.43Å; S214-L217 WeakPolarHBondContact O-CG 3.41Å; S214-L217 PolarHBondContact O-N 3.41Å; D215-L217 PolarHBondContact O-N 3.16Å
218F98.9Very high98.4Very high7 Ų718.4 Ų18.43%0.03111%0.105CC..  trans-149.5166.4175.963.7-88000110.9L176 V193 I195 L208 L209 A221 L310 V312L176-F218 HydrophobicContact CD1-CD1 4.39Å; V193-F218 HydrophobicContact CB-CB 4.4Å; V193-F218 HydrophobicContact CG1-CB 4.12Å; I195-F218 HydrophobicContact CD1-CD1 3.85Å; I195-F218 HydrophobicContact CD1-CD2 3.89Å; I195-F218 HydrophobicContact CD1-CE1 3.72Å; I195-F218 HydrophobicContact CD1-CE2 3.76Å; I195-F218 HydrophobicContact CD1-CG 3.94Å; I195-F218 HydrophobicContact CD1-CZ 3.68Å; I195-F218 HydrophobicContact CG1-CD1 4.39Å; I195-F218 HydrophobicContact CG1-CD2 3.84Å; I195-F218 HydrophobicContact CG1-CE2 4.12Å; I195-F218 HydrophobicContact CG1-CG 3.99Å; I195-F218 HydrophobicContact CG2-CB 3.9Å; I195-F218 HydrophobicContact CG2-CD1 4.29Å; I195-F218 HydrophobicContact CG2-CG 4.07Å; L208-F218 HydrophobicContact CB-CE1 4.13Å; L208-F218 HydrophobicContact CB-CZ 4.38Å; L209-F218 HydrophobicContact CD2-CE2 3.64Å; L209-F218 HydrophobicContact CD2-CZ 3.9Å; L209-F218 HydrophobicContact CG-CE2 4.31Å; L209-F218 HydrophobicContact CG-CZ 4.27Å; F218-A221 HydrophobicContact CE2-CB 4.28Å; F218-L310 HydrophobicContact CE1-CD1 4.24Å; F218-L310 HydrophobicContact CZ-CD1 3.83Å; F218-V312 HydrophobicContact CD2-CG2 4.2Å; F218-V312 HydrophobicContact CE2-CG2 3.77Å
219H98.8Very high98.2Very high55 Ų5518.6 Ų18.626%0.25511%0.107SC..SBendtrans-125.8-11.8-167.9-57.377.6000112.3P190 D191 V193 V312 P313P190-H219 PolarHBondContact O-CE1 3.02Å; D191-H219 WeakPolarHBondContact CA-CE1 3.34Å; D191-H219 PolarHBondContact O-CD2 2.93Å; D191-H219 VanDerWaalsContact O-CD2 3.28Å; D191-H219 PolarHBondContact O-CE1 2.64Å; D191-H219 PolarHBondContact O-ND1 2.95Å; D191-H219 PolarHBondContact O-NE2 3.37Å; V193-H219 PolarHBondContact N-ND1 3.43Å; V193-H219 PolarHBondContact O-N 3.21Å; H219-V312 WeakPolarHBondContact O-CB 3.02Å; H219-P313 WeakPolarHBondContact O-CD 3.02Å
220R98.9Very high97.8Very high28 Ų2818.9 Ų18.911%0.10611%0.108CC..EExtended strand (participates in β ladder)trans-154.6154.8178.9-56.6-178.4-178.977.75.7110.1V193 T194 I195 P313 F482 A483 R484V193-R220 PolarHBondContact O-N 3.19Å; T194-R220 WeakPolarHBondContact CA-O 3.43Å; T194-R220 HydrophobicContact CG2-CB 3.86Å; I195-R220 PolarHBondContact N-O 3.49Å; R220-P313 WeakPolarHBondContact CA-O 3.5Å; R220-P313 HydrophobicContact CG-CB 4.35Å; R220-P313 HydrophobicContact CG-CG 4.48Å; R220-F482 HydrophobicContact CB-CD1 4.41Å; R220-F482 HydrophobicContact CB-CE1 3.71Å; R220-F482 HydrophobicContact CB-CZ 4.11Å; R220-F482 WeakPolarHBondContact CD-O 3.33Å; R220-F482 HydrophobicContact CG-CE1 4.45Å; R220-F482 PolarHBondContact NE-O 3.47Å; R220-F482 VanDerWaalsContact NE-O 3.09Å; R220-A483 PolarHBondContact NH1-O 3.5Å; R220-R484 PolarHBondContact NH2-O 2.92Å
221A98.9Very high97.1Very high0 Ų019.6 Ų19.60%011%0.112CC..EExtended strand (participates in β ladder)trans-137.6143.9-178.600000112.2I195 V205 L209 F218 P313 F314 I315 F482I195-A221 HydrophobicContact CD1-CB 4.48Å; I195-A221 HydrophobicContact CG1-CB 4.03Å; I195-A221 CarbonylContact O-C 3.53Å; I195-A221 WeakPolarHBondContact O-CA 3.43Å; V205-A221 HydrophobicContact CG1-CB 3.71Å; L209-A221 HydrophobicContact CD1-CB 3.75Å; L209-A221 HydrophobicContact CD2-CB 3.95Å; L209-A221 HydrophobicContact CG-CB 4.04Å; F218-A221 HydrophobicContact CE2-CB 4.28Å; A221-P313 PolarHBondContact N-O 2.97Å; A221-F314 HydrophobicContact CB-CD2 3.82Å; A221-F314 HydrophobicContact CB-CE2 4.39Å; A221-F314 CarbonylContact O-C 3.59Å; A221-F314 WeakPolarHBondContact O-CA 3.35Å; A221-F314 WeakPolarHBondContact O-CD2 3.49Å; A221-I315 PolarHBondContact O-N 3.44Å; A221-F482 WeakPolarHBondContact O-CE1 3.49Å
222I98.9Very high96.2Very high0 Ų020.4 Ų20.40%012%0.116CC..EExtended strand (participates in β ladder)trans-133.4114.9173-49.4177.7000109.1M114 T194 I195 F196 G197 Q224 I315 W479 F482M114-I222 HydrophobicContact CE-CD1 4.36Å; T194-I222 HydrophobicContact CG2-CD1 4.21Å; T194-I222 HydrophobicContact CG2-CG1 4.14Å; I195-I222 PolarHBondContact O-N 3.01Å; F196-I222 VanDerWaalsContact CA-O 3.26Å; F196-I222 WeakPolarHBondContact CA-O 3.23Å; F196-I222 HydrophobicContact CB-CB 3.68Å; F196-I222 HydrophobicContact CB-CD1 4.2Å; F196-I222 HydrophobicContact CB-CG1 4.22Å; F196-I222 HydrophobicContact CB-CG2 4.44Å; G197-I222 PolarHBondContact N-O 3.49Å; I222-Q224 HydrophobicContact CG2-CG 4Å; I222-I315 CarbonylContact C-O 3.59Å; I222-I315 VanDerWaalsContact CA-O 3.27Å; I222-I315 WeakPolarHBondContact CA-O 3.4Å; I222-I315 HydrophobicContact CB-CB 4.35Å; I222-I315 HydrophobicContact CG1-CB 4.16Å; I222-I315 HydrophobicContact CG1-CG1 4.45Å; I222-I315 HydrophobicContact CG2-CB 3.99Å; I222-I315 HydrophobicContact CG2-CG2 4.12Å; I222-W479 HydrophobicContact CD1-CG 3.98Å; I222-W479 HydrophobicContact CG2-CZ2 4.42Å; I222-F482 HydrophobicContact CD1-CD1 3.78Å; I222-F482 HydrophobicContact CD1-CE1 4.2Å; I222-F482 HydrophobicContact CG1-CD1 3.74Å; I222-F482 HydrophobicContact CG1-CE1 3.63Å
223A98.9Very high95.6Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-109.1105.8177.400000110.2V205 G226 T227 F314 I315 T316 G317V205-A223 HydrophobicContact CB-CB 4.46Å; V205-A223 HydrophobicContact CG1-CB 4.23Å; A223-G226 WeakPolarHBondContact CB-O 3.29Å; A223-T227 HydrophobicContact CB-CG2 4.49Å; A223-F314 HydrophobicContact CB-CE2 3.7Å; A223-F314 HydrophobicContact CB-CZ 3.87Å; A223-I315 PolarHBondContact N-O 3.23Å; A223-T316 VanDerWaalsContact O-CA 3.27Å; A223-T316 WeakPolarHBondContact O-CA 3.44Å; A223-T316 PolarHBondContact O-OG1 3.02Å; A223-G317 PolarHBondContact O-N 3.33Å
224Q98.9Very high94.9Very high0 Ų017.1 Ų17.10%09%0.094CC..EExtended strand (participates in β ladder)trans-95.3118.9-177.9-58.9173.5-162.400110G197 V198 S199 I222 G226 Y420 E444 W479G197-Q224 WeakPolarHBondContact O-CB 3.35Å; G197-Q224 PolarHBondContact O-N 3.44Å; V198-Q224 CarbonylContact C-O 3.54Å; V198-Q224 VanDerWaalsContact CA-O 3.23Å; V198-Q224 WeakPolarHBondContact CA-O 3.27Å; V198-Q224 HydrophobicContact CB-CB 4.18Å; V198-Q224 HydrophobicContact CG2-CB 4.02Å; S199-Q224 PolarHBondContact N-O 2.8Å; I222-Q224 HydrophobicContact CG2-CG 4Å; Q224-G226 PolarHBondContact O-N 2.84Å; Q224-G226 VanDerWaalsContact O-N 3.09Å; Q224-Y420 WeakPolarHBondContact CB-OH 3.17Å; Q224-Y420 WeakPolarHBondContact CG-OH 3.38Å; Q224-E444 WeakPolarHBondContact CB-OE1 3.32Å; Q224-E444 PolarHBondContact NE2-OE1 3.29Å; Q224-W479 HydrophobicContact CG-CZ2 4.37Å
225S98.4Very high93.5Very high0 Ų018.4 Ų18.40%010%0.101CC..SBendtrans5141.2173.6-59.20000113.4S199 G317 E322 F399 H441S199-S225 WeakPolarHBondContact CA-O 3.34Å; S225-G317 WeakPolarHBondContact CA-O 3.37Å; S225-G317 PolarHBondContact N-O 2.83Å; S225-E322 WeakPolarHBondContact CB-OE1 3.19Å; S225-E322 PolarHBondContact OG-OE1 2.98Å; S225-F399 WeakPolarHBondContact O-CD1 3.37Å; S225-F399 WeakPolarHBondContact O-CE1 3.24Å; S225-H441 PolarHBondContact O-CE1 2.89Å
226G97.9Very high91.8Very high2 Ų214.5 Ų14.52%0.0218%0.081CC..  trans178.9132.8176.600000112.4G202 I203 A223 Q224 M230G202-G226 CarbonylContact C-O 3.56Å; G202-G226 WeakPolarHBondContact CA-O 3.4Å; I203-G226 PolarHBondContact N-O 3.41Å; A223-G226 WeakPolarHBondContact CB-O 3.29Å; Q224-G226 PolarHBondContact O-N 2.84Å; Q224-G226 VanDerWaalsContact O-N 3.09Å; G226-M230 VanDerWaalsContact CA-SD 3.53Å
227T97.9Very high89.7Confident1 Ų117.9 Ų17.91%0.00610%0.097CC..  trans-145.7168.2-178.668.50000112.3I203 A223 A229 M230 P402 A403 V406I203-T227 WeakPolarHBondContact CG1-O 3.39Å; A223-T227 HydrophobicContact CB-CG2 4.49Å; T227-A229 PolarHBondContact O-N 2.77Å; T227-A229 VanDerWaalsContact O-N 3.15Å; T227-M230 WeakPolarHBondContact O-CB 3.38Å; T227-M230 VanDerWaalsContact O-CG 3.27Å; T227-M230 WeakPolarHBondContact O-CG 3.32Å; T227-M230 PolarHBondContact O-N 3.46Å; T227-M230 VanDerWaalsContact O-N 3.13Å; T227-P402 WeakPolarHBondContact OG1-CB 3.45Å; T227-P402 PolarHBondContact OG1-O 2.87Å; T227-A403 HydrophobicContact CG2-CB 4.4Å; T227-V406 HydrophobicContact CG2-CB 4.26Å; T227-V406 HydrophobicContact CG2-CG2 4.39Å
228A96.1Very high87.6Confident0 Ų018.1 Ų18.10%010%0.099CC..THydrogen-bonded Turntrans-64.4-17.1179.800000113.5S206 L207 L210 M230 M234 V300S206-A228 VanDerWaalsContact OG-CB 3.3Å; S206-A228 WeakPolarHBondContact OG-CB 3.35Å; S206-A228 PolarHBondContact OG-N 2.69Å; L207-A228 HydrophobicContact CD2-CB 3.72Å; L207-A228 HydrophobicContact CG-CB 4.04Å; L210-A228 HydrophobicContact CD1-CB 3.67Å; A228-M230 PolarHBondContact O-N 2.98Å; A228-M234 WeakPolarHBondContact O-CE 3.37Å; A228-V300 HydrophobicContact CB-CG1 3.85Å; A228-V300 HydrophobicContact CB-CG2 4.33Å; A228-V300 WeakPolarHBondContact O-CG1 3.35Å
229A94.4Very high85.5Confident4 Ų420.5 Ų20.53%0.03312%0.115CC..THydrogen-bonded Turntrans-84.213.7175.200000113.6T227 D231 L304 P402 K405 V406T227-A229 PolarHBondContact O-N 2.77Å; T227-A229 VanDerWaalsContact O-N 3.15Å; A229-D231 VanDerWaalsContact C-N 3.34Å; A229-D231 PolarHBondContact O-N 2.95Å; A229-D231 VanDerWaalsContact O-N 3.13Å; A229-L304 HydrophobicContact CB-CD1 4.31Å; A229-P402 HydrophobicContact CB-CB 4Å; A229-P402 WeakPolarHBondContact O-CB 3.46Å; A229-P402 WeakPolarHBondContact O-CG 3.3Å; A229-K405 HydrophobicContact CB-CB 4.2Å; A229-K405 HydrophobicContact CB-CD 4.26Å; A229-V406 HydrophobicContact CB-CG2 3.61Å
230M91.7Very high83.2Confident6 Ų623.1 Ų23.13%0.0314%0.135CC..  trans-81.382.2172.8-70-170.657.100110.3I203 G226 T227 A228 I232 L233 F398 F399 P402I203-M230 HydrophobicContact CD1-CB 4.15Å; I203-M230 HydrophobicContact CD1-CE 4.07Å; I203-M230 HydrophobicContact CD1-CG 4.38Å; I203-M230 HydrophobicContact CD1-SD 3.61Å; I203-M230 HydrophobicContact CG1-CG 4.42Å; I203-M230 HydrophobicContact CG1-SD 3.71Å; G226-M230 VanDerWaalsContact CA-SD 3.53Å; T227-M230 WeakPolarHBondContact O-CB 3.38Å; T227-M230 VanDerWaalsContact O-CG 3.27Å; T227-M230 WeakPolarHBondContact O-CG 3.32Å; T227-M230 PolarHBondContact O-N 3.46Å; T227-M230 VanDerWaalsContact O-N 3.13Å; A228-M230 PolarHBondContact O-N 2.98Å; M230-I232 PolarHBondContact O-N 3.21Å; M230-I232 VanDerWaalsContact O-N 3.09Å; M230-L233 PolarHBondContact O-N 2.92Å; M230-F398 HydrophobicContact CE-CB 4.27Å; M230-F398 WeakPolarHBondContact CE-O 3.35Å; M230-F398 WeakPolarHBondContact CG-O 3.46Å; M230-F399 HydrophobicContact CE-CD1 4.06Å; M230-F399 HydrophobicContact CE-CE1 3.71Å; M230-F399 HydrophobicContact CE-CZ 4.18Å; M230-F399 HydrophobicContact SD-CD1 4.13Å; M230-F399 HydrophobicContact SD-CE1 4.19Å; M230-P402 HydrophobicContact CG-CB 3.86Å; M230-P402 HydrophobicContact CG-CG 4.09Å
231D82.9Confident80.7Confident22 Ų2228.1 Ų28.112%0.11816%0.161CC..G310 helixtrans-53.3-34.2-171.2-63.7-26.4000113.5A229 L233 M234 F358 K405A229-D231 VanDerWaalsContact C-N 3.34Å; A229-D231 PolarHBondContact O-N 2.95Å; A229-D231 VanDerWaalsContact O-N 3.13Å; D231-L233 PolarHBondContact O-N 2.98Å; D231-M234 PolarHBondContact O-N 2.83Å; D231-F358 HydrophobicContact CB-CD2 4.17Å; D231-F358 HydrophobicContact CB-CE1 4.27Å; D231-F358 HydrophobicContact CB-CE2 3.39Å; D231-F358 HydrophobicContact CB-CZ 3.44Å; D231-F358 VanDerWaalsContact CB-CZ 3.44Å; D231-F358 WeakPolarHBondContact OD1-CE2 3.17Å; D231-K405 IonicContact OD2-NZ 3.63Å
232I80.6Confident78.7Confident19 Ų1930.8 Ų30.810%0.09717%0.173CC..G310 helixtrans-57.2-21.7176.9-171.4166.5000115M230 F331 L352 L355 V356 F398M230-I232 PolarHBondContact O-N 3.21Å; M230-I232 VanDerWaalsContact O-N 3.09Å; I232-F331 HydrophobicContact CD1-CE1 4.31Å; I232-F331 HydrophobicContact CD1-CZ 4.27Å; I232-L352 HydrophobicContact CD1-CD2 4.45Å; I232-L355 HydrophobicContact CD1-CD1 4.45Å; I232-L355 HydrophobicContact CG1-CB 4.32Å; I232-L355 HydrophobicContact CG1-CD1 4.39Å; I232-V356 HydrophobicContact CB-CG1 3.98Å; I232-F398 HydrophobicContact CD1-CD2 4.34Å; I232-F398 HydrophobicContact CD1-CE1 3.79Å; I232-F398 HydrophobicContact CD1-CE2 3.52Å; I232-F398 HydrophobicContact CD1-CZ 3.21Å; I232-F398 HydrophobicContact CG2-CD1 4.48Å; I232-F398 HydrophobicContact CG2-CD2 4.48Å; I232-F398 HydrophobicContact CG2-CG 4.4Å
233L84.3Confident76.8Confident38 Ų3835.4 Ų35.420%0.19919%0.194CC..G310 helixtrans-110.57.9179.1-67.7172.7000113.2F122 I203 M230 D231 P288 I289F122-L233 HydrophobicContact CD2-CD1 4.34Å; F122-L233 HydrophobicContact CE2-CD1 4.25Å; I203-L233 HydrophobicContact CD1-CB 4.5Å; I203-L233 HydrophobicContact CD1-CD1 3.35Å; M230-L233 PolarHBondContact O-N 2.92Å; D231-L233 PolarHBondContact O-N 2.98Å; L233-P288 WeakPolarHBondContact O-CA 3.36Å; L233-I289 PolarHBondContact O-N 2.83Å
234M83.2Confident74.9Confident17 Ų1739 Ų398%0.08422%0.217CC..BIsolated β-bridgetrans-112.1143.3179.2-55.1-62.5155.200109.9I203 L207 A228 D231 I289 V300 F358I203-M234 HydrophobicContact CG2-CE 3.48Å; I203-M234 VanDerWaalsContact CG2-CE 3.48Å; L207-M234 HydrophobicContact CD1-CE 4.25Å; L207-M234 HydrophobicContact CD2-CE 4.22Å; L207-M234 HydrophobicContact CD2-SD 4.32Å; L207-M234 HydrophobicContact CG-CE 4.45Å; A228-M234 WeakPolarHBondContact O-CE 3.37Å; D231-M234 PolarHBondContact O-N 2.83Å; M234-I289 HydrophobicContact CE-CG1 4.36Å; M234-I289 HydrophobicContact SD-CB 3.78Å; M234-I289 HydrophobicContact SD-CG1 4.14Å; M234-I289 HydrophobicContact SD-CG2 4.31Å; M234-V300 HydrophobicContact SD-CG2 4.45Å; M234-F358 HydrophobicContact CB-CZ 4.29Å
235N69Low73.5Confident27 Ų2743.1 Ų43.114%0.14424%0.243CC..  trans-99.613.6-175.4-153.717.2000114.7V238 P288 I289 H290N235-V238 VanDerWaalsContact O-CB 3.31Å; N235-V238 WeakPolarHBondContact O-CB 3.36Å; N235-V238 WeakPolarHBondContact O-CG2 3.27Å; N235-V238 PolarHBondContact O-N 3.32Å; N235-V238 VanDerWaalsContact OD1-CB 3.3Å; N235-V238 WeakPolarHBondContact OD1-CB 3.32Å; N235-V238 WeakPolarHBondContact OD1-CG2 3.46Å; N235-P288 HydrophobicContact CB-CB 3.79Å; N235-P288 HydrophobicContact CB-CG 3.61Å; N235-I289 WeakPolarHBondContact CB-O 3.07Å; N235-I289 PolarHBondContact N-O 2.85Å; N235-H290 PolarHBondContact ND2-CD2 3.02Å; N235-H290 VanDerWaalsContact ND2-CD2 3.29Å; N235-H290 PolarHBondContact ND2-NE2 2.81Å
236D62.6Low72.5Confident35 Ų3544.8 Ų44.819%0.18725%0.25CS..THydrogen-bonded Turntrans-123.3129.5-160.9-156.86.3000116.2V291 P299D236-V291 HydrophobicContact CB-CG2 4.03Å; D236-V291 WeakPolarHBondContact OD2-CB 3.18Å; D236-V291 WeakPolarHBondContact OD2-CG2 3.27Å; D236-P299 HydrophobicContact CB-CB 4.37Å; D236-P299 WeakPolarHBondContact OD2-CA 3.33Å; D236-P299 VanDerWaalsContact OD2-CB 3.28Å; D236-P299 WeakPolarHBondContact OD2-CB 3.04Å; D236-P299 WeakPolarHBondContact OD2-CG 3.17Å
237P54.2Low71.7Confident100 Ų10046 Ų4665%0.64926%0.256SS*.THydrogen-bonded Turncis-87.9104.3-20.129.6-24.3000110.6
238V53.7Low71Confident20 Ų2050.1 Ų50.112%0.12128%0.275CS..  trans-72.7132.5167.5164.90000109.9N235 E242N235-V238 VanDerWaalsContact O-CB 3.31Å; N235-V238 WeakPolarHBondContact O-CB 3.36Å; N235-V238 WeakPolarHBondContact O-CG2 3.27Å; N235-V238 PolarHBondContact O-N 3.32Å; N235-V238 VanDerWaalsContact OD1-CB 3.3Å; N235-V238 WeakPolarHBondContact OD1-CB 3.32Å; N235-V238 WeakPolarHBondContact OD1-CG2 3.46Å; V238-E242 HydrophobicContact CG1-CB 3.13Å; V238-E242 HydrophobicContact CG1-CG 3.99Å; V238-E242 WeakPolarHBondContact CG1-OE2 3.41Å
239P54.6Low70.3Confident57 Ų5751.2 Ų51.237%0.3728%0.284SS..  trans-54.7149.9178.4-25.333.4000113.1M241 E242 K243P239-M241 PolarHBondContact O-N 2.72Å; P239-E242 PolarHBondContact O-N 3.06Å; P239-K243 PolarHBondContact O-N 3.21Å
240V50.7Low69.9Low110 Ų11051 Ų5167%0.66728%0.282SS*.Hα-helixtrans-49.3-33.6176.7176.60000112.4E242 K243 C244V240-E242 PolarHBondContact O-N 3.27Å; V240-K243 WeakPolarHBondContact O-CB 3.04Å; V240-K243 PolarHBondContact O-N 2.04Å; V240-C244 PolarHBondContact O-N 3.41Å; V240-C244 PolarHBondContact O-SG 2.9Å; V240-C244 VanDerWaalsContact O-SG 3.37Å
241M45.8Very low69.7Low132 Ų13251 Ų5165%0.6528%0.283SS*.Hα-helixtrans-60.7-43.2177.9-69.6-60-63.100113.1P239 C244 T245P239-M241 PolarHBondContact O-N 2.72Å; M241-C244 WeakPolarHBondContact O-CB 3.4Å; M241-C244 PolarHBondContact O-N 3Å; M241-T245 WeakPolarHBondContact O-CG2 3.38Å; M241-T245 PolarHBondContact O-N 3.15Å
242E57.3Low69.9Low57 Ų5755.6 Ų55.627%0.26631%0.308SS..Hα-helixtrans-69.6-36178.5-88.2-175.2-154.800111.4V238 P239 V240 C244 T245 F246V238-E242 HydrophobicContact CG1-CB 3.13Å; V238-E242 HydrophobicContact CG1-CG 3.99Å; V238-E242 WeakPolarHBondContact CG1-OE2 3.41Å; P239-E242 PolarHBondContact O-N 3.06Å; V240-E242 PolarHBondContact O-N 3.27Å; E242-C244 VanDerWaalsContact C-N 3.33Å; E242-C244 PolarHBondContact O-N 3.09Å; E242-T245 VanDerWaalsContact CA-OG1 3.3Å; E242-T245 WeakPolarHBondContact CA-OG1 3.5Å; E242-T245 PolarHBondContact O-N 3.38Å; E242-T245 PolarHBondContact O-OG1 2.98Å; E242-F246 PolarHBondContact O-N 3.21Å
243K59.1Low70.1Confident97 Ų9757 Ų5742%0.42232%0.323SS..Hα-helixtrans-59.8-42.8171-66.1-176.7-179.9-1790111.8P239 V240 F246 L247P239-K243 PolarHBondContact O-N 3.21Å; V240-K243 WeakPolarHBondContact O-CB 3.04Å; V240-K243 PolarHBondContact O-N 2.04Å; K243-F246 PolarHBondContact O-N 3.05Å; K243-L247 PolarHBondContact O-N 3.29Å
244C59Low70.3Confident74 Ų7456.2 Ų56.250%0.532%0.319SS..Hα-helixtrans-64.1-40.5174.7-68.90000112V240 M241 E242 Q248V240-C244 PolarHBondContact O-N 3.41Å; V240-C244 PolarHBondContact O-SG 2.9Å; V240-C244 VanDerWaalsContact O-SG 3.37Å; M241-C244 WeakPolarHBondContact O-CB 3.4Å; M241-C244 PolarHBondContact O-N 3Å; E242-C244 VanDerWaalsContact C-N 3.33Å; E242-C244 PolarHBondContact O-N 3.09Å; C244-Q248 VanDerWaalsContact O-CB 3.25Å; C244-Q248 WeakPolarHBondContact O-CB 3.45Å; C244-Q248 PolarHBondContact O-N 2.86Å
245T69.9Low70.6Confident87 Ų8758.8 Ų58.853%0.53435%0.35SS..Hα-helixtrans-67.1-37.6177.858.10000113.1M241 E242 Q248 A249M241-T245 WeakPolarHBondContact O-CG2 3.38Å; M241-T245 PolarHBondContact O-N 3.15Å; E242-T245 VanDerWaalsContact CA-OG1 3.3Å; E242-T245 WeakPolarHBondContact CA-OG1 3.5Å; E242-T245 PolarHBondContact O-N 3.38Å; E242-T245 PolarHBondContact O-OG1 2.98Å; T245-Q248 PolarHBondContact O-N 3.2Å; T245-A249 PolarHBondContact O-N 3.08Å
246F77.6Confident71.7Confident36 Ų3657.9 Ų57.916%0.15835%0.346CS..Hα-helixtrans-63.7-52.7176.5173.4-98.7000111.5L156 E242 K243 Q248 A249 V250 L285 R286 Y287L156-F246 HydrophobicContact CD1-CE1 3.69Å; L156-F246 HydrophobicContact CD1-CZ 3.76Å; E242-F246 PolarHBondContact O-N 3.21Å; K243-F246 PolarHBondContact O-N 3.05Å; F246-Q248 PolarHBondContact O-N 3.37Å; F246-A249 WeakPolarHBondContact O-CB 3.01Å; F246-A249 PolarHBondContact O-N 3.16Å; F246-A249 VanDerWaalsContact O-N 3.09Å; F246-V250 HydrophobicContact CD1-CG2 4.31Å; F246-V250 HydrophobicContact CE1-CG2 3.84Å; F246-V250 HydrophobicContact CE2-CG2 4.2Å; F246-V250 HydrophobicContact CZ-CG2 3.77Å; F246-V250 WeakPolarHBondContact O-CG2 3.38Å; F246-V250 PolarHBondContact O-N 3.21Å; F246-L285 HydrophobicContact CD2-CD1 3.46Å; F246-L285 VanDerWaalsContact CD2-CD1 3.46Å; F246-L285 HydrophobicContact CD2-CG 4.33Å; F246-L285 HydrophobicContact CE2-CD1 3.25Å; F246-L285 HydrophobicContact CE2-CG 3.76Å; F246-L285 HydrophobicContact CG-CD1 4.43Å; F246-L285 HydrophobicContact CZ-CD1 4.12Å; F246-R286 WeakPolarHBondContact CE2-O 3.21Å; F246-Y287 HydrophobicContact CE2-CD1 4.47Å; F246-Y287 HydrophobicContact CZ-CD1 4.19Å; F246-Y287 HydrophobicContact CZ-CE1 4.3Å
247L80.3Confident73.1Confident26 Ų2658.5 Ų58.514%0.13635%0.353CS..Hα-helixtrans-63-33.7178.4-67.8177.9000111.5T158 K243 V250 A251 L258 I264T158-L247 HydrophobicContact CG2-CD2 4.37Å; K243-L247 PolarHBondContact O-N 3.29Å; L247-V250 PolarHBondContact O-N 3.18Å; L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.25Å; L247-A251 PolarHBondContact O-N 3.12Å; L247-L258 HydrophobicContact CB-CD2 3.96Å; L247-I264 HydrophobicContact CD2-CD1 4.32Å
248Q83.4Confident74.8Confident89 Ų8956.9 Ų56.942%0.41634%0.338SS..Hα-helixtrans-62.2-44.1172.1-170.566.260.900112.7C244 T245 F246 A251 N252 L258C244-Q248 VanDerWaalsContact O-CB 3.25Å; C244-Q248 WeakPolarHBondContact O-CB 3.45Å; C244-Q248 PolarHBondContact O-N 2.86Å; T245-Q248 PolarHBondContact O-N 3.2Å; F246-Q248 PolarHBondContact O-N 3.37Å; Q248-A251 PolarHBondContact O-N 3.45Å; Q248-N252 PolarHBondContact NE2-OD1 3.48Å; Q248-N252 WeakPolarHBondContact O-CB 3.29Å; Q248-N252 PolarHBondContact O-N 3.44Å; Q248-N252 PolarHBondContact O-ND2 3.41Å; Q248-N252 PolarHBondContact O-OD1 2.87Å; Q248-L258 HydrophobicContact CB-CD1 4.28Å; Q248-L258 VanDerWaalsContact OE1-CD1 3.29Å
249A81.7Confident76.6Confident22 Ų2263.8 Ų63.818%0.18237%0.369CS..Hα-helixtrans-62.8-44.9175.600000111.4T245 F246 A251 N252 A253 L285T245-A249 PolarHBondContact O-N 3.08Å; F246-A249 WeakPolarHBondContact O-CB 3.01Å; F246-A249 PolarHBondContact O-N 3.16Å; F246-A249 VanDerWaalsContact O-N 3.09Å; A249-A251 PolarHBondContact O-N 2.88Å; A249-N252 PolarHBondContact O-N 2.9Å; A249-A253 WeakPolarHBondContact O-CB 3.31Å; A249-A253 PolarHBondContact O-N 3.29Å; A249-L285 HydrophobicContact CB-CD1 3.92Å
250V85.6Confident78.4Confident0 Ų063.2 Ų63.20%037%0.367CS..Hα-helixtrans-57.7-49.4175.1176.10000110.9L156 F246 L247 A253 T254 I264 M268 L279 L285L156-V250 HydrophobicContact CD1-CG2 4.11Å; F246-V250 HydrophobicContact CD1-CG2 4.31Å; F246-V250 HydrophobicContact CE1-CG2 3.84Å; F246-V250 HydrophobicContact CE2-CG2 4.2Å; F246-V250 HydrophobicContact CZ-CG2 3.77Å; F246-V250 WeakPolarHBondContact O-CG2 3.38Å; F246-V250 PolarHBondContact O-N 3.21Å; L247-V250 PolarHBondContact O-N 3.18Å; V250-A253 PolarHBondContact O-N 3.28Å; V250-T254 HydrophobicContact CG1-CG2 4.38Å; V250-T254 WeakPolarHBondContact O-CB 3.28Å; V250-T254 VanDerWaalsContact O-CG2 3.3Å; V250-T254 WeakPolarHBondContact O-CG2 3.48Å; V250-T254 PolarHBondContact O-N 3.33Å; V250-T254 PolarHBondContact O-OG1 3.3Å; V250-I264 HydrophobicContact CB-CD1 4.42Å; V250-I264 HydrophobicContact CG1-CD1 4.05Å; V250-M268 HydrophobicContact CG1-CE 4.11Å; V250-M268 HydrophobicContact CG1-SD 3.75Å; V250-L279 HydrophobicContact CG1-CD2 4.37Å; V250-L285 HydrophobicContact CG2-CD1 3.73Å; V250-L285 HydrophobicContact CG2-CD2 4.36Å
251A88.3Confident80.4Confident6 Ų659.9 Ų59.95%0.0535%0.347CS..Hα-helixtrans-63.4-43.8-179.700000112.8L247 Q248 A249 A253 T254 G255 C256 L258 I264L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.25Å; L247-A251 PolarHBondContact O-N 3.12Å; Q248-A251 PolarHBondContact O-N 3.45Å; A249-A251 PolarHBondContact O-N 2.88Å; A251-A253 VanDerWaalsContact C-N 3.3Å; A251-A253 PolarHBondContact O-N 3.01Å; A251-T254 PolarHBondContact O-N 2.86Å; A251-G255 VanDerWaalsContact O-CA 3.31Å; A251-G255 WeakPolarHBondContact O-CA 3.33Å; A251-G255 PolarHBondContact O-N 3.29Å; A251-C256 WeakPolarHBondContact CB-O 3.36Å; A251-C256 PolarHBondContact O-N 3.02Å; A251-L258 HydrophobicContact CB-CD1 3.54Å; A251-L258 HydrophobicContact CB-CD2 3.79Å; A251-L258 HydrophobicContact CB-CG 3.4Å; A251-L258 VanDerWaalsContact CB-CG 3.4Å; A251-I264 HydrophobicContact CB-CD1 4.43Å
252N86.8Confident82.7Confident119 Ų11958 Ų5864%0.63634%0.336SS*.Hα-helixtrans-61.9-39.6177.4-73.2-10.1000111.8Q248 A249Q248-N252 PolarHBondContact NE2-OD1 3.48Å; Q248-N252 WeakPolarHBondContact O-CB 3.29Å; Q248-N252 PolarHBondContact O-N 3.44Å; Q248-N252 PolarHBondContact O-ND2 3.41Å; Q248-N252 PolarHBondContact O-OD1 2.87Å; A249-N252 PolarHBondContact O-N 2.9Å
253A84.7Confident84.5Confident49 Ų4959.4 Ų59.441%0.40534%0.341SS..Hα-helixtrans-76.8-26.7-178.800000113.4A249 V250 A251 L279A249-A253 WeakPolarHBondContact O-CB 3.31Å; A249-A253 PolarHBondContact O-N 3.29Å; V250-A253 PolarHBondContact O-N 3.28Å; A251-A253 VanDerWaalsContact C-N 3.3Å; A251-A253 PolarHBondContact O-N 3.01Å; A253-L279 HydrophobicContact CB-CD2 3.65Å
254T88.8Confident86.1Confident21 Ų2155 Ų5513%0.12932%0.322CS..Hα-helixtrans-105.3-18.7-175.356.40000114V250 A251 C256 M268 L271 T275 L279V250-T254 HydrophobicContact CG1-CG2 4.38Å; V250-T254 WeakPolarHBondContact O-CB 3.28Å; V250-T254 VanDerWaalsContact O-CG2 3.3Å; V250-T254 WeakPolarHBondContact O-CG2 3.48Å; V250-T254 PolarHBondContact O-N 3.33Å; V250-T254 PolarHBondContact O-OG1 3.3Å; A251-T254 PolarHBondContact O-N 2.86Å; T254-C256 PolarHBondContact O-N 3.22Å; T254-C256 WeakPolarHBondContact OG1-CB 3.28Å; T254-C256 PolarHBondContact OG1-N 3.31Å; T254-C256 PolarHBondContact OG1-SG 2.96Å; T254-M268 HydrophobicContact CG2-SD 3.96Å; T254-L271 HydrophobicContact CG2-CD1 3.62Å; T254-T275 HydrophobicContact CG2-CG2 4.31Å; T254-L279 HydrophobicContact CG2-CD1 4.21Å; T254-L279 HydrophobicContact CG2-CD2 3.54Å; T254-L279 HydrophobicContact CG2-CG 4.03Å
255G89.8Confident87.8Confident71 Ų7151.5 Ų51.573%0.73230%0.299SS*.  trans73.69.4-167.700000114A251A251-G255 VanDerWaalsContact O-CA 3.31Å; A251-G255 WeakPolarHBondContact O-CA 3.33Å; A251-G255 PolarHBondContact O-N 3.29Å
256C92.5Very high89Confident8 Ų851 Ų515%0.05429%0.29CS..  trans-68.6144.2176.9-68.90000112A251 T254 I264 C267A251-C256 WeakPolarHBondContact CB-O 3.36Å; A251-C256 PolarHBondContact O-N 3.02Å; T254-C256 PolarHBondContact O-N 3.22Å; T254-C256 WeakPolarHBondContact OG1-CB 3.28Å; T254-C256 PolarHBondContact OG1-N 3.31Å; T254-C256 PolarHBondContact OG1-SG 2.96Å; C256-I264 HydrophobicContact CB-CG1 4.06Å; C256-C267 WeakPolarHBondContact CA-SG 3.43Å; C256-C267 HydrophobicContact CB-CB 3.64Å; C256-C267 WeakPolarHBondContact CB-SG 3.49Å; C256-C267 WeakPolarHBondContact SG-CB 3.44Å; C256-C267 CovalentContact SG-SG 2.04Å; C256-C267 PolarHBondContact SG-SG 2.97Å
257S91.5Very high89.8Confident47 Ų4751 Ų5133%0.32930%0.295SS..  trans-74.3137.1176.9179.80000111.7E259 I264S257-E259 VanDerWaalsContact OG-CG 3.26Å; S257-E259 WeakPolarHBondContact OG-CG 3.34Å; S257-E259 PolarHBondContact OG-N 3.32Å; S257-I264 PolarHBondContact O-N 2.04Å
258L90.3Very high90.5Very high66 Ų6650 Ų5035%0.34629%0.29SS..  trans-98.519172.1-69.1174.4000113.3L247 Q248 A251 S260 I264L247-L258 HydrophobicContact CB-CD2 3.96Å; Q248-L258 HydrophobicContact CB-CD1 4.28Å; Q248-L258 VanDerWaalsContact OE1-CD1 3.29Å; A251-L258 HydrophobicContact CB-CD1 3.54Å; A251-L258 HydrophobicContact CB-CD2 3.79Å; A251-L258 HydrophobicContact CB-CG 3.4Å; A251-L258 VanDerWaalsContact CB-CG 3.4Å; L258-S260 PolarHBondContact O-N 3.02Å; L258-I264 HydrophobicContact CD2-CD1 3.53Å
259E91.8Very high91Very high166 Ų16648.5 Ų48.578%0.77628%0.28SS*.SBendtrans-56.6-35.5175.1-78.2169.7-157.600112.4S257S257-E259 VanDerWaalsContact OG-CG 3.26Å; S257-E259 WeakPolarHBondContact OG-CG 3.34Å; S257-E259 PolarHBondContact OG-N 3.32Å
260S92.3Very high91.7Very high45 Ų4552.6 Ų52.632%0.31530%0.299SS..  trans-155.1161.9172.369.80000111.3L258 E262 K263 I264L258-S260 PolarHBondContact O-N 3.02Å; S260-E262 VanDerWaalsContact C-N 3.26Å; S260-E262 PolarHBondContact O-N 3.15Å; S260-K263 PolarHBondContact O-N 2.99Å; S260-K263 WeakPolarHBondContact OG-CG 3.27Å; S260-K263 PolarHBondContact OG-N 3.38Å; S260-K263 VanDerWaalsContact OG-N 3.12Å; S260-I264 PolarHBondContact O-N 3.48Å
261T91.8Very high92.1Very high40 Ų4053.7 Ų53.725%0.24531%0.305CS..Hα-helixtrans-62.4-33.417344.60000112.1T158 D160 H162 I264 A265T158-T261 HydrophobicContact CG2-CG2 4.22Å; D160-T261 WeakPolarHBondContact OD2-CB 3.4Å; D160-T261 VanDerWaalsContact OD2-CG2 3.3Å; D160-T261 WeakPolarHBondContact OD2-CG2 3.39Å; D160-T261 PolarHBondContact OD2-OG1 2.74Å; H162-T261 PolarHBondContact CD2-OG1 2.85Å; H162-T261 VanDerWaalsContact CD2-OG1 3.27Å; T261-I264 WeakPolarHBondContact O-CG2 3.41Å; T261-A265 VanDerWaalsContact O-CB 3.24Å; T261-A265 WeakPolarHBondContact O-CB 3.49Å; T261-A265 PolarHBondContact O-N 3.43Å
262E94.9Very high92.3Very high93 Ų9357.3 Ų57.344%0.43532%0.323SS..Hα-helixtrans-60.7-46.1170.5-172.3177.6-150.600112.3S260 A265 E266S260-E262 VanDerWaalsContact C-N 3.26Å; S260-E262 PolarHBondContact O-N 3.15Å; E262-A265 WeakPolarHBondContact O-CB 3.4Å; E262-A265 PolarHBondContact O-N 3.41Å; E262-E266 WeakPolarHBondContact O-CG 3.5Å; E262-E266 PolarHBondContact O-N 3.26Å
263K94.7Very high92.4Very high86 Ų8653.8 Ų53.837%0.37431%0.306SS..Hα-helixtrans-66.1-42.8-177.4-75.9-74.8158.9-140.70112.6S260 A265 E266 C267S260-K263 PolarHBondContact O-N 2.99Å; S260-K263 WeakPolarHBondContact OG-CG 3.27Å; S260-K263 PolarHBondContact OG-N 3.38Å; S260-K263 VanDerWaalsContact OG-N 3.12Å; K263-A265 VanDerWaalsContact C-N 3.33Å; K263-E266 IonicContact NZ-OE2 3.68Å; K263-E266 PolarHBondContact NZ-OE2 3.15Å; K263-C267 WeakPolarHBondContact O-CB 3.49Å; K263-C267 PolarHBondContact O-N 2.86Å
264I92.9Very high92.6Very high3 Ų356.7 Ų56.72%0.01532%0.315CS..Hα-helixtrans-65.7-38.8173.3-173.2161.8000110.9T158 L247 V250 A251 C256 S257 L258 S260 T261 C267 M268T158-I264 HydrophobicContact CG2-CG2 3.97Å; L247-I264 HydrophobicContact CD2-CD1 4.32Å; V250-I264 HydrophobicContact CB-CD1 4.42Å; V250-I264 HydrophobicContact CG1-CD1 4.05Å; A251-I264 HydrophobicContact CB-CD1 4.43Å; C256-I264 HydrophobicContact CB-CG1 4.06Å; S257-I264 PolarHBondContact O-N 2.04Å; L258-I264 HydrophobicContact CD2-CD1 3.53Å; S260-I264 PolarHBondContact O-N 3.48Å; T261-I264 WeakPolarHBondContact O-CG2 3.41Å; I264-C267 PolarHBondContact O-N 3.48Å; I264-M268 HydrophobicContact CG1-CG 4.04Å; I264-M268 WeakPolarHBondContact O-CB 3.49Å; I264-M268 WeakPolarHBondContact O-CG 3.29Å; I264-M268 PolarHBondContact O-N 2.67Å
265A93.6Very high92.7Very high1 Ų157.5 Ų57.51%0.00832%0.32CS..Hα-helixtrans-61.4-47.6176.500000112.6H162 V163 T261 E262 K263 C267 M268 R269H162-A265 HydrophobicContact CB-CB 4.08Å; V163-A265 HydrophobicContact CG2-CB 3.4Å; T261-A265 VanDerWaalsContact O-CB 3.24Å; T261-A265 WeakPolarHBondContact O-CB 3.49Å; T261-A265 PolarHBondContact O-N 3.43Å; E262-A265 WeakPolarHBondContact O-CB 3.4Å; E262-A265 PolarHBondContact O-N 3.41Å; K263-A265 VanDerWaalsContact C-N 3.33Å; A265-C267 VanDerWaalsContact C-N 3.33Å; A265-C267 PolarHBondContact O-N 3.18Å; A265-M268 PolarHBondContact O-N 2.93Å; A265-R269 WeakPolarHBondContact O-CB 3.45Å; A265-R269 VanDerWaalsContact O-CG 3.3Å; A265-R269 WeakPolarHBondContact O-CG 3.35Å; A265-R269 PolarHBondContact O-N 3.05Å
266E95Very high92.7Very high76 Ų7654.7 Ų54.736%0.35529%0.288SS..Hα-helixtrans-58.3-44.9174.4-74.1179.8158.400111.5E262 K263 N270E262-E266 WeakPolarHBondContact O-CG 3.5Å; E262-E266 PolarHBondContact O-N 3.26Å; K263-E266 IonicContact NZ-OE2 3.68Å; K263-E266 PolarHBondContact NZ-OE2 3.15Å; E266-N270 PolarHBondContact O-N 3.31Å; E266-N270 PolarHBondContact O-ND2 3.38Å
267C95.1Very high92.4Very high38 Ų3855.6 Ų55.626%0.25729%0.292SS..Hα-helixtrans-61.9-52.3177.7-1800000111.4C256 K263 I264 A265 R269 N270 L271C256-C267 WeakPolarHBondContact CA-SG 3.43Å; C256-C267 HydrophobicContact CB-CB 3.64Å; C256-C267 WeakPolarHBondContact CB-SG 3.49Å; C256-C267 WeakPolarHBondContact SG-CB 3.44Å; C256-C267 CovalentContact SG-SG 2.04Å; C256-C267 PolarHBondContact SG-SG 2.97Å; K263-C267 WeakPolarHBondContact O-CB 3.49Å; K263-C267 PolarHBondContact O-N 2.86Å; I264-C267 PolarHBondContact O-N 3.48Å; A265-C267 VanDerWaalsContact C-N 3.33Å; A265-C267 PolarHBondContact O-N 3.18Å; C267-R269 VanDerWaalsContact C-N 3.28Å; C267-R269 PolarHBondContact O-N 3.05Å; C267-N270 PolarHBondContact O-N 2.88Å; C267-L271 WeakPolarHBondContact O-CG 3.23Å; C267-L271 PolarHBondContact O-N 2.83Å
268M94.2Very high92.2Very high5 Ų555.2 Ų55.23%0.02529%0.292CS..Hα-helixtrans-57.6-37.9-179.5-72.1-61.9-67.800113R43 L44 L156 V250 T254 I264 A265 N270 L271 L279R43-M268 PolarHBondContact NH1-O 2.76Å; L44-M268 HydrophobicContact CD1-CB 3.82Å; L156-M268 HydrophobicContact CD2-CB 4.24Å; L156-M268 HydrophobicContact CD2-CE 3.6Å; L156-M268 HydrophobicContact CD2-CG 3.95Å; V250-M268 HydrophobicContact CG1-CE 4.11Å; V250-M268 HydrophobicContact CG1-SD 3.75Å; T254-M268 HydrophobicContact CG2-SD 3.96Å; I264-M268 HydrophobicContact CG1-CG 4.04Å; I264-M268 WeakPolarHBondContact O-CB 3.49Å; I264-M268 WeakPolarHBondContact O-CG 3.29Å; I264-M268 PolarHBondContact O-N 2.67Å; A265-M268 PolarHBondContact O-N 2.93Å; M268-N270 PolarHBondContact O-N 3.1Å; M268-L271 HydrophobicContact CE-CD1 4.21Å; M268-L271 PolarHBondContact O-N 3.47Å; M268-L271 HydrophobicContact SD-CD1 3.45Å; M268-L271 WeakPolarHBondContact SD-CD1 3.41Å; M268-L279 HydrophobicContact CE-CD1 3.79Å
269R95.5Very high91.8Very high56 Ų5652.1 Ų52.121%0.21128%0.275CS..Hα-helixtrans-63.1-24.2175.1-81.1172.8-178.8127.68.1114P40 R43 L44 H162 A265 C267P40-R269 HydrophobicContact CB-CB 4.06Å; P40-R269 WeakPolarHBondContact O-CD 3.41Å; R43-R269 PolarHBondContact NH1-O 2.88Å; R43-R269 VanDerWaalsContact NH1-O 3.11Å; L44-R269 HydrophobicContact CD1-CG 4.42Å; H162-R269 PolarHBondContact O-NH2 3.49Å; A265-R269 WeakPolarHBondContact O-CB 3.45Å; A265-R269 VanDerWaalsContact O-CG 3.3Å; A265-R269 WeakPolarHBondContact O-CG 3.35Å; A265-R269 PolarHBondContact O-N 3.05Å; C267-R269 VanDerWaalsContact C-N 3.28Å; C267-R269 PolarHBondContact O-N 3.05Å
270N94.8Very high91Very high109 Ų10947.2 Ų47.258%0.58325%0.25SC*.Hα-helixtrans-105.4-3.4-176.6-70.9-63.7000114E266 C267 M268E266-N270 PolarHBondContact O-N 3.31Å; E266-N270 PolarHBondContact O-ND2 3.38Å; C267-N270 PolarHBondContact O-N 2.88Å; M268-N270 PolarHBondContact O-N 3.1Å
271L93.9Very high90.1Very high23 Ų2353.6 Ų53.612%0.1227%0.272CS..  trans-63.3150.6178.4-67.6-179.3000112.3R43 T254 C267 M268 T275 I276R43-L271 PolarHBondContact NH1-O 3.3Å; R43-L271 PolarHBondContact NH2-O 3.05Å; R43-L271 VanDerWaalsContact NH2-O 3.14Å; T254-L271 HydrophobicContact CG2-CD1 3.62Å; C267-L271 WeakPolarHBondContact O-CG 3.23Å; C267-L271 PolarHBondContact O-N 2.83Å; M268-L271 HydrophobicContact CE-CD1 4.21Å; M268-L271 PolarHBondContact O-N 3.47Å; M268-L271 HydrophobicContact SD-CD1 3.45Å; M268-L271 WeakPolarHBondContact SD-CD1 3.41Å; L271-T275 HydrophobicContact CD1-CG2 4.11Å; L271-T275 HydrophobicContact CD2-CG2 4.09Å; L271-I276 HydrophobicContact CB-CD1 4.28Å; L271-I276 HydrophobicContact CB-CG1 4.06Å; L271-I276 HydrophobicContact CD1-CG1 4.43Å
272D92.5Very high89.2Confident82 Ų8254.1 Ų54.144%0.43927%0.273SS..  trans-75.1161.4166.76991.5000111D274 T275 I276D272-D274 VanDerWaalsContact C-N 3.3Å; D272-D274 PolarHBondContact O-N 2.86Å; D272-D274 WeakPolarHBondContact OD1-CA 3.37Å; D272-D274 WeakPolarHBondContact OD1-CB 3.36Å; D272-D274 PolarHBondContact OD1-N 2.93Å; D272-T275 PolarHBondContact O-N 3.43Å; D272-T275 PolarHBondContact OD1-N 3.05Å; D272-T275 PolarHBondContact OD1-OG1 3.41Å; D272-T275 WeakPolarHBondContact OD2-CB 3.36Å; D272-T275 PolarHBondContact OD2-OG1 2.9Å; D272-I276 PolarHBondContact O-N 2.98Å
273T89.4Confident87.7Confident44 Ų4454.7 Ų54.727%0.2729%0.285SS..Hα-helixtrans-62.4-33.5-177.6-53.80000113.1I67 I276 L277I67-T273 HydrophobicContact CB-CG2 4.48Å; I67-T273 HydrophobicContact CD1-CG2 3.44Å; I67-T273 VanDerWaalsContact CD1-CG2 3.44Å; I67-T273 HydrophobicContact CG1-CG2 3.85Å; I67-T273 HydrophobicContact CG2-CG2 3.78Å; T273-I276 PolarHBondContact O-N 3.17Å; T273-L277 HydrophobicContact CG2-CD1 4.06Å; T273-L277 WeakPolarHBondContact O-CD1 3.38Å; T273-L277 VanDerWaalsContact O-CG 3.28Å; T273-L277 WeakPolarHBondContact O-CG 3.46Å; T273-L277 PolarHBondContact O-N 2.91Å
274D88.8Confident86.2Confident110 Ų11058.4 Ų58.459%0.58830%0.301SS*.Hα-helixtrans-72.7-37.1-177.7-71.4-30.9000111R90 D272 L277 A278R90-D274 IonicContact NH2-OD1 3.36Å; D272-D274 VanDerWaalsContact C-N 3.3Å; D272-D274 PolarHBondContact O-N 2.86Å; D272-D274 WeakPolarHBondContact OD1-CA 3.37Å; D272-D274 WeakPolarHBondContact OD1-CB 3.36Å; D272-D274 PolarHBondContact OD1-N 2.93Å; D274-L277 PolarHBondContact O-N 3.16Å; D274-A278 PolarHBondContact O-N 2.9Å
275T90.9Very high85.2Confident39 Ų3958.9 Ų58.924%0.23930%0.304CS..Hα-helixtrans-63.1-42.4172.2-59.30000111.5T254 L271 D272 L277 A278T254-T275 HydrophobicContact CG2-CG2 4.31Å; L271-T275 HydrophobicContact CD1-CG2 4.11Å; L271-T275 HydrophobicContact CD2-CG2 4.09Å; D272-T275 PolarHBondContact O-N 3.43Å; D272-T275 PolarHBondContact OD1-N 3.05Å; D272-T275 PolarHBondContact OD1-OG1 3.41Å; D272-T275 WeakPolarHBondContact OD2-CB 3.36Å; D272-T275 PolarHBondContact OD2-OG1 2.9Å; T275-L277 VanDerWaalsContact C-N 3.3Å; T275-L277 PolarHBondContact O-N 3.27Å; T275-A278 WeakPolarHBondContact O-CB 3.23Å; T275-A278 PolarHBondContact O-N 3.43Å
276I90.1Very high84.4Confident11 Ų1163.6 Ų63.66%0.05632%0.322CS..Hα-helixtrans-61.7-39.8174.9-69.8160.1000111.2A152 L153 L271 D272 T273 A278 L279A152-I276 HydrophobicContact CB-CG2 4.36Å; L153-I276 HydrophobicContact CD2-CD1 3.93Å; L153-I276 HydrophobicContact CD2-CG2 4.47Å; L153-I276 HydrophobicContact CG-CG2 4.15Å; L271-I276 HydrophobicContact CB-CD1 4.28Å; L271-I276 HydrophobicContact CB-CG1 4.06Å; L271-I276 HydrophobicContact CD1-CG1 4.43Å; D272-I276 PolarHBondContact O-N 2.98Å; T273-I276 PolarHBondContact O-N 3.17Å; I276-A278 VanDerWaalsContact C-N 3.3Å; I276-A278 PolarHBondContact O-N 3.18Å; I276-L279 VanDerWaalsContact O-CB 3.28Å; I276-L279 WeakPolarHBondContact O-CB 3.34Å; I276-L279 PolarHBondContact O-N 3.44Å
277L87.3Confident83.8Confident28 Ų2860.8 Ų60.815%0.14731%0.308CS..Hα-helixtrans-68.7-30.6177.6-73.9163.3000112.7I67 Q68 T273 D274 T275 L279 R280I67-L277 HydrophobicContact CG2-CD1 4.27Å; I67-L277 HydrophobicContact CG2-CD2 3.61Å; I67-L277 HydrophobicContact CG2-CG 3.79Å; Q68-L277 WeakPolarHBondContact O-CD2 3.44Å; T273-L277 HydrophobicContact CG2-CD1 4.06Å; T273-L277 WeakPolarHBondContact O-CD1 3.38Å; T273-L277 VanDerWaalsContact O-CG 3.28Å; T273-L277 WeakPolarHBondContact O-CG 3.46Å; T273-L277 PolarHBondContact O-N 2.91Å; D274-L277 PolarHBondContact O-N 3.16Å; T275-L277 VanDerWaalsContact C-N 3.3Å; T275-L277 PolarHBondContact O-N 3.27Å; L277-L279 PolarHBondContact O-N 3.46Å; L277-R280 WeakPolarHBondContact O-CB 3.35Å; L277-R280 PolarHBondContact O-N 3.3Å; L277-R280 VanDerWaalsContact O-N 3.15Å
278A85.4Confident83.2Confident39 Ų3959.9 Ų59.932%0.32230%0.301SS..Hα-helixtrans-62.3-30.1177.100000112.4D274 T275 I276 R280 K281D274-A278 PolarHBondContact O-N 2.9Å; T275-A278 WeakPolarHBondContact O-CB 3.23Å; T275-A278 PolarHBondContact O-N 3.43Å; I276-A278 VanDerWaalsContact C-N 3.3Å; I276-A278 PolarHBondContact O-N 3.18Å; A278-R280 PolarHBondContact O-N 2.77Å; A278-R280 VanDerWaalsContact O-N 3.15Å; A278-K281 WeakPolarHBondContact O-CB 3.33Å; A278-K281 PolarHBondContact O-N 2.93Å
279L83.2Confident83Confident0 Ų059.7 Ų59.70%030%0.3CS..G310 helixtrans-53.6-34.2174.1-70.3175.1000112.9A152 V250 A253 T254 M268 I276 L277 K281 D282 L285 Y287A152-L279 HydrophobicContact CB-CD1 3.98Å; V250-L279 HydrophobicContact CG1-CD2 4.37Å; A253-L279 HydrophobicContact CB-CD2 3.65Å; T254-L279 HydrophobicContact CG2-CD1 4.21Å; T254-L279 HydrophobicContact CG2-CD2 3.54Å; T254-L279 HydrophobicContact CG2-CG 4.03Å; M268-L279 HydrophobicContact CE-CD1 3.79Å; I276-L279 VanDerWaalsContact O-CB 3.28Å; I276-L279 WeakPolarHBondContact O-CB 3.34Å; I276-L279 PolarHBondContact O-N 3.44Å; L277-L279 PolarHBondContact O-N 3.46Å; L279-K281 PolarHBondContact O-N 2.79Å; L279-D282 PolarHBondContact O-N 3.47Å; L279-L285 HydrophobicContact CB-CD2 3.69Å; L279-L285 HydrophobicContact CD2-CD2 3.91Å; L279-L285 HydrophobicContact CG-CD2 4.31Å; L279-L285 WeakPolarHBondContact O-CD2 3.37Å; L279-Y287 WeakPolarHBondContact CB-OH 3.47Å
280R74.5Confident82.7Confident63 Ų6357.9 Ų57.924%0.23829%0.294CS..G310 helixtrans-71.5-15.7-179.3-174.1171.2178.8161.64.1113.5V72 V123 L277 A278 D282V72-R280 VanDerWaalsContact CG1-NH2 3.26Å; V123-R280 PolarHBondContact O-NH1 2.94Å; L277-R280 WeakPolarHBondContact O-CB 3.35Å; L277-R280 PolarHBondContact O-N 3.3Å; L277-R280 VanDerWaalsContact O-N 3.15Å; A278-R280 PolarHBondContact O-N 2.77Å; A278-R280 VanDerWaalsContact O-N 3.15Å; R280-D282 PolarHBondContact O-N 2.98Å
281K74.4Confident82.5Confident180 Ų18055.1 Ų55.178%0.78328%0.281SS*.G310 helixtrans-70.2-17.5177.1-64.5-177.81781780112.2A278 L279 P283A278-K281 WeakPolarHBondContact O-CB 3.33Å; A278-K281 PolarHBondContact O-N 2.93Å; L279-K281 PolarHBondContact O-N 2.79Å; K281-P283 WeakPolarHBondContact O-CD 3.43Å
282D72.5Confident82.3Confident50 Ų5055.8 Ų55.827%0.26729%0.285SS..  trans-83.5111.2174.2-170.2-19.3000110L279 R280 F284 L285L279-D282 PolarHBondContact O-N 3.47Å; R280-D282 PolarHBondContact O-N 2.98Å; D282-F284 PolarHBondContact O-N 3.24Å; D282-F284 WeakPolarHBondContact OD1-CB 3.36Å; D282-F284 WeakPolarHBondContact OD1-CD2 3.19Å; D282-F284 PolarHBondContact OD1-N 3.12Å; D282-L285 HydrophobicContact CB-CB 3.99Å; D282-L285 PolarHBondContact O-N 2.93Å; D282-L285 VanDerWaalsContact O-N 3.17Å
283P63.4Low82.3Confident106 Ų10654.5 Ų54.569%0.68829%0.291SS*.THydrogen-bonded Turntrans-68.3-14.6179.830.4-36000113.1K281K281-P283 WeakPolarHBondContact O-CD 3.43Å
284F62.4Low82.5Confident164 Ų16457.6 Ų57.672%0.71930%0.302SS*.THydrogen-bonded Turntrans-86.1-16176.4-59.6-74.1000112.5D282 R286D282-F284 PolarHBondContact O-N 3.24Å; D282-F284 WeakPolarHBondContact OD1-CB 3.36Å; D282-F284 WeakPolarHBondContact OD1-CD2 3.19Å; D282-F284 PolarHBondContact OD1-N 3.12Å; F284-R286 PolarHBondContact O-N 2.91Å
285L72.5Confident82.9Confident13 Ų1352.3 Ų52.37%0.06827%0.274CS..  trans-83.9103.5-178.5-16276.3000111F246 A249 V250 L279 D282 Y287F246-L285 HydrophobicContact CD2-CD1 3.46Å; F246-L285 VanDerWaalsContact CD2-CD1 3.46Å; F246-L285 HydrophobicContact CD2-CG 4.33Å; F246-L285 HydrophobicContact CE2-CD1 3.25Å; F246-L285 HydrophobicContact CE2-CG 3.76Å; F246-L285 HydrophobicContact CG-CD1 4.43Å; F246-L285 HydrophobicContact CZ-CD1 4.12Å; A249-L285 HydrophobicContact CB-CD1 3.92Å; V250-L285 HydrophobicContact CG2-CD1 3.73Å; V250-L285 HydrophobicContact CG2-CD2 4.36Å; L279-L285 HydrophobicContact CB-CD2 3.69Å; L279-L285 HydrophobicContact CD2-CD2 3.91Å; L279-L285 HydrophobicContact CG-CD2 4.31Å; L279-L285 WeakPolarHBondContact O-CD2 3.37Å; D282-L285 HydrophobicContact CB-CB 3.99Å; D282-L285 PolarHBondContact O-N 2.93Å; D282-L285 VanDerWaalsContact O-N 3.17Å; L285-Y287 HydrophobicContact CD2-CE1 4.2Å; L285-Y287 VanDerWaalsContact CD2-OH 3.27Å; L285-Y287 WeakPolarHBondContact CD2-OH 3.4Å; L285-Y287 HydrophobicContact CG-CE1 4.45Å
286R76.1Confident83.1Confident100 Ų10050.6 Ų50.638%0.37726%0.263SS..  trans-106.4152.7176.8-54.3-172.7-155.1126.15.7110.6F246 F284 P288 L355F246-R286 WeakPolarHBondContact CE2-O 3.21Å; F284-R286 PolarHBondContact O-N 2.91Å; R286-P288 VanDerWaalsContact C-CD 3.43Å; R286-P288 WeakPolarHBondContact O-CD 3.3Å; R286-L355 VanDerWaalsContact NH2-CD1 3.26Å
287Y82.3Confident83.3Confident17 Ų1753.2 Ų53.27%0.06728%0.28CS..  trans-116.475.7177.1-52.7-79.9000109.5V123 A152 F246 L279 L285V123-Y287 HydrophobicContact CG1-CD2 3.94Å; V123-Y287 HydrophobicContact CG1-CE2 4.49Å; A152-Y287 VanDerWaalsContact CA-CE1 3.44Å; A152-Y287 HydrophobicContact CB-CD1 4.33Å; A152-Y287 HydrophobicContact CB-CE1 3.55Å; F246-Y287 HydrophobicContact CE2-CD1 4.47Å; F246-Y287 HydrophobicContact CZ-CD1 4.19Å; F246-Y287 HydrophobicContact CZ-CE1 4.3Å; L279-Y287 WeakPolarHBondContact CB-OH 3.47Å; L285-Y287 HydrophobicContact CD2-CE1 4.2Å; L285-Y287 VanDerWaalsContact CD2-OH 3.27Å; L285-Y287 WeakPolarHBondContact CD2-OH 3.4Å; L285-Y287 HydrophobicContact CG-CE1 4.45Å
288P83.6Confident83.6Confident18 Ų1853.9 Ų53.912%0.11728%0.282CS..  trans-71.3164.6-176.833-37.3000111.3L233 N235 R286 H290L233-P288 WeakPolarHBondContact O-CA 3.36Å; N235-P288 HydrophobicContact CB-CB 3.79Å; N235-P288 HydrophobicContact CB-CG 3.61Å; R286-P288 VanDerWaalsContact C-CD 3.43Å; R286-P288 WeakPolarHBondContact O-CD 3.3Å; P288-H290 PolarHBondContact O-CE1 3.09Å; P288-H290 PolarHBondContact O-ND1 3.14Å
289I90.4Very high83.9Confident2 Ų253.1 Ų53.11%0.0127%0.274CS..BIsolated β-bridgetrans-78.4137.2171.9-52-62.7000109.1F122 F155 L169 L207 L233 M234 N235 L296F122-I289 HydrophobicContact CD1-CD1 4.5Å; F122-I289 HydrophobicContact CD2-CD1 4.32Å; F122-I289 HydrophobicContact CE1-CD1 4.22Å; F122-I289 HydrophobicContact CE2-CD1 4.05Å; F122-I289 HydrophobicContact CE2-CG1 4.23Å; F122-I289 HydrophobicContact CZ-CD1 3.99Å; F122-I289 HydrophobicContact CZ-CG1 4.41Å; F155-I289 HydrophobicContact CD1-CD1 3.55Å; F155-I289 HydrophobicContact CE1-CD1 3.39Å; F155-I289 HydrophobicContact CZ-CD1 4.45Å; L169-I289 HydrophobicContact CD1-CD1 4.07Å; L169-I289 HydrophobicContact CD1-CG2 3.86Å; L169-I289 HydrophobicContact CG-CD1 4.49Å; L207-I289 HydrophobicContact CD1-CD1 4.37Å; L207-I289 HydrophobicContact CD1-CG1 4Å; L207-I289 HydrophobicContact CD1-CG2 3.99Å; L233-I289 PolarHBondContact O-N 2.83Å; M234-I289 HydrophobicContact CE-CG1 4.36Å; M234-I289 HydrophobicContact SD-CB 3.78Å; M234-I289 HydrophobicContact SD-CG1 4.14Å; M234-I289 HydrophobicContact SD-CG2 4.31Å; N235-I289 WeakPolarHBondContact CB-O 3.07Å; N235-I289 PolarHBondContact N-O 2.85Å; I289-L296 HydrophobicContact CG2-CD1 3.82Å
290H87.7Confident84.4Confident17 Ų1753.5 Ų53.58%0.07928%0.276CS..  trans-109.4147.8-174.1-66.575000111.4S157 N166 N235 P288 D292S157-H290 WeakPolarHBondContact CB-NE2 3.32Å; N166-H290 PolarHBondContact ND2-O 3.33Å; N166-H290 PolarHBondContact OD1-N 3.34Å; N166-H290 VanDerWaalsContact OD1-N 3.12Å; N235-H290 PolarHBondContact ND2-CD2 3.02Å; N235-H290 VanDerWaalsContact ND2-CD2 3.29Å; N235-H290 PolarHBondContact ND2-NE2 2.81Å; P288-H290 PolarHBondContact O-CE1 3.09Å; P288-H290 PolarHBondContact O-ND1 3.14Å; H290-D292 PolarHBondContact O-N 3.31Å
291V90.9Very high85.3Confident52 Ų5253.8 Ų53.832%0.31529%0.286SS..  trans-81.9102162.8177.10000107.8D236 L296D236-V291 HydrophobicContact CB-CG2 4.03Å; D236-V291 WeakPolarHBondContact OD2-CB 3.18Å; D236-V291 WeakPolarHBondContact OD2-CG2 3.27Å; V291-L296 WeakPolarHBondContact CG1-O 3.16Å; V291-L296 HydrophobicContact CG2-CB 4.2Å; V291-L296 HydrophobicContact CG2-CD1 4.34Å
292D89.8Confident86.2Confident37 Ų3748.9 Ų48.920%0.19827%0.266CS..  trans-100-2.4-171.961.9-3.3000113N166 H290 H294 F295 L296N166-D292 VanDerWaalsContact ND2-CG 3.29Å; N166-D292 PolarHBondContact ND2-OD2 3.24Å; H290-D292 PolarHBondContact O-N 3.31Å; D292-H294 PolarHBondContact O-N 3.48Å; D292-H294 PolarHBondContact OD1-N 2.88Å; D292-F295 PolarHBondContact OD1-N 2.87Å; D292-F295 WeakPolarHBondContact OD2-CB 3.4Å; D292-F295 PolarHBondContact OD2-N 3.12Å; D292-L296 PolarHBondContact N-O 3.12Å; D292-L296 PolarHBondContact OD1-N 2.86Å
293G92Very high87.3Confident54 Ų5446.6 Ų46.656%0.55725%0.254SS*.SBendtrans71.63.1-17600000113.9L296G293-L296 WeakPolarHBondContact CA-O 3.48Å; G293-L296 PolarHBondContact N-O 2.87Å
294H94.5Very high88.9Confident109 Ų10942.3 Ų42.351%0.50523%0.225SC..SBendtrans-123.9-61.4-176-17555.2000112.3D292D292-H294 PolarHBondContact O-N 3.48Å; D292-H294 PolarHBondContact OD1-N 2.88Å
295F96.8Very high90.5Very high0 Ų041.9 Ų41.90%023%0.225CC..SBendtrans-80.5-47.7172.9-179.5-87.5000110.5L169 L170 I173 L207 L208 S211 L213 D292L169-F295 HydrophobicContact CB-CD1 4.26Å; L169-F295 HydrophobicContact CB-CD2 4.02Å; L169-F295 HydrophobicContact CB-CE1 4.09Å; L169-F295 HydrophobicContact CB-CE2 3.76Å; L169-F295 HydrophobicContact CB-CG 4.28Å; L169-F295 HydrophobicContact CB-CZ 3.82Å; L169-F295 HydrophobicContact CD1-CD1 3.59Å; L169-F295 HydrophobicContact CD1-CE1 3.36Å; L169-F295 HydrophobicContact CD1-CG 4.36Å; L169-F295 HydrophobicContact CD1-CZ 3.88Å; L169-F295 HydrophobicContact CD2-CZ 4.49Å; L169-F295 HydrophobicContact CG-CE1 4.23Å; L169-F295 HydrophobicContact CG-CZ 4.27Å; L170-F295 HydrophobicContact CD2-CB 4.27Å; L170-F295 HydrophobicContact CD2-CD2 4.23Å; I173-F295 HydrophobicContact CD1-CE2 4.21Å; I173-F295 HydrophobicContact CG1-CD2 4.2Å; I173-F295 HydrophobicContact CG1-CE2 3.91Å; L207-F295 HydrophobicContact CB-CE1 4.05Å; L207-F295 HydrophobicContact CB-CZ 4.26Å; L208-F295 HydrophobicContact CD2-CE2 3.96Å; L208-F295 HydrophobicContact CD2-CZ 4.14Å; S211-F295 WeakPolarHBondContact CA-O 3.46Å; S211-F295 VanDerWaalsContact CB-O 3.23Å; S211-F295 WeakPolarHBondContact CB-O 3.33Å; S211-F295 WeakPolarHBondContact OG-CD2 3.36Å; S211-F295 PolarHBondContact OG-O 3.1Å; L213-F295 HydrophobicContact CD1-CB 4.26Å; L213-F295 HydrophobicContact CD1-CD2 4.3Å; D292-F295 PolarHBondContact OD1-N 2.87Å; D292-F295 WeakPolarHBondContact OD2-CB 3.4Å; D292-F295 PolarHBondContact OD2-N 3.12Å
296L95.1Very high91.6Very high2 Ų245.6 Ų45.61%0.0124%0.241CC..  trans-113.2120.5169.8-73.4175.4000109.1L207 L210 I289 V291 D292 G293 V300 L303L207-L296 HydrophobicContact CD2-CD1 4.03Å; L207-L296 HydrophobicContact CD2-CD2 4.14Å; L210-L296 HydrophobicContact CB-CD2 4.29Å; I289-L296 HydrophobicContact CG2-CD1 3.82Å; V291-L296 WeakPolarHBondContact CG1-O 3.16Å; V291-L296 HydrophobicContact CG2-CB 4.2Å; V291-L296 HydrophobicContact CG2-CD1 4.34Å; D292-L296 PolarHBondContact N-O 3.12Å; D292-L296 PolarHBondContact OD1-N 2.86Å; G293-L296 WeakPolarHBondContact CA-O 3.48Å; G293-L296 PolarHBondContact N-O 2.87Å; L296-V300 HydrophobicContact CD1-CG2 4.35Å; L296-L303 HydrophobicContact CD2-CD1 3.99Å
297T94.3Very high92.6Very high66 Ų6644.8 Ų44.841%0.40524%0.241SC..SBendtrans-87.5-23.1-176.757.10000113.7P212P212-T297 HydrophobicContact CG-CG2 4.06Å
298E93.7Very high93.3Very high43 Ų4348.8 Ų48.820%0.20126%0.259CS..SBendtrans-146.8161.9-176.6-63.6-178.4175.600109L303 K306 K308E298-L303 HydrophobicContact CB-CD2 3.85Å; E298-L303 HydrophobicContact CB-CG 4.01Å; E298-L303 HydrophobicContact CG-CD2 4.44Å; E298-L303 WeakPolarHBondContact O-CD1 3.42Å; E298-K306 IonicContact OE1-NZ 3.74Å; E298-K306 WeakPolarHBondContact OE2-CD 3.41Å; E298-K306 IonicContact OE2-NZ 3.71Å; E298-K306 PolarHBondContact OE2-NZ 3.28Å; E298-K308 IonicContact OE1-NZ 3.5Å; E298-K308 PolarHBondContact OE1-NZ 3.44Å; E298-K308 IonicContact OE2-NZ 2.58Å; E298-K308 PolarHBondContact OE2-NZ 3.1Å
299P92.4Very high94Very high22 Ų2249 Ų4914%0.14326%0.259CS..  trans-53.3141.4172-17.521.4000112.1D236 E302 L303D236-P299 HydrophobicContact CB-CB 4.37Å; D236-P299 WeakPolarHBondContact OD2-CA 3.33Å; D236-P299 VanDerWaalsContact OD2-CB 3.28Å; D236-P299 WeakPolarHBondContact OD2-CB 3.04Å; D236-P299 WeakPolarHBondContact OD2-CG 3.17Å; P299-E302 HydrophobicContact CB-CG 4.25Å; P299-E302 HydrophobicContact CG-CG 4.19Å; P299-E302 WeakPolarHBondContact O-CB 3.15Å; P299-E302 PolarHBondContact O-N 3.01Å; P299-L303 PolarHBondContact O-N 2.59Å
300V93.5Very high94.4Very high8 Ų850.4 Ų50.45%0.04827%0.266CS..Hα-helixtrans-54.2-44.9-179.2172.30000113L207 L210 A228 M234 L296 E302 L303 L304L207-V300 HydrophobicContact CD2-CG2 4.13Å; L210-V300 HydrophobicContact CD1-CB 4.42Å; L210-V300 HydrophobicContact CD1-CG1 3.78Å; L210-V300 HydrophobicContact CD1-CG2 4.11Å; A228-V300 HydrophobicContact CB-CG1 3.85Å; A228-V300 HydrophobicContact CB-CG2 4.33Å; A228-V300 WeakPolarHBondContact O-CG1 3.35Å; M234-V300 HydrophobicContact SD-CG2 4.45Å; L296-V300 HydrophobicContact CD1-CG2 4.35Å; V300-E302 PolarHBondContact O-N 2.59Å; V300-L303 PolarHBondContact O-N 3.47Å; V300-L304 HydrophobicContact CG1-CD1 3.75Å; V300-L304 HydrophobicContact CG1-CG 4.05Å; V300-L304 WeakPolarHBondContact O-CG 3.42Å; V300-L304 PolarHBondContact O-N 3.34Å
301P92.3Very high94.8Very high69 Ų6953.2 Ų53.245%0.44829%0.285SS..Hα-helixtrans-56.4-37.3176.4-26.836.2000113.1Q305P301-Q305 VanDerWaalsContact O-CB 3.26Å; P301-Q305 WeakPolarHBondContact O-CB 3.38Å; P301-Q305 PolarHBondContact O-N 3.2Å
302E94.6Very high95.2Very high77 Ų7752.2 Ų52.236%0.3628%0.278SS..Hα-helixtrans-71.7-42.4177.5-64-169.5-157.100112.3P299 V300 L304 Q305 K306P299-E302 HydrophobicContact CB-CG 4.25Å; P299-E302 HydrophobicContact CG-CG 4.19Å; P299-E302 WeakPolarHBondContact O-CB 3.15Å; P299-E302 PolarHBondContact O-N 3.01Å; V300-E302 PolarHBondContact O-N 2.59Å; E302-L304 VanDerWaalsContact C-N 3.32Å; E302-L304 PolarHBondContact O-N 3.47Å; E302-Q305 PolarHBondContact O-N 3.31Å; E302-K306 VanDerWaalsContact O-CB 3.26Å; E302-K306 WeakPolarHBondContact O-CB 3.32Å; E302-K306 VanDerWaalsContact O-CG 3.26Å; E302-K306 WeakPolarHBondContact O-CG 3.24Å; E302-K306 PolarHBondContact O-N 3.04Å; E302-K306 IonicContact OE2-NZ 3.38Å; E302-K306 PolarHBondContact OE2-NZ 2.79Å
303L96.1Very high95.6Very high2 Ų251.8 Ų51.81%0.0128%0.278CS..Hα-helixtrans-59.6-45176.7-68.8174.5000111L210 L296 E298 P299 V300 H307 K308L210-L303 HydrophobicContact CB-CD1 4.07Å; L210-L303 HydrophobicContact CD1-CD1 4.46Å; L210-L303 HydrophobicContact CD2-CB 4.44Å; L296-L303 HydrophobicContact CD2-CD1 3.99Å; E298-L303 HydrophobicContact CB-CD2 3.85Å; E298-L303 HydrophobicContact CB-CG 4.01Å; E298-L303 HydrophobicContact CG-CD2 4.44Å; E298-L303 WeakPolarHBondContact O-CD1 3.42Å; P299-L303 PolarHBondContact O-N 2.59Å; V300-L303 PolarHBondContact O-N 3.47Å; L303-H307 PolarHBondContact O-N 3.07Å; L303-H307 VanDerWaalsContact O-N 3.15Å; L303-K308 HydrophobicContact CD2-CB 3.79Å; L303-K308 HydrophobicContact CD2-CD 4.16Å; L303-K308 PolarHBondContact O-N 3.49Å
304L96.2Very high96Very high16 Ų1649.2 Ų49.28%0.08425%0.252CS..Hα-helixtrans-65.2-46.7176.9-65.5176.5000111.4L210 A229 V300 E302 K306 H307 L309 V406 A409L210-L304 HydrophobicContact CD1-CD2 4.38Å; L210-L304 HydrophobicContact CD2-CD2 3.89Å; A229-L304 HydrophobicContact CB-CD1 4.31Å; V300-L304 HydrophobicContact CG1-CD1 3.75Å; V300-L304 HydrophobicContact CG1-CG 4.05Å; V300-L304 WeakPolarHBondContact O-CG 3.42Å; V300-L304 PolarHBondContact O-N 3.34Å; E302-L304 VanDerWaalsContact C-N 3.32Å; E302-L304 PolarHBondContact O-N 3.47Å; L304-K306 PolarHBondContact O-N 3.14Å; L304-H307 PolarHBondContact O-CD2 3.19Å; L304-H307 VanDerWaalsContact O-CD2 3.22Å; L304-H307 PolarHBondContact O-N 3.39Å; L304-L309 HydrophobicContact CD2-CD2 4.35Å; L304-V406 HydrophobicContact CD1-CG2 4.04Å; L304-A409 HydrophobicContact CB-CB 3.91Å; L304-A409 HydrophobicContact CD2-CB 3.76Å; L304-A409 HydrophobicContact CG-CB 4.33Å
305Q95.8Very high96.2Very high155 Ų15544 Ų4472%0.72423%0.227SC*.Hα-helixtrans-64.9-38.2-179.6-174.2-175.63400112.8P301 E302 H307P301-Q305 VanDerWaalsContact O-CB 3.26Å; P301-Q305 WeakPolarHBondContact O-CB 3.38Å; P301-Q305 PolarHBondContact O-N 3.2Å; E302-Q305 PolarHBondContact O-N 3.31Å; Q305-H307 VanDerWaalsContact C-N 3.26Å; Q305-H307 PolarHBondContact O-N 3.43Å
306K96.7Very high96.3Very high92 Ų9244 Ų4440%0.423%0.227SC..THydrogen-bonded Turntrans-83.9-0.4-179.9-64.9168-175.5160.20112.8E298 E302 L304 K308E298-K306 IonicContact OE1-NZ 3.74Å; E298-K306 WeakPolarHBondContact OE2-CD 3.41Å; E298-K306 IonicContact OE2-NZ 3.71Å; E298-K306 PolarHBondContact OE2-NZ 3.28Å; E302-K306 VanDerWaalsContact O-CB 3.26Å; E302-K306 WeakPolarHBondContact O-CB 3.32Å; E302-K306 VanDerWaalsContact O-CG 3.26Å; E302-K306 WeakPolarHBondContact O-CG 3.24Å; E302-K306 PolarHBondContact O-N 3.04Å; E302-K306 IonicContact OE2-NZ 3.38Å; E302-K306 PolarHBondContact OE2-NZ 2.79Å; L304-K306 PolarHBondContact O-N 3.14Å; K306-K308 HydrophobicContact CB-CD 4.36Å; K306-K308 HydrophobicContact CB-CG 4.04Å; K306-K308 HydrophobicContact CD-CD 4.39Å; K306-K308 PolarHBondContact O-N 2.75Å
307H96.5Very high96.5Very high83 Ų8344 Ų4438%0.38423%0.227SC..THydrogen-bonded Turntrans52.535.6-172.9-54.3155000113.2L303 L304 Q305 L309 A413L303-H307 PolarHBondContact O-N 3.07Å; L303-H307 VanDerWaalsContact O-N 3.15Å; L304-H307 PolarHBondContact O-CD2 3.19Å; L304-H307 VanDerWaalsContact O-CD2 3.22Å; L304-H307 PolarHBondContact O-N 3.39Å; Q305-H307 VanDerWaalsContact C-N 3.26Å; Q305-H307 PolarHBondContact O-N 3.43Å; H307-L309 VanDerWaalsContact C-N 3.26Å; H307-L309 PolarHBondContact O-N 3Å; H307-L309 VanDerWaalsContact O-N 3.08Å; H307-A413 HydrophobicContact CB-CB 3.85Å
308K97.2Very high96.7Very high100 Ų10040.8 Ų40.844%0.43521%0.208SC..  trans-84.472.9173-70.6-177.7179.7179.90109.2E298 L303 K306E298-K308 IonicContact OE1-NZ 3.5Å; E298-K308 PolarHBondContact OE1-NZ 3.44Å; E298-K308 IonicContact OE2-NZ 2.58Å; E298-K308 PolarHBondContact OE2-NZ 3.1Å; L303-K308 HydrophobicContact CD2-CB 3.79Å; L303-K308 HydrophobicContact CD2-CD 4.16Å; L303-K308 PolarHBondContact O-N 3.49Å; K306-K308 HydrophobicContact CB-CD 4.36Å; K306-K308 HydrophobicContact CB-CG 4.04Å; K306-K308 HydrophobicContact CD-CD 4.39Å; K306-K308 PolarHBondContact O-N 2.75Å
309L97.5Very high96.9Very high22 Ų2238.8 Ų38.812%0.11520%0.198CC..SBendtrans-147.9159.8-173.460.780.7000111.2L210 L304 H307 T311 A409 A413L210-L309 HydrophobicContact CD2-CB 3.59Å; L304-L309 HydrophobicContact CD2-CD2 4.35Å; H307-L309 VanDerWaalsContact C-N 3.26Å; H307-L309 PolarHBondContact O-N 3Å; H307-L309 VanDerWaalsContact O-N 3.08Å; L309-T311 HydrophobicContact CD1-CG2 3.73Å; L309-A409 HydrophobicContact CD2-CB 4.44Å; L309-A413 HydrophobicContact CD1-CB 3.7Å; L309-A413 HydrophobicContact CD2-CB 4.21Å; L309-A413 HydrophobicContact CG-CB 4.15Å
310L98.3Very high97.1Very high33 Ų3338.7 Ų38.717%0.17320%0.197CC..  trans-78.3127.6172.5-60.2-179.8000110.1L209 S214 D215 F218 V312L209-L310 HydrophobicContact CD2-CB 4.16Å; L209-L310 PolarHBondContact O-N 3.02Å; S214-L310 VanDerWaalsContact OG-CD1 3.28Å; S214-L310 WeakPolarHBondContact OG-CD1 3.45Å; D215-L310 HydrophobicContact CB-CD2 4.24Å; F218-L310 HydrophobicContact CE1-CD1 4.24Å; F218-L310 HydrophobicContact CZ-CD1 3.83Å; L310-V312 PolarHBondContact O-N 2.69Å
311T97.9Very high97.3Very high76 Ų7639.2 Ų39.247%0.46620%0.199SC..  trans-96.729-174.452.70000114L309 A413L309-T311 HydrophobicContact CD1-CG2 3.73Å; T311-A413 HydrophobicContact CG2-CB 3.99Å
312V98.6Very high97.6Very high30 Ų3036 Ų3618%0.18218%0.178CC..SBendtrans-62.8156172.7-62.30000111L209 F218 H219 L310 F314L209-V312 HydrophobicContact CD2-CG2 3.52Å; F218-V312 HydrophobicContact CD2-CG2 4.2Å; F218-V312 HydrophobicContact CE2-CG2 3.77Å; H219-V312 WeakPolarHBondContact O-CB 3.02Å; L310-V312 PolarHBondContact O-N 2.69Å; V312-F314 PolarHBondContact O-N 3.47Å
313P98.9Very high97.7Very high29 Ų2932.4 Ų32.419%0.18816%0.161CC..  trans-51.1137.1173.1-27.735.1000111.7H219 R220 A221 D416 F482H219-P313 WeakPolarHBondContact O-CD 3.02Å; R220-P313 WeakPolarHBondContact CA-O 3.5Å; R220-P313 HydrophobicContact CG-CB 4.35Å; R220-P313 HydrophobicContact CG-CG 4.48Å; A221-P313 PolarHBondContact N-O 2.97Å; P313-D416 WeakPolarHBondContact CA-O 3.38Å; P313-D416 HydrophobicContact CB-CB 4.42Å; P313-F482 VanDerWaalsContact C-CZ 3.49Å; P313-F482 HydrophobicContact CB-CE2 3.77Å; P313-F482 HydrophobicContact CB-CZ 3.85Å; P313-F482 WeakPolarHBondContact O-CZ 3.27Å
314F98.9Very high97.7Very high0 Ų032.3 Ų32.30%016%0.16CC..EExtended strand (participates in β ladder)trans-137.4129.8-169.9-179.7-134000112.5L209 A221 A223 V312 T316 V406 H410 D416 V417 F418L209-F314 HydrophobicContact CD1-CD2 3.74Å; L209-F314 HydrophobicContact CD1-CE2 3.75Å; L209-F314 HydrophobicContact CD1-CG 4.22Å; L209-F314 HydrophobicContact CD1-CZ 4.24Å; A221-F314 HydrophobicContact CB-CD2 3.82Å; A221-F314 HydrophobicContact CB-CE2 4.39Å; A221-F314 CarbonylContact O-C 3.59Å; A221-F314 WeakPolarHBondContact O-CA 3.35Å; A221-F314 WeakPolarHBondContact O-CD2 3.49Å; A223-F314 HydrophobicContact CB-CE2 3.7Å; A223-F314 HydrophobicContact CB-CZ 3.87Å; V312-F314 PolarHBondContact O-N 3.47Å; F314-T316 HydrophobicContact CE1-CG2 3.81Å; F314-T316 HydrophobicContact CZ-CG2 4.1Å; F314-V406 HydrophobicContact CE1-CG1 3.91Å; F314-V406 HydrophobicContact CZ-CG1 4.19Å; F314-H410 HydrophobicContact CD1-CB 4.14Å; F314-H410 AromaticContact CD1-CG 3.93Å; F314-D416 PolarHBondContact N-O 3.01Å; F314-V417 HydrophobicContact CD1-CG1 4.35Å; F314-V417 HydrophobicContact CD1-CG2 4.5Å; F314-V417 CarbonylContact O-C 3.56Å; F314-V417 VanDerWaalsContact O-CA 3.28Å; F314-V417 WeakPolarHBondContact O-CA 3.26Å; F314-F418 PolarHBondContact O-N 3.27Å
315I98.9Very high97.7Very high0 Ų031.9 Ų31.90%016%0.158CC..EExtended strand (participates in β ladder)trans-108.1135.9166-56.5-167.6000108.9A221 I222 A223 F418 Y420 F482 P488 W496A221-I315 PolarHBondContact O-N 3.44Å; I222-I315 CarbonylContact C-O 3.59Å; I222-I315 VanDerWaalsContact CA-O 3.27Å; I222-I315 WeakPolarHBondContact CA-O 3.4Å; I222-I315 HydrophobicContact CB-CB 4.35Å; I222-I315 HydrophobicContact CG1-CB 4.16Å; I222-I315 HydrophobicContact CG1-CG1 4.45Å; I222-I315 HydrophobicContact CG2-CB 3.99Å; I222-I315 HydrophobicContact CG2-CG2 4.12Å; A223-I315 PolarHBondContact N-O 3.23Å; I315-F418 WeakPolarHBondContact CA-O 3.44Å; I315-F418 HydrophobicContact CG1-CB 4.13Å; I315-F418 HydrophobicContact CG1-CD2 4.45Å; I315-Y420 HydrophobicContact CG2-CD1 4.01Å; I315-Y420 HydrophobicContact CG2-CE1 4.17Å; I315-F482 HydrophobicContact CD1-CB 3.83Å; I315-F482 HydrophobicContact CD1-CD1 3.87Å; I315-F482 HydrophobicContact CD1-CD2 3.59Å; I315-F482 HydrophobicContact CD1-CE1 4.26Å; I315-F482 HydrophobicContact CD1-CE2 4.03Å; I315-F482 HydrophobicContact CD1-CG 3.47Å; I315-F482 VanDerWaalsContact CD1-CG 3.47Å; I315-F482 HydrophobicContact CD1-CZ 4.32Å; I315-F482 HydrophobicContact CG1-CD1 4.01Å; I315-F482 HydrophobicContact CG1-CD2 3.71Å; I315-F482 HydrophobicContact CG1-CE1 3.87Å; I315-F482 HydrophobicContact CG1-CE2 3.58Å; I315-F482 HydrophobicContact CG1-CG 3.9Å; I315-F482 HydrophobicContact CG1-CZ 3.64Å; I315-P488 HydrophobicContact CD1-CB 4.15Å; I315-P488 HydrophobicContact CD1-CG 4.38Å; I315-W496 HydrophobicContact CD1-CH2 4.46Å; I315-W496 HydrophobicContact CG2-CH2 4.05Å; I315-W496 HydrophobicContact CG2-CZ2 4.08Å
316T98.8Very high97.6Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-139.3162.6165.2-173.40000110.6A223 F314 A407 F418 L419 Y420A223-T316 VanDerWaalsContact O-CA 3.27Å; A223-T316 WeakPolarHBondContact O-CA 3.44Å; A223-T316 PolarHBondContact O-OG1 3.02Å; F314-T316 HydrophobicContact CE1-CG2 3.81Å; F314-T316 HydrophobicContact CZ-CG2 4.1Å; T316-A407 HydrophobicContact CG2-CB 3.87Å; T316-F418 PolarHBondContact N-O 3.02Å; T316-L419 HydrophobicContact CG2-CD1 3.9Å; T316-L419 VanDerWaalsContact O-CA 3.29Å; T316-L419 WeakPolarHBondContact O-CA 3.41Å; T316-L419 WeakPolarHBondContact O-CD1 3.28Å; T316-Y420 WeakPolarHBondContact O-CD1 3.3Å; T316-Y420 PolarHBondContact O-N 2.99Å; T316-Y420 VanDerWaalsContact O-N 3.1Å
317G98.5Very high97.4Very high0 Ų021.6 Ų21.60%011%0.113CC..EExtended strand (participates in β ladder)trans178.5178.717800000112.9A223 S225 Y420A223-G317 PolarHBondContact O-N 3.33Å; S225-G317 WeakPolarHBondContact CA-O 3.37Å; S225-G317 PolarHBondContact N-O 2.83Å; G317-Y420 WeakPolarHBondContact CA-O 3.24Å
318V98.7Very high97.3Very high0 Ų017.7 Ų17.70%010%0.095CC..EExtended strand (participates in β ladder)trans-140.3165.1-176.7-64.30000110.7E322 F399 A403 Y420 E421 Y422 L519V318-E322 VanDerWaalsContact CA-OE1 3.32Å; V318-E322 WeakPolarHBondContact CA-OE1 3.37Å; V318-E322 HydrophobicContact CB-CG 4.31Å; V318-E322 WeakPolarHBondContact CB-OE1 3.34Å; V318-F399 HydrophobicContact CG1-CB 4.08Å; V318-A403 HydrophobicContact CG1-CB 3.81Å; V318-Y420 PolarHBondContact N-O 2.97Å; V318-E421 HydrophobicContact CG2-CG 4.32Å; V318-E421 CarbonylContact O-C 3.31Å; V318-E421 VanDerWaalsContact O-CA 3.24Å; V318-E421 WeakPolarHBondContact O-CA 3.3Å; V318-Y422 PolarHBondContact O-N 3.5Å; V318-L519 HydrophobicContact CG2-CD2 4.07Å
319N98.7Very high97Very high0 Ų014.2 Ų14.20%08%0.081CC..EExtended strand (participates in β ladder)trans-90.2154.7168.5-60.8-16.4000109.6H321 E322 Y422 C439 D440 E444N319-H321 PolarHBondContact O-N 3.16Å; N319-H321 VanDerWaalsContact O-N 3.1Å; N319-E322 HydrophobicContact CB-CG 4.48Å; N319-E322 PolarHBondContact N-OE1 2.94Å; N319-Y422 WeakPolarHBondContact CA-O 3.04Å; N319-Y422 WeakPolarHBondContact OD1-CB 3.31Å; N319-C439 HydrophobicContact CB-CB 4.39Å; N319-C439 WeakPolarHBondContact CB-O 3.38Å; N319-D440 PolarHBondContact ND2-O 2.88Å; N319-E444 PolarHBondContact ND2-OE2 2.95Å; N319-E444 PolarHBondContact OD1-OE2 2.83Å
320N97.4Very high96.5Very high21 Ų2119.9 Ų19.911%0.11211%0.107CC..THydrogen-bonded Turntrans-70.5-7.1-174.774.45.7000114.4E421 Y422 H423 K438 C439 R520N320-E421 HydrophobicContact CB-CG 4.19Å; N320-Y422 PolarHBondContact N-O 3.17Å; N320-H423 PolarHBondContact ND2-ND1 2.87Å; N320-K438 VanDerWaalsContact OD1-CB 3.3Å; N320-K438 WeakPolarHBondContact OD1-CB 3.34Å; N320-C439 WeakPolarHBondContact OD1-CA 3.33Å; N320-C439 WeakPolarHBondContact OD1-CB 3.3Å; N320-C439 PolarHBondContact OD1-N 3.43Å; N320-C439 PolarHBondContact OD1-O 3.28Å; N320-R520 PolarHBondContact O-NH2 3.09Å
321H97.9Very high96.1Very high19 Ų1921.2 Ų21.29%0.08811%0.111CC..THydrogen-bonded Turntrans-150.154.4-179.3-164.3-150.5000113.1N319 G323 G324 T391 K438 C439 D440N319-H321 PolarHBondContact O-N 3.16Å; N319-H321 VanDerWaalsContact O-N 3.1Å; H321-G323 VanDerWaalsContact C-N 3.26Å; H321-G323 PolarHBondContact O-N 3.29Å; H321-G324 WeakPolarHBondContact CE1-CA 3.27Å; H321-G324 WeakPolarHBondContact ND1-CA 3.44Å; H321-G324 WeakPolarHBondContact O-CA 3.43Å; H321-G324 PolarHBondContact O-N 2.97Å; H321-T391 PolarHBondContact NE2-OG1 3.23Å; H321-K438 HydrophobicContact CB-CB 3.79Å; H321-K438 HydrophobicContact CB-CG 4.49Å; H321-K438 PolarHBondContact ND1-N 3.21Å; H321-K438 VanDerWaalsContact ND1-N 3.14Å; H321-C439 CarbonylContact C-O 3.46Å; H321-C439 VanDerWaalsContact C-O 3.31Å; H321-C439 VanDerWaalsContact CA-O 3.29Å; H321-C439 WeakPolarHBondContact CA-O 3.35Å; H321-C439 WeakPolarHBondContact CB-O 3.31Å; H321-C439 PolarHBondContact N-O 3.17Å; H321-D440 WeakPolarHBondContact O-CA 3.42Å
322E98.1Very high95.8Very high2 Ų218.3 Ų18.31%0.00910%0.095CC..THydrogen-bonded Turntrans-52-35.9-179.4-63.8-75-171.300115.3S225 V318 N319 G324 F399 H441S225-E322 WeakPolarHBondContact CB-OE1 3.19Å; S225-E322 PolarHBondContact OG-OE1 2.98Å; V318-E322 VanDerWaalsContact CA-OE1 3.32Å; V318-E322 WeakPolarHBondContact CA-OE1 3.37Å; V318-E322 HydrophobicContact CB-CG 4.31Å; V318-E322 WeakPolarHBondContact CB-OE1 3.34Å; N319-E322 HydrophobicContact CB-CG 4.48Å; N319-E322 PolarHBondContact N-OE1 2.94Å; E322-G324 PolarHBondContact O-N 3.35Å; E322-F399 HydrophobicContact CB-CB 4.15Å; E322-F399 HydrophobicContact CB-CD2 3.44Å; E322-F399 VanDerWaalsContact CB-CD2 3.44Å; E322-F399 HydrophobicContact CB-CE2 3.99Å; E322-F399 HydrophobicContact CB-CG 3.89Å; E322-F399 HydrophobicContact CG-CB 3.73Å; E322-F399 HydrophobicContact CG-CD2 3.95Å; E322-F399 HydrophobicContact CG-CG 3.85Å; E322-H441 WeakPolarHBondContact OE2-CA 3.25Å; E322-H441 WeakPolarHBondContact OE2-CB 3.35Å; E322-H441 IonicContact OE2-CE1 2.78Å; E322-H441 IonicContact OE2-CG 2.67Å; E322-H441 IonicContact OE2-ND1 3.4Å; E322-H441 PolarHBondContact OE2-ND1 3.17Å
323G96.5Very high95.5Very high0 Ų018 Ų180%09%0.094CC..THydrogen-bonded Turntrans-84.48.517700000114H321 G328 T391H321-G323 VanDerWaalsContact C-N 3.26Å; H321-G323 PolarHBondContact O-N 3.29Å; G323-G328 WeakPolarHBondContact O-CA 3.4Å; G323-T391 WeakPolarHBondContact O-CB 3.32Å; G323-T391 VanDerWaalsContact O-CG2 3.23Å; G323-T391 WeakPolarHBondContact O-CG2 3.34Å
324G95.8Very high95.2Very high0 Ų022 Ų220%012%0.12CC..THydrogen-bonded Turntrans-76.8-33.1-160.900000115.5H321 E322 W336 V437 D440H321-G324 WeakPolarHBondContact CE1-CA 3.27Å; H321-G324 WeakPolarHBondContact ND1-CA 3.44Å; H321-G324 WeakPolarHBondContact O-CA 3.43Å; H321-G324 PolarHBondContact O-N 2.97Å; E322-G324 PolarHBondContact O-N 3.35Å; G324-W336 WeakPolarHBondContact O-CH2 3.28Å; G324-V437 WeakPolarHBondContact O-CG2 3.3Å; G324-D440 PolarHBondContact N-OD1 2.99Å
325F95.4Very high94.9Very high8 Ų827.7 Ų27.74%0.03515%0.15CC..THydrogen-bonded Turntrans-152-62.5179.7-178.2-107.1000114.1K79 G328 D329 R337 R433 P434 V437 D440K79-F325 HydrophobicContact CB-CE1 4.41Å; K79-F325 HydrophobicContact CD-CE1 4.39Å; K79-F325 HydrophobicContact CG-CE1 4.16Å; F325-G328 PolarHBondContact O-N 3.38Å; F325-D329 WeakPolarHBondContact O-CB 3.44Å; F325-D329 PolarHBondContact O-N 2.95Å; F325-R337 VanDerWaalsContact CE2-CZ 3.48Å; F325-R433 HydrophobicContact CD1-CB 4.33Å; F325-R433 HydrophobicContact CD1-CG 3.56Å; F325-R433 HydrophobicContact CD2-CB 4.39Å; F325-R433 HydrophobicContact CD2-CG 4.46Å; F325-R433 HydrophobicContact CE1-CB 4.47Å; F325-R433 HydrophobicContact CE1-CG 3.64Å; F325-R433 HydrophobicContact CG-CB 4.27Å; F325-R433 HydrophobicContact CG-CG 3.99Å; F325-R433 HydrophobicContact CZ-CG 4.12Å; F325-P434 HydrophobicContact CD2-CG 4.49Å; F325-P434 HydrophobicContact CE2-CG 4.47Å; F325-V437 HydrophobicContact CB-CG1 3.81Å; F325-V437 HydrophobicContact CB-CG2 3.98Å; F325-D440 VanDerWaalsContact CB-OD2 3.3Å; F325-D440 WeakPolarHBondContact CB-OD2 3.45Å; F325-D440 PolarHBondContact N-OD1 2.92Å
326V93.9Very high94.7Very high17 Ų1728.1 Ų28.110%0.10315%0.152CC..Hα-helixtrans-62.4-51.6-175.3168.80000111.1L76 D440L76-V326 HydrophobicContact CD1-CG1 4.09Å; V326-D440 WeakPolarHBondContact CB-OD2 3.26Å; V326-D440 VanDerWaalsContact CG2-OD2 3.31Å; V326-D440 WeakPolarHBondContact CG2-OD2 3.5Å; V326-D440 PolarHBondContact N-OD2 2.8Å
327V93.8Very high94.5Very high14 Ų1433 Ų339%0.08517%0.17CC..Hα-helixtrans-75.5-40.8177.8-176.50000110.3D329 H330 F331 I394 F398 F399 H441V327-D329 PolarHBondContact O-N 2.96Å; V327-H330 WeakPolarHBondContact O-CB 3.37Å; V327-H330 PolarHBondContact O-N 2.98Å; V327-H330 VanDerWaalsContact O-N 3.07Å; V327-F331 HydrophobicContact CG1-CD2 3.69Å; V327-F331 HydrophobicContact CG1-CE2 3.89Å; V327-F331 WeakPolarHBondContact O-CD2 3.31Å; V327-F331 PolarHBondContact O-N 3.41Å; V327-I394 HydrophobicContact CB-CG2 4.42Å; V327-I394 HydrophobicContact CG1-CG2 3.63Å; V327-F398 HydrophobicContact CG1-CD2 4.45Å; V327-F399 HydrophobicContact CG1-CE2 4.17Å; V327-F399 HydrophobicContact CG2-CE2 4.05Å; V327-F399 HydrophobicContact CG2-CZ 3.91Å; V327-H441 HydrophobicContact CG2-CB 3.81Å
328G92.9Very high94.4Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-54.1-51.3177.500000112.3G323 F325 H330 F331 A332G323-G328 WeakPolarHBondContact O-CA 3.4Å; F325-G328 PolarHBondContact O-N 3.38Å; G328-H330 PolarHBondContact O-N 3.15Å; G328-F331 PolarHBondContact O-N 3.15Å; G328-F331 VanDerWaalsContact O-N 3.17Å; G328-A332 WeakPolarHBondContact O-CA 3.28Å; G328-A332 WeakPolarHBondContact O-CB 3.29Å; G328-A332 PolarHBondContact O-N 3.37Å
329D91.4Very high94.3Very high27 Ų2740 Ų4014%0.14420%0.203CC..Hα-helixtrans-57.4-32.2176.9-89.3-7000113.9K79 F325 V327 W336 R337K79-D329 WeakPolarHBondContact CE-OD2 3.29Å; K79-D329 IonicContact NZ-OD2 3.56Å; K79-D329 PolarHBondContact NZ-OD2 3.48Å; F325-D329 WeakPolarHBondContact O-CB 3.44Å; F325-D329 PolarHBondContact O-N 2.95Å; V327-D329 PolarHBondContact O-N 2.96Å; D329-W336 WeakPolarHBondContact OD1-CZ2 3.46Å; D329-W336 PolarHBondContact OD1-NE1 3.31Å; D329-R337 IonicContact OD1-CZ 3.92Å; D329-R337 IonicContact OD1-NE 2.81Å; D329-R337 PolarHBondContact OD1-NE 3.47Å; D329-R337 IonicContact OD1-NH2 3.79Å; D329-R337 PolarHBondContact OD1-NH2 3.02Å; D329-R337 IonicContact OD2-CZ 3.85Å; D329-R337 IonicContact OD2-NE 2.84Å; D329-R337 IonicContact OD2-NH2 3.45Å; D329-R337 PolarHBondContact OD2-NH2 3.37Å
330H88.3Confident94.2Very high141 Ų14140 Ų4065%0.65320%0.203SC*.Hα-helixtrans-74.7-34.4-178.5-171.470.7000112V327 G328V327-H330 WeakPolarHBondContact O-CB 3.37Å; V327-H330 PolarHBondContact O-N 2.98Å; V327-H330 VanDerWaalsContact O-N 3.07Å; G328-H330 PolarHBondContact O-N 3.15Å
331F89.1Confident94.2Very high61 Ų6142.4 Ų42.427%0.26822%0.216SC..Hα-helixtrans-107.2-3.2-175.2-69.4-74.7000113.8I232 V327 G328 L352 Y390 I394 F398I232-F331 HydrophobicContact CD1-CE1 4.31Å; I232-F331 HydrophobicContact CD1-CZ 4.27Å; V327-F331 HydrophobicContact CG1-CD2 3.69Å; V327-F331 HydrophobicContact CG1-CE2 3.89Å; V327-F331 WeakPolarHBondContact O-CD2 3.31Å; V327-F331 PolarHBondContact O-N 3.41Å; G328-F331 PolarHBondContact O-N 3.15Å; G328-F331 VanDerWaalsContact O-N 3.17Å; F331-L352 HydrophobicContact CB-CD1 4.47Å; F331-L352 HydrophobicContact CD1-CD2 3.9Å; F331-L352 HydrophobicContact CE1-CD2 4.21Å; F331-Y390 PolarHBondContact O-OH 2.73Å; F331-I394 HydrophobicContact CB-CD1 4.14Å; F331-F398 AromaticContact CD2-CE2 3.98Å; F331-F398 HydrophobicContact CD2-CE2 3.98Å; F331-F398 HydrophobicContact CE1-CE2 4.38Å; F331-F398 HydrophobicContact CE2-CD2 4.42Å; F331-F398 AromaticContact CE2-CE2 3.72Å; F331-F398 HydrophobicContact CE2-CE2 3.72Å; F331-F398 HydrophobicContact CG-CE2 4.41Å; F331-F398 AromaticContact CZ-CE2 3.93Å; F331-F398 HydrophobicContact CZ-CE2 3.93Å
332A92.3Very high94Very high16 Ų1644.1 Ų44.113%0.13222%0.222CC..SBendtrans-99151.8-178.800000112G328 W336 Y390G328-A332 WeakPolarHBondContact O-CA 3.28Å; G328-A332 WeakPolarHBondContact O-CB 3.29Å; G328-A332 PolarHBondContact O-N 3.37Å; A332-W336 HydrophobicContact CB-CB 3.66Å; A332-W336 VanDerWaalsContact CB-CD1 3.45Å; A332-W336 HydrophobicContact CB-CD2 3.57Å; A332-W336 HydrophobicContact CB-CE3 4.21Å; A332-W336 HydrophobicContact CB-CG 3.27Å; A332-Y390 HydrophobicContact CB-CE1 3.88Å
333P92.2Very high93.7Very high24 Ų2451 Ų5116%0.15625%0.254CS..PPolyproline II helixtrans-68164.9175.229.3-35.5000111.7W336 M340P333-W336 HydrophobicContact CG-CB 4.42Å; P333-W336 VanDerWaalsContact O-CB 3.29Å; P333-W336 WeakPolarHBondContact O-CB 3.47Å; P333-W336 VanDerWaalsContact O-CD1 3.27Å; P333-W336 PolarHBondContact O-N 3.33Å; P333-M340 HydrophobicContact CG-CE 3.95Å
334P91.7Very high93.6Very high112 Ų11253.7 Ų53.773%0.72727%0.266SS*.THydrogen-bonded Turntrans-51.4145.5171.6-26.435.1000112.5W336P334-W336 PolarHBondContact O-N 3.48Å; P334-W336 VanDerWaalsContact O-N 3.16Å
335N92.6Very high93.6Very high120 Ų12053.8 Ų53.864%0.64227%0.267SS*.THydrogen-bonded Turntrans63.18.1179.9-51.5-36.8000116.4R337 E338N335-R337 PolarHBondContact O-N 3.34Å; N335-E338 PolarHBondContact O-N 3.23Å
336W95.2Very high93.4Very high9 Ų955.3 Ų55.33%0.03428%0.277CS..G310 helixtrans-51.6-30.4-179.873.7-85.8000114.5G324 D329 A332 P333 P334 E338 G339 M340 R387 T391 F436G324-W336 WeakPolarHBondContact O-CH2 3.28Å; D329-W336 WeakPolarHBondContact OD1-CZ2 3.46Å; D329-W336 PolarHBondContact OD1-NE1 3.31Å; A332-W336 HydrophobicContact CB-CB 3.66Å; A332-W336 VanDerWaalsContact CB-CD1 3.45Å; A332-W336 HydrophobicContact CB-CD2 3.57Å; A332-W336 HydrophobicContact CB-CE3 4.21Å; A332-W336 HydrophobicContact CB-CG 3.27Å; P333-W336 HydrophobicContact CG-CB 4.42Å; P333-W336 VanDerWaalsContact O-CB 3.29Å; P333-W336 WeakPolarHBondContact O-CB 3.47Å; P333-W336 VanDerWaalsContact O-CD1 3.27Å; P333-W336 PolarHBondContact O-N 3.33Å; P334-W336 PolarHBondContact O-N 3.48Å; P334-W336 VanDerWaalsContact O-N 3.16Å; W336-E338 PolarHBondContact O-N 2.99Å; W336-G339 CarbonylContact O-C 3.55Å; W336-G339 PolarHBondContact O-N 3.35Å; W336-M340 HydrophobicContact CB-CG 4.04Å; W336-M340 HydrophobicContact CB-SD 4.14Å; W336-R387 HydrophobicContact CE3-CG 3.67Å; W336-R387 HydrophobicContact CZ3-CG 3.84Å; W336-R387 WeakPolarHBondContact O-CD 3.32Å; W336-R387 WeakPolarHBondContact O-CG 3.47Å; W336-T391 HydrophobicContact CE3-CG2 4.46Å; W336-T391 HydrophobicContact CH2-CG2 4.12Å; W336-T391 HydrophobicContact CZ3-CG2 3.53Å; W336-F436 HydrophobicContact CH2-CE2 4.18Å; W336-F436 HydrophobicContact CH2-CZ 4.06Å; W336-F436 HydrophobicContact CZ3-CE2 4.13Å; W336-F436 HydrophobicContact CZ3-CZ 4.05Å
337R94.8Very high93.2Very high102 Ų10258.7 Ų58.739%0.38529%0.294SS..G310 helixtrans-60.5-29.4-179.3-57.7179.8-172.3169.82.5112.8F325 D329 N335 G339 R387 F436F325-R337 VanDerWaalsContact CE2-CZ 3.48Å; D329-R337 IonicContact OD1-CZ 3.92Å; D329-R337 IonicContact OD1-NE 2.81Å; D329-R337 PolarHBondContact OD1-NE 3.47Å; D329-R337 IonicContact OD1-NH2 3.79Å; D329-R337 PolarHBondContact OD1-NH2 3.02Å; D329-R337 IonicContact OD2-CZ 3.85Å; D329-R337 IonicContact OD2-NE 2.84Å; D329-R337 IonicContact OD2-NH2 3.45Å; D329-R337 PolarHBondContact OD2-NH2 3.37Å; N335-R337 PolarHBondContact O-N 3.34Å; R337-G339 VanDerWaalsContact C-N 3.25Å; R337-G339 PolarHBondContact O-N 2.66Å; R337-R387 PolarHBondContact O-NH1 3.31Å; R337-F436 HydrophobicContact CB-CE1 4.32Å; R337-F436 HydrophobicContact CB-CZ 4.41Å
338E95.2Very high93Very high145 Ų14559.6 Ų59.668%0.67830%0.298SS*.G310 helixtrans-80.1-6.7177.6-59.9-171.3172.200113.2N335 W336 I384N335-E338 PolarHBondContact O-N 3.23Å; W336-E338 PolarHBondContact O-N 2.99Å; E338-I384 VanDerWaalsContact O-CD1 3.3Å; E338-I384 WeakPolarHBondContact O-CD1 3.31Å
339G96.6Very high92.8Very high1 Ų159.7 Ų59.71%0.0130%0.299CS..  trans121.9154.9-174.100000111.6W336 R337 R383W336-G339 CarbonylContact O-C 3.55Å; W336-G339 PolarHBondContact O-N 3.35Å; R337-G339 VanDerWaalsContact C-N 3.25Å; R337-G339 PolarHBondContact O-N 2.66Å; G339-R383 CarbonylContact C-O 3.54Å; G339-R383 VanDerWaalsContact CA-O 3.26Å; G339-R383 WeakPolarHBondContact CA-O 3.41Å; G339-R383 PolarHBondContact O-NH2 3.47Å; G339-R383 VanDerWaalsContact O-NH2 3.15Å
340M97.8Very high92.4Very high0 Ų060.1 Ų60.10%030%0.304CS..  trans-120.5138.1179.9-66.1178.369.400111P333 W336 Q344 V345 M348 R383 N386 R387 Y390P333-M340 HydrophobicContact CG-CE 3.95Å; W336-M340 HydrophobicContact CB-CG 4.04Å; W336-M340 HydrophobicContact CB-SD 4.14Å; M340-Q344 HydrophobicContact CE-CB 4.16Å; M340-V345 HydrophobicContact CB-CG2 3.88Å; M340-V345 HydrophobicContact CE-CG2 3.92Å; M340-V345 HydrophobicContact SD-CG2 4.33Å; M340-M348 HydrophobicContact CE-CG 4.34Å; M340-R383 PolarHBondContact N-O 2.75Å; M340-R383 VanDerWaalsContact O-CA 3.22Å; M340-R383 WeakPolarHBondContact O-CA 3.34Å; M340-N386 HydrophobicContact CB-CB 4.34Å; M340-N386 WeakPolarHBondContact O-CB 3.49Å; M340-N386 PolarHBondContact O-ND2 3.48Å; M340-R387 HydrophobicContact CG-CB 4.24Å; M340-Y390 HydrophobicContact CE-CD1 3.89Å; M340-Y390 HydrophobicContact CE-CE1 4.27Å; M340-Y390 HydrophobicContact CE-CG 4.06Å; M340-Y390 HydrophobicContact SD-CD1 3.56Å; M340-Y390 VanDerWaalsContact SD-CD1 3.56Å; M340-Y390 HydrophobicContact SD-CE1 4.35Å; M340-Y390 HydrophobicContact SD-CG 3.91Å
341D96.4Very high92.1Very high72 Ų7258.1 Ų58.139%0.38530%0.296SS..  trans-71.8153.3167.8-60.2-40.5000109.9E343 Q344 V345 R383D341-E343 PolarHBondContact O-N 3.31Å; D341-Q344 HydrophobicContact CB-CG 4.2Å; D341-Q344 WeakPolarHBondContact O-CB 3.3Å; D341-Q344 PolarHBondContact O-N 3.09Å; D341-Q344 VanDerWaalsContact O-N 3.09Å; D341-V345 PolarHBondContact O-N 3.22Å; D341-V345 VanDerWaalsContact O-N 3.14Å; D341-R383 WeakPolarHBondContact OD1-CD 3.19Å; D341-R383 VanDerWaalsContact OD1-CG 3.32Å; D341-R383 WeakPolarHBondContact OD1-CG 3.47Å; D341-R383 IonicContact OD1-CZ 4Å; D341-R383 IonicContact OD1-NE 3.81Å; D341-R383 PolarHBondContact OD1-NE 2.87Å; D341-R383 IonicContact OD2-NE 2.7Å
342R94.1Very high91.8Very high56 Ų5655.4 Ų55.421%0.21128%0.284CS..Hα-helixtrans-55.1-42.6179.8-174.7-170.2175.884.7-1.4111.1Q344 V345 V346 D370 V373 T374 V377 G378 S379 N386R342-Q344 VanDerWaalsContact C-N 3.33Å; R342-Q344 PolarHBondContact O-N 3.03Å; R342-V345 WeakPolarHBondContact O-CB 3.34Å; R342-V345 PolarHBondContact O-N 2.94Å; R342-V345 VanDerWaalsContact O-N 3.07Å; R342-V346 HydrophobicContact CG-CG2 4.34Å; R342-V346 WeakPolarHBondContact O-CG2 3.27Å; R342-V346 PolarHBondContact O-N 3.47Å; R342-D370 IonicContact CZ-OD1 3.8Å; R342-D370 IonicContact NH2-OD1 2.87Å; R342-D370 PolarHBondContact NH2-OD1 2.98Å; R342-V373 HydrophobicContact CG-CG1 4.2Å; R342-T374 PolarHBondContact NH2-OG1 2.88Å; R342-V377 HydrophobicContact CG-CG2 4.44Å; R342-G378 PolarHBondContact NH1-O 2.73Å; R342-S379 PolarHBondContact NH1-O 3.48Å; R342-N386 PolarHBondContact N-ND2 2.72Å
343E92.8Very high91.1Very high146 Ų14654.9 Ų54.968%0.68228%0.279SS*.Hα-helixtrans-57.9-44.4178.2-171.7174.7-169.800111.6D341 V345 V346 D347D341-E343 PolarHBondContact O-N 3.31Å; E343-V345 VanDerWaalsContact C-N 3.29Å; E343-V345 PolarHBondContact O-N 2.96Å; E343-V346 WeakPolarHBondContact O-CB 3.42Å; E343-V346 PolarHBondContact O-N 3.24Å; E343-V346 VanDerWaalsContact O-N 3.1Å; E343-D347 PolarHBondContact O-N 2.98Å
344Q94.3Very high90.3Very high56 Ų5654.1 Ų54.126%0.26227%0.274SS..Hα-helixtrans-60.1-39.8174.7-62.1179-52.100111.9M340 D341 R342 M348M340-Q344 HydrophobicContact CE-CB 4.16Å; D341-Q344 HydrophobicContact CB-CG 4.2Å; D341-Q344 WeakPolarHBondContact O-CB 3.3Å; D341-Q344 PolarHBondContact O-N 3.09Å; D341-Q344 VanDerWaalsContact O-N 3.09Å; R342-Q344 VanDerWaalsContact C-N 3.33Å; R342-Q344 PolarHBondContact O-N 3.03Å; Q344-M348 VanDerWaalsContact O-CG 3.27Å; Q344-M348 WeakPolarHBondContact O-CG 3.38Å; Q344-M348 PolarHBondContact O-N 2.85Å; Q344-M348 VanDerWaalsContact O-N 3.15Å
345V94.6Very high89.6Confident2 Ų250 Ų501%0.01225%0.246CC..Hα-helixtrans-66.9-42.1175.5-177.20000110.9M340 D341 R342 E343 D347 M348 V349 V373 V377 N386 Y390M340-V345 HydrophobicContact CB-CG2 3.88Å; M340-V345 HydrophobicContact CE-CG2 3.92Å; M340-V345 HydrophobicContact SD-CG2 4.33Å; D341-V345 PolarHBondContact O-N 3.22Å; D341-V345 VanDerWaalsContact O-N 3.14Å; R342-V345 WeakPolarHBondContact O-CB 3.34Å; R342-V345 PolarHBondContact O-N 2.94Å; R342-V345 VanDerWaalsContact O-N 3.07Å; E343-V345 VanDerWaalsContact C-N 3.29Å; E343-V345 PolarHBondContact O-N 2.96Å; V345-D347 PolarHBondContact O-N 3.47Å; V345-M348 PolarHBondContact O-N 3.49Å; V345-V349 HydrophobicContact CG1-CG2 4Å; V345-V349 WeakPolarHBondContact O-CB 3.4Å; V345-V349 VanDerWaalsContact O-CG2 3.26Å; V345-V349 WeakPolarHBondContact O-CG2 3.28Å; V345-V349 PolarHBondContact O-N 3.49Å; V345-V373 HydrophobicContact CG1-CG1 4.46Å; V345-V373 HydrophobicContact CG1-CG2 4.36Å; V345-V377 HydrophobicContact CG1-CG1 3.97Å; V345-V377 HydrophobicContact CG2-CG1 4.42Å; V345-N386 HydrophobicContact CG2-CB 4Å; V345-Y390 HydrophobicContact CG1-CD2 4.22Å
346V91.8Very high88.7Confident40 Ų4044.8 Ų44.824%0.24222%0.218CC..Hα-helixtrans-58.8-47.5176.7172.20000110.7R342 E343 M348 V349 S350 V373R342-V346 HydrophobicContact CG-CG2 4.34Å; R342-V346 WeakPolarHBondContact O-CG2 3.27Å; R342-V346 PolarHBondContact O-N 3.47Å; E343-V346 WeakPolarHBondContact O-CB 3.42Å; E343-V346 PolarHBondContact O-N 3.24Å; E343-V346 VanDerWaalsContact O-N 3.1Å; V346-M348 PolarHBondContact O-N 3.22Å; V346-V349 PolarHBondContact O-N 3.25Å; V346-S350 WeakPolarHBondContact O-CB 3.36Å; V346-S350 PolarHBondContact O-N 3.25Å; V346-S350 PolarHBondContact O-OG 3.39Å; V346-V373 HydrophobicContact CB-CG2 4.47Å; V346-V373 HydrophobicContact CG2-CB 4.33Å; V346-V373 HydrophobicContact CG2-CG1 3.87Å; V346-V373 HydrophobicContact CG2-CG2 3.93Å
347D89.3Confident87.7Confident88 Ų8846.1 Ų46.147%0.47123%0.225SC..Hα-helixtrans-60.8-46.8-179.9-69.1-18.4000111.5E343 V345 S350 M351E343-D347 PolarHBondContact O-N 2.98Å; V345-D347 PolarHBondContact O-N 3.47Å; D347-S350 PolarHBondContact O-N 2.92Å; D347-M351 PolarHBondContact O-N 3.5Å
348M90.3Very high86.4Confident34 Ų3444.5 Ų44.517%0.16722%0.221CC..Hα-helixtrans-68.8-43.9-179.2-64.9-56.894.800112.2M340 Q344 V345 V346 S350 M351 L352 Y390M340-M348 HydrophobicContact CE-CG 4.34Å; Q344-M348 VanDerWaalsContact O-CG 3.27Å; Q344-M348 WeakPolarHBondContact O-CG 3.38Å; Q344-M348 PolarHBondContact O-N 2.85Å; Q344-M348 VanDerWaalsContact O-N 3.15Å; V345-M348 PolarHBondContact O-N 3.49Å; V346-M348 PolarHBondContact O-N 3.22Å; M348-S350 VanDerWaalsContact C-N 3.29Å; M348-S350 PolarHBondContact O-N 3.06Å; M348-M351 HydrophobicContact CE-CE 3.84Å; M348-M351 PolarHBondContact O-N 3.08Å; M348-M351 HydrophobicContact SD-CE 4.01Å; M348-L352 WeakPolarHBondContact O-CB 3.14Å; M348-L352 VanDerWaalsContact O-CG 3.29Å; M348-L352 WeakPolarHBondContact O-CG 3.41Å; M348-L352 PolarHBondContact O-N 2.63Å; M348-L352 VanDerWaalsContact O-N 3.1Å; M348-Y390 HydrophobicContact CB-CD2 4.45Å; M348-Y390 HydrophobicContact CB-CE2 3.58Å; M348-Y390 HydrophobicContact CG-CE2 4.44Å
349V89.1Confident85Confident2 Ų238.8 Ų38.81%0.01220%0.196CC..Hα-helixtrans-61.9-41.7175.7169.90000109.9V345 V346 M351 L352 Y353 I372 V373 Y390 F393V345-V349 HydrophobicContact CG1-CG2 4Å; V345-V349 WeakPolarHBondContact O-CB 3.4Å; V345-V349 VanDerWaalsContact O-CG2 3.26Å; V345-V349 WeakPolarHBondContact O-CG2 3.28Å; V345-V349 PolarHBondContact O-N 3.49Å; V346-V349 PolarHBondContact O-N 3.25Å; V349-M351 VanDerWaalsContact C-N 3.3Å; V349-M351 PolarHBondContact O-N 3.15Å; V349-L352 PolarHBondContact O-N 3.47Å; V349-L352 VanDerWaalsContact O-N 3.09Å; V349-Y353 HydrophobicContact CG1-CD1 4.34Å; V349-Y353 WeakPolarHBondContact O-CB 3.15Å; V349-Y353 VanDerWaalsContact O-CD1 3.22Å; V349-Y353 WeakPolarHBondContact O-CD1 3.29Å; V349-Y353 PolarHBondContact O-N 2.95Å; V349-I372 HydrophobicContact CG1-CB 4.06Å; V349-I372 HydrophobicContact CG1-CD1 4.39Å; V349-I372 HydrophobicContact CG1-CG2 3.76Å; V349-V373 HydrophobicContact CB-CG2 3.98Å; V349-V373 HydrophobicContact CG1-CG2 4.11Å; V349-V373 HydrophobicContact CG2-CG2 4.07Å; V349-Y390 HydrophobicContact CG2-CD2 4.37Å; V349-F393 HydrophobicContact CG1-CE2 4.33Å; V349-F393 HydrophobicContact CG1-CZ 4.29Å; V349-F393 HydrophobicContact CG2-CD1 4.08Å; V349-F393 HydrophobicContact CG2-CE1 4.11Å; V349-F393 HydrophobicContact CG2-CG 4.31Å; V349-F393 HydrophobicContact CG2-CZ 4.35Å
350S83.3Confident83.2Confident35 Ų3541.3 Ų41.325%0.24521%0.211CC..Hα-helixtrans-63.7-35179.3-59.20000113V346 D347 M348 P354V346-S350 WeakPolarHBondContact O-CB 3.36Å; V346-S350 PolarHBondContact O-N 3.25Å; V346-S350 PolarHBondContact O-OG 3.39Å; D347-S350 PolarHBondContact O-N 2.92Å; M348-S350 VanDerWaalsContact C-N 3.29Å; M348-S350 PolarHBondContact O-N 3.06Å; S350-P354 VanDerWaalsContact O-CD 3.28Å; S350-P354 WeakPolarHBondContact O-CD 3.43Å
351M80.6Confident81.2Confident100 Ų10044.5 Ų44.549%0.49323%0.231SC..Hα-helixtrans-67.4-38172.4-171.7-147-62.400112.3D347 M348 V349D347-M351 PolarHBondContact O-N 3.5Å; M348-M351 HydrophobicContact CE-CE 3.84Å; M348-M351 PolarHBondContact O-N 3.08Å; M348-M351 HydrophobicContact SD-CE 4.01Å; V349-M351 VanDerWaalsContact C-N 3.3Å; V349-M351 PolarHBondContact O-N 3.15Å
352L82.6Confident79.2Confident4 Ų448.4 Ų48.42%0.02125%0.247CC..Hα-helixtrans-93.1-36-168.6-66.6175000114I232 F331 M348 V349 P354 L355 V356 Y390 F393 F398I232-L352 HydrophobicContact CD1-CD2 4.45Å; F331-L352 HydrophobicContact CB-CD1 4.47Å; F331-L352 HydrophobicContact CD1-CD2 3.9Å; F331-L352 HydrophobicContact CE1-CD2 4.21Å; M348-L352 WeakPolarHBondContact O-CB 3.14Å; M348-L352 VanDerWaalsContact O-CG 3.29Å; M348-L352 WeakPolarHBondContact O-CG 3.41Å; M348-L352 PolarHBondContact O-N 2.63Å; M348-L352 VanDerWaalsContact O-N 3.1Å; V349-L352 PolarHBondContact O-N 3.47Å; V349-L352 VanDerWaalsContact O-N 3.09Å; L352-P354 VanDerWaalsContact C-CD 3.42Å; L352-L355 HydrophobicContact CD2-CD1 4.4Å; L352-L355 WeakPolarHBondContact O-CB 3.43Å; L352-L355 PolarHBondContact O-N 2.76Å; L352-L355 VanDerWaalsContact O-N 3.11Å; L352-V356 PolarHBondContact O-N 3.38Å; L352-Y390 HydrophobicContact CD1-CE2 4.44Å; L352-F393 HydrophobicContact CB-CE1 4.23Å; L352-F393 HydrophobicContact CB-CZ 4.4Å; L352-F393 HydrophobicContact CD1-CE1 4.15Å; L352-F398 HydrophobicContact CD1-CZ 4.22Å; L352-F398 HydrophobicContact CD2-CZ 4.27Å
353Y78.5Confident77.3Confident4 Ų446.8 Ų46.82%0.01625%0.245CC..Hα-helixtrans-60.4-36.4-172.283.9-107.4000114.4V349 L355 V356 L357 L359 Q364 D365 I368 I372V349-Y353 HydrophobicContact CG1-CD1 4.34Å; V349-Y353 WeakPolarHBondContact O-CB 3.15Å; V349-Y353 VanDerWaalsContact O-CD1 3.22Å; V349-Y353 WeakPolarHBondContact O-CD1 3.29Å; V349-Y353 PolarHBondContact O-N 2.95Å; Y353-L355 PolarHBondContact O-N 3.25Å; Y353-V356 WeakPolarHBondContact O-CG2 3.45Å; Y353-V356 PolarHBondContact O-N 3.38Å; Y353-L357 HydrophobicContact CD2-CD1 4.1Å; Y353-L357 WeakPolarHBondContact O-CB 3.41Å; Y353-L357 WeakPolarHBondContact O-CG 3.37Å; Y353-L357 PolarHBondContact O-N 3.46Å; Y353-L359 HydrophobicContact CD2-CD1 4.14Å; Y353-L359 HydrophobicContact CE2-CD1 3.97Å; Y353-Q364 WeakPolarHBondContact OH-CA 3.44Å; Y353-D365 PolarHBondContact OH-N 2.89Å; Y353-I368 HydrophobicContact CD2-CG2 4.24Å; Y353-I368 HydrophobicContact CE2-CG2 4.1Å; Y353-I372 HydrophobicContact CG-CD1 4.19Å
354P75.9Confident75.7Confident9 Ų944.8 Ų44.86%0.05824%0.236CC..Hα-helixtrans-58.9-33.6178.6-25.836.2000111.9S350 L352 F358 L359 Q364S350-P354 VanDerWaalsContact O-CD 3.28Å; S350-P354 WeakPolarHBondContact O-CD 3.43Å; L352-P354 VanDerWaalsContact C-CD 3.42Å; P354-F358 WeakPolarHBondContact O-CA 3.27Å; P354-F358 PolarHBondContact O-N 3.19Å; P354-L359 PolarHBondContact O-N 3.04Å; P354-Q364 HydrophobicContact CG-CG 4.09Å
355L75.4Confident74.5Confident26 Ų2644.7 Ų44.714%0.13624%0.237CC..Hα-helixtrans-74.3-35.7-178.7-47.6174.1000112.7I232 R286 L352 Y353I232-L355 HydrophobicContact CD1-CD1 4.45Å; I232-L355 HydrophobicContact CG1-CB 4.32Å; I232-L355 HydrophobicContact CG1-CD1 4.39Å; R286-L355 VanDerWaalsContact NH2-CD1 3.26Å; L352-L355 HydrophobicContact CD2-CD1 4.4Å; L352-L355 WeakPolarHBondContact O-CB 3.43Å; L352-L355 PolarHBondContact O-N 2.76Å; L352-L355 VanDerWaalsContact O-N 3.11Å; Y353-L355 PolarHBondContact O-N 3.25Å
356V74.9Confident73.6Confident9 Ų948.5 Ų48.56%0.05527%0.269CS..Hα-helixtrans-92.1-8.4-179-66.70000113.6I232 L352 Y353 F397 F398I232-V356 HydrophobicContact CB-CG1 3.98Å; L352-V356 PolarHBondContact O-N 3.38Å; Y353-V356 WeakPolarHBondContact O-CG2 3.45Å; Y353-V356 PolarHBondContact O-N 3.38Å; V356-F397 HydrophobicContact CB-CD1 4.07Å; V356-F397 HydrophobicContact CG2-CB 4.45Å; V356-F397 HydrophobicContact CG2-CD1 3.6Å; V356-F397 HydrophobicContact CG2-CE1 4.21Å; V356-F397 HydrophobicContact CG2-CG 4.32Å; V356-F398 HydrophobicContact CG1-CD1 3.72Å; V356-F398 HydrophobicContact CG1-CE1 3.46Å; V356-F398 VanDerWaalsContact CG1-CE1 3.46Å
357L73.2Confident73.1Confident37 Ų3748.4 Ų48.419%0.19427%0.273CS..Hα-helixtrans-114.7-1.5177-64.7179.6000113.5Y353 L359 I372 F397 L531 I535Y353-L357 HydrophobicContact CD2-CD1 4.1Å; Y353-L357 WeakPolarHBondContact O-CB 3.41Å; Y353-L357 WeakPolarHBondContact O-CG 3.37Å; Y353-L357 PolarHBondContact O-N 3.46Å; L357-L359 HydrophobicContact CB-CD1 3.99Å; L357-L359 HydrophobicContact CB-CG 3.81Å; L357-L359 HydrophobicContact CD1-CD1 4.01Å; L357-L359 PolarHBondContact O-N 2.97Å; L357-I372 HydrophobicContact CD1-CD1 4.27Å; L357-F397 HydrophobicContact CD2-CE1 4Å; L357-F397 HydrophobicContact CG-CE1 4.47Å; L357-L531 HydrophobicContact CD1-CD2 4.06Å; L357-L531 HydrophobicContact CD2-CD2 4.16Å; L357-I535 HydrophobicContact CD1-CD1 3.94Å
358F68.8Low72.7Confident68 Ų6844.3 Ų44.330%0.29825%0.251SS..THydrogen-bonded Turntrans48.938.7-172.7-61.2-68.3000113.2D231 M234 P354D231-F358 HydrophobicContact CB-CD2 4.17Å; D231-F358 HydrophobicContact CB-CE1 4.27Å; D231-F358 HydrophobicContact CB-CE2 3.39Å; D231-F358 HydrophobicContact CB-CZ 3.44Å; D231-F358 VanDerWaalsContact CB-CZ 3.44Å; D231-F358 WeakPolarHBondContact OD1-CE2 3.17Å; M234-F358 HydrophobicContact CB-CZ 4.29Å; P354-F358 WeakPolarHBondContact O-CA 3.27Å; P354-F358 PolarHBondContact O-N 3.19Å
359L64.1Low72.3Confident26 Ų2642.7 Ų42.714%0.13624%0.243CC..  trans-86.1135176.3-66.2175.6000109.1Y353 P354 L357 A363 I368 I535Y353-L359 HydrophobicContact CD2-CD1 4.14Å; Y353-L359 HydrophobicContact CE2-CD1 3.97Å; P354-L359 PolarHBondContact O-N 3.04Å; L357-L359 HydrophobicContact CB-CD1 3.99Å; L357-L359 HydrophobicContact CB-CG 3.81Å; L357-L359 HydrophobicContact CD1-CD1 4.01Å; L357-L359 PolarHBondContact O-N 2.97Å; L359-A363 HydrophobicContact CB-CB 4.44Å; L359-I368 HydrophobicContact CD1-CD1 4.09Å; L359-I535 HydrophobicContact CD1-CD1 4.24Å; L359-I535 HydrophobicContact CD2-CG2 4.35Å
360P59.5Low72.2Confident53 Ų5346.1 Ų46.134%0.34426%0.261SS..  trans-59.4148.8173.423.3-29.4000109.9E362 A363P360-E362 WeakPolarHBondContact CB-OE2 3.36Å; P360-E362 PolarHBondContact O-N 3.02Å; P360-E362 VanDerWaalsContact O-N 3.11Å; P360-A363 HydrophobicContact CG-CB 3.75Å; P360-A363 WeakPolarHBondContact O-CA 3.49Å; P360-A363 WeakPolarHBondContact O-CB 2.92Å; P360-A363 PolarHBondContact O-N 2.96Å
361V55.3Low72.4Confident68 Ų6845.8 Ų45.841%0.41226%0.256SS..G310 helixtrans-55.8-31.4-179.4174.80000111.3A363 Q364V361-A363 VanDerWaalsContact C-N 3.28Å; V361-A363 PolarHBondContact O-N 2.92Å; V361-Q364 VanDerWaalsContact O-CB 3.22Å; V361-Q364 WeakPolarHBondContact O-CB 3.45Å; V361-Q364 WeakPolarHBondContact O-CG 3.15Å; V361-Q364 PolarHBondContact O-N 3.1Å; V361-Q364 VanDerWaalsContact O-N 3.17Å
362E53.8Low72.9Confident154 Ų15441 Ų4172%0.7223%0.233SC*.G310 helixtrans-73.7-17.5177.2-55.479.2-173.100113.4P360P360-E362 WeakPolarHBondContact CB-OE2 3.36Å; P360-E362 PolarHBondContact O-N 3.02Å; P360-E362 VanDerWaalsContact O-N 3.11Å
363A54.2Low73.4Confident21 Ų2140.9 Ų40.917%0.17423%0.232CC..G310 helixtrans-87.813.7170.400000112.4L359 P360 V361 D365L359-A363 HydrophobicContact CB-CB 4.44Å; P360-A363 HydrophobicContact CG-CB 3.75Å; P360-A363 WeakPolarHBondContact O-CA 3.49Å; P360-A363 WeakPolarHBondContact O-CB 2.92Å; P360-A363 PolarHBondContact O-N 2.96Å; V361-A363 VanDerWaalsContact C-N 3.28Å; V361-A363 PolarHBondContact O-N 2.92Å; A363-D365 VanDerWaalsContact C-N 3.31Å; A363-D365 PolarHBondContact O-N 2.89Å
364Q59.7Low74.1Confident105 Ų10543.6 Ų43.649%0.49125%0.249SC..  trans-66.692170.5-77.5178.718.500110.5Y353 P354 V361Y353-Q364 WeakPolarHBondContact OH-CA 3.44Å; P354-Q364 HydrophobicContact CG-CG 4.09Å; V361-Q364 VanDerWaalsContact O-CB 3.22Å; V361-Q364 WeakPolarHBondContact O-CB 3.45Å; V361-Q364 WeakPolarHBondContact O-CG 3.15Å; V361-Q364 PolarHBondContact O-N 3.1Å; V361-Q364 VanDerWaalsContact O-N 3.17Å
365D69.3Low74.9Confident53 Ų5345.5 Ų45.528%0.28326%0.26SS..  trans-101.3123.1173.8-174.8-11.5000108.9Y353 A363 A367 I368 G369Y353-D365 PolarHBondContact OH-N 2.89Å; A363-D365 VanDerWaalsContact C-N 3.31Å; A363-D365 PolarHBondContact O-N 2.89Å; D365-A367 PolarHBondContact O-N 3.03Å; D365-A367 VanDerWaalsContact O-N 3.09Å; D365-A367 VanDerWaalsContact OD1-CB 3.24Å; D365-A367 WeakPolarHBondContact OD1-CB 3.48Å; D365-A367 PolarHBondContact OD1-N 3.43Å; D365-I368 HydrophobicContact CB-CD1 3.93Å; D365-I368 HydrophobicContact CB-CG1 4Å; D365-I368 WeakPolarHBondContact O-CB 3.32Å; D365-I368 PolarHBondContact O-N 2.93Å; D365-G369 PolarHBondContact O-N 3.28Å
366A76.4Confident75.8Confident82 Ų8244.8 Ų44.868%0.67826%0.256SS*.Hα-helixtrans-54.2-28.1174.900000112I368 G369 D370A366-I368 VanDerWaalsContact C-N 3.34Å; A366-I368 PolarHBondContact O-N 2.93Å; A366-G369 PolarHBondContact O-N 2.85Å; A366-D370 WeakPolarHBondContact O-CB 3.21Å; A366-D370 PolarHBondContact O-N 3.06Å
367A80.3Confident76.8Confident39 Ų3944.4 Ų44.432%0.32225%0.254SS..Hα-helixtrans-65.8-32.917500000113.1D365 L371 L538D365-A367 PolarHBondContact O-N 3.03Å; D365-A367 VanDerWaalsContact O-N 3.09Å; D365-A367 VanDerWaalsContact OD1-CB 3.24Å; D365-A367 WeakPolarHBondContact OD1-CB 3.48Å; D365-A367 PolarHBondContact OD1-N 3.43Å; A367-L371 VanDerWaalsContact O-CB 3.22Å; A367-L371 WeakPolarHBondContact O-CB 3.09Å; A367-L371 PolarHBondContact O-N 3.26Å; A367-L538 HydrophobicContact CB-CD1 3.99Å; A367-L538 HydrophobicContact CB-CD2 4.2Å
368I80.8Confident77.7Confident2 Ų244 Ų441%0.0126%0.259CS..Hα-helixtrans-70.4-47.1176.1-61.1172.2000109.7Y353 L359 D365 A366 L371 I372 I535 L538Y353-I368 HydrophobicContact CD2-CG2 4.24Å; Y353-I368 HydrophobicContact CE2-CG2 4.1Å; L359-I368 HydrophobicContact CD1-CD1 4.09Å; D365-I368 HydrophobicContact CB-CD1 3.93Å; D365-I368 HydrophobicContact CB-CG1 4Å; D365-I368 WeakPolarHBondContact O-CB 3.32Å; D365-I368 PolarHBondContact O-N 2.93Å; A366-I368 VanDerWaalsContact C-N 3.34Å; A366-I368 PolarHBondContact O-N 2.93Å; I368-L371 WeakPolarHBondContact O-CB 3.16Å; I368-L371 PolarHBondContact O-N 2.77Å; I368-I372 HydrophobicContact CG2-CD1 4.26Å; I368-I372 WeakPolarHBondContact O-CG1 3.37Å; I368-I372 PolarHBondContact O-N 3.35Å; I368-I372 VanDerWaalsContact O-N 3.1Å; I368-I535 HydrophobicContact CD1-CB 4.44Å; I368-I535 HydrophobicContact CD1-CG1 3.95Å; I368-I535 HydrophobicContact CD1-CG2 3.92Å; I368-I535 HydrophobicContact CG1-CG1 3.96Å; I368-I535 HydrophobicContact CG2-CD1 4.08Å; I368-I535 HydrophobicContact CG2-CG1 4.01Å; I368-L538 HydrophobicContact CG1-CD1 4.04Å
369G83Confident78.6Confident0 Ų044.9 Ų44.90%027%0.273CS..Hα-helixtrans-57.5-49.4175.200000111.8D365 A366 L371 I372 V373D365-G369 PolarHBondContact O-N 3.28Å; A366-G369 PolarHBondContact O-N 2.85Å; G369-L371 VanDerWaalsContact C-N 3.34Å; G369-L371 PolarHBondContact O-N 2.87Å; G369-I372 PolarHBondContact O-N 3.35Å; G369-V373 WeakPolarHBondContact O-CB 3.41Å; G369-V373 WeakPolarHBondContact O-CG2 3.49Å; G369-V373 PolarHBondContact O-N 3.13Å
370D85.8Confident79.9Confident74 Ų7444.1 Ų44.140%0.39627%0.272SS..Hα-helixtrans-64.6-35.9179.3-172.471000112.7R342 A366 I372 V373 T374R342-D370 IonicContact CZ-OD1 3.8Å; R342-D370 IonicContact NH2-OD1 2.87Å; R342-D370 PolarHBondContact NH2-OD1 2.98Å; A366-D370 WeakPolarHBondContact O-CB 3.21Å; A366-D370 PolarHBondContact O-N 3.06Å; D370-I372 PolarHBondContact O-N 3.15Å; D370-V373 PolarHBondContact O-N 2.9Å; D370-T374 WeakPolarHBondContact O-CB 3.47Å; D370-T374 PolarHBondContact O-N 3.37Å; D370-T374 PolarHBondContact O-OG1 2.87Å; D370-T374 PolarHBondContact OD2-OG1 3.32Å
371L87.9Confident81.6Confident28 Ų2849.8 Ų49.815%0.14729%0.294CS..Hα-helixtrans-60.5-45.5174.2171.764.5000111.8A367 I368 G369 T375 L531 K534A367-L371 VanDerWaalsContact O-CB 3.22Å; A367-L371 WeakPolarHBondContact O-CB 3.09Å; A367-L371 PolarHBondContact O-N 3.26Å; I368-L371 WeakPolarHBondContact O-CB 3.16Å; I368-L371 PolarHBondContact O-N 2.77Å; G369-L371 VanDerWaalsContact C-N 3.34Å; G369-L371 PolarHBondContact O-N 2.87Å; L371-T375 WeakPolarHBondContact O-CB 3.43Å; L371-T375 PolarHBondContact O-N 2.77Å; L371-T375 PolarHBondContact O-OG1 2.88Å; L371-L531 HydrophobicContact CD2-CD1 3.61Å; L371-L531 HydrophobicContact CG-CD1 4.24Å; L371-K534 HydrophobicContact CD1-CD 3.63Å; L371-K534 HydrophobicContact CD2-CB 3.65Å; L371-K534 HydrophobicContact CD2-CD 3.46Å; L371-K534 VanDerWaalsContact CD2-CD 3.46Å; L371-K534 HydrophobicContact CD2-CG 4.22Å; L371-K534 HydrophobicContact CG-CD 4.19Å
372I91.4Very high83.6Confident0 Ų050.9 Ų50.90%030%0.297CS..Hα-helixtrans-64.6-53.5176.9-64.4168.2000109.1V349 Y353 L357 I368 G369 D370 T374 T375 Y376 F393 L531V349-I372 HydrophobicContact CG1-CB 4.06Å; V349-I372 HydrophobicContact CG1-CD1 4.39Å; V349-I372 HydrophobicContact CG1-CG2 3.76Å; Y353-I372 HydrophobicContact CG-CD1 4.19Å; L357-I372 HydrophobicContact CD1-CD1 4.27Å; I368-I372 HydrophobicContact CG2-CD1 4.26Å; I368-I372 WeakPolarHBondContact O-CG1 3.37Å; I368-I372 PolarHBondContact O-N 3.35Å; I368-I372 VanDerWaalsContact O-N 3.1Å; G369-I372 PolarHBondContact O-N 3.35Å; D370-I372 PolarHBondContact O-N 3.15Å; I372-T374 PolarHBondContact O-N 3.35Å; I372-T375 WeakPolarHBondContact O-CB 3.3Å; I372-T375 PolarHBondContact O-N 2.55Å; I372-Y376 HydrophobicContact CG2-CD2 4.11Å; I372-Y376 HydrophobicContact CG2-CE2 4.28Å; I372-Y376 WeakPolarHBondContact O-CD2 3.06Å; I372-Y376 PolarHBondContact O-N 2.99Å; I372-F393 HydrophobicContact CG2-CD2 3.65Å; I372-F393 HydrophobicContact CG2-CE2 3.7Å; I372-L531 HydrophobicContact CD1-CD1 4.48Å; I372-L531 HydrophobicContact CD1-CD2 4.11Å; I372-L531 HydrophobicContact CG1-CD1 3.97Å; I372-L531 HydrophobicContact CG1-CD2 3.97Å
373V93Very high85.7Confident1 Ų148.5 Ų48.51%0.00628%0.282CS..Hα-helixtrans-55.7-51.5-178.3171.20000110.5R342 V345 V346 V349 G369 D370 T375 Y376 V377R342-V373 HydrophobicContact CG-CG1 4.2Å; V345-V373 HydrophobicContact CG1-CG1 4.46Å; V345-V373 HydrophobicContact CG1-CG2 4.36Å; V346-V373 HydrophobicContact CB-CG2 4.47Å; V346-V373 HydrophobicContact CG2-CB 4.33Å; V346-V373 HydrophobicContact CG2-CG1 3.87Å; V346-V373 HydrophobicContact CG2-CG2 3.93Å; V349-V373 HydrophobicContact CB-CG2 3.98Å; V349-V373 HydrophobicContact CG1-CG2 4.11Å; V349-V373 HydrophobicContact CG2-CG2 4.07Å; G369-V373 WeakPolarHBondContact O-CB 3.41Å; G369-V373 WeakPolarHBondContact O-CG2 3.49Å; G369-V373 PolarHBondContact O-N 3.13Å; D370-V373 PolarHBondContact O-N 2.9Å; V373-T375 PolarHBondContact O-N 3.49Å; V373-T375 VanDerWaalsContact O-N 3.17Å; V373-Y376 PolarHBondContact O-N 2.91Å; V373-V377 HydrophobicContact CG1-CG2 3.47Å; V373-V377 VanDerWaalsContact CG1-CG2 3.47Å; V373-V377 VanDerWaalsContact O-CG2 3.28Å; V373-V377 WeakPolarHBondContact O-CG2 3.4Å; V373-V377 PolarHBondContact O-N 2.96Å
374T92.6Very high87.7Confident61 Ų6151 Ų5137%0.37429%0.291SS..Hα-helixtrans-57.1-34.9178.5-64.50000112.5R342 D370 I372 G378R342-T374 PolarHBondContact NH2-OG1 2.88Å; D370-T374 WeakPolarHBondContact O-CB 3.47Å; D370-T374 PolarHBondContact O-N 3.37Å; D370-T374 PolarHBondContact O-OG1 2.87Å; D370-T374 PolarHBondContact OD2-OG1 3.32Å; I372-T374 PolarHBondContact O-N 3.35Å; T374-G378 VanDerWaalsContact O-CA 3.31Å; T374-G378 WeakPolarHBondContact O-CA 3.39Å; T374-G378 PolarHBondContact O-N 3.29Å
375T93.4Very high89.5Confident48 Ų4853.6 Ų53.629%0.29430%0.297SS..Hα-helixtrans-69.4-31.6177.9-59.10000113.2L371 I372 V373 R523 F526L371-T375 WeakPolarHBondContact O-CB 3.43Å; L371-T375 PolarHBondContact O-N 2.77Å; L371-T375 PolarHBondContact O-OG1 2.88Å; I372-T375 WeakPolarHBondContact O-CB 3.3Å; I372-T375 PolarHBondContact O-N 2.55Å; V373-T375 PolarHBondContact O-N 3.49Å; V373-T375 VanDerWaalsContact O-N 3.17Å; T375-R523 PolarHBondContact O-NH1 3.01Å; T375-F526 HydrophobicContact CG2-CD1 4.11Å; T375-F526 HydrophobicContact CG2-CD2 4.01Å; T375-F526 HydrophobicContact CG2-CE1 3.88Å; T375-F526 HydrophobicContact CG2-CE2 3.77Å; T375-F526 HydrophobicContact CG2-CG 4.17Å; T375-F526 HydrophobicContact CG2-CZ 3.7Å; T375-F526 WeakPolarHBondContact OG1-CE2 3.35Å; T375-F526 WeakPolarHBondContact OG1-CZ 3.47Å
376Y95.1Very high90.9Very high11 Ų1151.1 Ų51.14%0.04328%0.283CS..Hα-helixtrans-96-38.5-179-78.1-89.2000113.1I372 V373 G389 E392 F393 D396 F397 F526I372-Y376 HydrophobicContact CG2-CD2 4.11Å; I372-Y376 HydrophobicContact CG2-CE2 4.28Å; I372-Y376 WeakPolarHBondContact O-CD2 3.06Å; I372-Y376 PolarHBondContact O-N 2.99Å; V373-Y376 PolarHBondContact O-N 2.91Å; Y376-G389 WeakPolarHBondContact CD1-O 3.48Å; Y376-E392 HydrophobicContact CD1-CB 3.78Å; Y376-E392 HydrophobicContact CE1-CB 3.92Å; Y376-F393 HydrophobicContact CD1-CB 3.97Å; Y376-F393 HydrophobicContact CD2-CB 4.23Å; Y376-F393 HydrophobicContact CD2-CD2 4.44Å; Y376-F393 VanDerWaalsContact CE1-CA 3.48Å; Y376-F393 HydrophobicContact CE1-CB 4.07Å; Y376-F393 HydrophobicContact CE2-CB 4.34Å; Y376-F393 HydrophobicContact CE2-CD2 4.18Å; Y376-F393 HydrophobicContact CG-CB 4.05Å; Y376-D396 HydrophobicContact CE1-CB 4.45Å; Y376-D396 WeakPolarHBondContact OH-CB 3.4Å; Y376-D396 PolarHBondContact OH-OD2 3.19Å; Y376-F397 AromaticContact CE2-CE2 3.9Å; Y376-F397 HydrophobicContact CE2-CE2 3.9Å; Y376-F526 HydrophobicContact CE2-CE1 4.13Å
377V94.8Very high91.9Very high2 Ų248 Ų481%0.01225%0.254CS..Hα-helixtrans-110.5-9.8-172.9-48.40000114.6R342 V345 V373 S379 G380 N386R342-V377 HydrophobicContact CG-CG2 4.44Å; V345-V377 HydrophobicContact CG1-CG1 3.97Å; V345-V377 HydrophobicContact CG2-CG1 4.42Å; V373-V377 HydrophobicContact CG1-CG2 3.47Å; V373-V377 VanDerWaalsContact CG1-CG2 3.47Å; V373-V377 VanDerWaalsContact O-CG2 3.28Å; V373-V377 WeakPolarHBondContact O-CG2 3.4Å; V373-V377 PolarHBondContact O-N 2.96Å; V377-S379 PolarHBondContact O-N 3.43Å; V377-G380 PolarHBondContact O-N 3.3Å; V377-N386 HydrophobicContact CG1-CB 4.35Å
378G91.9Very high92.7Very high29 Ų2948.7 Ų48.730%0.29925%0.252SS..THydrogen-bonded Turntrans68-127-178.900000112.2R342 T374 G380R342-G378 PolarHBondContact NH1-O 2.73Å; T374-G378 VanDerWaalsContact O-CA 3.31Å; T374-G378 WeakPolarHBondContact O-CA 3.39Å; T374-G378 PolarHBondContact O-N 3.29Å; G378-G380 VanDerWaalsContact C-N 3.28Å; G378-G380 PolarHBondContact O-N 3.23Å
379S88.7Confident93.5Very high85 Ų8548.7 Ų48.759%0.59425%0.253SS*.THydrogen-bonded Turntrans-69.1-24178.461.10000113.4R342 V377R342-S379 PolarHBondContact NH1-O 3.48Å; V377-S379 PolarHBondContact O-N 3.43Å
380G91.9Very high94.2Very high10 Ų1048.8 Ų48.810%0.10325%0.253CS..  trans835.6-177.700000115.5V377 G378 N382 N386V377-G380 PolarHBondContact O-N 3.3Å; G378-G380 VanDerWaalsContact C-N 3.28Å; G378-G380 PolarHBondContact O-N 3.23Å; G380-N382 PolarHBondContact O-N 3.41Å; G380-N386 VanDerWaalsContact CA-OD1 3.23Å; G380-N386 WeakPolarHBondContact CA-OD1 3.44Å; G380-N386 PolarHBondContact O-ND2 3.26Å
381E94.1Very high94.7Very high173 Ų17345.3 Ų45.381%0.80824%0.235SC*.  trans-73.4-25-174.6-68.2177.3171.700113.9
382N97Very high95.2Very high90 Ų9047.3 Ų47.348%0.48124%0.243SC..  trans-105.4111.1-177.1-177.1-40.5000110.6G380 I384 R385 N386G380-N382 PolarHBondContact O-N 3.41Å; N382-I384 VanDerWaalsContact C-N 3.25Å; N382-I384 PolarHBondContact O-N 2.7Å; N382-I384 WeakPolarHBondContact OD1-CA 3Å; N382-I384 WeakPolarHBondContact OD1-CB 3.33Å; N382-I384 PolarHBondContact OD1-N 3.43Å; N382-R385 HydrophobicContact CB-CB 3.99Å; N382-R385 PolarHBondContact O-N 3.21Å; N382-R385 VanDerWaalsContact O-N 3.1Å; N382-R385 PolarHBondContact OD1-N 2.93Å; N382-R385 VanDerWaalsContact OD1-N 3.11Å; N382-N386 PolarHBondContact O-N 2.87Å; N382-N386 PolarHBondContact O-OD1 2.95Å; N382-N386 VanDerWaalsContact O-OD1 3.13Å
383R97.4Very high95.4Very high105 Ų10547.3 Ų47.340%0.39624%0.244SC..Hα-helixtrans-58.9-33.4-177.2-61.3-178.470.6-147.1-10.2114.2G339 M340 D341 R387G339-R383 CarbonylContact C-O 3.54Å; G339-R383 VanDerWaalsContact CA-O 3.26Å; G339-R383 WeakPolarHBondContact CA-O 3.41Å; G339-R383 PolarHBondContact O-NH2 3.47Å; G339-R383 VanDerWaalsContact O-NH2 3.15Å; M340-R383 PolarHBondContact N-O 2.75Å; M340-R383 VanDerWaalsContact O-CA 3.22Å; M340-R383 WeakPolarHBondContact O-CA 3.34Å; D341-R383 WeakPolarHBondContact OD1-CD 3.19Å; D341-R383 VanDerWaalsContact OD1-CG 3.32Å; D341-R383 WeakPolarHBondContact OD1-CG 3.47Å; D341-R383 IonicContact OD1-CZ 4Å; D341-R383 IonicContact OD1-NE 3.81Å; D341-R383 PolarHBondContact OD1-NE 2.87Å; D341-R383 IonicContact OD2-NE 2.7Å; R383-R387 PolarHBondContact O-N 3.09Å; R383-R387 VanDerWaalsContact O-N 3.1Å
384I97.8Very high95.5Very high73 Ų7347.3 Ų47.337%0.37424%0.243SC..Hα-helixtrans-70.8-45.5177.6-57.6-57.1000110.2E338 N382 N386 R387 D388E338-I384 VanDerWaalsContact O-CD1 3.3Å; E338-I384 WeakPolarHBondContact O-CD1 3.31Å; N382-I384 VanDerWaalsContact C-N 3.25Å; N382-I384 PolarHBondContact O-N 2.7Å; N382-I384 WeakPolarHBondContact OD1-CA 3Å; N382-I384 WeakPolarHBondContact OD1-CB 3.33Å; N382-I384 PolarHBondContact OD1-N 3.43Å; I384-N386 VanDerWaalsContact C-N 3.27Å; I384-N386 PolarHBondContact O-N 2.87Å; I384-R387 WeakPolarHBondContact O-CB 3.39Å; I384-R387 PolarHBondContact O-N 3.46Å; I384-D388 VanDerWaalsContact O-CG 3.22Å; I384-D388 PolarHBondContact O-N 2.96Å
385R97.2Very high95.7Very high160 Ų16044.6 Ų44.660%0.60423%0.227SC*.Hα-helixtrans-63.1-35.9175.9-175.1172.7178.5115.62.4112.1N382 D388 G389N382-R385 HydrophobicContact CB-CB 3.99Å; N382-R385 PolarHBondContact O-N 3.21Å; N382-R385 VanDerWaalsContact O-N 3.1Å; N382-R385 PolarHBondContact OD1-N 2.93Å; N382-R385 VanDerWaalsContact OD1-N 3.11Å; R385-D388 PolarHBondContact O-N 3.4Å; R385-G389 PolarHBondContact O-N 3.33Å
386N97.8Very high95.9Very high1 Ų142.4 Ų42.41%0.00521%0.214CC..Hα-helixtrans-64.2-45.5176.5-64.9-7.2000111.7M340 R342 V345 V377 G380 N382 I384 G389 Y390M340-N386 HydrophobicContact CB-CB 4.34Å; M340-N386 WeakPolarHBondContact O-CB 3.49Å; M340-N386 PolarHBondContact O-ND2 3.48Å; R342-N386 PolarHBondContact N-ND2 2.72Å; V345-N386 HydrophobicContact CG2-CB 4Å; V377-N386 HydrophobicContact CG1-CB 4.35Å; G380-N386 VanDerWaalsContact CA-OD1 3.23Å; G380-N386 WeakPolarHBondContact CA-OD1 3.44Å; G380-N386 PolarHBondContact O-ND2 3.26Å; N382-N386 PolarHBondContact O-N 2.87Å; N382-N386 PolarHBondContact O-OD1 2.95Å; N382-N386 VanDerWaalsContact O-OD1 3.13Å; I384-N386 VanDerWaalsContact C-N 3.27Å; I384-N386 PolarHBondContact O-N 2.87Å; N386-G389 PolarHBondContact O-N 2.88Å; N386-Y390 WeakPolarHBondContact O-CB 3.34Å; N386-Y390 PolarHBondContact O-N 3.11Å
387R97.5Very high95.8Very high16 Ų1642.4 Ų42.46%0.0621%0.214CC..Hα-helixtrans-56.7-50.7173.1178.9-157.566.5-156.5-1110.6W336 R337 M340 R383 I384 G389 Y390 T391 F436W336-R387 HydrophobicContact CE3-CG 3.67Å; W336-R387 HydrophobicContact CZ3-CG 3.84Å; W336-R387 WeakPolarHBondContact O-CD 3.32Å; W336-R387 WeakPolarHBondContact O-CG 3.47Å; R337-R387 PolarHBondContact O-NH1 3.31Å; M340-R387 HydrophobicContact CG-CB 4.24Å; R383-R387 PolarHBondContact O-N 3.09Å; R383-R387 VanDerWaalsContact O-N 3.1Å; I384-R387 WeakPolarHBondContact O-CB 3.39Å; I384-R387 PolarHBondContact O-N 3.46Å; R387-G389 VanDerWaalsContact C-N 3.35Å; R387-G389 PolarHBondContact O-N 3.35Å; R387-Y390 WeakPolarHBondContact O-CB 3.09Å; R387-Y390 PolarHBondContact O-N 2.98Å; R387-Y390 VanDerWaalsContact O-N 3.15Å; R387-T391 WeakPolarHBondContact O-CG2 3.31Å; R387-T391 PolarHBondContact O-N 3.35Å; R387-T391 PolarHBondContact O-OG1 3.34Å; R387-F436 VanDerWaalsContact CZ-CD1 3.44Å; R387-F436 VanDerWaalsContact CZ-CG 3.48Å
388D97.6Very high95.8Very high53 Ų5342.6 Ų42.628%0.28322%0.215SC..Hα-helixtrans-61.4-45.3-178.4-62.6-14.3000110.8I384 R385 Y390 T391 E392I384-D388 VanDerWaalsContact O-CG 3.22Å; I384-D388 PolarHBondContact O-N 2.96Å; R385-D388 PolarHBondContact O-N 3.4Å; D388-Y390 VanDerWaalsContact C-N 3.32Å; D388-Y390 PolarHBondContact O-N 2.88Å; D388-T391 PolarHBondContact O-N 3.39Å; D388-T391 PolarHBondContact O-OG1 3.08Å; D388-E392 WeakPolarHBondContact O-CG 3.01Å; D388-E392 PolarHBondContact O-N 3.27Å
389G97.3Very high96Very high3 Ų341.6 Ų41.63%0.03120%0.202CC..Hα-helixtrans-61.1-36.4174.700000113.4Y376 R385 N386 R387 E392 F393Y376-G389 WeakPolarHBondContact CD1-O 3.48Å; R385-G389 PolarHBondContact O-N 3.33Å; N386-G389 PolarHBondContact O-N 2.88Å; R387-G389 VanDerWaalsContact C-N 3.35Å; R387-G389 PolarHBondContact O-N 3.35Å; G389-E392 PolarHBondContact O-N 3.31Å; G389-F393 PolarHBondContact O-N 3.38Å
390Y97.4Very high96.4Very high1 Ų137.6 Ų37.60%0.00418%0.175CC..Hα-helixtrans-65.9-43174-179.7-115.4000112.2F331 A332 M340 V345 M348 V349 L352 N386 R387 D388 E392 F393 I394F331-Y390 PolarHBondContact O-OH 2.73Å; A332-Y390 HydrophobicContact CB-CE1 3.88Å; M340-Y390 HydrophobicContact CE-CD1 3.89Å; M340-Y390 HydrophobicContact CE-CE1 4.27Å; M340-Y390 HydrophobicContact CE-CG 4.06Å; M340-Y390 HydrophobicContact SD-CD1 3.56Å; M340-Y390 VanDerWaalsContact SD-CD1 3.56Å; M340-Y390 HydrophobicContact SD-CE1 4.35Å; M340-Y390 HydrophobicContact SD-CG 3.91Å; V345-Y390 HydrophobicContact CG1-CD2 4.22Å; M348-Y390 HydrophobicContact CB-CD2 4.45Å; M348-Y390 HydrophobicContact CB-CE2 3.58Å; M348-Y390 HydrophobicContact CG-CE2 4.44Å; V349-Y390 HydrophobicContact CG2-CD2 4.37Å; L352-Y390 HydrophobicContact CD1-CE2 4.44Å; N386-Y390 WeakPolarHBondContact O-CB 3.34Å; N386-Y390 PolarHBondContact O-N 3.11Å; R387-Y390 WeakPolarHBondContact O-CB 3.09Å; R387-Y390 PolarHBondContact O-N 2.98Å; R387-Y390 VanDerWaalsContact O-N 3.15Å; D388-Y390 VanDerWaalsContact C-N 3.32Å; D388-Y390 PolarHBondContact O-N 2.88Å; Y390-E392 VanDerWaalsContact C-N 3.33Å; Y390-E392 PolarHBondContact O-N 2.99Å; Y390-F393 HydrophobicContact CD2-CD1 4.3Å; Y390-F393 HydrophobicContact CE2-CD1 4.23Å; Y390-F393 WeakPolarHBondContact O-CB 3.41Å; Y390-F393 PolarHBondContact O-N 3.46Å; Y390-I394 HydrophobicContact CD1-CD1 4.15Å; Y390-I394 HydrophobicContact CE1-CD1 3.57Å; Y390-I394 HydrophobicContact CE1-CG1 4.44Å; Y390-I394 HydrophobicContact CE2-CD1 4.35Å; Y390-I394 HydrophobicContact CE2-CG1 4.41Å; Y390-I394 PolarHBondContact O-N 3.47Å
391T97.5Very high96.7Very high2 Ų237.4 Ų37.41%0.01217%0.171CC..Hα-helixtrans-66.4-34.4175.859.40000112.6H321 G323 W336 R387 D388 G395H321-T391 PolarHBondContact NE2-OG1 3.23Å; G323-T391 WeakPolarHBondContact O-CB 3.32Å; G323-T391 VanDerWaalsContact O-CG2 3.23Å; G323-T391 WeakPolarHBondContact O-CG2 3.34Å; W336-T391 HydrophobicContact CE3-CG2 4.46Å; W336-T391 HydrophobicContact CH2-CG2 4.12Å; W336-T391 HydrophobicContact CZ3-CG2 3.53Å; R387-T391 WeakPolarHBondContact O-CG2 3.31Å; R387-T391 PolarHBondContact O-N 3.35Å; R387-T391 PolarHBondContact O-OG1 3.34Å; D388-T391 PolarHBondContact O-N 3.39Å; D388-T391 PolarHBondContact O-OG1 3.08Å; T391-G395 PolarHBondContact O-N 2.87Å
392E97.3Very high96.8Very high69 Ų6929.3 Ų29.332%0.32213%0.134SC..Hα-helixtrans-64.5-43.7171.1-74.6179.9-168.500111.3Y376 D388 G389 Y390 I394 G395 D396 R523Y376-E392 HydrophobicContact CD1-CB 3.78Å; Y376-E392 HydrophobicContact CE1-CB 3.92Å; D388-E392 WeakPolarHBondContact O-CG 3.01Å; D388-E392 PolarHBondContact O-N 3.27Å; G389-E392 PolarHBondContact O-N 3.31Å; Y390-E392 VanDerWaalsContact C-N 3.33Å; Y390-E392 PolarHBondContact O-N 2.99Å; E392-I394 PolarHBondContact O-N 3.4Å; E392-G395 PolarHBondContact O-N 2.9Å; E392-D396 VanDerWaalsContact O-CB 3.32Å; E392-D396 WeakPolarHBondContact O-CB 3.32Å; E392-D396 PolarHBondContact O-N 3.41Å; E392-R523 IonicContact OE2-CZ 3.23Å; E392-R523 IonicContact OE2-NH2 2.73Å; E392-R523 PolarHBondContact OE2-NH2 3.32Å
393F96.4Very high96.9Very high1 Ų125 Ų250%0.00411%0.111CC..Hα-helixtrans-56.3-49.1175.2163.5-96.6000111.4V349 L352 I372 Y376 G389 Y390 G395 D396 F397V349-F393 HydrophobicContact CG1-CE2 4.33Å; V349-F393 HydrophobicContact CG1-CZ 4.29Å; V349-F393 HydrophobicContact CG2-CD1 4.08Å; V349-F393 HydrophobicContact CG2-CE1 4.11Å; V349-F393 HydrophobicContact CG2-CG 4.31Å; V349-F393 HydrophobicContact CG2-CZ 4.35Å; L352-F393 HydrophobicContact CB-CE1 4.23Å; L352-F393 HydrophobicContact CB-CZ 4.4Å; L352-F393 HydrophobicContact CD1-CE1 4.15Å; I372-F393 HydrophobicContact CG2-CD2 3.65Å; I372-F393 HydrophobicContact CG2-CE2 3.7Å; Y376-F393 HydrophobicContact CD1-CB 3.97Å; Y376-F393 HydrophobicContact CD2-CB 4.23Å; Y376-F393 HydrophobicContact CD2-CD2 4.44Å; Y376-F393 VanDerWaalsContact CE1-CA 3.48Å; Y376-F393 HydrophobicContact CE1-CB 4.07Å; Y376-F393 HydrophobicContact CE2-CB 4.34Å; Y376-F393 HydrophobicContact CE2-CD2 4.18Å; Y376-F393 HydrophobicContact CG-CB 4.05Å; G389-F393 PolarHBondContact O-N 3.38Å; Y390-F393 HydrophobicContact CD2-CD1 4.3Å; Y390-F393 HydrophobicContact CE2-CD1 4.23Å; Y390-F393 WeakPolarHBondContact O-CB 3.41Å; Y390-F393 PolarHBondContact O-N 3.46Å; F393-G395 PolarHBondContact O-N 2.77Å; F393-D396 PolarHBondContact O-N 3.44Å; F393-F397 AromaticContact CD2-CD2 3.35Å; F393-F397 HydrophobicContact CD2-CD2 3.35Å; F393-F397 AromaticContact CD2-CE2 3.47Å; F393-F397 HydrophobicContact CD2-CE2 3.47Å; F393-F397 VanDerWaalsContact CD2-CE2 3.47Å; F393-F397 HydrophobicContact CD2-CG 4.16Å; F393-F397 HydrophobicContact CD2-CZ 4.37Å; F393-F397 HydrophobicContact CE2-CB 4.49Å; F393-F397 HydrophobicContact CE2-CD1 4.3Å; F393-F397 AromaticContact CE2-CD2 3.42Å; F393-F397 HydrophobicContact CE2-CD2 3.42Å; F393-F397 VanDerWaalsContact CE2-CD2 3.42Å; F393-F397 HydrophobicContact CE2-CE1 4.39Å; F393-F397 AromaticContact CE2-CE2 3.53Å; F393-F397 HydrophobicContact CE2-CE2 3.53Å; F393-F397 AromaticContact CE2-CG 3.82Å; F393-F397 HydrophobicContact CE2-CG 3.82Å; F393-F397 HydrophobicContact CE2-CZ 4.02Å; F393-F397 HydrophobicContact CG-CD2 4.26Å; F393-F397 HydrophobicContact CZ-CD2 4.39Å; F393-F397 HydrophobicContact CZ-CG 4.44Å; F393-F397 WeakPolarHBondContact O-CB 3.26Å; F393-F397 WeakPolarHBondContact O-CD2 3.27Å; F393-F397 PolarHBondContact O-N 2.9Å
394I95.6Very high96.9Very high0 Ų020.4 Ų20.40%09%0.094CC..Hα-helixtrans-57.8-51.4175.7-68.2174.5000110.2V327 F331 Y390 E392 D396 F398V327-I394 HydrophobicContact CB-CG2 4.42Å; V327-I394 HydrophobicContact CG1-CG2 3.63Å; F331-I394 HydrophobicContact CB-CD1 4.14Å; Y390-I394 HydrophobicContact CD1-CD1 4.15Å; Y390-I394 HydrophobicContact CE1-CD1 3.57Å; Y390-I394 HydrophobicContact CE1-CG1 4.44Å; Y390-I394 HydrophobicContact CE2-CD1 4.35Å; Y390-I394 HydrophobicContact CE2-CG1 4.41Å; Y390-I394 PolarHBondContact O-N 3.47Å; E392-I394 PolarHBondContact O-N 3.4Å; I394-D396 VanDerWaalsContact C-N 3.33Å; I394-D396 PolarHBondContact O-N 2.64Å; I394-F398 HydrophobicContact CG2-CD2 4.06Å; I394-F398 HydrophobicContact CG2-CE2 4.37Å; I394-F398 HydrophobicContact CG2-CG 4.43Å; I394-F398 VanDerWaalsContact O-CB 3.24Å; I394-F398 WeakPolarHBondContact O-CB 3.39Å; I394-F398 PolarHBondContact O-N 3.19Å
395G96.6Very high96.9Very high4 Ų420.4 Ų20.44%0.0419%0.092CC..Hα-helixtrans-62.7-37.4-17700000113.9T391 E392 F393 F399 S400T391-G395 PolarHBondContact O-N 2.87Å; E392-G395 PolarHBondContact O-N 2.9Å; F393-G395 PolarHBondContact O-N 2.77Å; G395-F399 PolarHBondContact O-N 2.88Å; G395-S400 PolarHBondContact O-N 3.04Å; G395-S400 PolarHBondContact O-OG 2.93Å
396D96.1Very high97Very high2 Ų212.8 Ų12.81%0.0116%0.063CC..Iπ-helixtrans-78.6-43.3-177.1-72.5-15.7000112.1Y376 E392 F393 I394 T401 R520 R523Y376-D396 HydrophobicContact CE1-CB 4.45Å; Y376-D396 WeakPolarHBondContact OH-CB 3.4Å; Y376-D396 PolarHBondContact OH-OD2 3.19Å; E392-D396 VanDerWaalsContact O-CB 3.32Å; E392-D396 WeakPolarHBondContact O-CB 3.32Å; E392-D396 PolarHBondContact O-N 3.41Å; F393-D396 PolarHBondContact O-N 3.44Å; I394-D396 VanDerWaalsContact C-N 3.33Å; I394-D396 PolarHBondContact O-N 2.64Å; D396-T401 WeakPolarHBondContact O-CB 3.37Å; D396-T401 PolarHBondContact O-N 2.97Å; D396-T401 PolarHBondContact O-OG1 2.82Å; D396-R520 WeakPolarHBondContact OD1-CD 3.44Å; D396-R520 IonicContact OD1-CZ 3.31Å; D396-R520 IonicContact OD1-NE 2.96Å; D396-R520 IonicContact OD1-NH1 3.06Å; D396-R520 PolarHBondContact OD1-NH1 3.32Å; D396-R523 WeakPolarHBondContact OD2-CD 3.19Å; D396-R523 WeakPolarHBondContact OD2-CG 3.36Å; D396-R523 IonicContact OD2-NE 3.82Å; D396-R523 PolarHBondContact OD2-NE 3.28Å
397F94.3Very high97Very high12 Ų1212.8 Ų12.85%0.0536%0.063CC..Iπ-helixtrans-78-38.7-179.5-83.8-99.1000112.8V356 L357 Y376 F393 P402 V527 L531V356-F397 HydrophobicContact CB-CD1 4.07Å; V356-F397 HydrophobicContact CG2-CB 4.45Å; V356-F397 HydrophobicContact CG2-CD1 3.6Å; V356-F397 HydrophobicContact CG2-CE1 4.21Å; V356-F397 HydrophobicContact CG2-CG 4.32Å; L357-F397 HydrophobicContact CD2-CE1 4Å; L357-F397 HydrophobicContact CG-CE1 4.47Å; Y376-F397 AromaticContact CE2-CE2 3.9Å; Y376-F397 HydrophobicContact CE2-CE2 3.9Å; F393-F397 AromaticContact CD2-CD2 3.35Å; F393-F397 HydrophobicContact CD2-CD2 3.35Å; F393-F397 AromaticContact CD2-CE2 3.47Å; F393-F397 HydrophobicContact CD2-CE2 3.47Å; F393-F397 VanDerWaalsContact CD2-CE2 3.47Å; F393-F397 HydrophobicContact CD2-CG 4.16Å; F393-F397 HydrophobicContact CD2-CZ 4.37Å; F393-F397 HydrophobicContact CE2-CB 4.49Å; F393-F397 HydrophobicContact CE2-CD1 4.3Å; F393-F397 AromaticContact CE2-CD2 3.42Å; F393-F397 HydrophobicContact CE2-CD2 3.42Å; F393-F397 VanDerWaalsContact CE2-CD2 3.42Å; F393-F397 HydrophobicContact CE2-CE1 4.39Å; F393-F397 AromaticContact CE2-CE2 3.53Å; F393-F397 HydrophobicContact CE2-CE2 3.53Å; F393-F397 AromaticContact CE2-CG 3.82Å; F393-F397 HydrophobicContact CE2-CG 3.82Å; F393-F397 HydrophobicContact CE2-CZ 4.02Å; F393-F397 HydrophobicContact CG-CD2 4.26Å; F393-F397 HydrophobicContact CZ-CD2 4.39Å; F393-F397 HydrophobicContact CZ-CG 4.44Å; F393-F397 WeakPolarHBondContact O-CB 3.26Å; F393-F397 WeakPolarHBondContact O-CD2 3.27Å; F393-F397 PolarHBondContact O-N 2.9Å; F397-P402 WeakPolarHBondContact O-CD 3.5Å; F397-P402 WeakPolarHBondContact O-CG 3.4Å; F397-V527 HydrophobicContact CD1-CG1 4.13Å; F397-V527 HydrophobicContact CD2-CG2 4.19Å; F397-V527 HydrophobicContact CE1-CG1 3.82Å; F397-V527 HydrophobicContact CE1-CG2 4.26Å; F397-V527 HydrophobicContact CE2-CG2 3.72Å; F397-V527 HydrophobicContact CZ-CG1 4.14Å; F397-V527 HydrophobicContact CZ-CG2 3.77Å; F397-L531 HydrophobicContact CE1-CD2 4.11Å; F397-L531 HydrophobicContact CZ-CD2 3.74Å
398F94Very high97.1Very high5 Ų513 Ų132%0.0227%0.065CC..Iπ-helixtrans-87.9-28.7-174.2-67.315.5000111.9M230 I232 V327 F331 L352 V356 I394M230-F398 HydrophobicContact CE-CB 4.27Å; M230-F398 WeakPolarHBondContact CE-O 3.35Å; M230-F398 WeakPolarHBondContact CG-O 3.46Å; I232-F398 HydrophobicContact CD1-CD2 4.34Å; I232-F398 HydrophobicContact CD1-CE1 3.79Å; I232-F398 HydrophobicContact CD1-CE2 3.52Å; I232-F398 HydrophobicContact CD1-CZ 3.21Å; I232-F398 HydrophobicContact CG2-CD1 4.48Å; I232-F398 HydrophobicContact CG2-CD2 4.48Å; I232-F398 HydrophobicContact CG2-CG 4.4Å; V327-F398 HydrophobicContact CG1-CD2 4.45Å; F331-F398 AromaticContact CD2-CE2 3.98Å; F331-F398 HydrophobicContact CD2-CE2 3.98Å; F331-F398 HydrophobicContact CE1-CE2 4.38Å; F331-F398 HydrophobicContact CE2-CD2 4.42Å; F331-F398 AromaticContact CE2-CE2 3.72Å; F331-F398 HydrophobicContact CE2-CE2 3.72Å; F331-F398 HydrophobicContact CG-CE2 4.41Å; F331-F398 AromaticContact CZ-CE2 3.93Å; F331-F398 HydrophobicContact CZ-CE2 3.93Å; L352-F398 HydrophobicContact CD1-CZ 4.22Å; L352-F398 HydrophobicContact CD2-CZ 4.27Å; V356-F398 HydrophobicContact CG1-CD1 3.72Å; V356-F398 HydrophobicContact CG1-CE1 3.46Å; V356-F398 VanDerWaalsContact CG1-CE1 3.46Å; I394-F398 HydrophobicContact CG2-CD2 4.06Å; I394-F398 HydrophobicContact CG2-CE2 4.37Å; I394-F398 HydrophobicContact CG2-CG 4.43Å; I394-F398 VanDerWaalsContact O-CB 3.24Å; I394-F398 WeakPolarHBondContact O-CB 3.39Å; I394-F398 PolarHBondContact O-N 3.19Å
399F96.9Very high97.1Very high8 Ų811 Ų114%0.0356%0.056CC..Iπ-helixtrans-127-59.5-169.4-60.1-79.2000113.3S225 M230 V318 E322 V327 G395 P402 A403 H441S225-F399 WeakPolarHBondContact O-CD1 3.37Å; S225-F399 WeakPolarHBondContact O-CE1 3.24Å; M230-F399 HydrophobicContact CE-CD1 4.06Å; M230-F399 HydrophobicContact CE-CE1 3.71Å; M230-F399 HydrophobicContact CE-CZ 4.18Å; M230-F399 HydrophobicContact SD-CD1 4.13Å; M230-F399 HydrophobicContact SD-CE1 4.19Å; V318-F399 HydrophobicContact CG1-CB 4.08Å; E322-F399 HydrophobicContact CB-CB 4.15Å; E322-F399 HydrophobicContact CB-CD2 3.44Å; E322-F399 VanDerWaalsContact CB-CD2 3.44Å; E322-F399 HydrophobicContact CB-CE2 3.99Å; E322-F399 HydrophobicContact CB-CG 3.89Å; E322-F399 HydrophobicContact CG-CB 3.73Å; E322-F399 HydrophobicContact CG-CD2 3.95Å; E322-F399 HydrophobicContact CG-CG 3.85Å; V327-F399 HydrophobicContact CG1-CE2 4.17Å; V327-F399 HydrophobicContact CG2-CE2 4.05Å; V327-F399 HydrophobicContact CG2-CZ 3.91Å; G395-F399 PolarHBondContact O-N 2.88Å; F399-P402 WeakPolarHBondContact O-CD 3.26Å; F399-A403 VanDerWaalsContact O-CB 3.28Å; F399-A403 WeakPolarHBondContact O-CB 3.12Å; F399-A403 PolarHBondContact O-N 3.46Å; F399-H441 AromaticContact CE1-CE1 3.37Å; F399-H441 WeakPolarHBondContact CE1-CE1 3.4Å; F399-H441 AromaticContact CE1-ND1 3.8Å; F399-H441 AromaticContact CZ-CE1 3.69Å; F399-H441 AromaticContact CZ-ND1 3.88Å
400S97.7Very high97.2Very high2 Ų210.9 Ų10.91%0.0145%0.054CC..Iπ-helixtrans-66.2-48.2-169.4-53.50000112.5G395 A403 V404G395-S400 PolarHBondContact O-N 3.04Å; G395-S400 PolarHBondContact O-OG 2.93Å; S400-A403 PolarHBondContact O-N 3.11Å; S400-V404 WeakPolarHBondContact O-CG2 3.28Å; S400-V404 PolarHBondContact O-N 3.05Å; S400-V404 VanDerWaalsContact O-N 3.11Å
401T97.4Very high97.2Very high5 Ų512.9 Ų12.93%0.0316%0.062CC..Hα-helixtrans-65.3-47.8178.6-57.60000111.6D396 A403 V404 K405 F524 V527 T528D396-T401 WeakPolarHBondContact O-CB 3.37Å; D396-T401 PolarHBondContact O-N 2.97Å; D396-T401 PolarHBondContact O-OG1 2.82Å; T401-A403 PolarHBondContact O-N 2.92Å; T401-V404 PolarHBondContact O-N 3.35Å; T401-K405 HydrophobicContact CG2-CD 4.43Å; T401-K405 HydrophobicContact CG2-CG 4.43Å; T401-K405 WeakPolarHBondContact O-CG 3.24Å; T401-K405 PolarHBondContact O-N 2.98Å; T401-F524 HydrophobicContact CG2-CD2 3.9Å; T401-F524 HydrophobicContact CG2-CE2 4.04Å; T401-V527 HydrophobicContact CG2-CB 4.2Å; T401-V527 HydrophobicContact CG2-CG1 3.89Å; T401-T528 HydrophobicContact CG2-CG2 3.65Å
402P96.9Very high97.3Very high3 Ų317.1 Ų17.12%0.0198%0.084CC..Hα-helixtrans-54.1-45.5172.1-32.840.4000114.3T227 A229 M230 F397 F399 V404 K405 V406T227-P402 WeakPolarHBondContact OG1-CB 3.45Å; T227-P402 PolarHBondContact OG1-O 2.87Å; A229-P402 HydrophobicContact CB-CB 4Å; A229-P402 WeakPolarHBondContact O-CB 3.46Å; A229-P402 WeakPolarHBondContact O-CG 3.3Å; M230-P402 HydrophobicContact CG-CB 3.86Å; M230-P402 HydrophobicContact CG-CG 4.09Å; F397-P402 WeakPolarHBondContact O-CD 3.5Å; F397-P402 WeakPolarHBondContact O-CG 3.4Å; F399-P402 WeakPolarHBondContact O-CD 3.26Å; P402-V404 PolarHBondContact O-N 2.96Å; P402-K405 WeakPolarHBondContact O-CB 3.36Å; P402-K405 PolarHBondContact O-N 2.66Å; P402-V406 PolarHBondContact O-N 3.36Å
403A98.3Very high97.3Very high1 Ų115.1 Ų15.11%0.0088%0.08CC..Hα-helixtrans-60.1-45.6179.400000112T227 V318 F399 S400 T401 V406 A407T227-A403 HydrophobicContact CG2-CB 4.4Å; V318-A403 HydrophobicContact CG1-CB 3.81Å; F399-A403 VanDerWaalsContact O-CB 3.28Å; F399-A403 WeakPolarHBondContact O-CB 3.12Å; F399-A403 PolarHBondContact O-N 3.46Å; S400-A403 PolarHBondContact O-N 3.11Å; T401-A403 PolarHBondContact O-N 2.92Å; A403-V406 PolarHBondContact O-N 3.44Å; A403-A407 VanDerWaalsContact O-CB 3.3Å; A403-A407 WeakPolarHBondContact O-CB 3.28Å; A403-A407 PolarHBondContact O-N 2.82Å
404V98.4Very high97.4Very high8 Ų817.7 Ų17.75%0.04811%0.107CC..Hα-helixtrans-67.5-38.9177.21780000111.6S400 T401 P402 V406 A407 N408 L519 F524S400-V404 WeakPolarHBondContact O-CG2 3.28Å; S400-V404 PolarHBondContact O-N 3.05Å; S400-V404 VanDerWaalsContact O-N 3.11Å; T401-V404 PolarHBondContact O-N 3.35Å; P402-V404 PolarHBondContact O-N 2.96Å; V404-V406 PolarHBondContact O-N 3.24Å; V404-A407 PolarHBondContact O-N 3.18Å; V404-N408 WeakPolarHBondContact O-CB 3.42Å; V404-N408 VanDerWaalsContact O-CG 3.23Å; V404-N408 PolarHBondContact O-N 3.48Å; V404-N408 PolarHBondContact O-ND2 3.33Å; V404-L519 HydrophobicContact CG2-CB 4.36Å; V404-L519 HydrophobicContact CG2-CD2 4.24Å; V404-F524 HydrophobicContact CB-CD2 3.71Å; V404-F524 HydrophobicContact CB-CE2 3.64Å; V404-F524 HydrophobicContact CG1-CD2 3.61Å; V404-F524 HydrophobicContact CG1-CE1 4.4Å; V404-F524 HydrophobicContact CG1-CE2 3.43Å; V404-F524 VanDerWaalsContact CG1-CE2 3.43Å; V404-F524 HydrophobicContact CG1-CG 4.18Å; V404-F524 HydrophobicContact CG1-CZ 3.86Å; V404-F524 HydrophobicContact CG2-CD2 4.48Å
405K97.7Very high97.5Very high73 Ų7317.8 Ų17.832%0.31711%0.108SC..Hα-helixtrans-57.2-49.5174.3-77.7179.5177177.50111.4A229 D231 T401 P402 N408 A409 F524A229-K405 HydrophobicContact CB-CB 4.2Å; A229-K405 HydrophobicContact CB-CD 4.26Å; D231-K405 IonicContact OD2-NZ 3.63Å; T401-K405 HydrophobicContact CG2-CD 4.43Å; T401-K405 HydrophobicContact CG2-CG 4.43Å; T401-K405 WeakPolarHBondContact O-CG 3.24Å; T401-K405 PolarHBondContact O-N 2.98Å; P402-K405 WeakPolarHBondContact O-CB 3.36Å; P402-K405 PolarHBondContact O-N 2.66Å; K405-N408 PolarHBondContact O-N 3.11Å; K405-A409 PolarHBondContact O-N 3.44Å; K405-F524 HydrophobicContact CG-CE2 4.02Å; K405-F524 HydrophobicContact CG-CZ 4.36Å
406V98.4Very high97.6Very high0 Ų020.8 Ų20.80%012%0.123CC..Hα-helixtrans-70.8-38-178.5176.90000111.8T227 A229 L304 F314 P402 A403 V404 A409 H410T227-V406 HydrophobicContact CG2-CB 4.26Å; T227-V406 HydrophobicContact CG2-CG2 4.39Å; A229-V406 HydrophobicContact CB-CG2 3.61Å; L304-V406 HydrophobicContact CD1-CG2 4.04Å; F314-V406 HydrophobicContact CE1-CG1 3.91Å; F314-V406 HydrophobicContact CZ-CG1 4.19Å; P402-V406 PolarHBondContact O-N 3.36Å; A403-V406 PolarHBondContact O-N 3.44Å; V404-V406 PolarHBondContact O-N 3.24Å; V406-A409 PolarHBondContact O-N 2.84Å; V406-H410 WeakPolarHBondContact CG1-ND1 3.4Å; V406-H410 PolarHBondContact O-N 3.45Å; V406-H410 PolarHBondContact O-ND1 2.93Å
407A98.6Very high97.8Very high0 Ų020.7 Ų20.70%012%0.122CC..Hα-helixtrans-60.6-44.1173.800000111.9T316 A403 V404 R411 V417 Y499T316-A407 HydrophobicContact CG2-CB 3.87Å; A403-A407 VanDerWaalsContact O-CB 3.3Å; A403-A407 WeakPolarHBondContact O-CB 3.28Å; A403-A407 PolarHBondContact O-N 2.82Å; V404-A407 PolarHBondContact O-N 3.18Å; A407-R411 VanDerWaalsContact O-CB 3.27Å; A407-R411 WeakPolarHBondContact O-CB 3.4Å; A407-R411 PolarHBondContact O-N 3.25Å; A407-V417 HydrophobicContact CB-CG1 4.13Å; A407-Y499 HydrophobicContact CB-CD1 4.14Å; A407-Y499 HydrophobicContact CB-CE1 3.92Å
408N98.4Very high98Very high22 Ų2220.6 Ų20.612%0.11812%0.122CC..Hα-helixtrans-60-50.3175-76.3-23.9000111.4V404 K405 H410 R411 D412 Y499V404-N408 WeakPolarHBondContact O-CB 3.42Å; V404-N408 VanDerWaalsContact O-CG 3.23Å; V404-N408 PolarHBondContact O-N 3.48Å; V404-N408 PolarHBondContact O-ND2 3.33Å; K405-N408 PolarHBondContact O-N 3.11Å; N408-H410 PolarHBondContact O-N 2.99Å; N408-R411 PolarHBondContact O-N 3.42Å; N408-R411 VanDerWaalsContact OD1-CZ 3.22Å; N408-R411 PolarHBondContact OD1-NH1 3.41Å; N408-R411 PolarHBondContact OD1-NH2 2.9Å; N408-D412 WeakPolarHBondContact O-CB 3.4Å; N408-D412 PolarHBondContact O-N 3.42Å; N408-Y499 WeakPolarHBondContact OD1-CE1 3.44Å; N408-Y499 PolarHBondContact OD1-OH 2.79Å
409A98.4Very high98.2Very high10 Ų1020.3 Ų20.38%0.08312%0.121CC..Hα-helixtrans-59.8-42.2-179.400000112.9L304 L309 K405 V406 D412 A413L304-A409 HydrophobicContact CB-CB 3.91Å; L304-A409 HydrophobicContact CD2-CB 3.76Å; L304-A409 HydrophobicContact CG-CB 4.33Å; L309-A409 HydrophobicContact CD2-CB 4.44Å; K405-A409 PolarHBondContact O-N 3.44Å; V406-A409 PolarHBondContact O-N 2.84Å; A409-D412 PolarHBondContact O-N 3.13Å; A409-A413 VanDerWaalsContact O-CB 3.28Å; A409-A413 WeakPolarHBondContact O-CB 3.22Å; A409-A413 PolarHBondContact O-N 2.9Å
410H98.7Very high98.3Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-70.4-40177.4-7578000112.2F314 V406 N408 D412 A413 G414 A415 V417F314-H410 HydrophobicContact CD1-CB 4.14Å; F314-H410 AromaticContact CD1-CG 3.93Å; V406-H410 WeakPolarHBondContact CG1-ND1 3.4Å; V406-H410 PolarHBondContact O-N 3.45Å; V406-H410 PolarHBondContact O-ND1 2.93Å; N408-H410 PolarHBondContact O-N 2.99Å; H410-D412 VanDerWaalsContact C-N 3.34Å; H410-D412 PolarHBondContact O-N 2.9Å; H410-A413 PolarHBondContact O-N 3.1Å; H410-G414 PolarHBondContact O-N 2.78Å; H410-A415 HydrophobicContact CB-CB 4.17Å; H410-A415 VanDerWaalsContact O-CB 3.29Å; H410-A415 WeakPolarHBondContact O-CB 3.42Å; H410-A415 PolarHBondContact O-N 3.26Å; H410-V417 HydrophobicContact CB-CG2 3.68Å
411R98.4Very high98.4Very high44 Ų4420.5 Ų20.517%0.16612%0.121CC..Hα-helixtrans-58.8-47.2173.6174.9-159.867.8-150.1-9.4110.7A407 N408 A413 G414 V417 Y499A407-R411 VanDerWaalsContact O-CB 3.27Å; A407-R411 WeakPolarHBondContact O-CB 3.4Å; A407-R411 PolarHBondContact O-N 3.25Å; N408-R411 PolarHBondContact O-N 3.42Å; N408-R411 VanDerWaalsContact OD1-CZ 3.22Å; N408-R411 PolarHBondContact OD1-NH1 3.41Å; N408-R411 PolarHBondContact OD1-NH2 2.9Å; R411-A413 VanDerWaalsContact C-N 3.29Å; R411-A413 PolarHBondContact O-N 3.18Å; R411-G414 WeakPolarHBondContact O-CA 3.33Å; R411-G414 PolarHBondContact O-N 3.42Å; R411-V417 HydrophobicContact CB-CG2 4.3Å; R411-Y499 HydrophobicContact CB-CD1 4.29Å
412D98.5Very high98.4Very high90 Ų9020.3 Ų20.348%0.48112%0.12SC..Hα-helixtrans-72.7-25.4-175.7-63.5-17.7000112N408 A409 H410 G414N408-D412 WeakPolarHBondContact O-CB 3.4Å; N408-D412 PolarHBondContact O-N 3.42Å; A409-D412 PolarHBondContact O-N 3.13Å; H410-D412 VanDerWaalsContact C-N 3.34Å; H410-D412 PolarHBondContact O-N 2.9Å; D412-G414 PolarHBondContact O-N 2.91Å
413A98.3Very high98.5Very high28 Ų2822.5 Ų22.523%0.23113%0.13CC..THydrogen-bonded Turntrans-75.3-7.4166.700000113.9H307 L309 T311 A409 H410 R411H307-A413 HydrophobicContact CB-CB 3.85Å; L309-A413 HydrophobicContact CD1-CB 3.7Å; L309-A413 HydrophobicContact CD2-CB 4.21Å; L309-A413 HydrophobicContact CG-CB 4.15Å; T311-A413 HydrophobicContact CG2-CB 3.99Å; A409-A413 VanDerWaalsContact O-CB 3.28Å; A409-A413 WeakPolarHBondContact O-CB 3.22Å; A409-A413 PolarHBondContact O-N 2.9Å; H410-A413 PolarHBondContact O-N 3.1Å; R411-A413 VanDerWaalsContact C-N 3.29Å; R411-A413 PolarHBondContact O-N 3.18Å
414G97.9Very high98.4Very high55 Ų5523 Ų2357%0.56713%0.132SC*.THydrogen-bonded Turntrans93.610.2176.200000115.8H410 R411 D412H410-G414 PolarHBondContact O-N 2.78Å; R411-G414 WeakPolarHBondContact O-CA 3.33Å; R411-G414 PolarHBondContact O-N 3.42Å; D412-G414 PolarHBondContact O-N 2.91Å
415A98.3Very high98.3Very high2 Ų224 Ų242%0.01714%0.138CC..  trans-70.9153.2175.300000112.1H410 V417H410-A415 HydrophobicContact CB-CB 4.17Å; H410-A415 VanDerWaalsContact O-CB 3.29Å; H410-A415 WeakPolarHBondContact O-CB 3.42Å; H410-A415 PolarHBondContact O-N 3.26Å; A415-V417 HydrophobicContact CB-CG2 4.23Å; A415-V417 PolarHBondContact O-N 3.09Å
416D98.6Very high98.1Very high66 Ų6620.5 Ų20.535%0.35312%0.123SC..  trans-77.8101168.3-76.2-40.1000109.8P313 F314 R498P313-D416 WeakPolarHBondContact CA-O 3.38Å; P313-D416 HydrophobicContact CB-CB 4.42Å; F314-D416 PolarHBondContact N-O 3.01Å; D416-R498 WeakPolarHBondContact OD1-CD 3.47Å; D416-R498 IonicContact OD1-CZ 3.36Å; D416-R498 IonicContact OD1-NE 2.82Å; D416-R498 IonicContact OD1-NH1 3.69Å; D416-R498 PolarHBondContact OD1-NH1 2.88Å
417V98.8Very high97.9Very high0 Ų023.3 Ų23.30%014%0.138CC..EExtended strand (participates in β ladder)trans-103140.5-177.4-175.30000111.3F314 A407 H410 R411 A415 R498 Y499F314-V417 HydrophobicContact CD1-CG1 4.35Å; F314-V417 HydrophobicContact CD1-CG2 4.5Å; F314-V417 CarbonylContact O-C 3.56Å; F314-V417 VanDerWaalsContact O-CA 3.28Å; F314-V417 WeakPolarHBondContact O-CA 3.26Å; A407-V417 HydrophobicContact CB-CG1 4.13Å; H410-V417 HydrophobicContact CB-CG2 3.68Å; R411-V417 HydrophobicContact CB-CG2 4.3Å; A415-V417 HydrophobicContact CB-CG2 4.23Å; A415-V417 PolarHBondContact O-N 3.09Å; V417-R498 WeakPolarHBondContact O-CG 3.34Å; V417-Y499 HydrophobicContact CG1-CD1 4.17Å; V417-Y499 HydrophobicContact CG1-CG 4.41Å; V417-Y499 WeakPolarHBondContact O-CB 3.5Å; V417-Y499 PolarHBondContact O-N 3.44Å
418F98.9Very high97.5Very high10 Ų1023.6 Ų23.64%0.04414%0.139CC..EExtended strand (participates in β ladder)trans-127.1130.9168.2-58.2-94.4000109.5F314 I315 T316 F482 P488 W496 P497 R498F314-F418 PolarHBondContact O-N 3.27Å; I315-F418 WeakPolarHBondContact CA-O 3.44Å; I315-F418 HydrophobicContact CG1-CB 4.13Å; I315-F418 HydrophobicContact CG1-CD2 4.45Å; T316-F418 PolarHBondContact N-O 3.02Å; F418-F482 HydrophobicContact CD2-CE2 4.2Å; F418-F482 HydrophobicContact CE2-CE2 4.41Å; F418-P488 HydrophobicContact CB-CG 4.47Å; F418-P488 HydrophobicContact CD1-CG 3.75Å; F418-P488 HydrophobicContact CD2-CG 4.41Å; F418-P488 HydrophobicContact CE1-CG 4.07Å; F418-P488 HydrophobicContact CG-CG 3.95Å; F418-W496 HydrophobicContact CB-CZ2 4.29Å; F418-W496 AromaticContact CD1-CD1 3.89Å; F418-W496 HydrophobicContact CD1-CG 4.19Å; F418-P497 WeakPolarHBondContact CD1-O 3.49Å; F418-R498 HydrophobicContact CE1-CB 4.16Å; F418-R498 HydrophobicContact CZ-CB 4.49Å
419L98.9Very high97.2Very high0 Ų022.6 Ų22.60%013%0.134CC..EExtended strand (participates in β ladder)trans-111.8142.5-178.9-175.664000110T316 W496 Y499 Y505 L506 L519T316-L419 HydrophobicContact CG2-CD1 3.9Å; T316-L419 VanDerWaalsContact O-CA 3.29Å; T316-L419 WeakPolarHBondContact O-CA 3.41Å; T316-L419 WeakPolarHBondContact O-CD1 3.28Å; L419-W496 PolarHBondContact O-NE1 3.23Å; L419-Y499 HydrophobicContact CB-CD2 3.73Å; L419-Y499 HydrophobicContact CB-CE2 4.33Å; L419-Y499 HydrophobicContact CB-CG 4.14Å; L419-Y499 HydrophobicContact CD2-CD2 3.77Å; L419-Y499 HydrophobicContact CD2-CE2 3.47Å; L419-Y499 VanDerWaalsContact CD2-CE2 3.47Å; L419-Y499 HydrophobicContact CG-CD2 4.42Å; L419-Y505 CarbonylContact O-C 3.55Å; L419-Y505 VanDerWaalsContact O-CA 3.28Å; L419-Y505 WeakPolarHBondContact O-CA 3.14Å; L419-Y505 VanDerWaalsContact O-CB 3.31Å; L419-Y505 WeakPolarHBondContact O-CB 3.14Å; L419-L506 PolarHBondContact O-N 3.37Å; L419-L519 HydrophobicContact CD1-CD2 4.25Å; L419-L519 HydrophobicContact CD2-CB 4.02Å; L419-L519 HydrophobicContact CD2-CD2 3.94Å; L419-L519 HydrophobicContact CG-CD2 4.19Å
420Y98.9Very high96.9Very high0 Ų027.8 Ų27.80%015%0.154CC..EExtended strand (participates in β ladder)trans-131159.4168.870.8-90000114.1Q224 I315 T316 G317 V318 W479 W496 L506 L508Q224-Y420 WeakPolarHBondContact CB-OH 3.17Å; Q224-Y420 WeakPolarHBondContact CG-OH 3.38Å; I315-Y420 HydrophobicContact CG2-CD1 4.01Å; I315-Y420 HydrophobicContact CG2-CE1 4.17Å; T316-Y420 WeakPolarHBondContact O-CD1 3.3Å; T316-Y420 PolarHBondContact O-N 2.99Å; T316-Y420 VanDerWaalsContact O-N 3.1Å; G317-Y420 WeakPolarHBondContact CA-O 3.24Å; V318-Y420 PolarHBondContact N-O 2.97Å; Y420-W479 HydrophobicContact CD1-CH2 4.33Å; Y420-W479 HydrophobicContact CE1-CH2 4.06Å; Y420-W479 HydrophobicContact CE1-CZ2 4.07Å; Y420-W496 AromaticContact CD1-CH2 3.81Å; Y420-W496 HydrophobicContact CD1-CH2 3.81Å; Y420-W496 AromaticContact CD1-CZ2 3.86Å; Y420-W496 HydrophobicContact CD1-CZ2 3.86Å; Y420-W496 HydrophobicContact CG-CH2 4.15Å; Y420-W496 HydrophobicContact CG-CZ2 4.12Å; Y420-L506 WeakPolarHBondContact CA-O 3.32Å; Y420-L506 VanDerWaalsContact CB-O 3.28Å; Y420-L506 WeakPolarHBondContact CB-O 3.36Å; Y420-L508 HydrophobicContact CD2-CD1 3.86Å; Y420-L508 HydrophobicContact CG-CD1 3.81Å
421E98.7Very high96.3Very high14 Ų1434.7 Ų34.77%0.06519%0.185CC..EExtended strand (participates in β ladder)trans-124.3130.5156.7-169.4-178.7-139.500108.4V318 N320 H423 Y505 L506 S507 L508 L519 R520V318-E421 HydrophobicContact CG2-CG 4.32Å; V318-E421 CarbonylContact O-C 3.31Å; V318-E421 VanDerWaalsContact O-CA 3.24Å; V318-E421 WeakPolarHBondContact O-CA 3.3Å; N320-E421 HydrophobicContact CB-CG 4.19Å; E421-H423 PolarHBondContact O-CD2 3.44Å; E421-H423 IonicContact OE2-CE1 2.75Å; E421-H423 PolarHBondContact OE2-CE1 3Å; E421-H423 VanDerWaalsContact OE2-CE1 3.29Å; E421-H423 IonicContact OE2-NE2 3.94Å; E421-H423 PolarHBondContact OE2-NE2 2.95Å; E421-Y505 HydrophobicContact CB-CD2 4.23Å; E421-Y505 HydrophobicContact CB-CE2 3.82Å; E421-L506 PolarHBondContact N-O 3.4Å; E421-S507 CarbonylContact O-C 3.56Å; E421-S507 WeakPolarHBondContact O-CA 3.46Å; E421-L508 PolarHBondContact O-N 2.93Å; E421-L519 HydrophobicContact CB-CD1 3.78Å; E421-L519 HydrophobicContact CG-CD1 4.11Å; E421-R520 IonicContact OE1-CZ 2.83Å; E421-R520 IonicContact OE1-NE 2.63Å; E421-R520 PolarHBondContact OE1-NE 3.14Å; E421-R520 IonicContact OE1-NH2 3.03Å; E421-R520 PolarHBondContact OE1-NH2 3.25Å; E421-R520 VanDerWaalsContact OE1-NH2 3.11Å
422Y98.7Very high95.8Very high0 Ų036.9 Ų36.90%019%0.193CC..EExtended strand (participates in β ladder)trans-104.5135.1-177.2178.2-92.7000111V318 N319 N320 H424 C439 D443 E444 M447 F471 M475 L508V318-Y422 PolarHBondContact O-N 3.5Å; N319-Y422 WeakPolarHBondContact CA-O 3.04Å; N319-Y422 WeakPolarHBondContact OD1-CB 3.31Å; N320-Y422 PolarHBondContact N-O 3.17Å; Y422-H424 HydrophobicContact CE1-CB 4.3Å; Y422-H424 WeakPolarHBondContact CE1-O 3.19Å; Y422-H424 HydrophobicContact CE2-CB 4.36Å; Y422-H424 PolarHBondContact OH-CD2 2.92Å; Y422-H424 PolarHBondContact OH-O 2.87Å; Y422-C439 HydrophobicContact CD1-CB 4.46Å; Y422-C439 WeakPolarHBondContact CD1-SG 3.49Å; Y422-C439 WeakPolarHBondContact CE1-SG 3.34Å; Y422-D443 HydrophobicContact CE1-CB 4.2Å; Y422-E444 HydrophobicContact CD1-CB 3.58Å; Y422-E444 HydrophobicContact CD2-CB 3.91Å; Y422-E444 HydrophobicContact CE1-CB 3.83Å; Y422-E444 HydrophobicContact CE2-CB 4.09Å; Y422-E444 HydrophobicContact CG-CB 3.67Å; Y422-M447 VanDerWaalsContact OH-CG 3.27Å; Y422-M447 WeakPolarHBondContact OH-CG 3.37Å; Y422-F471 HydrophobicContact CD2-CE1 4.47Å; Y422-F471 HydrophobicContact CD2-CZ 4.24Å; Y422-F471 AromaticContact CE2-CE1 3.43Å; Y422-F471 HydrophobicContact CE2-CE1 3.43Å; Y422-F471 VanDerWaalsContact CE2-CE1 3.43Å; Y422-F471 AromaticContact CE2-CZ 3.6Å; Y422-F471 HydrophobicContact CE2-CZ 3.6Å; Y422-F471 AromaticContact CZ-CE1 3.89Å; Y422-M475 HydrophobicContact CD2-CE 3.81Å; Y422-M475 HydrophobicContact CD2-SD 4.34Å; Y422-M475 HydrophobicContact CE2-CE 3.88Å; Y422-M475 HydrophobicContact CE2-SD 4.27Å; Y422-L508 HydrophobicContact CD2-CB 3.81Å
423H97.8Very high95.5Very high50 Ų5033.5 Ų33.523%0.23117%0.173CC..  trans-121.6-15.4-165.4-75.7-103000114.7N320 E421 S507 L508 D509N320-H423 PolarHBondContact ND2-ND1 2.87Å; E421-H423 PolarHBondContact O-CD2 3.44Å; E421-H423 IonicContact OE2-CE1 2.75Å; E421-H423 PolarHBondContact OE2-CE1 3Å; E421-H423 VanDerWaalsContact OE2-CE1 3.29Å; E421-H423 IonicContact OE2-NE2 3.94Å; E421-H423 PolarHBondContact OE2-NE2 2.95Å; H423-S507 PolarHBondContact CD2-OG 3.17Å; H423-S507 PolarHBondContact NE2-OG 3.38Å; H423-L508 PolarHBondContact N-O 3.11Å; H423-D509 HydrophobicContact CB-CB 4.07Å; H423-D509 WeakPolarHBondContact CB-OD2 3.39Å
424H97.3Very high95.3Very high11 Ų1133.9 Ų33.95%0.05117%0.174CC..  trans-83.2126.1-172.5176.159000113.2Y422 P426 C439 E468 F471 L510Y422-H424 HydrophobicContact CE1-CB 4.3Å; Y422-H424 WeakPolarHBondContact CE1-O 3.19Å; Y422-H424 HydrophobicContact CE2-CB 4.36Å; Y422-H424 PolarHBondContact OH-CD2 2.92Å; Y422-H424 PolarHBondContact OH-O 2.87Å; H424-P426 WeakPolarHBondContact O-CD 3.5Å; H424-C439 PolarHBondContact O-SG 2.93Å; H424-E468 IonicContact CD2-OE1 3.49Å; H424-E468 IonicContact CE1-OE1 2.78Å; H424-E468 PolarHBondContact CE1-OE1 3.17Å; H424-E468 VanDerWaalsContact CE1-OE1 3.23Å; H424-E468 IonicContact NE2-OE1 3.42Å; H424-E468 PolarHBondContact NE2-OE1 3.42Å; H424-F471 HydrophobicContact CB-CD1 4.48Å; H424-F471 HydrophobicContact CB-CE1 3.74Å; H424-F471 HydrophobicContact CB-CZ 4.37Å; H424-F471 AromaticContact CD2-CE1 4Å; H424-L510 HydrophobicContact CB-CB 4.2Å; H424-L510 VanDerWaalsContact CE1-CD2 3.49Å; H424-L510 WeakPolarHBondContact CE1-CD2 3.41Å; H424-L510 WeakPolarHBondContact ND1-CB 3.46Å
425V95.8Very high95.1Very high29 Ų2937.5 Ų37.518%0.17619%0.19CC..  trans-88.7114.3173-173.10000109.9N427 Q429 K430 K438V425-N427 PolarHBondContact O-N 3.19Å; V425-Q429 HydrophobicContact CG1-CB 4.5Å; V425-K430 HydrophobicContact CG1-CG 3.97Å; V425-K430 WeakPolarHBondContact O-CE 3.33Å; V425-K438 VanDerWaalsContact CG2-O 3.31Å; V425-K438 WeakPolarHBondContact CG2-O 3.31Å
426P94.4Very high94.9Very high0 Ų039.3 Ų39.30%020%0.198CC..  trans-55.4136.6178.5-24.333.8000111.9H424 F428 Q429 K430 D443 F446 M447 E468H424-P426 WeakPolarHBondContact O-CD 3.5Å; P426-F428 VanDerWaalsContact C-N 3.27Å; P426-F428 HydrophobicContact CB-CD1 3.71Å; P426-F428 HydrophobicContact CB-CE1 3.37Å; P426-F428 HydrophobicContact CB-CZ 4.13Å; P426-F428 HydrophobicContact CG-CE1 4.27Å; P426-F428 PolarHBondContact O-N 3.31Å; P426-Q429 HydrophobicContact CB-CG 4.17Å; P426-Q429 HydrophobicContact CG-CG 4.42Å; P426-Q429 WeakPolarHBondContact O-CB 3.3Å; P426-Q429 PolarHBondContact O-N 2.94Å; P426-K430 PolarHBondContact O-N 2.74Å; P426-D443 HydrophobicContact CG-CB 4.12Å; P426-F446 HydrophobicContact CG-CD2 4.07Å; P426-M447 HydrophobicContact CB-CE 4.32Å; P426-M447 HydrophobicContact CG-CE 4.43Å; P426-E468 WeakPolarHBondContact CA-OE1 3.45Å
427N93.1Very high94.9Very high58 Ų5836.8 Ų36.831%0.3118%0.184SC..THydrogen-bonded Turntrans-60.5-37.7-169.7-173.161.2000112.8V425 Q429 K430 P465 E468V425-N427 PolarHBondContact O-N 3.19Å; N427-Q429 PolarHBondContact O-N 3.44Å; N427-K430 WeakPolarHBondContact O-CB 3.29Å; N427-K430 PolarHBondContact O-N 3.17Å; N427-P465 HydrophobicContact CB-CG 4.04Å; N427-E468 WeakPolarHBondContact CB-OE1 3.23Å; N427-E468 PolarHBondContact N-OE1 3.14Å; N427-E468 PolarHBondContact N-OE2 2.88Å
428F91.2Very high94.7Very high7 Ų742.5 Ų42.53%0.03121%0.209CC..THydrogen-bonded Turntrans-66-24.6177.174.5-89.2000113L80 P426 F446 L460 D462L80-F428 WeakPolarHBondContact O-CE2 3.46Å; P426-F428 VanDerWaalsContact C-N 3.27Å; P426-F428 HydrophobicContact CB-CD1 3.71Å; P426-F428 HydrophobicContact CB-CE1 3.37Å; P426-F428 HydrophobicContact CB-CZ 4.13Å; P426-F428 HydrophobicContact CG-CE1 4.27Å; P426-F428 PolarHBondContact O-N 3.31Å; F428-F446 HydrophobicContact CE1-CB 4.5Å; F428-F446 HydrophobicContact CE1-CD1 4.39Å; F428-F446 HydrophobicContact CE1-CD2 4.23Å; F428-F446 HydrophobicContact CE1-CG 4.12Å; F428-F446 HydrophobicContact CE2-CE1 4.41Å; F428-F446 HydrophobicContact CE2-CZ 4.25Å; F428-F446 AromaticContact CZ-CD1 3.79Å; F428-F446 HydrophobicContact CZ-CD1 3.79Å; F428-F446 AromaticContact CZ-CD2 3.74Å; F428-F446 HydrophobicContact CZ-CD2 3.74Å; F428-F446 AromaticContact CZ-CE1 3.75Å; F428-F446 HydrophobicContact CZ-CE1 3.75Å; F428-F446 AromaticContact CZ-CE2 3.72Å; F428-F446 HydrophobicContact CZ-CE2 3.72Å; F428-F446 AromaticContact CZ-CG 3.79Å; F428-F446 HydrophobicContact CZ-CG 3.79Å; F428-F446 AromaticContact CZ-CZ 3.72Å; F428-F446 HydrophobicContact CZ-CZ 3.72Å; F428-L460 HydrophobicContact CD1-CD1 4.24Å; F428-L460 HydrophobicContact CD1-CD2 4.38Å; F428-L460 HydrophobicContact CE1-CD1 4.12Å; F428-L460 HydrophobicContact CE1-CD2 3.81Å; F428-L460 HydrophobicContact CE2-CD2 4.18Å; F428-L460 HydrophobicContact CZ-CD2 3.7Å; F428-D462 HydrophobicContact CB-CB 3.87Å
429Q92.8Very high94.6Very high0 Ų042 Ų420%021%0.207CC..G310 helixtrans-78.1-26.8176.9-68.5-66.11.600113K79 L80 V425 P426 N427 K431 R432 R433K79-Q429 PolarHBondContact O-NE2 3.01Å; K79-Q429 PolarHBondContact O-OE1 3.48Å; L80-Q429 VanDerWaalsContact C-NE2 3.33Å; L80-Q429 PolarHBondContact O-NE2 3.27Å; L80-Q429 VanDerWaalsContact O-NE2 3.1Å; V425-Q429 HydrophobicContact CG1-CB 4.5Å; P426-Q429 HydrophobicContact CB-CG 4.17Å; P426-Q429 HydrophobicContact CG-CG 4.42Å; P426-Q429 WeakPolarHBondContact O-CB 3.3Å; P426-Q429 PolarHBondContact O-N 2.94Å; N427-Q429 PolarHBondContact O-N 3.44Å; Q429-K431 PolarHBondContact O-N 3.49Å; Q429-K431 VanDerWaalsContact O-N 3.08Å; Q429-R432 PolarHBondContact O-N 2.78Å; Q429-R433 VanDerWaalsContact CD-CZ 3.45Å; Q429-R433 VanDerWaalsContact NE2-NH2 3.16Å; Q429-R433 PolarHBondContact O-N 3.37Å; Q429-R433 VanDerWaalsContact O-N 3.11Å
430K90.4Very high94.5Very high119 Ų11942 Ų4252%0.51721%0.207SC..G310 helixtrans-59.3-24.7-179.8-64177-175165.30113.4V425 P426 N427V425-K430 HydrophobicContact CG1-CG 3.97Å; V425-K430 WeakPolarHBondContact O-CE 3.33Å; P426-K430 PolarHBondContact O-N 2.74Å; N427-K430 WeakPolarHBondContact O-CB 3.29Å; N427-K430 PolarHBondContact O-N 3.17Å
431K86.8Confident94.5Very high146 Ų14642.3 Ų42.364%0.63521%0.208SC*.G310 helixtrans-86.2-18.3175.9-59.7177.7-166.8156.90113.3Q429 D462Q429-K431 PolarHBondContact O-N 3.49Å; Q429-K431 VanDerWaalsContact O-N 3.08Å; K431-D462 IonicContact NZ-OD1 3.81Å; K431-D462 PolarHBondContact NZ-OD1 3.49Å; K431-D462 IonicContact NZ-OD2 3.29Å; K431-D462 PolarHBondContact NZ-OD2 2.66Å
432R88.3Confident94.4Very high90 Ų9042.3 Ų42.334%0.3421%0.209SC..THydrogen-bonded Turntrans-100.2-21.9-172.3-68.8-176.5169.1-91.2-11.3113.3D78 Q429D78-R432 PolarHBondContact O-NH1 2.81Å; D78-R432 IonicContact OD1-NH1 2.81Å; D78-R432 PolarHBondContact OD1-NH1 2.79Å; Q429-R432 PolarHBondContact O-N 2.78Å
433R91.6Very high94.3Very high18 Ų1842.3 Ų42.37%0.06821%0.209CC..SBendtrans-121.1152-173.6-51.4-172.5-173.8151.2-4111.5F325 Q429 V437 D440 D443F325-R433 HydrophobicContact CD1-CB 4.33Å; F325-R433 HydrophobicContact CD1-CG 3.56Å; F325-R433 HydrophobicContact CD2-CB 4.39Å; F325-R433 HydrophobicContact CD2-CG 4.46Å; F325-R433 HydrophobicContact CE1-CB 4.47Å; F325-R433 HydrophobicContact CE1-CG 3.64Å; F325-R433 HydrophobicContact CG-CB 4.27Å; F325-R433 HydrophobicContact CG-CG 3.99Å; F325-R433 HydrophobicContact CZ-CG 4.12Å; Q429-R433 VanDerWaalsContact CD-CZ 3.45Å; Q429-R433 VanDerWaalsContact NE2-NH2 3.16Å; Q429-R433 PolarHBondContact O-N 3.37Å; Q429-R433 VanDerWaalsContact O-N 3.11Å; R433-V437 HydrophobicContact CB-CB 4.35Å; R433-V437 HydrophobicContact CB-CG2 4.38Å; R433-D440 IonicContact CZ-OD2 3.77Å; R433-D440 IonicContact NH1-OD2 3.57Å; R433-D443 IonicContact CZ-OD1 2.83Å; R433-D443 VanDerWaalsContact CZ-OD1 3.25Å; R433-D443 IonicContact NH1-OD1 3.91Å; R433-D443 PolarHBondContact NH1-OD1 2.66Å; R433-D443 IonicContact NH1-OD2 3.11Å; R433-D443 PolarHBondContact NH1-OD2 3.17Å; R433-D443 IonicContact NH2-OD1 3.32Å; R433-D443 PolarHBondContact NH2-OD1 3.33Å
434P93.8Very high94.3Very high37 Ų3740 Ų4024%0.2420%0.198CC..  trans-55.5147.7173.5-24.833.8000112.5F325 F436 V437F325-P434 HydrophobicContact CD2-CG 4.49Å; F325-P434 HydrophobicContact CE2-CG 4.47Å; P434-F436 HydrophobicContact CB-CD1 3.45Å; P434-F436 VanDerWaalsContact CB-CD1 3.45Å; P434-F436 HydrophobicContact CB-CE1 3.21Å; P434-F436 HydrophobicContact CB-CG 4.36Å; P434-F436 HydrophobicContact CB-CZ 3.93Å; P434-F436 HydrophobicContact CG-CD1 4.45Å; P434-F436 HydrophobicContact CG-CE1 3.74Å; P434-F436 HydrophobicContact CG-CZ 4.11Å; P434-F436 PolarHBondContact O-N 3.26Å; P434-F436 VanDerWaalsContact O-N 3.11Å; P434-V437 HydrophobicContact CB-CG2 4.18Å; P434-V437 HydrophobicContact CG-CG2 4.39Å; P434-V437 WeakPolarHBondContact O-CB 3.38Å; P434-V437 VanDerWaalsContact O-CG2 3.31Å; P434-V437 WeakPolarHBondContact O-CG2 3.49Å; P434-V437 PolarHBondContact O-N 3.48Å
435S94.4Very high94.3Very high130 Ų13039.7 Ų39.791%0.90920%0.197SC*.THydrogen-bonded Turntrans-66.3-15.2-175.257.10000115.3V437S435-V437 VanDerWaalsContact C-N 3.26Å
436F94.9Very high94.3Very high41 Ų4138.6 Ų38.618%0.1819%0.19CC..THydrogen-bonded Turntrans-76-17.1174.369.6-101.3000112.5W336 R337 R387 P434 K438W336-F436 HydrophobicContact CH2-CE2 4.18Å; W336-F436 HydrophobicContact CH2-CZ 4.06Å; W336-F436 HydrophobicContact CZ3-CE2 4.13Å; W336-F436 HydrophobicContact CZ3-CZ 4.05Å; R337-F436 HydrophobicContact CB-CE1 4.32Å; R337-F436 HydrophobicContact CB-CZ 4.41Å; R387-F436 VanDerWaalsContact CZ-CD1 3.44Å; R387-F436 VanDerWaalsContact CZ-CG 3.48Å; P434-F436 HydrophobicContact CB-CD1 3.45Å; P434-F436 VanDerWaalsContact CB-CD1 3.45Å; P434-F436 HydrophobicContact CB-CE1 3.21Å; P434-F436 HydrophobicContact CB-CG 4.36Å; P434-F436 HydrophobicContact CB-CZ 3.93Å; P434-F436 HydrophobicContact CG-CD1 4.45Å; P434-F436 HydrophobicContact CG-CE1 3.74Å; P434-F436 HydrophobicContact CG-CZ 4.11Å; P434-F436 PolarHBondContact O-N 3.26Å; P434-F436 VanDerWaalsContact O-N 3.11Å; F436-K438 PolarHBondContact O-N 3.07Å
437V96.7Very high94.4Very high12 Ų1238.7 Ų38.77%0.07319%0.191CC..  trans-75.4112.9-179.6-1730000108.3G324 F325 R433 P434 S435 D440G324-V437 WeakPolarHBondContact O-CG2 3.3Å; F325-V437 HydrophobicContact CB-CG1 3.81Å; F325-V437 HydrophobicContact CB-CG2 3.98Å; R433-V437 HydrophobicContact CB-CB 4.35Å; R433-V437 HydrophobicContact CB-CG2 4.38Å; P434-V437 HydrophobicContact CB-CG2 4.18Å; P434-V437 HydrophobicContact CG-CG2 4.39Å; P434-V437 WeakPolarHBondContact O-CB 3.38Å; P434-V437 VanDerWaalsContact O-CG2 3.31Å; P434-V437 WeakPolarHBondContact O-CG2 3.49Å; P434-V437 PolarHBondContact O-N 3.48Å; S435-V437 VanDerWaalsContact C-N 3.26Å; V437-D440 HydrophobicContact CG1-CB 3.88Å
438K96.4Very high94.6Very high121 Ų12136 Ų3653%0.52618%0.176SC..  trans-75.9-141.4168.7-50174.1-174.9168.40109.8N320 H321 V425 F436 D440N320-K438 VanDerWaalsContact OD1-CB 3.3Å; N320-K438 WeakPolarHBondContact OD1-CB 3.34Å; H321-K438 HydrophobicContact CB-CB 3.79Å; H321-K438 HydrophobicContact CB-CG 4.49Å; H321-K438 PolarHBondContact ND1-N 3.21Å; H321-K438 VanDerWaalsContact ND1-N 3.14Å; V425-K438 VanDerWaalsContact CG2-O 3.31Å; V425-K438 WeakPolarHBondContact CG2-O 3.31Å; F436-K438 PolarHBondContact O-N 3.07Å; K438-D440 PolarHBondContact O-N 3.11Å; K438-D440 VanDerWaalsContact O-N 3.17Å
439C95.8Very high94.8Very high0 Ų035.8 Ų35.80%018%0.175CC..SBendtrans-75.5107.2177-170.20000110.2N319 N320 H321 Y422 H424 D443N319-C439 HydrophobicContact CB-CB 4.39Å; N319-C439 WeakPolarHBondContact CB-O 3.38Å; N320-C439 WeakPolarHBondContact OD1-CA 3.33Å; N320-C439 WeakPolarHBondContact OD1-CB 3.3Å; N320-C439 PolarHBondContact OD1-N 3.43Å; N320-C439 PolarHBondContact OD1-O 3.28Å; H321-C439 CarbonylContact C-O 3.46Å; H321-C439 VanDerWaalsContact C-O 3.31Å; H321-C439 VanDerWaalsContact CA-O 3.29Å; H321-C439 WeakPolarHBondContact CA-O 3.35Å; H321-C439 WeakPolarHBondContact CB-O 3.31Å; H321-C439 PolarHBondContact N-O 3.17Å; Y422-C439 HydrophobicContact CD1-CB 4.46Å; Y422-C439 WeakPolarHBondContact CD1-SG 3.49Å; Y422-C439 WeakPolarHBondContact CE1-SG 3.34Å; H424-C439 PolarHBondContact O-SG 2.93Å; C439-D443 WeakPolarHBondContact SG-CB 3.19Å
440D97.7Very high95Very high0 Ų035.8 Ų35.80%018%0.175CC..  trans-84.3171.1-174.9-167.535.6000111.6N319 H321 G324 F325 V326 R433 V437 K438 L442 D443N319-D440 PolarHBondContact ND2-O 2.88Å; H321-D440 WeakPolarHBondContact O-CA 3.42Å; G324-D440 PolarHBondContact N-OD1 2.99Å; F325-D440 VanDerWaalsContact CB-OD2 3.3Å; F325-D440 WeakPolarHBondContact CB-OD2 3.45Å; F325-D440 PolarHBondContact N-OD1 2.92Å; V326-D440 WeakPolarHBondContact CB-OD2 3.26Å; V326-D440 VanDerWaalsContact CG2-OD2 3.31Å; V326-D440 WeakPolarHBondContact CG2-OD2 3.5Å; V326-D440 PolarHBondContact N-OD2 2.8Å; R433-D440 IonicContact CZ-OD2 3.77Å; R433-D440 IonicContact NH1-OD2 3.57Å; V437-D440 HydrophobicContact CG1-CB 3.88Å; K438-D440 PolarHBondContact O-N 3.11Å; K438-D440 VanDerWaalsContact O-N 3.17Å; D440-L442 PolarHBondContact O-N 2.88Å; D440-D443 PolarHBondContact N-OD2 2.64Å; D440-D443 WeakPolarHBondContact O-CB 3.32Å; D440-D443 PolarHBondContact O-N 3.47Å
441H98Very high95.2Very high5 Ų530.4 Ų30.42%0.02315%0.152CC..THydrogen-bonded Turntrans-51.2133.9171-165.160.5000112.1S199 S225 E322 V327 F399S199-H441 WeakPolarHBondContact CB-NE2 3.26Å; S199-H441 PolarHBondContact OG-NE2 3.18Å; S225-H441 PolarHBondContact O-CE1 2.89Å; E322-H441 WeakPolarHBondContact OE2-CA 3.25Å; E322-H441 WeakPolarHBondContact OE2-CB 3.35Å; E322-H441 IonicContact OE2-CE1 2.78Å; E322-H441 IonicContact OE2-CG 2.67Å; E322-H441 IonicContact OE2-ND1 3.4Å; E322-H441 PolarHBondContact OE2-ND1 3.17Å; V327-H441 HydrophobicContact CG2-CB 3.81Å; F399-H441 AromaticContact CE1-CE1 3.37Å; F399-H441 WeakPolarHBondContact CE1-CE1 3.4Å; F399-H441 AromaticContact CE1-ND1 3.8Å; F399-H441 AromaticContact CZ-CE1 3.69Å; F399-H441 AromaticContact CZ-ND1 3.88Å
442L96.3Very high95.6Very high15 Ų1524.1 Ų24.18%0.07913%0.126CC..THydrogen-bonded Turntrans78.5-4.1179.5-48.2175.7000116.9L76 L80 V198 D440 E444 V445L76-L442 HydrophobicContact CD1-CD1 4.43Å; L80-L442 HydrophobicContact CD1-CD1 3.99Å; L80-L442 HydrophobicContact CD2-CB 3.96Å; L80-L442 HydrophobicContact CD2-CD1 3.75Å; L80-L442 HydrophobicContact CD2-CG 4.45Å; L80-L442 HydrophobicContact CG-CD1 4.4Å; V198-L442 HydrophobicContact CB-CD2 4.17Å; V198-L442 HydrophobicContact CG1-CD2 3.69Å; V198-L442 HydrophobicContact CG2-CD2 3.37Å; D440-L442 PolarHBondContact O-N 2.88Å; L442-E444 VanDerWaalsContact C-N 3.29Å; L442-E444 VanDerWaalsContact C-OE2 3.29Å; L442-E444 PolarHBondContact O-N 3.13Å; L442-V445 HydrophobicContact CB-CG2 4.46Å; L442-V445 WeakPolarHBondContact O-CB 3.33Å; L442-V445 WeakPolarHBondContact O-CG2 3.41Å; L442-V445 PolarHBondContact O-N 3.11Å
443D97.2Very high96Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-64.8-29.2-175.5-81-11.9000114.3Y422 P426 R433 C439 D440 V445 F446Y422-D443 HydrophobicContact CE1-CB 4.2Å; P426-D443 HydrophobicContact CG-CB 4.12Å; R433-D443 IonicContact CZ-OD1 2.83Å; R433-D443 VanDerWaalsContact CZ-OD1 3.25Å; R433-D443 IonicContact NH1-OD1 3.91Å; R433-D443 PolarHBondContact NH1-OD1 2.66Å; R433-D443 IonicContact NH1-OD2 3.11Å; R433-D443 PolarHBondContact NH1-OD2 3.17Å; R433-D443 IonicContact NH2-OD1 3.32Å; R433-D443 PolarHBondContact NH2-OD1 3.33Å; C439-D443 WeakPolarHBondContact SG-CB 3.19Å; D440-D443 PolarHBondContact N-OD2 2.64Å; D440-D443 WeakPolarHBondContact O-CB 3.32Å; D440-D443 PolarHBondContact O-N 3.47Å; D443-V445 VanDerWaalsContact C-N 3.29Å; D443-V445 PolarHBondContact O-N 2.82Å; D443-F446 WeakPolarHBondContact O-CD2 3.39Å
444E97.8Very high96.2Very high0 Ų019.7 Ų19.70%011%0.111CC..Hα-helixtrans-71.7-26.7178.884.2-63.1167.700112.3V198 Q224 N319 Y422 L442 F446 M447 V448V198-E444 WeakPolarHBondContact CG2-OE1 3.34Å; Q224-E444 WeakPolarHBondContact CB-OE1 3.32Å; Q224-E444 PolarHBondContact NE2-OE1 3.29Å; N319-E444 PolarHBondContact ND2-OE2 2.95Å; N319-E444 PolarHBondContact OD1-OE2 2.83Å; Y422-E444 HydrophobicContact CD1-CB 3.58Å; Y422-E444 HydrophobicContact CD2-CB 3.91Å; Y422-E444 HydrophobicContact CE1-CB 3.83Å; Y422-E444 HydrophobicContact CE2-CB 4.09Å; Y422-E444 HydrophobicContact CG-CB 3.67Å; L442-E444 VanDerWaalsContact C-N 3.29Å; L442-E444 VanDerWaalsContact C-OE2 3.29Å; L442-E444 PolarHBondContact O-N 3.13Å; E444-F446 PolarHBondContact O-N 3.12Å; E444-M447 PolarHBondContact O-N 2.82Å; E444-M447 VanDerWaalsContact O-N 3.12Å; E444-V448 WeakPolarHBondContact O-CG2 3.13Å; E444-V448 PolarHBondContact O-N 3.32Å
445V96.6Very high96.1Very high6 Ų620.9 Ų20.94%0.03612%0.118CC..Hα-helixtrans-58.9-36.9-178.1-178.50000111.3W116 Y130 V198 L442 D443 M447 V448 Q449W116-V445 HydrophobicContact CH2-CG1 4.05Å; W116-V445 HydrophobicContact CH2-CG2 4.31Å; W116-V445 HydrophobicContact CZ2-CG1 4.26Å; Y130-V445 HydrophobicContact CD1-CG1 4.43Å; Y130-V445 HydrophobicContact CE1-CG1 4.02Å; V198-V445 HydrophobicContact CB-CG2 3.89Å; V198-V445 HydrophobicContact CG1-CG2 3.96Å; V198-V445 HydrophobicContact CG2-CG2 3.69Å; L442-V445 HydrophobicContact CB-CG2 4.46Å; L442-V445 WeakPolarHBondContact O-CB 3.33Å; L442-V445 WeakPolarHBondContact O-CG2 3.41Å; L442-V445 PolarHBondContact O-N 3.11Å; D443-V445 VanDerWaalsContact C-N 3.29Å; D443-V445 PolarHBondContact O-N 2.82Å; V445-M447 VanDerWaalsContact C-N 3.31Å; V445-M447 PolarHBondContact O-N 2.84Å; V445-V448 PolarHBondContact O-N 3.16Å; V445-Q449 HydrophobicContact CG1-CG 4.13Å; V445-Q449 WeakPolarHBondContact O-CB 3.34Å; V445-Q449 PolarHBondContact O-N 2.83Å
446F95.8Very high95.7Very high6 Ų616.4 Ų16.43%0.0269%0.085CC..Hα-helixtrans-62.1-40.3179.9-58.9-67.4000112.1L80 L82 P426 F428 D443 E444 G450 Y451 L460L80-F446 HydrophobicContact CB-CZ 4.13Å; L80-F446 HydrophobicContact CD2-CE2 4.5Å; L80-F446 HydrophobicContact CD2-CZ 4Å; L80-F446 WeakPolarHBondContact O-CZ 3.42Å; L82-F446 HydrophobicContact CD2-CD1 4.5Å; L82-F446 HydrophobicContact CD2-CE1 3.9Å; L82-F446 HydrophobicContact CG-CE1 4.19Å; P426-F446 HydrophobicContact CG-CD2 4.07Å; F428-F446 HydrophobicContact CE1-CB 4.5Å; F428-F446 HydrophobicContact CE1-CD1 4.39Å; F428-F446 HydrophobicContact CE1-CD2 4.23Å; F428-F446 HydrophobicContact CE1-CG 4.12Å; F428-F446 HydrophobicContact CE2-CE1 4.41Å; F428-F446 HydrophobicContact CE2-CZ 4.25Å; F428-F446 AromaticContact CZ-CD1 3.79Å; F428-F446 HydrophobicContact CZ-CD1 3.79Å; F428-F446 AromaticContact CZ-CD2 3.74Å; F428-F446 HydrophobicContact CZ-CD2 3.74Å; F428-F446 AromaticContact CZ-CE1 3.75Å; F428-F446 HydrophobicContact CZ-CE1 3.75Å; F428-F446 AromaticContact CZ-CE2 3.72Å; F428-F446 HydrophobicContact CZ-CE2 3.72Å; F428-F446 AromaticContact CZ-CG 3.79Å; F428-F446 HydrophobicContact CZ-CG 3.79Å; F428-F446 AromaticContact CZ-CZ 3.72Å; F428-F446 HydrophobicContact CZ-CZ 3.72Å; D443-F446 WeakPolarHBondContact O-CD2 3.39Å; E444-F446 PolarHBondContact O-N 3.12Å; F446-G450 PolarHBondContact O-N 3.38Å; F446-Y451 HydrophobicContact CD1-CD2 4.15Å; F446-Y451 HydrophobicContact CD1-CG 4.19Å; F446-Y451 PolarHBondContact O-N 2.93Å; F446-L460 HydrophobicContact CD1-CD2 3.88Å; F446-L460 HydrophobicContact CE1-CD2 4.26Å
447M97.1Very high95.5Very high2 Ų215.8 Ų15.81%0.018%0.082CC..Hα-helixtrans-77.5-40179.5-59-52.6173.400111.6Y422 P426 E444 V445 G450 E468 F471 S472 M475Y422-M447 VanDerWaalsContact OH-CG 3.27Å; Y422-M447 WeakPolarHBondContact OH-CG 3.37Å; P426-M447 HydrophobicContact CB-CE 4.32Å; P426-M447 HydrophobicContact CG-CE 4.43Å; E444-M447 PolarHBondContact O-N 2.82Å; E444-M447 VanDerWaalsContact O-N 3.12Å; V445-M447 VanDerWaalsContact C-N 3.31Å; V445-M447 PolarHBondContact O-N 2.84Å; M447-G450 PolarHBondContact O-N 2.83Å; M447-E468 HydrophobicContact CE-CB 3.94Å; M447-E468 HydrophobicContact CE-CG 4.06Å; M447-F471 HydrophobicContact CG-CD1 4.02Å; M447-F471 HydrophobicContact CG-CE1 4.19Å; M447-F471 HydrophobicContact SD-CD1 4.37Å; M447-S472 PolarHBondContact O-OG 3.2Å; M447-M475 HydrophobicContact CB-CB 4.11Å; M447-M475 HydrophobicContact CB-CG 3.86Å
448V97.4Very high95.2Very high0 Ų015.2 Ų15.20%08%0.079CC..Hα-helixtrans-67.3-42.7179.5170.70000112.3E444 V445 G450 M475 M476 W479E444-V448 WeakPolarHBondContact O-CG2 3.13Å; E444-V448 PolarHBondContact O-N 3.32Å; V445-V448 PolarHBondContact O-N 3.16Å; V448-G450 VanDerWaalsContact C-N 3.32Å; V448-M475 HydrophobicContact CG2-CB 4.47Å; V448-M475 HydrophobicContact CG2-CE 3.65Å; V448-M476 VanDerWaalsContact O-CG 3.31Å; V448-M476 WeakPolarHBondContact O-CG 3.34Å; V448-W479 VanDerWaalsContact CG1-CD1 3.43Å; V448-W479 HydrophobicContact CG1-CD2 4.03Å; V448-W479 HydrophobicContact CG1-CG 3.82Å; V448-W479 HydrophobicContact CG2-CD2 3.96Å; V448-W479 HydrophobicContact CG2-CE3 4.21Å; V448-W479 HydrophobicContact CG2-CH2 3.95Å; V448-W479 HydrophobicContact CG2-CZ2 3.65Å; V448-W479 HydrophobicContact CG2-CZ3 4.21Å
449Q95.7Very high94.9Very high4 Ų412.1 Ų12.12%0.0197%0.068CC..THydrogen-bonded Turntrans-85.3-6179.8-67.3-160.541.600113.5V445 Y451V445-Q449 HydrophobicContact CG1-CG 4.13Å; V445-Q449 WeakPolarHBondContact O-CB 3.34Å; V445-Q449 PolarHBondContact O-N 2.83Å; Q449-Y451 HydrophobicContact CB-CD2 3.86Å; Q449-Y451 HydrophobicContact CB-CE2 3.78Å
450G96.4Very high94.7Very high0 Ų013.1 Ų13.10%07%0.073CC..THydrogen-bonded Turntrans73.937.2174.800000113.7A134 F446 M447 V448 C452 F453 S472A134-G450 WeakPolarHBondContact CB-O 3.32Å; F446-G450 PolarHBondContact O-N 3.38Å; M447-G450 PolarHBondContact O-N 2.83Å; V448-G450 VanDerWaalsContact C-N 3.32Å; G450-C452 PolarHBondContact O-N 3.43Å; G450-F453 PolarHBondContact O-N 3.04Å; G450-S472 WeakPolarHBondContact CA-OG 3.33Å
451Y95.6Very high94Very high5 Ų515.1 Ų15.12%0.029%0.085CC..THydrogen-bonded Turntrans-59.5-20.3-179.6-87.6-93.9000113.7L82 S129 Y130 F446 Q449 F453 T454 A458 L460L82-Y451 HydrophobicContact CD2-CD1 3.77Å; L82-Y451 HydrophobicContact CD2-CE1 3.38Å; S129-Y451 PolarHBondContact O-OH 2.9Å; Y130-Y451 WeakPolarHBondContact CA-OH 3.47Å; Y130-Y451 WeakPolarHBondContact CD1-OH 3.1Å; F446-Y451 HydrophobicContact CD1-CD2 4.15Å; F446-Y451 HydrophobicContact CD1-CG 4.19Å; F446-Y451 PolarHBondContact O-N 2.93Å; Q449-Y451 HydrophobicContact CB-CD2 3.86Å; Q449-Y451 HydrophobicContact CB-CE2 3.78Å; Y451-F453 PolarHBondContact O-N 2.95Å; Y451-T454 PolarHBondContact O-OG1 3.38Å; Y451-A458 HydrophobicContact CE1-CB 4.2Å; Y451-L460 HydrophobicContact CD1-CD2 4.16Å; Y451-L460 HydrophobicContact CG-CD2 4.29Å
452C95.3Very high93.5Very high14 Ų1417.5 Ų17.510%0.09510%0.098CC..THydrogen-bonded Turntrans-63.4-17.4170.4-62.50000113.7G450 C464 E469G450-C452 PolarHBondContact O-N 3.43Å; C452-C464 WeakPolarHBondContact CA-SG 3.34Å; C452-C464 HydrophobicContact CB-CB 3.63Å; C452-C464 WeakPolarHBondContact CB-SG 3.42Å; C452-C464 WeakPolarHBondContact SG-CB 3.45Å; C452-C464 CovalentContact SG-SG 2.04Å; C452-C464 PolarHBondContact SG-SG 2.99Å; C452-E469 HydrophobicContact CB-CG 4.14Å
453F96.4Very high93.1Very high2 Ų221 Ų211%0.00913%0.129CC..SBendtrans-117.3-4.9-173.2-48-67.4000114.5V18 K19 A134 Y138 G450 Y451 E469 K473 M476V18-F453 HydrophobicContact CG1-CB 4.07Å; K19-F453 HydrophobicContact CB-CB 4.33Å; K19-F453 PolarHBondContact N-O 3.2Å; A134-F453 HydrophobicContact CB-CB 3.94Å; Y138-F453 HydrophobicContact CD2-CD2 4.38Å; Y138-F453 HydrophobicContact CD2-CG 4.49Å; Y138-F453 HydrophobicContact CE2-CB 3.77Å; Y138-F453 HydrophobicContact CE2-CD1 4.11Å; Y138-F453 AromaticContact CE2-CD2 3.92Å; Y138-F453 HydrophobicContact CE2-CD2 3.92Å; Y138-F453 AromaticContact CE2-CG 3.65Å; Y138-F453 HydrophobicContact CE2-CG 3.65Å; Y138-F453 AromaticContact CZ-CD1 3.86Å; Y138-F453 AromaticContact CZ-CG 3.85Å; Y138-F453 VanDerWaalsContact OH-CD1 3.32Å; Y138-F453 WeakPolarHBondContact OH-CD1 3.48Å; G450-F453 PolarHBondContact O-N 3.04Å; Y451-F453 PolarHBondContact O-N 2.95Å; F453-E469 HydrophobicContact CE1-CB 3.92Å; F453-E469 HydrophobicContact CE1-CG 4.05Å; F453-E469 HydrophobicContact CZ-CB 3.83Å; F453-E469 HydrophobicContact CZ-CG 4.3Å; F453-E469 WeakPolarHBondContact CZ-O 3.41Å; F453-K473 HydrophobicContact CE2-CG 4.24Å; F453-K473 HydrophobicContact CZ-CD 4.46Å; F453-K473 HydrophobicContact CZ-CG 3.94Å; F453-M476 HydrophobicContact CD2-CE 3.72Å; F453-M476 HydrophobicContact CE2-CE 3.54Å
454T94.6Very high92.9Very high14 Ų1421.7 Ų21.79%0.08613%0.134CC..  trans-72.5149.7179.364.10000110.5D131 A134 Y451 A458D131-T454 HydrophobicContact CB-CG2 3.86Å; A134-T454 HydrophobicContact CB-CG2 4.07Å; Y451-T454 PolarHBondContact O-OG1 3.38Å; T454-A458 PolarHBondContact OG1-O 3.27Å
455T91.7Very high92.8Very high62 Ų6223.7 Ų23.738%0.3815%0.146SC..  trans-131.84.3-17770.40000113.4S17 K19S17-T455 PolarHBondContact O-OG1 3.13Å; S17-T455 PolarHBondContact OG-OG1 3.05Å; K19-T455 HydrophobicContact CB-CG2 4.44Å
456T86.8Confident92.8Very high36 Ų3630.7 Ų30.722%0.22118%0.179CC..SBendtrans-113.7-135-167.379.90000113.5V16 D131 A458 I459V16-T456 HydrophobicContact CB-CG2 4.18Å; V16-T456 HydrophobicContact CG1-CG2 3.25Å; V16-T456 HydrophobicContact CG2-CG2 4.05Å; D131-T456 PolarHBondContact OD2-OG1 3.22Å; T456-A458 VanDerWaalsContact C-N 3.3Å; T456-A458 PolarHBondContact O-N 3.23Å; T456-I459 WeakPolarHBondContact O-CG2 3.42Å
457H89.8Confident92.9Very high27 Ų2737 Ų3713%0.12521%0.208CC..SBendtrans-65.8-26.1-169.668.1-66.1000114Q62 I84 S85 Y100 S128 Y130 D131Q62-H457 PolarHBondContact NE2-CD2 3.49Å; Q62-H457 PolarHBondContact NE2-CE1 3.04Å; Q62-H457 VanDerWaalsContact NE2-CE1 3.34Å; Q62-H457 PolarHBondContact NE2-NE2 3.11Å; I84-H457 CarbonylContact C-O 3.42Å; I84-H457 VanDerWaalsContact CA-O 3.26Å; I84-H457 WeakPolarHBondContact CA-O 3.34Å; S85-H457 PolarHBondContact N-O 3Å; Y100-H457 PolarHBondContact OH-CE1 2.85Å; S128-H457 PolarHBondContact O-CD2 3.45Å; S128-H457 PolarHBondContact O-NE2 2.97Å; Y130-H457 PolarHBondContact O-CE1 3.49Å; Y130-H457 PolarHBondContact O-NE2 3.33Å; D131-H457 IonicContact OD2-CE1 3.75Å; D131-H457 IonicContact OD2-ND1 2.69Å
458A90.5Very high92.9Very high0 Ų037.1 Ų37.10%021%0.209CC..EExtended strand (participates in β ladder)trans-124.1111.3177.100000110.4L83 D131 Y451 T454 T456L83-A458 WeakPolarHBondContact O-CA 3.5Å; D131-A458 HydrophobicContact CB-CB 4.4Å; Y451-A458 HydrophobicContact CE1-CB 4.2Å; T454-A458 PolarHBondContact OG1-O 3.27Å; T456-A458 VanDerWaalsContact C-N 3.3Å; T456-A458 PolarHBondContact O-N 3.23Å
459I91.2Very high92.9Very high57 Ų5738.7 Ų38.729%0.29222%0.216SC..EExtended strand (participates in β ladder)trans-132.5159.4-178.462.7177.4000111.3L83 T456L83-I459 HydrophobicContact CB-CG1 3.88Å; L83-I459 HydrophobicContact CD1-CG1 4.43Å; L83-I459 PolarHBondContact N-O 3.01Å; L83-I459 PolarHBondContact O-N 3.14Å; T456-I459 WeakPolarHBondContact O-CG2 3.42Å
460L89.9Confident92.9Very high20 Ų2042.7 Ų42.711%0.10524%0.235CC..EExtended strand (participates in β ladder)trans-73.9149.2173.5-59.7178.6000111.3L82 F428 F446 Y451 D462 C464L82-L460 HydrophobicContact CD2-CD2 4.19Å; F428-L460 HydrophobicContact CD1-CD1 4.24Å; F428-L460 HydrophobicContact CD1-CD2 4.38Å; F428-L460 HydrophobicContact CE1-CD1 4.12Å; F428-L460 HydrophobicContact CE1-CD2 3.81Å; F428-L460 HydrophobicContact CE2-CD2 4.18Å; F428-L460 HydrophobicContact CZ-CD2 3.7Å; F446-L460 HydrophobicContact CD1-CD2 3.88Å; F446-L460 HydrophobicContact CE1-CD2 4.26Å; Y451-L460 HydrophobicContact CD1-CD2 4.16Å; Y451-L460 HydrophobicContact CG-CD2 4.29Å; L460-D462 VanDerWaalsContact C-N 3.35Å; L460-D462 WeakPolarHBondContact CB-O 3.42Å; L460-C464 VanDerWaalsContact CD1-SG 3.52Å
461T84.9Confident93Very high42 Ų4242.8 Ų42.826%0.25824%0.235SC..SBendtrans-69-31.1175.938.70000113.8G81 L83G81-T461 WeakPolarHBondContact O-CG2 3.2Å; G81-T461 PolarHBondContact O-N 3.23Å; G81-T461 PolarHBondContact O-OG1 3.24Å; L83-T461 HydrophobicContact CD1-CG2 3.96Å; L83-T461 HydrophobicContact CD2-CG2 3.65Å; L83-T461 HydrophobicContact CG-CG2 3.49Å; L83-T461 VanDerWaalsContact CG-CG2 3.49Å
462D87.2Confident93.1Very high56 Ų5642.6 Ų42.630%0.29924%0.235SC..SBendtrans-120.4150.7175.9-73.4-50.9000109.2F428 K431 L460F428-D462 HydrophobicContact CB-CB 3.87Å; K431-D462 IonicContact NZ-OD1 3.81Å; K431-D462 PolarHBondContact NZ-OD1 3.49Å; K431-D462 IonicContact NZ-OD2 3.29Å; K431-D462 PolarHBondContact NZ-OD2 2.66Å; L460-D462 VanDerWaalsContact C-N 3.35Å; L460-D462 WeakPolarHBondContact CB-O 3.42Å
463A87.3Confident93.3Very high87 Ų8744.5 Ų44.572%0.71924%0.241SC*.PPolyproline II helixtrans-68.2144.1172.100000111.3
464C93.6Very high93.3Very high16 Ų1646.6 Ų46.611%0.10825%0.252CS..PPolyproline II helixtrans-69.4135.7172.4-65.90000111C452 L460 E468 E469C452-C464 WeakPolarHBondContact CA-SG 3.34Å; C452-C464 HydrophobicContact CB-CB 3.63Å; C452-C464 WeakPolarHBondContact CB-SG 3.42Å; C452-C464 WeakPolarHBondContact SG-CB 3.45Å; C452-C464 CovalentContact SG-SG 2.04Å; C452-C464 PolarHBondContact SG-SG 2.99Å; L460-C464 VanDerWaalsContact CD1-SG 3.52Å; C464-E468 HydrophobicContact CB-CB 4.26Å; C464-E469 HydrophobicContact CB-CG 3.96Å
465P95.5Very high93.5Very high41 Ų4145.9 Ų45.927%0.26625%0.248SC..PPolyproline II helixtrans-59153.1161-19.333000111.3N427 E467 E468 E469N427-P465 HydrophobicContact CB-CG 4.04Å; P465-E467 PolarHBondContact O-N 2.8Å; P465-E468 WeakPolarHBondContact CD-OE2 3.35Å; P465-E468 HydrophobicContact CG-CG 4.38Å; P465-E468 PolarHBondContact O-N 2.99Å; P465-E469 PolarHBondContact O-N 3.47Å; P465-E469 VanDerWaalsContact O-N 3.09Å
466E96.1Very high93.9Very high154 Ų15443 Ų4372%0.7223%0.23SC*.Hα-helixtrans-54.8-39.3-179.4-174.7175-174.400112.7E468 E469 E470E466-E468 VanDerWaalsContact C-N 3.32Å; E466-E468 PolarHBondContact O-N 3.29Å; E466-E469 WeakPolarHBondContact O-CB 3.47Å; E466-E469 PolarHBondContact O-N 3.27Å; E466-E469 VanDerWaalsContact O-N 3.15Å; E466-E470 PolarHBondContact O-N 3.42Å
467E97.1Very high94.4Very high137 Ų13744 Ų4464%0.6423%0.234SC*.Hα-helixtrans-60.8-39.9177.1-61.6144.418000111.8P465 E470 F471 L510P465-E467 PolarHBondContact O-N 2.8Å; E467-E470 PolarHBondContact O-N 2.9Å; E467-F471 WeakPolarHBondContact O-CB 3.29Å; E467-F471 PolarHBondContact O-N 3.21Å; E467-L510 HydrophobicContact CB-CD1 4.11Å; E467-L510 HydrophobicContact CB-CD2 4.33Å; E467-L510 WeakPolarHBondContact O-CD1 3.35Å
468E97.3Very high94.9Very high5 Ų542.7 Ų42.72%0.02323%0.228CC..Hα-helixtrans-72.7-30.8176.8-65.3-167.5148.900112.1H424 P426 N427 M447 C464 P465 E466 F471 S472 L510H424-E468 IonicContact CD2-OE1 3.49Å; H424-E468 IonicContact CE1-OE1 2.78Å; H424-E468 PolarHBondContact CE1-OE1 3.17Å; H424-E468 VanDerWaalsContact CE1-OE1 3.23Å; H424-E468 IonicContact NE2-OE1 3.42Å; H424-E468 PolarHBondContact NE2-OE1 3.42Å; P426-E468 WeakPolarHBondContact CA-OE1 3.45Å; N427-E468 WeakPolarHBondContact CB-OE1 3.23Å; N427-E468 PolarHBondContact N-OE1 3.14Å; N427-E468 PolarHBondContact N-OE2 2.88Å; M447-E468 HydrophobicContact CE-CB 3.94Å; M447-E468 HydrophobicContact CE-CG 4.06Å; C464-E468 HydrophobicContact CB-CB 4.26Å; P465-E468 WeakPolarHBondContact CD-OE2 3.35Å; P465-E468 HydrophobicContact CG-CG 4.38Å; P465-E468 PolarHBondContact O-N 2.99Å; E466-E468 VanDerWaalsContact C-N 3.32Å; E466-E468 PolarHBondContact O-N 3.29Å; E468-F471 PolarHBondContact O-N 3.45Å; E468-S472 VanDerWaalsContact O-CB 3.31Å; E468-S472 WeakPolarHBondContact O-CB 3.48Å; E468-S472 PolarHBondContact O-N 3.33Å; E468-L510 HydrophobicContact CG-CD2 4.45Å
469E97.5Very high95.2Very high33 Ų3342.7 Ų42.715%0.15423%0.228CC..Hα-helixtrans-63.2-46.9171.3-64.8-170.2178.500111K19 C452 F453 C464 P465 E466 F471 S472 K473K19-E469 IonicContact NZ-OE1 2.64Å; K19-E469 PolarHBondContact NZ-OE1 2.93Å; C452-E469 HydrophobicContact CB-CG 4.14Å; F453-E469 HydrophobicContact CE1-CB 3.92Å; F453-E469 HydrophobicContact CE1-CG 4.05Å; F453-E469 HydrophobicContact CZ-CB 3.83Å; F453-E469 HydrophobicContact CZ-CG 4.3Å; F453-E469 WeakPolarHBondContact CZ-O 3.41Å; C464-E469 HydrophobicContact CB-CG 3.96Å; P465-E469 PolarHBondContact O-N 3.47Å; P465-E469 VanDerWaalsContact O-N 3.09Å; E466-E469 WeakPolarHBondContact O-CB 3.47Å; E466-E469 PolarHBondContact O-N 3.27Å; E466-E469 VanDerWaalsContact O-N 3.15Å; E469-F471 VanDerWaalsContact C-N 3.34Å; E469-F471 PolarHBondContact O-N 3.43Å; E469-S472 PolarHBondContact O-N 2.95Å; E469-K473 WeakPolarHBondContact O-CG 3.15Å; E469-K473 PolarHBondContact O-N 2.66Å
470E97.1Very high95.6Very high89 Ų8940 Ų4042%0.41621%0.214SC..Hα-helixtrans-63.3-41.2176.4-67.2-50.4132.200111.9E466 E467 S472 K473 I474E466-E470 PolarHBondContact O-N 3.42Å; E467-E470 PolarHBondContact O-N 2.9Å; E470-S472 PolarHBondContact O-N 2.94Å; E470-K473 WeakPolarHBondContact O-CB 3.37Å; E470-K473 PolarHBondContact O-N 3.06Å; E470-K473 IonicContact OE1-NZ 3.86Å; E470-K473 PolarHBondContact OE1-NZ 3.11Å; E470-K473 IonicContact OE2-NZ 3.94Å; E470-I474 WeakPolarHBondContact O-CG1 3.18Å; E470-I474 PolarHBondContact O-N 2.71Å
471F98Very high96Very high2 Ų240.2 Ų40.21%0.00922%0.216CC..Hα-helixtrans-66.7-37.7176.4-175.1-126.5000113.1Y422 H424 M447 E467 E468 E469 K473 I474 M475 D509 L510Y422-F471 HydrophobicContact CD2-CE1 4.47Å; Y422-F471 HydrophobicContact CD2-CZ 4.24Å; Y422-F471 AromaticContact CE2-CE1 3.43Å; Y422-F471 HydrophobicContact CE2-CE1 3.43Å; Y422-F471 VanDerWaalsContact CE2-CE1 3.43Å; Y422-F471 AromaticContact CE2-CZ 3.6Å; Y422-F471 HydrophobicContact CE2-CZ 3.6Å; Y422-F471 AromaticContact CZ-CE1 3.89Å; H424-F471 HydrophobicContact CB-CD1 4.48Å; H424-F471 HydrophobicContact CB-CE1 3.74Å; H424-F471 HydrophobicContact CB-CZ 4.37Å; H424-F471 AromaticContact CD2-CE1 4Å; M447-F471 HydrophobicContact CG-CD1 4.02Å; M447-F471 HydrophobicContact CG-CE1 4.19Å; M447-F471 HydrophobicContact SD-CD1 4.37Å; E467-F471 WeakPolarHBondContact O-CB 3.29Å; E467-F471 PolarHBondContact O-N 3.21Å; E468-F471 PolarHBondContact O-N 3.45Å; E469-F471 VanDerWaalsContact C-N 3.34Å; E469-F471 PolarHBondContact O-N 3.43Å; F471-K473 VanDerWaalsContact C-N 3.31Å; F471-K473 PolarHBondContact O-N 2.83Å; F471-I474 WeakPolarHBondContact O-CB 3.39Å; F471-I474 PolarHBondContact O-N 3.19Å; F471-M475 HydrophobicContact CD2-CG 4.45Å; F471-M475 HydrophobicContact CE1-CG 4.3Å; F471-M475 HydrophobicContact CE2-CG 4.17Å; F471-M475 HydrophobicContact CE2-SD 4.23Å; F471-M475 HydrophobicContact CZ-CG 4.09Å; F471-M475 HydrophobicContact CZ-SD 4.03Å; F471-M475 WeakPolarHBondContact O-CG 3.45Å; F471-M475 PolarHBondContact O-N 3.37Å; F471-D509 VanDerWaalsContact CE2-O 3.23Å; F471-D509 WeakPolarHBondContact CE2-O 2.98Å; F471-L510 HydrophobicContact CB-CD1 3.38Å; F471-L510 HydrophobicContact CD1-CB 4.36Å; F471-L510 HydrophobicContact CD1-CD1 4.18Å; F471-L510 HydrophobicContact CG-CB 4.47Å; F471-L510 HydrophobicContact CG-CD1 3.86Å
472S98.1Very high96.7Very high0 Ų038.2 Ų38.20%020%0.203CC..Hα-helixtrans-61.9-38.5171.9178.60000111.7M447 G450 E468 E469 E470 M475 M476M447-S472 PolarHBondContact O-OG 3.2Å; G450-S472 WeakPolarHBondContact CA-OG 3.33Å; E468-S472 VanDerWaalsContact O-CB 3.31Å; E468-S472 WeakPolarHBondContact O-CB 3.48Å; E468-S472 PolarHBondContact O-N 3.33Å; E469-S472 PolarHBondContact O-N 2.95Å; E470-S472 PolarHBondContact O-N 2.94Å; S472-M475 PolarHBondContact O-N 2.91Å; S472-M476 WeakPolarHBondContact O-CB 3.49Å; S472-M476 WeakPolarHBondContact O-CG 3.38Å; S472-M476 PolarHBondContact O-N 3.23Å
473K98.1Very high97.2Very high54 Ų5435.6 Ų35.624%0.23519%0.189CC..Hα-helixtrans-62.8-42.2172.5-66.6167.5-166.9167.80111.8Y138 F453 E469 E470 F471 M476 N477Y138-K473 HydrophobicContact CD1-CG 4.4Å; Y138-K473 HydrophobicContact CE1-CG 4.22Å; F453-K473 HydrophobicContact CE2-CG 4.24Å; F453-K473 HydrophobicContact CZ-CD 4.46Å; F453-K473 HydrophobicContact CZ-CG 3.94Å; E469-K473 WeakPolarHBondContact O-CG 3.15Å; E469-K473 PolarHBondContact O-N 2.66Å; E470-K473 WeakPolarHBondContact O-CB 3.37Å; E470-K473 PolarHBondContact O-N 3.06Å; E470-K473 IonicContact OE1-NZ 3.86Å; E470-K473 PolarHBondContact OE1-NZ 3.11Å; E470-K473 IonicContact OE2-NZ 3.94Å; F471-K473 VanDerWaalsContact C-N 3.31Å; F471-K473 PolarHBondContact O-N 2.83Å; K473-M476 HydrophobicContact CG-CE 4.47Å; K473-M476 PolarHBondContact O-N 2.93Å; K473-N477 WeakPolarHBondContact O-CB 3.41Å; K473-N477 PolarHBondContact O-N 3.47Å; K473-N477 PolarHBondContact O-ND2 3.1Å
474I98Very high97.8Very high46 Ų4635.1 Ų35.124%0.23617%0.169CC..Hα-helixtrans-59.3-49.3174.9-70.1168000110.7E470 F471 N477 Y478 L493E470-I474 WeakPolarHBondContact O-CG1 3.18Å; E470-I474 PolarHBondContact O-N 2.71Å; F471-I474 WeakPolarHBondContact O-CB 3.39Å; F471-I474 PolarHBondContact O-N 3.19Å; I474-N477 WeakPolarHBondContact O-CB 3.45Å; I474-N477 PolarHBondContact O-N 3.44Å; I474-Y478 HydrophobicContact CG2-CD2 4.01Å; I474-Y478 HydrophobicContact CG2-CE2 3.51Å; I474-Y478 WeakPolarHBondContact O-CD2 3.28Å; I474-Y478 PolarHBondContact O-N 3.4Å; I474-Y478 VanDerWaalsContact O-N 3.09Å; I474-L493 HydrophobicContact CG2-CD2 4.15Å
475M98.5Very high98Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-60.8-48.9178.2-69-67.9-7100111.5Y422 M447 V448 F471 S472 N477 Y478 W479 L508Y422-M475 HydrophobicContact CD2-CE 3.81Å; Y422-M475 HydrophobicContact CD2-SD 4.34Å; Y422-M475 HydrophobicContact CE2-CE 3.88Å; Y422-M475 HydrophobicContact CE2-SD 4.27Å; M447-M475 HydrophobicContact CB-CB 4.11Å; M447-M475 HydrophobicContact CB-CG 3.86Å; V448-M475 HydrophobicContact CG2-CB 4.47Å; V448-M475 HydrophobicContact CG2-CE 3.65Å; F471-M475 HydrophobicContact CD2-CG 4.45Å; F471-M475 HydrophobicContact CE1-CG 4.3Å; F471-M475 HydrophobicContact CE2-CG 4.17Å; F471-M475 HydrophobicContact CE2-SD 4.23Å; F471-M475 HydrophobicContact CZ-CG 4.09Å; F471-M475 HydrophobicContact CZ-SD 4.03Å; F471-M475 WeakPolarHBondContact O-CG 3.45Å; F471-M475 PolarHBondContact O-N 3.37Å; S472-M475 PolarHBondContact O-N 2.91Å; M475-N477 VanDerWaalsContact C-N 3.27Å; M475-N477 PolarHBondContact O-N 2.81Å; M475-Y478 PolarHBondContact O-N 2.98Å; M475-W479 HydrophobicContact CE-CH2 3.63Å; M475-W479 HydrophobicContact CE-CZ3 3.6Å; M475-W479 PolarHBondContact O-N 2.98Å; M475-W479 VanDerWaalsContact O-N 3.16Å; M475-W479 HydrophobicContact SD-CZ3 4.15Å; M475-L508 HydrophobicContact CE-CD1 3.97Å; M475-L508 HydrophobicContact SD-CB 4.31Å; M475-L508 HydrophobicContact SD-CD1 3.86Å; M475-L508 HydrophobicContact SD-CD2 4.06Å; M475-L508 HydrophobicContact SD-CG 4.31Å
476M98.6Very high98.1Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-59.2-37.4175.6-74.8-168.9-66.300112.1L135 Y138 Q139 V448 F453 S472 K473 W479 G480L135-M476 HydrophobicContact CD1-CB 4.36Å; L135-M476 HydrophobicContact CD1-CG 4.05Å; L135-M476 HydrophobicContact CD1-SD 4.4Å; Y138-M476 HydrophobicContact CD1-CE 3.99Å; Y138-M476 HydrophobicContact CD2-CE 4.08Å; Y138-M476 HydrophobicContact CG-CE 3.66Å; Y138-M476 HydrophobicContact CG-SD 4.35Å; Q139-M476 VanDerWaalsContact CD-C 3.45Å; Q139-M476 HydrophobicContact CG-CB 3.98Å; Q139-M476 VanDerWaalsContact CG-O 3.32Å; Q139-M476 WeakPolarHBondContact CG-O 3.49Å; Q139-M476 PolarHBondContact NE2-O 2.73Å; Q139-M476 PolarHBondContact OE1-O 2.97Å; V448-M476 VanDerWaalsContact O-CG 3.31Å; V448-M476 WeakPolarHBondContact O-CG 3.34Å; F453-M476 HydrophobicContact CD2-CE 3.72Å; F453-M476 HydrophobicContact CE2-CE 3.54Å; S472-M476 WeakPolarHBondContact O-CB 3.49Å; S472-M476 WeakPolarHBondContact O-CG 3.38Å; S472-M476 PolarHBondContact O-N 3.23Å; K473-M476 HydrophobicContact CG-CE 4.47Å; K473-M476 PolarHBondContact O-N 2.93Å; M476-W479 PolarHBondContact O-N 3.15Å; M476-G480 PolarHBondContact O-N 2.9Å
477N98.6Very high98.3Very high57 Ų5731.4 Ų31.431%0.30516%0.159SC..Hα-helixtrans-64.5-43.5177.6-75.1-22.4000112.1Q139 K473 I474 M475 W479 N481 L493Q139-N477 PolarHBondContact NE2-OD1 3.4Å; K473-N477 WeakPolarHBondContact O-CB 3.41Å; K473-N477 PolarHBondContact O-N 3.47Å; K473-N477 PolarHBondContact O-ND2 3.1Å; I474-N477 WeakPolarHBondContact O-CB 3.45Å; I474-N477 PolarHBondContact O-N 3.44Å; M475-N477 VanDerWaalsContact C-N 3.27Å; M475-N477 PolarHBondContact O-N 2.81Å; N477-W479 PolarHBondContact O-N 3.09Å; N477-N481 WeakPolarHBondContact O-CB 3.41Å; N477-N481 PolarHBondContact O-N 3.43Å; N477-N481 PolarHBondContact O-ND2 3.47Å; N477-L493 HydrophobicContact CB-CD1 3.93Å; N477-L493 HydrophobicContact CB-CD2 4.05Å; N477-L493 HydrophobicContact CB-CG 4.49Å
478Y98.9Very high98.3Very high0 Ų024.9 Ų24.90%013%0.129CC..Hα-helixtrans-59.4-47.5175-73.9-56.9000111.6I474 M475 F482 P488 L493 V494 W496 L506 L508I474-Y478 HydrophobicContact CG2-CD2 4.01Å; I474-Y478 HydrophobicContact CG2-CE2 3.51Å; I474-Y478 WeakPolarHBondContact O-CD2 3.28Å; I474-Y478 PolarHBondContact O-N 3.4Å; I474-Y478 VanDerWaalsContact O-N 3.09Å; M475-Y478 PolarHBondContact O-N 2.98Å; Y478-F482 WeakPolarHBondContact O-CB 3.44Å; Y478-F482 PolarHBondContact O-N 2.86Å; Y478-P488 HydrophobicContact CD1-CB 3.96Å; Y478-P488 WeakPolarHBondContact CD1-O 3.26Å; Y478-P488 HydrophobicContact CG-CB 4.47Å; Y478-P488 WeakPolarHBondContact O-CA 3.4Å; Y478-L493 HydrophobicContact CD1-CB 4.49Å; Y478-L493 HydrophobicContact CD1-CD1 3.63Å; Y478-L493 HydrophobicContact CE1-CB 3.71Å; Y478-L493 HydrophobicContact CE1-CD1 3.72Å; Y478-L493 HydrophobicContact CE1-CD2 4.47Å; Y478-L493 HydrophobicContact CE1-CG 4.18Å; Y478-L493 HydrophobicContact CG-CD1 4.22Å; Y478-V494 PolarHBondContact OH-N 2.94Å; Y478-V494 PolarHBondContact OH-O 2.84Å; Y478-V494 VanDerWaalsContact OH-O 3.05Å; Y478-W496 AromaticContact CD1-CE3 3.69Å; Y478-W496 HydrophobicContact CD1-CE3 3.69Å; Y478-W496 HydrophobicContact CD1-CZ3 4.26Å; Y478-W496 HydrophobicContact CD2-CE3 4.35Å; Y478-W496 HydrophobicContact CD2-CZ3 4.31Å; Y478-W496 HydrophobicContact CE1-CE3 4.12Å; Y478-W496 AromaticContact CG-CE3 3.85Å; Y478-W496 HydrophobicContact CG-CE3 3.85Å; Y478-W496 AromaticContact CG-CZ3 3.94Å; Y478-W496 HydrophobicContact CG-CZ3 3.94Å; Y478-L506 HydrophobicContact CE1-CD2 4.25Å; Y478-L506 HydrophobicContact CE2-CD2 4.17Å; Y478-L508 HydrophobicContact CD2-CD2 4.24Å; Y478-L508 HydrophobicContact CE2-CD2 3.9Å
479W98.8Very high98.4Very high0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-67.4-42.9-179.2-91.9-118.1000112.1M114 I222 Q224 Y420 V448 M475 M476 N477 F482 A483 W496 L508M114-W479 HydrophobicContact CE-CB 4.27Å; I222-W479 HydrophobicContact CD1-CG 3.98Å; I222-W479 HydrophobicContact CG2-CZ2 4.42Å; Q224-W479 HydrophobicContact CG-CZ2 4.37Å; Y420-W479 HydrophobicContact CD1-CH2 4.33Å; Y420-W479 HydrophobicContact CE1-CH2 4.06Å; Y420-W479 HydrophobicContact CE1-CZ2 4.07Å; V448-W479 VanDerWaalsContact CG1-CD1 3.43Å; V448-W479 HydrophobicContact CG1-CD2 4.03Å; V448-W479 HydrophobicContact CG1-CG 3.82Å; V448-W479 HydrophobicContact CG2-CD2 3.96Å; V448-W479 HydrophobicContact CG2-CE3 4.21Å; V448-W479 HydrophobicContact CG2-CH2 3.95Å; V448-W479 HydrophobicContact CG2-CZ2 3.65Å; V448-W479 HydrophobicContact CG2-CZ3 4.21Å; M475-W479 HydrophobicContact CE-CH2 3.63Å; M475-W479 HydrophobicContact CE-CZ3 3.6Å; M475-W479 PolarHBondContact O-N 2.98Å; M475-W479 VanDerWaalsContact O-N 3.16Å; M475-W479 HydrophobicContact SD-CZ3 4.15Å; M476-W479 PolarHBondContact O-N 3.15Å; N477-W479 PolarHBondContact O-N 3.09Å; W479-F482 PolarHBondContact O-N 3.3Å; W479-A483 WeakPolarHBondContact O-CB 3.33Å; W479-A483 PolarHBondContact O-N 3.02Å; W479-W496 HydrophobicContact CH2-CH2 4.23Å; W479-W496 HydrophobicContact CZ3-CH2 4.14Å; W479-W496 HydrophobicContact CZ3-CZ3 4.01Å; W479-L508 HydrophobicContact CH2-CD1 4.25Å; W479-L508 HydrophobicContact CZ3-CD1 4.32Å
480G98.6Very high98.3Very high0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-67.2-41.9177.500000112.8M476 F482 A483 R484M476-G480 PolarHBondContact O-N 2.9Å; G480-F482 VanDerWaalsContact C-N 3.3Å; G480-F482 PolarHBondContact O-N 3.45Å; G480-A483 PolarHBondContact O-N 3.41Å; G480-R484 VanDerWaalsContact C-NH2 3.31Å; G480-R484 WeakPolarHBondContact O-CG 3.28Å; G480-R484 VanDerWaalsContact O-CZ 3.28Å; G480-R484 PolarHBondContact O-N 2.87Å; G480-R484 PolarHBondContact O-NE 3.48Å; G480-R484 PolarHBondContact O-NH1 3.24Å
481N98.8Very high98.1Very high26 Ų2630.7 Ų30.714%0.13917%0.171CC..Hα-helixtrans-61.2-43.2174.8-76.1-19.1000110.9N477 R484 T485 S487 P488 N489 L493N477-N481 WeakPolarHBondContact O-CB 3.41Å; N477-N481 PolarHBondContact O-N 3.43Å; N477-N481 PolarHBondContact O-ND2 3.47Å; N481-R484 VanDerWaalsContact N-NH2 3.18Å; N481-R484 PolarHBondContact O-N 3.39Å; N481-R484 PolarHBondContact OD1-NH2 3.04Å; N481-T485 PolarHBondContact O-N 3.15Å; N481-T485 PolarHBondContact O-OG1 2.84Å; N481-S487 CarbonylContact C-O 3.59Å; N481-P488 WeakPolarHBondContact CB-O 3.29Å; N481-P488 PolarHBondContact ND2-O 3.26Å; N481-N489 PolarHBondContact ND2-O 3.36Å; N481-L493 WeakPolarHBondContact ND2-CD1 3.27Å
482F98.9Very high97.9Very high0 Ų034.9 Ų34.90%022%0.215CC..Hα-helixtrans-61.3-48.3175.8-178.1-102.8000110.7T194 R220 A221 I222 P313 I315 F418 Y478 W479 G480 R484 T485 G486 S487 P488T194-F482 HydrophobicContact CG2-CD1 4.35Å; T194-F482 HydrophobicContact CG2-CE1 4.33Å; R220-F482 HydrophobicContact CB-CD1 4.41Å; R220-F482 HydrophobicContact CB-CE1 3.71Å; R220-F482 HydrophobicContact CB-CZ 4.11Å; R220-F482 WeakPolarHBondContact CD-O 3.33Å; R220-F482 HydrophobicContact CG-CE1 4.45Å; R220-F482 PolarHBondContact NE-O 3.47Å; R220-F482 VanDerWaalsContact NE-O 3.09Å; A221-F482 WeakPolarHBondContact O-CE1 3.49Å; I222-F482 HydrophobicContact CD1-CD1 3.78Å; I222-F482 HydrophobicContact CD1-CE1 4.2Å; I222-F482 HydrophobicContact CG1-CD1 3.74Å; I222-F482 HydrophobicContact CG1-CE1 3.63Å; P313-F482 VanDerWaalsContact C-CZ 3.49Å; P313-F482 HydrophobicContact CB-CE2 3.77Å; P313-F482 HydrophobicContact CB-CZ 3.85Å; P313-F482 WeakPolarHBondContact O-CZ 3.27Å; I315-F482 HydrophobicContact CD1-CB 3.83Å; I315-F482 HydrophobicContact CD1-CD1 3.87Å; I315-F482 HydrophobicContact CD1-CD2 3.59Å; I315-F482 HydrophobicContact CD1-CE1 4.26Å; I315-F482 HydrophobicContact CD1-CE2 4.03Å; I315-F482 HydrophobicContact CD1-CG 3.47Å; I315-F482 VanDerWaalsContact CD1-CG 3.47Å; I315-F482 HydrophobicContact CD1-CZ 4.32Å; I315-F482 HydrophobicContact CG1-CD1 4.01Å; I315-F482 HydrophobicContact CG1-CD2 3.71Å; I315-F482 HydrophobicContact CG1-CE1 3.87Å; I315-F482 HydrophobicContact CG1-CE2 3.58Å; I315-F482 HydrophobicContact CG1-CG 3.9Å; I315-F482 HydrophobicContact CG1-CZ 3.64Å; F418-F482 HydrophobicContact CD2-CE2 4.2Å; F418-F482 HydrophobicContact CE2-CE2 4.41Å; Y478-F482 WeakPolarHBondContact O-CB 3.44Å; Y478-F482 PolarHBondContact O-N 2.86Å; W479-F482 PolarHBondContact O-N 3.3Å; G480-F482 VanDerWaalsContact C-N 3.3Å; G480-F482 PolarHBondContact O-N 3.45Å; F482-R484 VanDerWaalsContact C-N 3.26Å; F482-R484 PolarHBondContact O-N 3.4Å; F482-T485 PolarHBondContact O-N 3.16Å; F482-G486 WeakPolarHBondContact CD2-O 3.45Å; F482-G486 WeakPolarHBondContact CE2-O 3.46Å; F482-G486 WeakPolarHBondContact O-CA 3.26Å; F482-G486 PolarHBondContact O-N 3.15Å; F482-S487 VanDerWaalsContact CA-O 3.3Å; F482-S487 WeakPolarHBondContact CA-O 3.37Å; F482-S487 PolarHBondContact N-O 3.34Å; F482-S487 VanDerWaalsContact N-O 3.13Å; F482-P488 HydrophobicContact CB-CB 4.34Å
483A98.8Very high97.8Very high0 Ų036.3 Ų36.30%022%0.222CC..Hα-helixtrans-58.2-37.1177.500000113.3P112 M114 T194 R220 W479 G480P112-A483 HydrophobicContact CB-CB 4.37Å; M114-A483 HydrophobicContact CE-CB 4.29Å; M114-A483 HydrophobicContact CG-CB 3.75Å; M114-A483 HydrophobicContact SD-CB 3.73Å; T194-A483 WeakPolarHBondContact OG1-CA 3.22Å; R220-A483 PolarHBondContact NH1-O 3.5Å; W479-A483 WeakPolarHBondContact O-CB 3.33Å; W479-A483 PolarHBondContact O-N 3.02Å; G480-A483 PolarHBondContact O-N 3.41Å
484R98.4Very high97.8Very high77 Ų7736.5 Ų36.529%0.29123%0.228SC..Hα-helixtrans-71.5-47.7176.6-77.3-178.6-69-87.65.2113.2P112 Q139 R220 G480 N481 F482P112-R484 HydrophobicContact CB-CG 4.45Å; P112-R484 HydrophobicContact CG-CB 4.3Å; P112-R484 HydrophobicContact CG-CG 3.4Å; P112-R484 VanDerWaalsContact CG-CG 3.4Å; Q139-R484 PolarHBondContact O-NH1 2.98Å; R220-R484 PolarHBondContact NH2-O 2.92Å; G480-R484 VanDerWaalsContact C-NH2 3.31Å; G480-R484 WeakPolarHBondContact O-CG 3.28Å; G480-R484 VanDerWaalsContact O-CZ 3.28Å; G480-R484 PolarHBondContact O-N 2.87Å; G480-R484 PolarHBondContact O-NE 3.48Å; G480-R484 PolarHBondContact O-NH1 3.24Å; N481-R484 VanDerWaalsContact N-NH2 3.18Å; N481-R484 PolarHBondContact O-N 3.39Å; N481-R484 PolarHBondContact OD1-NH2 3.04Å; F482-R484 VanDerWaalsContact C-N 3.26Å; F482-R484 PolarHBondContact O-N 3.4Å
485T98.3Very high97.7Very high89 Ų8942 Ų4255%0.54625%0.25SC..Hα-helixtrans-119.8-19.4-159.670.50000114.3N481 F482 S487N481-T485 PolarHBondContact O-N 3.15Å; N481-T485 PolarHBondContact O-OG1 2.84Å; F482-T485 PolarHBondContact O-N 3.16Å; T485-S487 VanDerWaalsContact C-N 3.29Å; T485-S487 PolarHBondContact OG1-N 3.11Å; T485-S487 VanDerWaalsContact OG1-N 3.1Å; T485-S487 PolarHBondContact OG1-O 2.97Å
486G98.4Very high97.7Very high10 Ų1042 Ų4210%0.10325%0.25CC..SBendtrans85.31.2-169.400000113.5F482F482-G486 WeakPolarHBondContact CD2-O 3.45Å; F482-G486 WeakPolarHBondContact CE2-O 3.46Å; F482-G486 WeakPolarHBondContact O-CA 3.26Å; F482-G486 PolarHBondContact O-N 3.15Å
487S98.5Very high97.7Very high35 Ų3542.8 Ų42.825%0.24526%0.255CS..  trans-126137.6170.4-166.90000110.3N481 F482 T485 N489N481-S487 CarbonylContact C-O 3.59Å; F482-S487 VanDerWaalsContact CA-O 3.3Å; F482-S487 WeakPolarHBondContact CA-O 3.37Å; F482-S487 PolarHBondContact N-O 3.34Å; F482-S487 VanDerWaalsContact N-O 3.13Å; T485-S487 VanDerWaalsContact C-N 3.29Å; T485-S487 PolarHBondContact OG1-N 3.11Å; T485-S487 VanDerWaalsContact OG1-N 3.1Å; T485-S487 PolarHBondContact OG1-O 2.97Å; S487-N489 PolarHBondContact O-N 3.12Å; S487-N489 PolarHBondContact OG-ND2 3.44Å
488P98.6Very high97.7Very high0 Ų046.7 Ų46.70%027%0.266CS..  trans-72.1-15.2175.331.6-36.6000112.5I315 F418 Y478 N481 F482 W496I315-P488 HydrophobicContact CD1-CB 4.15Å; I315-P488 HydrophobicContact CD1-CG 4.38Å; F418-P488 HydrophobicContact CB-CG 4.47Å; F418-P488 HydrophobicContact CD1-CG 3.75Å; F418-P488 HydrophobicContact CD2-CG 4.41Å; F418-P488 HydrophobicContact CE1-CG 4.07Å; F418-P488 HydrophobicContact CG-CG 3.95Å; Y478-P488 HydrophobicContact CD1-CB 3.96Å; Y478-P488 WeakPolarHBondContact CD1-O 3.26Å; Y478-P488 HydrophobicContact CG-CB 4.47Å; Y478-P488 WeakPolarHBondContact O-CA 3.4Å; N481-P488 WeakPolarHBondContact CB-O 3.29Å; N481-P488 PolarHBondContact ND2-O 3.26Å; F482-P488 HydrophobicContact CB-CB 4.34Å; P488-W496 HydrophobicContact CB-CD2 4.2Å; P488-W496 HydrophobicContact CB-CE3 3.64Å; P488-W496 HydrophobicContact CB-CZ3 4.13Å; P488-W496 HydrophobicContact CG-CB 3.77Å; P488-W496 HydrophobicContact CG-CD2 3.71Å; P488-W496 HydrophobicContact CG-CE3 3.69Å; P488-W496 HydrophobicContact CG-CG 3.79Å; P488-W496 HydrophobicContact CG-CZ3 4.45Å
489N98.4Very high97.7Very high47 Ų4746.8 Ų46.825%0.25127%0.266SS..  trans-67.1147.4-176.4-66-72.2000112.8N481 S487 K495 W496N481-N489 PolarHBondContact ND2-O 3.36Å; S487-N489 PolarHBondContact O-N 3.12Å; S487-N489 PolarHBondContact OG-ND2 3.44Å; N489-K495 VanDerWaalsContact OD1-CA 3.31Å; N489-K495 WeakPolarHBondContact OD1-CA 3.35Å; N489-W496 PolarHBondContact ND2-O 2.98Å; N489-W496 PolarHBondContact OD1-N 3.24Å; N489-W496 PolarHBondContact OD1-O 3.35Å
490G95.7Very high97.6Very high31 Ų3147.6 Ų47.632%0.3228%0.275SS..  trans-172.5176174.600000111.5L493G490-L493 PolarHBondContact O-N 3.43Å
491D93.6Very high97.5Very high171 Ų17152.6 Ų52.691%0.91432%0.316SS*.THydrogen-bonded Turntrans-59.9137.8-177.2-67.6-22.8000111.9L493D491-L493 PolarHBondContact O-N 2.84Å
492G92.3Very high97.4Very high90 Ų9056.5 Ų56.593%0.92833%0.333SS*.THydrogen-bonded Turntrans76.3-1.8179.500000115.5
493L96.8Very high97.4Very high30 Ų3059.1 Ų59.116%0.15735%0.346CS..SBendtrans-97.7149.6176.5-58.1178.4000111.8I474 N477 Y478 N481 G490 D491I474-L493 HydrophobicContact CG2-CD2 4.15Å; N477-L493 HydrophobicContact CB-CD1 3.93Å; N477-L493 HydrophobicContact CB-CD2 4.05Å; N477-L493 HydrophobicContact CB-CG 4.49Å; Y478-L493 HydrophobicContact CD1-CB 4.49Å; Y478-L493 HydrophobicContact CD1-CD1 3.63Å; Y478-L493 HydrophobicContact CE1-CB 3.71Å; Y478-L493 HydrophobicContact CE1-CD1 3.72Å; Y478-L493 HydrophobicContact CE1-CD2 4.47Å; Y478-L493 HydrophobicContact CE1-CG 4.18Å; Y478-L493 HydrophobicContact CG-CD1 4.22Å; N481-L493 WeakPolarHBondContact ND2-CD1 3.27Å; G490-L493 PolarHBondContact O-N 3.43Å; D491-L493 PolarHBondContact O-N 2.84Å
494V97.4Very high97.4Very high58 Ų5862.7 Ų62.735%0.35236%0.361SS..PPolyproline II helixtrans-63138.9166.3176.30000108.6Y478 W496 L506 Q513Y478-V494 PolarHBondContact OH-N 2.94Å; Y478-V494 PolarHBondContact OH-O 2.84Å; Y478-V494 VanDerWaalsContact OH-O 3.05Å; V494-W496 PolarHBondContact O-N 3.49Å; V494-W496 VanDerWaalsContact O-N 3.1Å; V494-L506 HydrophobicContact CG1-CD1 4.3Å; V494-Q513 HydrophobicContact CB-CB 4.08Å; V494-Q513 HydrophobicContact CG1-CB 4.48Å; V494-Q513 WeakPolarHBondContact CG1-O 3.21Å; V494-Q513 HydrophobicContact CG2-CB 4.09Å
495K97.7Very high97.4Very high160 Ų16060.5 Ų60.570%0.69635%0.353SS*.PPolyproline II helixtrans-62.9117.8178.5-173.1176-177.3176.10110.2N489 P497N489-K495 VanDerWaalsContact OD1-CA 3.31Å; N489-K495 WeakPolarHBondContact OD1-CA 3.35Å; K495-P497 WeakPolarHBondContact O-CD 3.48Å
496W98.4Very high97.4Very high1 Ų156.3 Ų56.30%0.00433%0.327CS..  trans-83.9112.3169-162.4-31.7000108.9I315 F418 L419 Y420 Y478 W479 P488 N489 V494 L506 L508I315-W496 HydrophobicContact CD1-CH2 4.46Å; I315-W496 HydrophobicContact CG2-CH2 4.05Å; I315-W496 HydrophobicContact CG2-CZ2 4.08Å; F418-W496 HydrophobicContact CB-CZ2 4.29Å; F418-W496 AromaticContact CD1-CD1 3.89Å; F418-W496 HydrophobicContact CD1-CG 4.19Å; L419-W496 PolarHBondContact O-NE1 3.23Å; Y420-W496 AromaticContact CD1-CH2 3.81Å; Y420-W496 HydrophobicContact CD1-CH2 3.81Å; Y420-W496 AromaticContact CD1-CZ2 3.86Å; Y420-W496 HydrophobicContact CD1-CZ2 3.86Å; Y420-W496 HydrophobicContact CG-CH2 4.15Å; Y420-W496 HydrophobicContact CG-CZ2 4.12Å; Y478-W496 AromaticContact CD1-CE3 3.69Å; Y478-W496 HydrophobicContact CD1-CE3 3.69Å; Y478-W496 HydrophobicContact CD1-CZ3 4.26Å; Y478-W496 HydrophobicContact CD2-CE3 4.35Å; Y478-W496 HydrophobicContact CD2-CZ3 4.31Å; Y478-W496 HydrophobicContact CE1-CE3 4.12Å; Y478-W496 AromaticContact CG-CE3 3.85Å; Y478-W496 HydrophobicContact CG-CE3 3.85Å; Y478-W496 AromaticContact CG-CZ3 3.94Å; Y478-W496 HydrophobicContact CG-CZ3 3.94Å; W479-W496 HydrophobicContact CH2-CH2 4.23Å; W479-W496 HydrophobicContact CZ3-CH2 4.14Å; W479-W496 HydrophobicContact CZ3-CZ3 4.01Å; P488-W496 HydrophobicContact CB-CD2 4.2Å; P488-W496 HydrophobicContact CB-CE3 3.64Å; P488-W496 HydrophobicContact CB-CZ3 4.13Å; P488-W496 HydrophobicContact CG-CB 3.77Å; P488-W496 HydrophobicContact CG-CD2 3.71Å; P488-W496 HydrophobicContact CG-CE3 3.69Å; P488-W496 HydrophobicContact CG-CG 3.79Å; P488-W496 HydrophobicContact CG-CZ3 4.45Å; N489-W496 PolarHBondContact ND2-O 2.98Å; N489-W496 PolarHBondContact OD1-N 3.24Å; N489-W496 PolarHBondContact OD1-O 3.35Å; V494-W496 PolarHBondContact O-N 3.49Å; V494-W496 VanDerWaalsContact O-N 3.1Å; W496-L506 HydrophobicContact CB-CD2 3.92Å; W496-L506 HydrophobicContact CD2-CB 3.79Å; W496-L506 HydrophobicContact CD2-CD2 3.52Å; W496-L506 HydrophobicContact CD2-CG 4.31Å; W496-L506 HydrophobicContact CE3-CD2 3.55Å; W496-L506 HydrophobicContact CG-CB 3.75Å; W496-L506 HydrophobicContact CG-CD2 3.69Å; W496-L506 HydrophobicContact CG-CG 4.3Å; W496-L506 HydrophobicContact CZ2-CB 4.49Å; W496-L506 HydrophobicContact CZ3-CD2 4.3Å; W496-L508 HydrophobicContact CH2-CD1 4.16Å; W496-L508 HydrophobicContact CZ3-CD1 4.34Å
497P98.2Very high97.4Very high17 Ų1756.5 Ų56.511%0.1133%0.327CS..  trans-67.9142.6-179.828.8-34.7000111.1F418 K495 Y499 K504F418-P497 WeakPolarHBondContact CD1-O 3.49Å; K495-P497 WeakPolarHBondContact O-CD 3.48Å; P497-Y499 PolarHBondContact O-N 3.1Å; P497-K504 HydrophobicContact CB-CB 3.72Å; P497-K504 HydrophobicContact CB-CD 4.22Å; P497-K504 HydrophobicContact CG-CB 3.63Å
498R98.3Very high97.4Very high138 Ų13854.8 Ų54.852%0.52132%0.315SS..  trans-63.6134165.9-170.3178.6117.8170.1-0.3108.7D416 V417 F418 G500D416-R498 WeakPolarHBondContact OD1-CD 3.47Å; D416-R498 IonicContact OD1-CZ 3.36Å; D416-R498 IonicContact OD1-NE 2.82Å; D416-R498 IonicContact OD1-NH1 3.69Å; D416-R498 PolarHBondContact OD1-NH1 2.88Å; V417-R498 WeakPolarHBondContact O-CG 3.34Å; F418-R498 HydrophobicContact CE1-CB 4.16Å; F418-R498 HydrophobicContact CZ-CB 4.49Å; R498-G500 PolarHBondContact O-N 3.32Å; R498-G500 VanDerWaalsContact O-N 3.09Å
499Y98.6Very high97.3Very high2 Ų256.7 Ų56.71%0.00833%0.325CS..  trans-72.499.2174.2-172.2-101.3000109.3A407 N408 R411 V417 L419 P497 E503 K504A407-Y499 HydrophobicContact CB-CD1 4.14Å; A407-Y499 HydrophobicContact CB-CE1 3.92Å; N408-Y499 WeakPolarHBondContact OD1-CE1 3.44Å; N408-Y499 PolarHBondContact OD1-OH 2.79Å; R411-Y499 HydrophobicContact CB-CD1 4.29Å; V417-Y499 HydrophobicContact CG1-CD1 4.17Å; V417-Y499 HydrophobicContact CG1-CG 4.41Å; V417-Y499 WeakPolarHBondContact O-CB 3.5Å; V417-Y499 PolarHBondContact O-N 3.44Å; L419-Y499 HydrophobicContact CB-CD2 3.73Å; L419-Y499 HydrophobicContact CB-CE2 4.33Å; L419-Y499 HydrophobicContact CB-CG 4.14Å; L419-Y499 HydrophobicContact CD2-CD2 3.77Å; L419-Y499 HydrophobicContact CD2-CE2 3.47Å; L419-Y499 VanDerWaalsContact CD2-CE2 3.47Å; L419-Y499 HydrophobicContact CG-CD2 4.42Å; P497-Y499 PolarHBondContact O-N 3.1Å; Y499-E503 VanDerWaalsContact CE2-CA 3.49Å; Y499-E503 HydrophobicContact CE2-CB 3.77Å; Y499-E503 HydrophobicContact CE2-CG 4.33Å; Y499-K504 WeakPolarHBondContact CD2-O 3.45Å
500G97.2Very high97.1Very high18 Ų1856.4 Ų56.419%0.18632%0.324CS..SBendtrans-120.6-153.4-178.600000112.4R498 E502 E503R498-G500 PolarHBondContact O-N 3.32Å; R498-G500 VanDerWaalsContact O-N 3.09Å; G500-E502 PolarHBondContact O-N 3.03Å; G500-E503 PolarHBondContact O-N 3.19Å
501A96.4Very high96.9Very high104 Ų10464 Ų6486%0.8635%0.348SS*.THydrogen-bonded Turntrans-60.4-25.9178.400000113.5E503A501-E503 PolarHBondContact O-N 3.43Å
502E97.1Very high96.8Very high109 Ų10961.8 Ų61.851%0.50933%0.332SS..THydrogen-bonded Turntrans-79.6-4.5174.8-62.3-175.7166.800113.1G500 K504 Q517G500-E502 PolarHBondContact O-N 3.03Å; E502-K504 HydrophobicContact CB-CD 4.39Å; E502-K504 HydrophobicContact CB-CG 4.12Å; E502-K504 PolarHBondContact O-N 3.38Å; E502-K504 VanDerWaalsContact O-N 3.11Å; E502-K504 WeakPolarHBondContact OE2-CD 3.43Å; E502-K504 WeakPolarHBondContact OE2-CE 3.27Å; E502-K504 IonicContact OE2-NZ 2.67Å; E502-K504 PolarHBondContact OE2-NZ 3.44Å; E502-Q517 WeakPolarHBondContact O-CG 3.16Å; E502-Q517 PolarHBondContact O-NE2 2.69Å
503E97.8Very high97Very high55 Ų5558.8 Ų58.826%0.25729%0.294SS..  trans52.334.7178.3-57.1-179.6161.900114.2Y499 G500 A501 S518Y499-E503 VanDerWaalsContact CE2-CA 3.49Å; Y499-E503 HydrophobicContact CE2-CB 3.77Å; Y499-E503 HydrophobicContact CE2-CG 4.33Å; G500-E503 PolarHBondContact O-N 3.19Å; A501-E503 PolarHBondContact O-N 3.43Å; E503-S518 PolarHBondContact O-N 2.9Å; E503-S518 WeakPolarHBondContact OE2-CB 3.22Å; E503-S518 PolarHBondContact OE2-OG 2.88Å
504K98.4Very high97Very high74 Ų7460.2 Ų60.232%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-73.2136.3179.2-74178.8170.41600111.3P497 Y499 E502 G516P497-K504 HydrophobicContact CB-CB 3.72Å; P497-K504 HydrophobicContact CB-CD 4.22Å; P497-K504 HydrophobicContact CG-CB 3.63Å; Y499-K504 WeakPolarHBondContact CD2-O 3.45Å; E502-K504 HydrophobicContact CB-CD 4.39Å; E502-K504 HydrophobicContact CB-CG 4.12Å; E502-K504 PolarHBondContact O-N 3.38Å; E502-K504 VanDerWaalsContact O-N 3.11Å; E502-K504 WeakPolarHBondContact OE2-CD 3.43Å; E502-K504 WeakPolarHBondContact OE2-CE 3.27Å; E502-K504 IonicContact OE2-NZ 2.67Å; E502-K504 PolarHBondContact OE2-NZ 3.44Å; K504-G516 VanDerWaalsContact CA-O 3.27Å; K504-G516 WeakPolarHBondContact CA-O 3.2Å
505Y98.6Very high97Very high32 Ų3260.7 Ų60.713%0.12531%0.31CS..EExtended strand (participates in β ladder)trans-129.8166.2175.973.7-88.9000109.9L419 E421 S515 G516 L519L419-Y505 CarbonylContact O-C 3.55Å; L419-Y505 VanDerWaalsContact O-CA 3.28Å; L419-Y505 WeakPolarHBondContact O-CA 3.14Å; L419-Y505 VanDerWaalsContact O-CB 3.31Å; L419-Y505 WeakPolarHBondContact O-CB 3.14Å; E421-Y505 HydrophobicContact CB-CD2 4.23Å; E421-Y505 HydrophobicContact CB-CE2 3.82Å; Y505-S515 CarbonylContact O-C 3.5Å; Y505-S515 WeakPolarHBondContact O-CA 3.45Å; Y505-G516 PolarHBondContact N-O 2.88Å; Y505-G516 PolarHBondContact O-N 3.07Å; Y505-L519 HydrophobicContact CD1-CB 3.92Å; Y505-L519 HydrophobicContact CD2-CD1 4.46Å; Y505-L519 HydrophobicContact CE1-CB 4Å; Y505-L519 HydrophobicContact CE1-CD1 4.13Å; Y505-L519 HydrophobicContact CE2-CD1 4.05Å; Y505-L519 HydrophobicContact CG-CB 4.43Å
506L98.6Very high96.9Very high0 Ų053.9 Ų53.90%028%0.284CS..EExtended strand (participates in β ladder)trans-101.1121.8173.1-169.766.7000110.2L419 Y420 E421 Y478 V494 W496 L508 Q513L419-L506 PolarHBondContact O-N 3.37Å; Y420-L506 WeakPolarHBondContact CA-O 3.32Å; Y420-L506 VanDerWaalsContact CB-O 3.28Å; Y420-L506 WeakPolarHBondContact CB-O 3.36Å; E421-L506 PolarHBondContact N-O 3.4Å; Y478-L506 HydrophobicContact CE1-CD2 4.25Å; Y478-L506 HydrophobicContact CE2-CD2 4.17Å; V494-L506 HydrophobicContact CG1-CD1 4.3Å; W496-L506 HydrophobicContact CB-CD2 3.92Å; W496-L506 HydrophobicContact CD2-CB 3.79Å; W496-L506 HydrophobicContact CD2-CD2 3.52Å; W496-L506 HydrophobicContact CD2-CG 4.31Å; W496-L506 HydrophobicContact CE3-CD2 3.55Å; W496-L506 HydrophobicContact CG-CB 3.75Å; W496-L506 HydrophobicContact CG-CD2 3.69Å; W496-L506 HydrophobicContact CG-CG 4.3Å; W496-L506 HydrophobicContact CZ2-CB 4.49Å; W496-L506 HydrophobicContact CZ3-CD2 4.3Å; L506-L508 HydrophobicContact CD2-CD2 3.56Å; L506-L508 HydrophobicContact CD2-CG 4.34Å; L506-L508 HydrophobicContact CG-CD2 4Å; L506-L508 HydrophobicContact CG-CG 4.38Å; L506-Q513 HydrophobicContact CD1-CB 4.24Å
507S98.3Very high96.8Very high14 Ų1459.5 Ų59.510%0.09831%0.311CS..EExtended strand (participates in β ladder)trans-78.6125.2164.9-175.80000108.6E421 H423 Q513 V514E421-S507 CarbonylContact O-C 3.56Å; E421-S507 WeakPolarHBondContact O-CA 3.46Å; H423-S507 PolarHBondContact CD2-OG 3.17Å; H423-S507 PolarHBondContact NE2-OG 3.38Å; S507-Q513 VanDerWaalsContact O-CA 3.29Å; S507-Q513 WeakPolarHBondContact O-CA 3.43Å; S507-V514 WeakPolarHBondContact CB-O 3.28Å; S507-V514 PolarHBondContact N-O 3.49Å; S507-V514 PolarHBondContact O-N 3.1Å
508L98.4Very high96.8Very high0 Ų059.8 Ų59.80%031%0.313CS..EExtended strand (participates in β ladder)trans-109.598.8-177.8-66.7168.5000109.4Y420 E421 Y422 H423 M475 Y478 W479 W496 L506 Q513Y420-L508 HydrophobicContact CD2-CD1 3.86Å; Y420-L508 HydrophobicContact CG-CD1 3.81Å; E421-L508 PolarHBondContact O-N 2.93Å; Y422-L508 HydrophobicContact CD2-CB 3.81Å; H423-L508 PolarHBondContact N-O 3.11Å; M475-L508 HydrophobicContact CE-CD1 3.97Å; M475-L508 HydrophobicContact SD-CB 4.31Å; M475-L508 HydrophobicContact SD-CD1 3.86Å; M475-L508 HydrophobicContact SD-CD2 4.06Å; M475-L508 HydrophobicContact SD-CG 4.31Å; Y478-L508 HydrophobicContact CD2-CD2 4.24Å; Y478-L508 HydrophobicContact CE2-CD2 3.9Å; W479-L508 HydrophobicContact CH2-CD1 4.25Å; W479-L508 HydrophobicContact CZ3-CD1 4.32Å; W496-L508 HydrophobicContact CH2-CD1 4.16Å; W496-L508 HydrophobicContact CZ3-CD1 4.34Å; L506-L508 HydrophobicContact CD2-CD2 3.56Å; L506-L508 HydrophobicContact CD2-CG 4.34Å; L506-L508 HydrophobicContact CG-CD2 4Å; L506-L508 HydrophobicContact CG-CG 4.38Å; L508-Q513 HydrophobicContact CD2-CG 4.01Å
509D96.8Very high96.7Very high39 Ų3953.4 Ų53.421%0.20929%0.289CS..  trans-120.7156.6171.5-168.6-90.3000110.3H423 F471 K511 E512 Q513H423-D509 HydrophobicContact CB-CB 4.07Å; H423-D509 WeakPolarHBondContact CB-OD2 3.39Å; F471-D509 VanDerWaalsContact CE2-O 3.23Å; F471-D509 WeakPolarHBondContact CE2-O 2.98Å; D509-K511 VanDerWaalsContact C-N 3.26Å; D509-K511 PolarHBondContact O-N 3.1Å; D509-K511 PolarHBondContact OD1-N 3.27Å; D509-E512 WeakPolarHBondContact CB-O 3.48Å; D509-E512 PolarHBondContact N-O 3.1Å; D509-Q513 PolarHBondContact O-NE2 2.86Å
510L94Very high96.5Very high42 Ų4256.6 Ų56.622%0.2230%0.301CS..SBendtrans-57-39.9175.817462.8000112H424 E467 E468 F471H424-L510 HydrophobicContact CB-CB 4.2Å; H424-L510 VanDerWaalsContact CE1-CD2 3.49Å; H424-L510 WeakPolarHBondContact CE1-CD2 3.41Å; H424-L510 WeakPolarHBondContact ND1-CB 3.46Å; E467-L510 HydrophobicContact CB-CD1 4.11Å; E467-L510 HydrophobicContact CB-CD2 4.33Å; E467-L510 WeakPolarHBondContact O-CD1 3.35Å; E468-L510 HydrophobicContact CG-CD2 4.45Å; F471-L510 HydrophobicContact CB-CD1 3.38Å; F471-L510 HydrophobicContact CD1-CB 4.36Å; F471-L510 HydrophobicContact CD1-CD1 4.18Å; F471-L510 HydrophobicContact CG-CB 4.47Å; F471-L510 HydrophobicContact CG-CD1 3.86Å
511K91.6Very high96.5Very high190 Ų19061.4 Ų61.483%0.82632%0.317SS*.SBendtrans-81.5-39.4-174.6-66.1-177.5-179.4177.90113.1D509D509-K511 VanDerWaalsContact C-N 3.26Å; D509-K511 PolarHBondContact O-N 3.1Å; D509-K511 PolarHBondContact OD1-N 3.27Å
512E92.3Very high96.4Very high124 Ų12463 Ų6358%0.57931%0.311SS*.  trans-150.4143-17762.4-177.9-17800111.6D509 V514D509-E512 WeakPolarHBondContact CB-O 3.48Å; D509-E512 PolarHBondContact N-O 3.1Å; E512-V514 HydrophobicContact CB-CG1 4.18Å; E512-V514 HydrophobicContact CG-CG1 4.03Å
513Q96.3Very high96.3Very high28 Ų2860.8 Ų60.813%0.13130%0.298CS..EExtended strand (participates in β ladder)trans-107.8121.9165.8-598251.500107.7V494 L506 S507 L508 D509V494-Q513 HydrophobicContact CB-CB 4.08Å; V494-Q513 HydrophobicContact CG1-CB 4.48Å; V494-Q513 WeakPolarHBondContact CG1-O 3.21Å; V494-Q513 HydrophobicContact CG2-CB 4.09Å; L506-Q513 HydrophobicContact CD1-CB 4.24Å; S507-Q513 VanDerWaalsContact O-CA 3.29Å; S507-Q513 WeakPolarHBondContact O-CA 3.43Å; L508-Q513 HydrophobicContact CD2-CG 4.01Å; D509-Q513 PolarHBondContact O-NE2 2.86Å
514V96.6Very high96.3Very high59 Ų5960 Ų6036%0.35829%0.294SS..EExtended strand (participates in β ladder)trans-133.8142.3-172.1-65.30000110.7S507 E512 G516S507-V514 WeakPolarHBondContact CB-O 3.28Å; S507-V514 PolarHBondContact N-O 3.49Å; S507-V514 PolarHBondContact O-N 3.1Å; E512-V514 HydrophobicContact CB-CG1 4.18Å; E512-V514 HydrophobicContact CG-CG1 4.03Å; V514-G516 PolarHBondContact O-N 3.44Å
515S96.4Very high96.2Very high69 Ų6958.5 Ų58.548%0.48329%0.291SS..EExtended strand (participates in β ladder)trans-72.8120.7174.1-66.30000110Y505Y505-S515 CarbonylContact O-C 3.5Å; Y505-S515 WeakPolarHBondContact O-CA 3.45Å
516G96.1Very high96Very high16 Ų1657.9 Ų57.917%0.16529%0.289CS..EExtended strand (participates in β ladder)trans-97.5175.6167.100000111.6K504 Y505 V514K504-G516 VanDerWaalsContact CA-O 3.27Å; K504-G516 WeakPolarHBondContact CA-O 3.2Å; Y505-G516 PolarHBondContact N-O 2.88Å; Y505-G516 PolarHBondContact O-N 3.07Å; V514-G516 PolarHBondContact O-N 3.44Å
517Q97.6Very high95.7Very high120 Ų12058.4 Ų58.456%0.56129%0.292SS*.EExtended strand (participates in β ladder)trans-138.2141.3176.7173.116554.100110E502E502-Q517 WeakPolarHBondContact O-CG 3.16Å; E502-Q517 PolarHBondContact O-NE2 2.69Å
518S97.1Very high95.4Very high22 Ų2259.6 Ų59.615%0.15430%0.299CS..SBendtrans50.668.1175.2-59.50000113.1E503 R520 K521E503-S518 PolarHBondContact O-N 2.9Å; E503-S518 WeakPolarHBondContact OE2-CB 3.22Å; E503-S518 PolarHBondContact OE2-OG 2.88Å; S518-R520 PolarHBondContact O-N 2.91Å; S518-R520 VanDerWaalsContact O-N 3.12Å; S518-K521 PolarHBondContact O-N 3.21Å; S518-K521 VanDerWaalsContact O-N 3.13Å
519L97Very high95.1Very high5 Ų564.5 Ų64.53%0.02632%0.322CS..THydrogen-bonded Turntrans-48118-179.7-178.763.5000111.5V318 V404 L419 E421 Y505 K521V318-L519 HydrophobicContact CG2-CD2 4.07Å; V404-L519 HydrophobicContact CG2-CB 4.36Å; V404-L519 HydrophobicContact CG2-CD2 4.24Å; L419-L519 HydrophobicContact CD1-CD2 4.25Å; L419-L519 HydrophobicContact CD2-CB 4.02Å; L419-L519 HydrophobicContact CD2-CD2 3.94Å; L419-L519 HydrophobicContact CG-CD2 4.19Å; E421-L519 HydrophobicContact CB-CD1 3.78Å; E421-L519 HydrophobicContact CG-CD1 4.11Å; Y505-L519 HydrophobicContact CD1-CB 3.92Å; Y505-L519 HydrophobicContact CD2-CD1 4.46Å; Y505-L519 HydrophobicContact CE1-CB 4Å; Y505-L519 HydrophobicContact CE1-CD1 4.13Å; Y505-L519 HydrophobicContact CE2-CD1 4.05Å; Y505-L519 HydrophobicContact CG-CB 4.43Å; L519-K521 PolarHBondContact O-N 2.9Å; L519-K521 VanDerWaalsContact O-N 3.17Å
520R94.8Very high94.9Very high68 Ų6865 Ų6526%0.25733%0.326SS..THydrogen-bonded Turntrans49.837.6178.8-58.4-167177.8-132.6-7.3114.8N320 D396 E421 S518 D522 R523 F524N320-R520 PolarHBondContact O-NH2 3.09Å; D396-R520 WeakPolarHBondContact OD1-CD 3.44Å; D396-R520 IonicContact OD1-CZ 3.31Å; D396-R520 IonicContact OD1-NE 2.96Å; D396-R520 IonicContact OD1-NH1 3.06Å; D396-R520 PolarHBondContact OD1-NH1 3.32Å; E421-R520 IonicContact OE1-CZ 2.83Å; E421-R520 IonicContact OE1-NE 2.63Å; E421-R520 PolarHBondContact OE1-NE 3.14Å; E421-R520 IonicContact OE1-NH2 3.03Å; E421-R520 PolarHBondContact OE1-NH2 3.25Å; E421-R520 VanDerWaalsContact OE1-NH2 3.11Å; S518-R520 PolarHBondContact O-N 2.91Å; S518-R520 VanDerWaalsContact O-N 3.12Å; R520-D522 VanDerWaalsContact C-N 3.34Å; R520-D522 PolarHBondContact O-N 3.1Å; R520-D522 VanDerWaalsContact O-N 3.14Å; R520-R523 HydrophobicContact CB-CB 4.41Å; R520-R523 PolarHBondContact O-N 3.16Å; R520-F524 PolarHBondContact O-N 3.25Å
521K95.9Very high94.7Very high119 Ų11963 Ų6352%0.51732%0.316SS..Hα-helixtrans-42.7-52.4-174.9-171.2174.5-179.71710114.8S518 L519 R523 F524 V525S518-K521 PolarHBondContact O-N 3.21Å; S518-K521 VanDerWaalsContact O-N 3.13Å; L519-K521 PolarHBondContact O-N 2.9Å; L519-K521 VanDerWaalsContact O-N 3.17Å; K521-R523 VanDerWaalsContact C-N 3.35Å; K521-R523 PolarHBondContact O-N 2.81Å; K521-F524 PolarHBondContact O-N 3.16Å; K521-V525 HydrophobicContact CG-CG2 4.45Å; K521-V525 WeakPolarHBondContact O-CG2 3.45Å; K521-V525 PolarHBondContact O-N 3.47Å
522D95.6Very high94.6Very high137 Ų13756.7 Ų56.773%0.73329%0.294SS*.Hα-helixtrans-65.4-39.3-174.4-62.4-19.4000112R520 F526R520-D522 VanDerWaalsContact C-N 3.34Å; R520-D522 PolarHBondContact O-N 3.1Å; R520-D522 VanDerWaalsContact O-N 3.14Å; D522-F526 WeakPolarHBondContact O-CB 3.09Å; D522-F526 PolarHBondContact O-N 3.22Å
523R95.1Very high94.4Very high64 Ų6456.3 Ų56.324%0.24229%0.293CS..Hα-helixtrans-69-42.2175.2-66.4-67.2-165.9-159.94.8111.2T375 E392 D396 R520 K521 V525 F526 V527T375-R523 PolarHBondContact O-NH1 3.01Å; E392-R523 IonicContact OE2-CZ 3.23Å; E392-R523 IonicContact OE2-NH2 2.73Å; E392-R523 PolarHBondContact OE2-NH2 3.32Å; D396-R523 WeakPolarHBondContact OD2-CD 3.19Å; D396-R523 WeakPolarHBondContact OD2-CG 3.36Å; D396-R523 IonicContact OD2-NE 3.82Å; D396-R523 PolarHBondContact OD2-NE 3.28Å; R520-R523 HydrophobicContact CB-CB 4.41Å; R520-R523 PolarHBondContact O-N 3.16Å; K521-R523 VanDerWaalsContact C-N 3.35Å; K521-R523 PolarHBondContact O-N 2.81Å; R523-V525 PolarHBondContact O-N 3.02Å; R523-F526 PolarHBondContact O-N 3.33Å; R523-V527 WeakPolarHBondContact O-CG2 3.45Å; R523-V527 PolarHBondContact O-N 3.39Å
524F95.9Very high94Very high37 Ų3759.4 Ų59.416%0.16231%0.306CS..Hα-helixtrans-59.2-47175.4-176.1-94.3000111.7T401 V404 K405 R520 K521 V527 T528T401-F524 HydrophobicContact CG2-CD2 3.9Å; T401-F524 HydrophobicContact CG2-CE2 4.04Å; V404-F524 HydrophobicContact CB-CD2 3.71Å; V404-F524 HydrophobicContact CB-CE2 3.64Å; V404-F524 HydrophobicContact CG1-CD2 3.61Å; V404-F524 HydrophobicContact CG1-CE1 4.4Å; V404-F524 HydrophobicContact CG1-CE2 3.43Å; V404-F524 VanDerWaalsContact CG1-CE2 3.43Å; V404-F524 HydrophobicContact CG1-CG 4.18Å; V404-F524 HydrophobicContact CG1-CZ 3.86Å; V404-F524 HydrophobicContact CG2-CD2 4.48Å; K405-F524 HydrophobicContact CG-CE2 4.02Å; K405-F524 HydrophobicContact CG-CZ 4.36Å; R520-F524 PolarHBondContact O-N 3.25Å; K521-F524 PolarHBondContact O-N 3.16Å; F524-V527 PolarHBondContact O-N 3Å; F524-T528 HydrophobicContact CD1-CG2 4.47Å; F524-T528 HydrophobicContact CD2-CG2 4.17Å; F524-T528 HydrophobicContact CE1-CG2 4.17Å; F524-T528 HydrophobicContact CE2-CG2 3.84Å; F524-T528 HydrophobicContact CG-CG2 4.48Å; F524-T528 HydrophobicContact CZ-CG2 3.84Å; F524-T528 WeakPolarHBondContact O-CB 3.41Å; F524-T528 WeakPolarHBondContact O-CG2 3.08Å; F524-T528 PolarHBondContact O-N 2.75Å; F524-T528 PolarHBondContact O-OG1 3.22Å
525V96.3Very high93.5Very high44 Ų4457.2 Ų57.227%0.26729%0.292SS..Hα-helixtrans-63.4-41.9176.8170.10000111.2K521 R523 Q529 T530K521-V525 HydrophobicContact CG-CG2 4.45Å; K521-V525 WeakPolarHBondContact O-CG2 3.45Å; K521-V525 PolarHBondContact O-N 3.47Å; R523-V525 PolarHBondContact O-N 3.02Å; V525-Q529 WeakPolarHBondContact O-CA 3.32Å; V525-Q529 WeakPolarHBondContact O-CB 3.04Å; V525-Q529 PolarHBondContact O-N 3.17Å; V525-T530 PolarHBondContact O-N 2.99Å; V525-T530 VanDerWaalsContact O-N 3.11Å
526F94.3Very high92.9Very high19 Ų1960 Ų608%0.08330%0.295CS..Iπ-helixtrans-58-53.5175.3171.6-102000111.9T375 Y376 D522 R523 T530 L531T375-F526 HydrophobicContact CG2-CD1 4.11Å; T375-F526 HydrophobicContact CG2-CD2 4.01Å; T375-F526 HydrophobicContact CG2-CE1 3.88Å; T375-F526 HydrophobicContact CG2-CE2 3.77Å; T375-F526 HydrophobicContact CG2-CG 4.17Å; T375-F526 HydrophobicContact CG2-CZ 3.7Å; T375-F526 WeakPolarHBondContact OG1-CE2 3.35Å; T375-F526 WeakPolarHBondContact OG1-CZ 3.47Å; Y376-F526 HydrophobicContact CE2-CE1 4.13Å; D522-F526 WeakPolarHBondContact O-CB 3.09Å; D522-F526 PolarHBondContact O-N 3.22Å; R523-F526 PolarHBondContact O-N 3.33Å; F526-T530 HydrophobicContact CD2-CG2 4.31Å; F526-T530 PolarHBondContact O-N 3.41Å; F526-L531 HydrophobicContact CE1-CB 4.42Å; F526-L531 HydrophobicContact CE1-CD2 4.3Å; F526-L531 HydrophobicContact CE2-CB 4.34Å; F526-L531 HydrophobicContact CZ-CB 4.19Å; F526-L531 HydrophobicContact CZ-CD1 4.39Å; F526-L531 HydrophobicContact CZ-CD2 4.45Å; F526-L531 VanDerWaalsContact O-CB 3.27Å; F526-L531 WeakPolarHBondContact O-CB 3.3Å; F526-L531 PolarHBondContact O-N 3.39Å
527V92.4Very high92.4Very high10 Ų1065.2 Ų65.26%0.06131%0.313CS..Iπ-helixtrans-67.8-40.2-175.7177.60000111.8F397 T401 R523 F524 P532F397-V527 HydrophobicContact CD1-CG1 4.13Å; F397-V527 HydrophobicContact CD2-CG2 4.19Å; F397-V527 HydrophobicContact CE1-CG1 3.82Å; F397-V527 HydrophobicContact CE1-CG2 4.26Å; F397-V527 HydrophobicContact CE2-CG2 3.72Å; F397-V527 HydrophobicContact CZ-CG1 4.14Å; F397-V527 HydrophobicContact CZ-CG2 3.77Å; T401-V527 HydrophobicContact CG2-CB 4.2Å; T401-V527 HydrophobicContact CG2-CG1 3.89Å; R523-V527 WeakPolarHBondContact O-CG2 3.45Å; R523-V527 PolarHBondContact O-N 3.39Å; F524-V527 PolarHBondContact O-N 3Å; V527-P532 VanDerWaalsContact O-CD 3.28Å; V527-P532 WeakPolarHBondContact O-CD 3.22Å
528T92Very high91.5Very high40 Ų4061.9 Ų61.925%0.24530%0.299CS..Iπ-helixtrans-92.8-18.7-17161.60000114.8T401 F524T401-T528 HydrophobicContact CG2-CG2 3.65Å; F524-T528 HydrophobicContact CD1-CG2 4.47Å; F524-T528 HydrophobicContact CD2-CG2 4.17Å; F524-T528 HydrophobicContact CE1-CG2 4.17Å; F524-T528 HydrophobicContact CE2-CG2 3.84Å; F524-T528 HydrophobicContact CG-CG2 4.48Å; F524-T528 HydrophobicContact CZ-CG2 3.84Å; F524-T528 WeakPolarHBondContact O-CB 3.41Å; F524-T528 WeakPolarHBondContact O-CG2 3.08Å; F524-T528 PolarHBondContact O-N 2.75Å; F524-T528 PolarHBondContact O-OG1 3.22Å
529Q92.8Very high90.5Very high102 Ų10264.9 Ų64.948%0.47731%0.311SS..Iπ-helixtrans-127.4-61.5-175.8-57.1175.810.100111.2V525 L531 P532 E533V525-Q529 WeakPolarHBondContact O-CA 3.32Å; V525-Q529 WeakPolarHBondContact O-CB 3.04Å; V525-Q529 PolarHBondContact O-N 3.17Å; Q529-L531 PolarHBondContact O-N 3.03Å; Q529-P532 WeakPolarHBondContact O-CD 3.42Å; Q529-E533 WeakPolarHBondContact O-CB 3.4Å; Q529-E533 WeakPolarHBondContact O-CG 3.5Å; Q529-E533 PolarHBondContact O-N 3.01Å; Q529-E533 VanDerWaalsContact O-N 3.12Å
530T92.6Very high89.7Confident50 Ų5068.7 Ų68.731%0.30733%0.328SS..Iπ-helixtrans-65.1-44.1-170.7-51.90000112.8V525 F526 K534V525-T530 PolarHBondContact O-N 2.99Å; V525-T530 VanDerWaalsContact O-N 3.11Å; F526-T530 HydrophobicContact CD2-CG2 4.31Å; F526-T530 PolarHBondContact O-N 3.41Å; T530-K534 HydrophobicContact CG2-CD 4.33Å; T530-K534 WeakPolarHBondContact O-CG 3.39Å; T530-K534 PolarHBondContact O-N 2.87Å; T530-K534 VanDerWaalsContact O-N 3.1Å
531L90.3Very high88.7Confident0 Ų070.5 Ų70.50%034%0.343CS..Hα-helixtrans-66.6-50.9-178.6175.363.1000111.6L357 L371 I372 F397 F526 Q529 E533 K534 I535L357-L531 HydrophobicContact CD1-CD2 4.06Å; L357-L531 HydrophobicContact CD2-CD2 4.16Å; L371-L531 HydrophobicContact CD2-CD1 3.61Å; L371-L531 HydrophobicContact CG-CD1 4.24Å; I372-L531 HydrophobicContact CD1-CD1 4.48Å; I372-L531 HydrophobicContact CD1-CD2 4.11Å; I372-L531 HydrophobicContact CG1-CD1 3.97Å; I372-L531 HydrophobicContact CG1-CD2 3.97Å; F397-L531 HydrophobicContact CE1-CD2 4.11Å; F397-L531 HydrophobicContact CZ-CD2 3.74Å; F526-L531 HydrophobicContact CE1-CB 4.42Å; F526-L531 HydrophobicContact CE1-CD2 4.3Å; F526-L531 HydrophobicContact CE2-CB 4.34Å; F526-L531 HydrophobicContact CZ-CB 4.19Å; F526-L531 HydrophobicContact CZ-CD1 4.39Å; F526-L531 HydrophobicContact CZ-CD2 4.45Å; F526-L531 VanDerWaalsContact O-CB 3.27Å; F526-L531 WeakPolarHBondContact O-CB 3.3Å; F526-L531 PolarHBondContact O-N 3.39Å; Q529-L531 PolarHBondContact O-N 3.03Å; L531-E533 VanDerWaalsContact C-N 3.34Å; L531-E533 PolarHBondContact O-N 2.89Å; L531-K534 PolarHBondContact O-N 3.41Å; L531-K534 VanDerWaalsContact O-N 3.16Å; L531-I535 HydrophobicContact CD1-CD1 3.92Å; L531-I535 HydrophobicContact CD1-CG1 4.17Å; L531-I535 HydrophobicContact CG-CD1 3.85Å; L531-I535 VanDerWaalsContact O-CG1 3.32Å; L531-I535 WeakPolarHBondContact O-CG1 3.37Å; L531-I535 PolarHBondContact O-N 3.49Å
532P88.8Confident87.4Confident57 Ų5768 Ų6837%0.3734%0.338SS..Hα-helixtrans-54.9-43.1173.4-28.835.1000114.3V527 Q529 K534 I535 K536V527-P532 VanDerWaalsContact O-CD 3.28Å; V527-P532 WeakPolarHBondContact O-CD 3.22Å; Q529-P532 WeakPolarHBondContact O-CD 3.42Å; P532-K534 VanDerWaalsContact C-N 3.33Å; P532-K534 PolarHBondContact O-N 2.91Å; P532-I535 PolarHBondContact O-N 3.44Å; P532-K536 PolarHBondContact O-N 2.69Å
533E89.4Confident85.9Confident117 Ų11767.9 Ų67.955%0.54733%0.332SS..Hα-helixtrans-62.4-39.4177.4-76.2178.5-175.800112.7Q529 L531 K537Q529-E533 WeakPolarHBondContact O-CB 3.4Å; Q529-E533 WeakPolarHBondContact O-CG 3.5Å; Q529-E533 PolarHBondContact O-N 3.01Å; Q529-E533 VanDerWaalsContact O-N 3.12Å; L531-E533 VanDerWaalsContact C-N 3.34Å; L531-E533 PolarHBondContact O-N 2.89Å; E533-K537 WeakPolarHBondContact O-CG 3.31Å; E533-K537 PolarHBondContact O-N 3.09Å; E533-K537 VanDerWaalsContact O-N 3.16Å
534K87.6Confident84.4Confident93 Ų9371.4 Ų71.440%0.40435%0.352SS..Hα-helixtrans-69.4-41.5177-76.2-175.9172.9-1610112L371 T530 L531 P532 K536 K537 L538L371-K534 HydrophobicContact CD1-CD 3.63Å; L371-K534 HydrophobicContact CD2-CB 3.65Å; L371-K534 HydrophobicContact CD2-CD 3.46Å; L371-K534 VanDerWaalsContact CD2-CD 3.46Å; L371-K534 HydrophobicContact CD2-CG 4.22Å; L371-K534 HydrophobicContact CG-CD 4.19Å; T530-K534 HydrophobicContact CG2-CD 4.33Å; T530-K534 WeakPolarHBondContact O-CG 3.39Å; T530-K534 PolarHBondContact O-N 2.87Å; T530-K534 VanDerWaalsContact O-N 3.1Å; L531-K534 PolarHBondContact O-N 3.41Å; L531-K534 VanDerWaalsContact O-N 3.16Å; P532-K534 VanDerWaalsContact C-N 3.33Å; P532-K534 PolarHBondContact O-N 2.91Å; K534-K536 VanDerWaalsContact C-N 3.31Å; K534-K536 PolarHBondContact O-N 2.75Å; K534-K537 PolarHBondContact O-N 3.13Å; K534-L538 WeakPolarHBondContact O-CG 3.42Å; K534-L538 PolarHBondContact O-N 3.48Å
535I84.8Confident82.7Confident13 Ų1374 Ų747%0.06738%0.375CS..Hα-helixtrans-58.4-46.8175.1-68.5163.5000110L357 L359 I368 L531 P532 K537 L538 Q539L357-I535 HydrophobicContact CD1-CD1 3.94Å; L359-I535 HydrophobicContact CD1-CD1 4.24Å; L359-I535 HydrophobicContact CD2-CG2 4.35Å; I368-I535 HydrophobicContact CD1-CB 4.44Å; I368-I535 HydrophobicContact CD1-CG1 3.95Å; I368-I535 HydrophobicContact CD1-CG2 3.92Å; I368-I535 HydrophobicContact CG1-CG1 3.96Å; I368-I535 HydrophobicContact CG2-CD1 4.08Å; I368-I535 HydrophobicContact CG2-CG1 4.01Å; L531-I535 HydrophobicContact CD1-CD1 3.92Å; L531-I535 HydrophobicContact CD1-CG1 4.17Å; L531-I535 HydrophobicContact CG-CD1 3.85Å; L531-I535 VanDerWaalsContact O-CG1 3.32Å; L531-I535 WeakPolarHBondContact O-CG1 3.37Å; L531-I535 PolarHBondContact O-N 3.49Å; P532-I535 PolarHBondContact O-N 3.44Å; I535-K537 VanDerWaalsContact C-N 3.34Å; I535-K537 PolarHBondContact O-N 3.44Å; I535-L538 PolarHBondContact O-N 2.83Å; I535-Q539 WeakPolarHBondContact O-CG 3.22Å; I535-Q539 PolarHBondContact O-N 2.79Å
536K84.9Confident80.8Confident128 Ų12879.7 Ų79.756%0.55740%0.398SS*.Hα-helixtrans-58.5-44.6178.1-175.8178.5173.6-176.20112.3P532 K534 Q539 E540P532-K536 PolarHBondContact O-N 2.69Å; K534-K536 VanDerWaalsContact C-N 3.31Å; K534-K536 PolarHBondContact O-N 2.75Å; K536-Q539 PolarHBondContact O-N 2.9Å; K536-E540 WeakPolarHBondContact CE-OE1 3.24Å; K536-E540 IonicContact NZ-OE1 3.45Å; K536-E540 WeakPolarHBondContact O-CG 3.36Å; K536-E540 PolarHBondContact O-N 2.84Å
537K84.4Confident78.5Confident125 Ų12588.1 Ų88.154%0.54344%0.443SS..Hα-helixtrans-62.9-43.9177.1-73.3174.4-178.8174.80112.4E533 K534 I535 Q539 E540 D541E533-K537 WeakPolarHBondContact O-CG 3.31Å; E533-K537 PolarHBondContact O-N 3.09Å; E533-K537 VanDerWaalsContact O-N 3.16Å; K534-K537 PolarHBondContact O-N 3.13Å; I535-K537 VanDerWaalsContact C-N 3.34Å; I535-K537 PolarHBondContact O-N 3.44Å; K537-Q539 VanDerWaalsContact C-N 3.28Å; K537-Q539 PolarHBondContact O-N 3.33Å; K537-E540 PolarHBondContact O-N 3.49Å; K537-D541 PolarHBondContact O-N 3.47Å
538L79.3Confident77.8Confident49 Ų4992.1 Ų92.126%0.25746%0.462SS..Hα-helixtrans-58.8-42.3176.3-71.6168.9000111.3A367 I368 K534 I535 D541 V542A367-L538 HydrophobicContact CB-CD1 3.99Å; A367-L538 HydrophobicContact CB-CD2 4.2Å; I368-L538 HydrophobicContact CG1-CD1 4.04Å; K534-L538 WeakPolarHBondContact O-CG 3.42Å; K534-L538 PolarHBondContact O-N 3.48Å; I535-L538 PolarHBondContact O-N 2.83Å; L538-D541 PolarHBondContact O-N 3.15Å; L538-V542 WeakPolarHBondContact O-CG2 3.16Å; L538-V542 PolarHBondContact O-N 3.42Å; L538-V542 VanDerWaalsContact O-N 3.15Å
539Q75.9Confident77Confident86 Ų8694.8 Ų94.840%0.40247%0.474SS..Hα-helixtrans-66.4-38.7177.4-69.7172.5-18.700112.9I535 K536 K537 Q543I535-Q539 WeakPolarHBondContact O-CG 3.22Å; I535-Q539 PolarHBondContact O-N 2.79Å; K536-Q539 PolarHBondContact O-N 2.9Å; K537-Q539 VanDerWaalsContact C-N 3.28Å; K537-Q539 PolarHBondContact O-N 3.33Å; Q539-Q543 WeakPolarHBondContact O-CG 3.23Å; Q539-Q543 PolarHBondContact O-N 3.21Å
540E80.5Confident76.1Confident84 Ų8494.4 Ų94.439%0.39347%0.473SS..Hα-helixtrans-65.6-42.4174.9-72.8172.3175.400111.7K536 K537 V542 Q543 H544K536-E540 WeakPolarHBondContact CE-OE1 3.24Å; K536-E540 IonicContact NZ-OE1 3.45Å; K536-E540 WeakPolarHBondContact O-CG 3.36Å; K536-E540 PolarHBondContact O-N 2.84Å; K537-E540 PolarHBondContact O-N 3.49Å; E540-V542 PolarHBondContact O-N 3.1Å; E540-Q543 PolarHBondContact O-N 3.35Å; E540-H544 PolarHBondContact O-CD2 3.47Å; E540-H544 PolarHBondContact O-N 2.93Å; E540-H544 VanDerWaalsContact O-N 3.1Å
541D73.9Confident75.2Confident106 Ų10697 Ų9757%0.56748%0.483SS*.Hα-helixtrans-65.3-38.5-179.6-72.4-21.9000112.3K537 L538 H544 S545K537-D541 PolarHBondContact O-N 3.47Å; L538-D541 PolarHBondContact O-N 3.15Å; D541-H544 PolarHBondContact O-N 3.1Å; D541-S545 PolarHBondContact O-N 3.35Å; D541-S545 VanDerWaalsContact O-N 3.1Å
542V68.9Low74.2Confident68 Ų68103.1 Ų103.141%0.41251%0.513SS..Hα-helixtrans-62.9-47.2175.2172.80000110.8L538 E540 H544 S545 E546L538-V542 WeakPolarHBondContact O-CG2 3.16Å; L538-V542 PolarHBondContact O-N 3.42Å; L538-V542 VanDerWaalsContact O-N 3.15Å; E540-V542 PolarHBondContact O-N 3.1Å; V542-H544 VanDerWaalsContact C-N 3.26Å; V542-H544 PolarHBondContact O-N 2.77Å; V542-S545 PolarHBondContact O-N 3.29Å; V542-S545 PolarHBondContact O-OG 3.3Å; V542-E546 PolarHBondContact O-N 3.06Å
543Q63.3Low73.3Confident133 Ų133106.1 Ų106.162%0.62152%0.523SS*.Hα-helixtrans-61.2-33.8177.8-73-176.8-0.400112.9Q539 E540Q539-Q543 WeakPolarHBondContact O-CG 3.23Å; Q539-Q543 PolarHBondContact O-N 3.21Å; E540-Q543 PolarHBondContact O-N 3.35Å
544H64.5Low72.1Confident139 Ų139105.4 Ų105.464%0.64452%0.521SS*.Hα-helixtrans-75.2-23.2175.8-80.6-56.4000114.1E540 D541 V542E540-H544 PolarHBondContact O-CD2 3.47Å; E540-H544 PolarHBondContact O-N 2.93Å; E540-H544 VanDerWaalsContact O-N 3.1Å; D541-H544 PolarHBondContact O-N 3.1Å; V542-H544 VanDerWaalsContact C-N 3.26Å; V542-H544 PolarHBondContact O-N 2.77Å
545S60.4Low70.9Confident92 Ų92106.3 Ų106.364%0.64353%0.53SS*.Hα-helixtrans-83.7-17.8177.871.40000114.3D541 V542D541-S545 PolarHBondContact O-N 3.35Å; D541-S545 VanDerWaalsContact O-N 3.1Å; V542-S545 PolarHBondContact O-N 3.29Å; V542-S545 PolarHBondContact O-OG 3.3Å
546E55Low69.8Low163 Ų163114.1 Ų114.176%0.76257%0.569SS**  trans-93-6.1177.7-66.5-172.7160.300113.9V542V542-E546 PolarHBondContact O-N 3.06Å
547L46.1Very low68.4Low196 Ų196112.8 Ų112.8100%1.02657%0.57SS**  trans-98.30173.4-76.9165.8000111.1

Retrieved 547 of 547 residues in 202.1 ms (Link to these results)

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