A0A087YSC7_POEFO Loading...

Interferon regulatory factor 2 binding protein 1

Acts as a transcriptional repressor.

AlphaFold DB , UniProt , Accession A0A087YSC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 550 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
1S36.8Very low60.9Low180 Ų180127.7 Ų127.7100%1.25972%0.716SS**  0115.40-48.50000109.2
2A37Very low63.9Low107 Ų107117.1 Ų117.188%0.88466%0.657SS**PPolyproline II helixtrans-84.2131.7176.200000110
3S44Very low66.4Low115 Ų115113.2 Ų113.280%0.80463%0.626SS**PPolyproline II helixtrans-73127174.539.60000110.4
4Q42.6Very low68.5Low182 Ų182108.4 Ų108.485%0.8560%0.599SS**PPolyproline II helixtrans-61.4135.9170.6-70.9179.7-27.100109.9S6Q4-S6 PolarHBondContact O-N 3.22Å; Q4-S6 VanDerWaalsContact O-N 3.16Å
5P46.4Very low70.3Confident126 Ų126104.5 Ų104.582%0.81858%0.581SS**PPolyproline II helixtrans-63.8117.6169.727.2-32.8000108.4S7P5-S7 PolarHBondContact O-N 2.94Å
6S50Low71.8Confident80 Ų80104 Ų10456%0.55958%0.577SS**PPolyproline II helixtrans-66.1125.1-172.769.20000110.7Q4 R8Q4-S6 PolarHBondContact O-N 3.22Å; Q4-S6 VanDerWaalsContact O-N 3.16Å; S6-R8 PolarHBondContact O-N 3.01Å
7S61.3Low73.2Confident99 Ų99103.1 Ų103.169%0.69257%0.57SS**  trans-73.758.2174.7-162.60000111.4P5P5-S7 PolarHBondContact O-N 2.94Å
8R76.4Confident74.4Confident181 Ų18199.9 Ų99.968%0.68356%0.555SS**  trans-89.5120.1179.1-77.1-178172.6-125.6-1.9109.3S6 Q10S6-R8 PolarHBondContact O-N 3.01Å; R8-Q10 PolarHBondContact O-NE2 3.36Å
9R89.4Confident75.4Confident154 Ų15497.6 Ų97.658%0.58154%0.539SS*.  trans-59.9140.4172.1-66.1175.4-176.8-101.1-1.8110.1P18 K19 M20R9-P18 HydrophobicContact CB-CB 4.07Å; R9-K19 CarbonylContact C-O 3.55Å; R9-K19 WeakPolarHBondContact CA-O 3.41Å; R9-K19 WeakPolarHBondContact CB-O 3.37Å; R9-M20 HydrophobicContact CG-SD 3.92Å
10Q91.4Very high76.2Confident70 Ų7095 Ų9533%0.32752%0.523SS..EExtended strand (participates in β ladder)trans-109.7147.1178.6-56.3-55.3-41.900108.8R8 P18 K19 P21 M24 W26R8-Q10 PolarHBondContact O-NE2 3.36Å; Q10-P18 CarbonylContact O-C 3.58Å; Q10-P18 WeakPolarHBondContact O-CA 3.3Å; Q10-K19 PolarHBondContact N-O 2.8Å; Q10-K19 PolarHBondContact O-N 3.23Å; Q10-P21 HydrophobicContact CG-CG 4.49Å; Q10-M24 HydrophobicContact CB-CG 3.97Å; Q10-W26 HydrophobicContact CB-CH2 4.25Å; Q10-W26 HydrophobicContact CB-CZ2 4.4Å; Q10-W26 HydrophobicContact CG-CH2 4.02Å; Q10-W26 HydrophobicContact CG-CZ2 4.06Å
11W94.8Very high76.8Confident111 Ų11193 Ų9342%0.4252%0.515SS..EExtended strand (participates in β ladder)trans-91.1138.4-176.5-66.770.8000109.5D16 P18 M24 R65W11-D16 VanDerWaalsContact CE3-O 3.28Å; W11-D16 VanDerWaalsContact CE3-OD1 3.31Å; W11-D16 VanDerWaalsContact CZ3-O 3.24Å; W11-D16 WeakPolarHBondContact CZ3-O 3.21Å; W11-P18 HydrophobicContact CD2-CB 4.23Å; W11-P18 HydrophobicContact CH2-CG 4.27Å; W11-P18 HydrophobicContact CZ2-CB 4.17Å; W11-P18 HydrophobicContact CZ2-CG 4.27Å; W11-M24 WeakPolarHBondContact O-CE 3.49Å; W11-R65 VanDerWaalsContact CD1-NH2 3.29Å
12C96.7Very high79.3Confident0 Ų093.2 Ų93.20%049%0.488CS..  trans-86.8123175.6176.80000110.4L14 C15 D16 L17 K19 M24 C33C12-L14 VanDerWaalsContact C-N 3.29Å; C12-L14 PolarHBondContact O-N 3.24Å; C12-C15 PolarHBondContact O-N 2.92Å; C12-D16 WeakPolarHBondContact O-CA 3.43Å; C12-D16 PolarHBondContact O-N 3.35Å; C12-L17 PolarHBondContact N-O 3.1Å; C12-L17 VanDerWaalsContact N-O 3.15Å; C12-K19 HydrophobicContact CB-CG 4.46Å; C12-M24 HydrophobicContact CB-CE 4.36Å; C12-M24 HydrophobicContact CB-SD 4.48Å; C12-C33 HydrophobicContact CB-CB 4Å; C12-C33 PolarHBondContact SG-N 3.39Å; C12-C33 VanDerWaalsContact SG-SG 3.62Å
13Y96.6Very high82Confident66 Ų6688.9 Ų88.926%0.25945%0.452SS..THydrogen-bonded Turntrans-56.9-37.9-176-166.9-91.7000113.9E30 A31 I49 A52 R53Y13-E30 HydrophobicContact CD1-CB 4.09Å; Y13-E30 HydrophobicContact CD1-CG 4Å; Y13-E30 HydrophobicContact CD2-CB 3.73Å; Y13-E30 HydrophobicContact CD2-CG 3.58Å; Y13-E30 HydrophobicContact CE1-CG 4.08Å; Y13-E30 HydrophobicContact CE2-CB 4.34Å; Y13-E30 VanDerWaalsContact CE2-CD 3.4Å; Y13-E30 HydrophobicContact CE2-CG 3.66Å; Y13-E30 HydrophobicContact CG-CB 3.59Å; Y13-E30 HydrophobicContact CG-CG 3.75Å; Y13-A31 PolarHBondContact N-O 3.44Å; Y13-I49 HydrophobicContact CD1-CG1 4.37Å; Y13-I49 HydrophobicContact CD1-CG2 4.38Å; Y13-I49 HydrophobicContact CE1-CG2 4.19Å; Y13-A52 HydrophobicContact CD1-CB 4.5Å; Y13-A52 HydrophobicContact CE1-CB 4.02Å; Y13-R53 WeakPolarHBondContact OH-CB 3.23Å
14L96Very high84.5Confident46 Ų4683.6 Ų83.624%0.24142%0.415CS..THydrogen-bonded Turntrans-83.7-29.2-174.1-67.1-179.2000115.1C12 V32 C36 I45 L48 I49 A52C12-L14 VanDerWaalsContact C-N 3.29Å; C12-L14 PolarHBondContact O-N 3.24Å; L14-V32 HydrophobicContact CD1-CG1 3.96Å; L14-V32 HydrophobicContact CD1-CG2 4.12Å; L14-V32 HydrophobicContact CG-CG1 4.43Å; L14-V32 HydrophobicContact CG-CG2 4Å; L14-C36 HydrophobicContact CB-CB 4.48Å; L14-C36 HydrophobicContact CD1-CB 4.26Å; L14-I45 HydrophobicContact CD1-CD1 3.73Å; L14-I45 HydrophobicContact CD1-CG2 4.25Å; L14-L48 HydrophobicContact CD1-CB 4.14Å; L14-L48 HydrophobicContact CD2-CB 4Å; L14-I49 HydrophobicContact CD2-CG1 4.11Å; L14-I49 HydrophobicContact CG-CG1 4.38Å; L14-A52 HydrophobicContact CD2-CB 4.19Å
15C95Very high87Confident50 Ų5076 Ų7634%0.33838%0.38SS..THydrogen-bonded Turntrans-118.13.4179.861.70000114.5C12 L17C12-C15 PolarHBondContact O-N 2.92Å; C15-L17 WeakPolarHBondContact O-CG 3.35Å; C15-L17 PolarHBondContact O-N 2.88Å
16D95.1Very high89.3Confident97 Ų9777.4 Ų77.452%0.51937%0.369SS..  trans42.738.4-177.7-155.124.7000115.1W11 C12W11-D16 VanDerWaalsContact CE3-O 3.28Å; W11-D16 VanDerWaalsContact CE3-OD1 3.31Å; W11-D16 VanDerWaalsContact CZ3-O 3.24Å; W11-D16 WeakPolarHBondContact CZ3-O 3.21Å; C12-D16 WeakPolarHBondContact O-CA 3.43Å; C12-D16 PolarHBondContact O-N 3.35Å
17L94.4Very high91.4Very high88 Ų8881.1 Ų81.146%0.46138%0.378SS..  trans-111137.6179.1-76.4174.4000111.9C12 C15 K19C12-L17 PolarHBondContact N-O 3.1Å; C12-L17 VanDerWaalsContact N-O 3.15Å; C15-L17 WeakPolarHBondContact O-CG 3.35Å; C15-L17 PolarHBondContact O-N 2.88Å; L17-K19 HydrophobicContact CB-CD 4.4Å; L17-K19 PolarHBondContact O-N 3.1Å
18P94.6Very high93Very high46 Ų4678.3 Ų78.330%0.29935%0.353SS..EExtended strand (participates in β ladder)trans-76.4108.917929.6-34.1000112R9 Q10 W11R9-P18 HydrophobicContact CB-CB 4.07Å; Q10-P18 CarbonylContact O-C 3.58Å; Q10-P18 WeakPolarHBondContact O-CA 3.3Å; W11-P18 HydrophobicContact CD2-CB 4.23Å; W11-P18 HydrophobicContact CH2-CG 4.27Å; W11-P18 HydrophobicContact CZ2-CB 4.17Å; W11-P18 HydrophobicContact CZ2-CG 4.27Å
19K94.1Very high93.9Very high57 Ų5773.1 Ų73.125%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-102.2166.4178-47.9-56.3-174.3179.60111.8R9 Q10 C12 L17 A23 M24 C33R9-K19 CarbonylContact C-O 3.55Å; R9-K19 WeakPolarHBondContact CA-O 3.41Å; R9-K19 WeakPolarHBondContact CB-O 3.37Å; Q10-K19 PolarHBondContact N-O 2.8Å; Q10-K19 PolarHBondContact O-N 3.23Å; C12-K19 HydrophobicContact CB-CG 4.46Å; L17-K19 HydrophobicContact CB-CD 4.4Å; L17-K19 PolarHBondContact O-N 3.1Å; K19-A23 HydrophobicContact CB-CB 4.24Å; K19-M24 HydrophobicContact CB-SD 3.86Å; K19-M24 HydrophobicContact CG-SD 4.11Å; K19-C33 HydrophobicContact CB-CB 4.45Å; K19-C33 HydrophobicContact CD-CB 4.49Å; K19-C33 HydrophobicContact CG-CB 3.66Å
20M92.1Very high94.2Very high45 Ų4568.9 Ų68.922%0.22233%0.331CS..  trans-75.2150.2171.3-62.7-58-68.500110.4R9 W22 A23R9-M20 HydrophobicContact CG-SD 3.92Å; M20-W22 HydrophobicContact CB-CD2 4.21Å; M20-W22 HydrophobicContact CB-CG 4.17Å; M20-W22 HydrophobicContact CB-CZ2 4.21Å; M20-W22 VanDerWaalsContact CB-NE1 3.3Å; M20-W22 HydrophobicContact CG-CZ2 4.3Å; M20-W22 PolarHBondContact O-N 3.14Å; M20-W22 VanDerWaalsContact O-N 3.13Å; M20-A23 WeakPolarHBondContact O-CB 3.22Å; M20-A23 PolarHBondContact O-N 2.67Å
21P89.3Confident94.4Very high54 Ų5466.5 Ų66.535%0.35132%0.324SS..G310 helixtrans-54.2-35-179.5-28.835.8000114.5Q10 A23 M24Q10-P21 HydrophobicContact CG-CG 4.49Å; P21-A23 PolarHBondContact O-N 3.31Å; P21-M24 PolarHBondContact O-N 3.01Å
22W88.6Confident94.5Very high183 Ų18361.2 Ų61.269%0.69330%0.304SS*.G310 helixtrans-67.3-1717761.7-108.5000114.3M20 R34M20-W22 HydrophobicContact CB-CD2 4.21Å; M20-W22 HydrophobicContact CB-CG 4.17Å; M20-W22 HydrophobicContact CB-CZ2 4.21Å; M20-W22 VanDerWaalsContact CB-NE1 3.3Å; M20-W22 HydrophobicContact CG-CZ2 4.3Å; M20-W22 PolarHBondContact O-N 3.14Å; M20-W22 VanDerWaalsContact O-N 3.13Å; W22-R34 PolarHBondContact O-NH1 3.32Å
23A94Very high94.5Very high16 Ų1661.4 Ų61.413%0.13231%0.305CS..G310 helixtrans-97-3.9179.600000113.1K19 M20 P21 C33 R34K19-A23 HydrophobicContact CB-CB 4.24Å; M20-A23 WeakPolarHBondContact O-CB 3.22Å; M20-A23 PolarHBondContact O-N 2.67Å; P21-A23 PolarHBondContact O-N 3.31Å; A23-C33 CarbonylContact O-C 3.4Å; A23-C33 VanDerWaalsContact O-CA 3.29Å; A23-C33 WeakPolarHBondContact O-CA 3.45Å; A23-C33 WeakPolarHBondContact O-CB 3.31Å; A23-R34 PolarHBondContact O-N 2.85Å
24M96.1Very high94.5Very high5 Ų564 Ų643%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-92.2145.4176.8-63.5-56-65.800111Q10 W11 C12 K19 P21 W26 A31 C33Q10-M24 HydrophobicContact CB-CG 3.97Å; W11-M24 WeakPolarHBondContact O-CE 3.49Å; C12-M24 HydrophobicContact CB-CE 4.36Å; C12-M24 HydrophobicContact CB-SD 4.48Å; K19-M24 HydrophobicContact CB-SD 3.86Å; K19-M24 HydrophobicContact CG-SD 4.11Å; P21-M24 PolarHBondContact O-N 3.01Å; M24-W26 HydrophobicContact CB-CZ2 3.9Å; M24-W26 HydrophobicContact CG-CZ2 4.28Å; M24-A31 VanDerWaalsContact CE-C 3.4Å; M24-A31 HydrophobicContact CE-CB 3.66Å; M24-A31 WeakPolarHBondContact CE-O 3.49Å; M24-C33 HydrophobicContact SD-CB 3.8Å
25L95.1Very high94.6Very high22 Ų2264.2 Ų64.212%0.11533%0.328CS..EExtended strand (participates in β ladder)trans-111.9145.4165.7-61.8179.2000108.3F28 V32 R34 V37L25-F28 HydrophobicContact CB-CD2 4.29Å; L25-F28 HydrophobicContact CB-CE2 3.98Å; L25-F28 HydrophobicContact CD1-CE2 4.03Å; L25-V32 PolarHBondContact N-O 3.18Å; L25-V32 PolarHBondContact O-N 3.31Å; L25-R34 HydrophobicContact CD1-CG 3.95Å; L25-R34 HydrophobicContact CD2-CG 4.07Å; L25-R34 HydrophobicContact CG-CG 3.81Å; L25-V37 HydrophobicContact CD1-CB 4.21Å; L25-V37 HydrophobicContact CD1-CG1 4.14Å; L25-V37 HydrophobicContact CD1-CG2 3.84Å
26W95.1Very high94.7Very high156 Ų15662.4 Ų62.459%0.59132%0.316SS*.  trans-127.818.7-174.6-50.286.3000110.9Q10 M24 F28 A31Q10-W26 HydrophobicContact CB-CH2 4.25Å; Q10-W26 HydrophobicContact CB-CZ2 4.4Å; Q10-W26 HydrophobicContact CG-CH2 4.02Å; Q10-W26 HydrophobicContact CG-CZ2 4.06Å; M24-W26 HydrophobicContact CB-CZ2 3.9Å; M24-W26 HydrophobicContact CG-CZ2 4.28Å; W26-F28 VanDerWaalsContact C-N 3.3Å; W26-A31 HydrophobicContact CE3-CB 3.77Å; W26-A31 HydrophobicContact CH2-CB 4.09Å; W26-A31 HydrophobicContact CZ3-CB 3.52Å
27E92.6Very high94.7Very high158 Ų15858.5 Ų58.574%0.73830%0.295SS*.SBendtrans-90.53.7-177.9-68.6151.4-120.700112
28F94.9Very high94.8Very high40 Ų4060.9 Ų60.918%0.17531%0.309CS..SBendtrans-121.5167.1-177.4-52.9-78.2000111.5L25 W26 E30 V32 V37 A42 I45 E46 I49L25-F28 HydrophobicContact CB-CD2 4.29Å; L25-F28 HydrophobicContact CB-CE2 3.98Å; L25-F28 HydrophobicContact CD1-CE2 4.03Å; W26-F28 VanDerWaalsContact C-N 3.3Å; F28-E30 PolarHBondContact O-N 3.24Å; F28-V32 HydrophobicContact CD2-CB 4.45Å; F28-V37 HydrophobicContact CE2-CG2 3.82Å; F28-V37 HydrophobicContact CZ-CG1 4.14Å; F28-V37 HydrophobicContact CZ-CG2 4.15Å; F28-A42 HydrophobicContact CZ-CB 4.37Å; F28-I45 HydrophobicContact CB-CG2 4.25Å; F28-I45 HydrophobicContact CD1-CB 3.94Å; F28-I45 HydrophobicContact CD1-CG2 3.63Å; F28-I45 HydrophobicContact CD2-CG2 3.99Å; F28-I45 HydrophobicContact CE1-CB 3.79Å; F28-I45 HydrophobicContact CE1-CG1 4.36Å; F28-I45 HydrophobicContact CE1-CG2 3.89Å; F28-I45 HydrophobicContact CE2-CG2 4.24Å; F28-I45 HydrophobicContact CG-CB 4.47Å; F28-I45 HydrophobicContact CG-CG2 3.68Å; F28-I45 HydrophobicContact CZ-CB 4.22Å; F28-I45 HydrophobicContact CZ-CG1 4.35Å; F28-I45 HydrophobicContact CZ-CG2 4.19Å; F28-E46 WeakPolarHBondContact CA-OE1 3.32Å; F28-E46 VanDerWaalsContact CB-OE1 3.3Å; F28-E46 WeakPolarHBondContact CB-OE1 3.37Å; F28-E46 HydrophobicContact CD1-CG 4.37Å; F28-I49 HydrophobicContact CB-CD1 3.78Å
29S95.4Very high94.9Very high71 Ų7168.2 Ų68.250%0.49733%0.332SS..SBendtrans-53.9-21.4177.4-65.60000115.5E46S29-E46 WeakPolarHBondContact CB-OE2 3.34Å; S29-E46 PolarHBondContact N-OE1 3.43Å; S29-E46 PolarHBondContact OG-OE2 3.12Å
30E96.4Very high95Very high65 Ų6567.4 Ų67.430%0.30433%0.33SS..SBendtrans-141.7159.7177-63.6-74177.300109.7Y13 F28 V32 I49 R53Y13-E30 HydrophobicContact CD1-CB 4.09Å; Y13-E30 HydrophobicContact CD1-CG 4Å; Y13-E30 HydrophobicContact CD2-CB 3.73Å; Y13-E30 HydrophobicContact CD2-CG 3.58Å; Y13-E30 HydrophobicContact CE1-CG 4.08Å; Y13-E30 HydrophobicContact CE2-CB 4.34Å; Y13-E30 VanDerWaalsContact CE2-CD 3.4Å; Y13-E30 HydrophobicContact CE2-CG 3.66Å; Y13-E30 HydrophobicContact CG-CB 3.59Å; Y13-E30 HydrophobicContact CG-CG 3.75Å; F28-E30 PolarHBondContact O-N 3.24Å; E30-V32 PolarHBondContact O-N 3.2Å; E30-I49 HydrophobicContact CB-CD1 4.09Å; E30-I49 HydrophobicContact CB-CG1 4.25Å; E30-I49 HydrophobicContact CB-CG2 4.06Å; E30-I49 HydrophobicContact CG-CG2 3.46Å; E30-I49 VanDerWaalsContact CG-CG2 3.46Å; E30-R53 IonicContact OE1-CZ 2.61Å; E30-R53 IonicContact OE1-NE 2.68Å; E30-R53 IonicContact OE1-NH2 3.02Å; E30-R53 PolarHBondContact OE1-NH2 3.3Å
31A95.4Very high95.1Very high21 Ų2166.4 Ų66.417%0.17433%0.331CS..  trans-71.2111.6179.700000111.5Y13 M24 W26Y13-A31 PolarHBondContact N-O 3.44Å; M24-A31 VanDerWaalsContact CE-C 3.4Å; M24-A31 HydrophobicContact CE-CB 3.66Å; M24-A31 WeakPolarHBondContact CE-O 3.49Å; W26-A31 HydrophobicContact CE3-CB 3.77Å; W26-A31 HydrophobicContact CH2-CB 4.09Å; W26-A31 HydrophobicContact CZ3-CB 3.52Å
32V96.9Very high95.3Very high0 Ų066.3 Ų66.30%034%0.335CS..EExtended strand (participates in β ladder)trans-121.4142.4-177176.20000110.8L14 L25 F28 E30 C36 V37 I45 I49L14-V32 HydrophobicContact CD1-CG1 3.96Å; L14-V32 HydrophobicContact CD1-CG2 4.12Å; L14-V32 HydrophobicContact CG-CG1 4.43Å; L14-V32 HydrophobicContact CG-CG2 4Å; L25-V32 PolarHBondContact N-O 3.18Å; L25-V32 PolarHBondContact O-N 3.31Å; F28-V32 HydrophobicContact CD2-CB 4.45Å; E30-V32 PolarHBondContact O-N 3.2Å; V32-C36 HydrophobicContact CG1-CB 3.74Å; V32-V37 HydrophobicContact CG1-CG2 3.8Å; V32-I45 HydrophobicContact CB-CG2 4.25Å; V32-I45 HydrophobicContact CG1-CD1 4.36Å; V32-I45 HydrophobicContact CG1-CG2 4.12Å; V32-I45 HydrophobicContact CG2-CG2 4.03Å; V32-I49 HydrophobicContact CG2-CD1 3.86Å; V32-I49 HydrophobicContact CG2-CG1 4.09Å
33C97.3Very high95.6Very high4 Ų464.1 Ų64.13%0.02734%0.337CS..EExtended strand (participates in β ladder)trans-87.5150.118077.70000112.8C12 K19 A23 M24 G35 C36 V37C12-C33 HydrophobicContact CB-CB 4Å; C12-C33 PolarHBondContact SG-N 3.39Å; C12-C33 VanDerWaalsContact SG-SG 3.62Å; K19-C33 HydrophobicContact CB-CB 4.45Å; K19-C33 HydrophobicContact CD-CB 4.49Å; K19-C33 HydrophobicContact CG-CB 3.66Å; A23-C33 CarbonylContact O-C 3.4Å; A23-C33 VanDerWaalsContact O-CA 3.29Å; A23-C33 WeakPolarHBondContact O-CA 3.45Å; A23-C33 WeakPolarHBondContact O-CB 3.31Å; M24-C33 HydrophobicContact SD-CB 3.8Å; C33-G35 PolarHBondContact O-N 3.27Å; C33-C36 PolarHBondContact O-N 2.9Å; C33-V37 PolarHBondContact O-N 3.27Å
34R97.1Very high95.7Very high119 Ų11968.9 Ų68.945%0.44935%0.351SS..Hα-helixtrans-51.9-28.6177.8-68.6-170.1-178.2120.716.3114W22 A23 L25 V37 N38W22-R34 PolarHBondContact O-NH1 3.32Å; A23-R34 PolarHBondContact O-N 2.85Å; L25-R34 HydrophobicContact CD1-CG 3.95Å; L25-R34 HydrophobicContact CD2-CG 4.07Å; L25-R34 HydrophobicContact CG-CG 3.81Å; R34-V37 PolarHBondContact O-N 3.48Å; R34-N38 VanDerWaalsContact O-CB 3.29Å; R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 PolarHBondContact O-N 2.92Å; R34-N38 PolarHBondContact O-OD1 3.29Å
35G97Very high95.7Very high51 Ų5168.7 Ų68.753%0.52635%0.35SS..Hα-helixtrans-62.3-40175.400000113.8C33 Y39C33-G35 PolarHBondContact O-N 3.27Å; G35-Y39 VanDerWaalsContact O-CB 3.31Å; G35-Y39 WeakPolarHBondContact O-CB 3.39Å; G35-Y39 PolarHBondContact O-N 2.86Å
36C96.6Very high95.8Very high13 Ų1371.1 Ų71.19%0.08836%0.361CS..Hα-helixtrans-72.6-43.8175-61.80000110.5L14 V32 C33 N38 Y39 D40 I45L14-C36 HydrophobicContact CB-CB 4.48Å; L14-C36 HydrophobicContact CD1-CB 4.26Å; V32-C36 HydrophobicContact CG1-CB 3.74Å; C33-C36 PolarHBondContact O-N 2.9Å; C36-N38 VanDerWaalsContact C-N 3.29Å; C36-N38 PolarHBondContact O-N 3.06Å; C36-Y39 PolarHBondContact O-N 3.32Å; C36-D40 PolarHBondContact O-N 3.36Å; C36-I45 HydrophobicContact CB-CD1 4.44Å
37V96.4Very high95.9Very high14 Ų1469.4 Ų69.49%0.08536%0.363CS..Hα-helixtrans-60.1-38.3179.3-174.80000112.3L25 F28 V32 C33 R34 G41 A42 I45L25-V37 HydrophobicContact CD1-CB 4.21Å; L25-V37 HydrophobicContact CD1-CG1 4.14Å; L25-V37 HydrophobicContact CD1-CG2 3.84Å; F28-V37 HydrophobicContact CE2-CG2 3.82Å; F28-V37 HydrophobicContact CZ-CG1 4.14Å; F28-V37 HydrophobicContact CZ-CG2 4.15Å; V32-V37 HydrophobicContact CG1-CG2 3.8Å; C33-V37 PolarHBondContact O-N 3.27Å; R34-V37 PolarHBondContact O-N 3.48Å; V37-G41 CarbonylContact O-C 3.54Å; V37-G41 WeakPolarHBondContact O-CA 3.38Å; V37-G41 PolarHBondContact O-N 2.88Å; V37-G41 VanDerWaalsContact O-N 3.1Å; V37-A42 HydrophobicContact CG1-CB 3.67Å; V37-I45 HydrophobicContact CB-CG1 4.41Å; V37-I45 HydrophobicContact CG1-CG1 4.46Å; V37-I45 HydrophobicContact CG2-CD1 4.17Å; V37-I45 HydrophobicContact CG2-CG1 4.01Å
38N95.9Very high96.1Very high139 Ų13964 Ų6474%0.74334%0.339SS*.Hα-helixtrans-76.6-20.3175-6913.1000113.9R34 C36R34-N38 VanDerWaalsContact O-CB 3.29Å; R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 PolarHBondContact O-N 2.92Å; R34-N38 PolarHBondContact O-OD1 3.29Å; C36-N38 VanDerWaalsContact C-N 3.29Å; C36-N38 PolarHBondContact O-N 3.06Å
39Y96Very high96.2Very high200 Ų20062 Ų6278%0.78433%0.33SS*.Hα-helixtrans-90.1-45.6-178.5-179.4-100.5000111.9G35 C36G35-Y39 VanDerWaalsContact O-CB 3.31Å; G35-Y39 WeakPolarHBondContact O-CB 3.39Å; G35-Y39 PolarHBondContact O-N 2.86Å; C36-Y39 PolarHBondContact O-N 3.32Å
40D96Very high96.2Very high40 Ų4062.7 Ų62.721%0.21433%0.326CS..Hα-helixtrans-91.9-22.7-177.5-76.4-69.9000114.1C36 R44 I45 L48C36-D40 PolarHBondContact O-N 3.36Å; D40-R44 WeakPolarHBondContact O-CD 3.42Å; D40-R44 PolarHBondContact O-NH1 2.73Å; D40-R44 IonicContact OD1-NH1 2.8Å; D40-R44 PolarHBondContact OD1-NH1 3.14Å; D40-I45 HydrophobicContact CB-CD1 4.09Å; D40-L48 HydrophobicContact CB-CD1 3.44Å; D40-L48 VanDerWaalsContact CB-CD1 3.44Å; D40-L48 WeakPolarHBondContact OD1-CD1 3.45Å
41G94.3Very high96.1Very high23 Ų2362.8 Ų62.824%0.23733%0.33CS..  trans90.7132-169.500000111.8V37 D43 R44 I45V37-G41 CarbonylContact O-C 3.54Å; V37-G41 WeakPolarHBondContact O-CA 3.38Å; V37-G41 PolarHBondContact O-N 2.88Å; V37-G41 VanDerWaalsContact O-N 3.1Å; G41-D43 PolarHBondContact O-N 2.89Å; G41-R44 PolarHBondContact O-N 3.01Å; G41-I45 WeakPolarHBondContact O-CG1 3.43Å; G41-I45 PolarHBondContact O-N 2.86Å
42A94.6Very high96.1Very high53 Ų5363.2 Ų63.244%0.43833%0.334SS..G310 helixtrans-60.2-32.7-173.300000113.7F28 V37 R44 I45F28-A42 HydrophobicContact CZ-CB 4.37Å; V37-A42 HydrophobicContact CG1-CB 3.67Å; A42-R44 PolarHBondContact O-N 3.36Å; A42-I45 PolarHBondContact O-N 3.48Å
43D95Very high95.9Very high137 Ų13766.9 Ų66.973%0.73335%0.348SS*.G310 helixtrans-63-24.6174.459.5-56.7000113.6G41G41-D43 PolarHBondContact O-N 2.89Å
44R94.6Very high95.7Very high116 Ų11672.8 Ų72.844%0.43838%0.375SS..G310 helixtrans-97.5-11.5-177.5-6517463.2-115.7-1.4113.4D40 G41 A42 E46 L47 L48D40-R44 WeakPolarHBondContact O-CD 3.42Å; D40-R44 PolarHBondContact O-NH1 2.73Å; D40-R44 IonicContact OD1-NH1 2.8Å; D40-R44 PolarHBondContact OD1-NH1 3.14Å; G41-R44 PolarHBondContact O-N 3.01Å; A42-R44 PolarHBondContact O-N 3.36Å; R44-E46 PolarHBondContact O-N 2.9Å; R44-L47 PolarHBondContact O-N 3.34Å; R44-L48 HydrophobicContact CB-CD1 4.33Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.12Å; R44-L48 PolarHBondContact O-N 3.27Å
45I97.6Very high95.1Very high0 Ų071.7 Ų71.70%038%0.378CS..Hα-helixtrans-63.8-40.8-173.9-65.2-62.8000112.9L14 F28 V32 C36 V37 D40 G41 A42 L48 I49L14-I45 HydrophobicContact CD1-CD1 3.73Å; L14-I45 HydrophobicContact CD1-CG2 4.25Å; F28-I45 HydrophobicContact CB-CG2 4.25Å; F28-I45 HydrophobicContact CD1-CB 3.94Å; F28-I45 HydrophobicContact CD1-CG2 3.63Å; F28-I45 HydrophobicContact CD2-CG2 3.99Å; F28-I45 HydrophobicContact CE1-CB 3.79Å; F28-I45 HydrophobicContact CE1-CG1 4.36Å; F28-I45 HydrophobicContact CE1-CG2 3.89Å; F28-I45 HydrophobicContact CE2-CG2 4.24Å; F28-I45 HydrophobicContact CG-CB 4.47Å; F28-I45 HydrophobicContact CG-CG2 3.68Å; F28-I45 HydrophobicContact CZ-CB 4.22Å; F28-I45 HydrophobicContact CZ-CG1 4.35Å; F28-I45 HydrophobicContact CZ-CG2 4.19Å; V32-I45 HydrophobicContact CB-CG2 4.25Å; V32-I45 HydrophobicContact CG1-CD1 4.36Å; V32-I45 HydrophobicContact CG1-CG2 4.12Å; V32-I45 HydrophobicContact CG2-CG2 4.03Å; C36-I45 HydrophobicContact CB-CD1 4.44Å; V37-I45 HydrophobicContact CB-CG1 4.41Å; V37-I45 HydrophobicContact CG1-CG1 4.46Å; V37-I45 HydrophobicContact CG2-CD1 4.17Å; V37-I45 HydrophobicContact CG2-CG1 4.01Å; D40-I45 HydrophobicContact CB-CD1 4.09Å; G41-I45 WeakPolarHBondContact O-CG1 3.43Å; G41-I45 PolarHBondContact O-N 2.86Å; A42-I45 PolarHBondContact O-N 3.48Å; I45-L48 PolarHBondContact O-N 2.8Å; I45-I49 HydrophobicContact CG2-CD1 3.75Å; I45-I49 HydrophobicContact CG2-CG1 4.32Å; I45-I49 WeakPolarHBondContact O-CB 3.46Å; I45-I49 VanDerWaalsContact O-CG1 3.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.41Å; I45-I49 PolarHBondContact O-N 2.8Å
46E97Very high94.4Very high73 Ų7375 Ų7534%0.34138%0.377SS..Hα-helixtrans-62.2-44.3176.2-72.5-61.6161.400112.6F28 S29 R44 L48 I49 E50F28-E46 WeakPolarHBondContact CA-OE1 3.32Å; F28-E46 VanDerWaalsContact CB-OE1 3.3Å; F28-E46 WeakPolarHBondContact CB-OE1 3.37Å; F28-E46 HydrophobicContact CD1-CG 4.37Å; S29-E46 WeakPolarHBondContact CB-OE2 3.34Å; S29-E46 PolarHBondContact N-OE1 3.43Å; S29-E46 PolarHBondContact OG-OE2 3.12Å; R44-E46 PolarHBondContact O-N 2.9Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3Å; E46-I49 PolarHBondContact O-N 3.06Å; E46-E50 PolarHBondContact O-N 2.84Å
47L96.9Very high93.5Very high120 Ų12079.1 Ų79.163%0.62841%0.406SS*.Hα-helixtrans-64-37.9177.3-179.861.7000111.7R44 T51R44-L47 PolarHBondContact O-N 3.34Å; L47-T51 WeakPolarHBondContact O-CB 3.31Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 3.34Å
48L96.6Very high92.1Very high44 Ų4483.5 Ų83.523%0.2343%0.433CS..Hα-helixtrans-70.7-36.9175.8-70.2167.6000112.5L14 D40 R44 I45 E46 T51 A52L14-L48 HydrophobicContact CD1-CB 4.14Å; L14-L48 HydrophobicContact CD2-CB 4Å; D40-L48 HydrophobicContact CB-CD1 3.44Å; D40-L48 VanDerWaalsContact CB-CD1 3.44Å; D40-L48 WeakPolarHBondContact OD1-CD1 3.45Å; R44-L48 HydrophobicContact CB-CD1 4.33Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.12Å; R44-L48 PolarHBondContact O-N 3.27Å; I45-L48 PolarHBondContact O-N 2.8Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3Å; L48-T51 PolarHBondContact O-N 2.72Å; L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.05Å; L48-A52 PolarHBondContact O-N 3.5Å
49I96.8Very high90.5Very high0 Ų084.4 Ų84.40%043%0.433CS..Hα-helixtrans-60.3-49.2172.5-74.5162.9000109.8Y13 L14 F28 E30 V32 I45 E46 A52 R53Y13-I49 HydrophobicContact CD1-CG1 4.37Å; Y13-I49 HydrophobicContact CD1-CG2 4.38Å; Y13-I49 HydrophobicContact CE1-CG2 4.19Å; L14-I49 HydrophobicContact CD2-CG1 4.11Å; L14-I49 HydrophobicContact CG-CG1 4.38Å; F28-I49 HydrophobicContact CB-CD1 3.78Å; E30-I49 HydrophobicContact CB-CD1 4.09Å; E30-I49 HydrophobicContact CB-CG1 4.25Å; E30-I49 HydrophobicContact CB-CG2 4.06Å; E30-I49 HydrophobicContact CG-CG2 3.46Å; E30-I49 VanDerWaalsContact CG-CG2 3.46Å; V32-I49 HydrophobicContact CG2-CD1 3.86Å; V32-I49 HydrophobicContact CG2-CG1 4.09Å; I45-I49 HydrophobicContact CG2-CD1 3.75Å; I45-I49 HydrophobicContact CG2-CG1 4.32Å; I45-I49 WeakPolarHBondContact O-CB 3.46Å; I45-I49 VanDerWaalsContact O-CG1 3.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.41Å; I45-I49 PolarHBondContact O-N 2.8Å; E46-I49 PolarHBondContact O-N 3.06Å; I49-A52 PolarHBondContact O-N 3.38Å; I49-R53 VanDerWaalsContact O-CB 3.31Å; I49-R53 WeakPolarHBondContact O-CB 3.31Å; I49-R53 PolarHBondContact O-N 2.94Å
50E95.9Very high88.4Confident85 Ų8577.7 Ų77.740%0.39742%0.424SS..Hα-helixtrans-67.6-38-179.7-173.354.9-15000112.1E46 A52 R53 Q54E46-E50 PolarHBondContact O-N 2.84Å; E50-A52 PolarHBondContact O-N 2.95Å; E50-R53 WeakPolarHBondContact O-CB 3.06Å; E50-R53 PolarHBondContact O-N 3.04Å; E50-R53 WeakPolarHBondContact OE2-CD 3.49Å; E50-R53 IonicContact OE2-CZ 3.28Å; E50-R53 IonicContact OE2-NE 3.39Å; E50-R53 IonicContact OE2-NH1 3.88Å; E50-R53 PolarHBondContact OE2-NH1 3.4Å; E50-Q54 WeakPolarHBondContact O-CB 3.38Å; E50-Q54 PolarHBondContact O-N 2.88Å
51T94.8Very high85.8Confident66 Ų6681.6 Ų81.641%0.40545%0.449SS..Hα-helixtrans-62.3-43.9173.7-570000111.3L47 L48 Q54 L55L47-T51 WeakPolarHBondContact O-CB 3.31Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 3.34Å; L48-T51 PolarHBondContact O-N 2.72Å; T51-Q54 PolarHBondContact O-N 2.9Å; T51-L55 HydrophobicContact CG2-CD1 4.19Å; T51-L55 WeakPolarHBondContact O-CB 3.32Å; T51-L55 WeakPolarHBondContact O-CG 3.43Å; T51-L55 PolarHBondContact O-N 3.42Å
52A94.2Very high83.5Confident30 Ų3089.1 Ų89.125%0.24848%0.483CS..Hα-helixtrans-66.5-38.1176.200000112.1Y13 L14 L48 I49 E50 L55 K56Y13-A52 HydrophobicContact CD1-CB 4.5Å; Y13-A52 HydrophobicContact CE1-CB 4.02Å; L14-A52 HydrophobicContact CD2-CB 4.19Å; L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.05Å; L48-A52 PolarHBondContact O-N 3.5Å; I49-A52 PolarHBondContact O-N 3.38Å; E50-A52 PolarHBondContact O-N 2.95Å; A52-L55 PolarHBondContact O-N 3.05Å; A52-K56 WeakPolarHBondContact O-CB 3.44Å; A52-K56 PolarHBondContact O-N 3.23Å
53R93.9Very high80.9Confident78 Ų7891 Ų9129%0.29449%0.486SS..Hα-helixtrans-62.2-43.7173.7-174.4178.9-69.7136.1-6.2111.3Y13 E30 I49 E50 K56 S57Y13-R53 WeakPolarHBondContact OH-CB 3.23Å; E30-R53 IonicContact OE1-CZ 2.61Å; E30-R53 IonicContact OE1-NE 2.68Å; E30-R53 IonicContact OE1-NH2 3.02Å; E30-R53 PolarHBondContact OE1-NH2 3.3Å; I49-R53 VanDerWaalsContact O-CB 3.31Å; I49-R53 WeakPolarHBondContact O-CB 3.31Å; I49-R53 PolarHBondContact O-N 2.94Å; E50-R53 WeakPolarHBondContact O-CB 3.06Å; E50-R53 PolarHBondContact O-N 3.04Å; E50-R53 WeakPolarHBondContact OE2-CD 3.49Å; E50-R53 IonicContact OE2-CZ 3.28Å; E50-R53 IonicContact OE2-NE 3.39Å; E50-R53 IonicContact OE2-NH1 3.88Å; E50-R53 PolarHBondContact OE2-NH1 3.4Å; R53-K56 PolarHBondContact O-N 2.81Å; R53-S57 WeakPolarHBondContact O-CB 3.33Å; R53-S57 PolarHBondContact O-N 3.37Å
54Q92Very high78.6Confident128 Ų12888.7 Ų88.760%0.59849%0.494SS*.Hα-helixtrans-66.5-40.6177.4-161.1168.295.800111.8E50 T51 S57 T58E50-Q54 WeakPolarHBondContact O-CB 3.38Å; E50-Q54 PolarHBondContact O-N 2.88Å; T51-Q54 PolarHBondContact O-N 2.9Å; Q54-S57 WeakPolarHBondContact O-CB 3.4Å; Q54-S57 PolarHBondContact O-N 3.37Å; Q54-T58 PolarHBondContact O-N 2.98Å; Q54-T58 VanDerWaalsContact O-N 3.08Å; Q54-T58 PolarHBondContact O-OG1 2.83Å
55L84.9Confident76.2Confident96 Ų9690.6 Ų90.650%0.50350%0.501SS..Hα-helixtrans-62.9-42.5170.9-75.9162.9000112.8T51 A52 S57 T58 H59T51-L55 HydrophobicContact CG2-CD1 4.19Å; T51-L55 WeakPolarHBondContact O-CB 3.32Å; T51-L55 WeakPolarHBondContact O-CG 3.43Å; T51-L55 PolarHBondContact O-N 3.42Å; A52-L55 PolarHBondContact O-N 3.05Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3.1Å; L55-T58 PolarHBondContact O-N 2.91Å; L55-T58 PolarHBondContact O-OG1 3.45Å; L55-T58 VanDerWaalsContact O-OG1 3.1Å; L55-H59 WeakPolarHBondContact O-CB 3.46Å; L55-H59 PolarHBondContact O-CD2 3.12Å; L55-H59 PolarHBondContact O-N 2.84Å; L55-H59 VanDerWaalsContact O-N 3.12Å
56K82.3Confident73.1Confident119 Ų11995.9 Ų95.952%0.51754%0.538SS..Hα-helixtrans-68.5-27.6178.1-148.1177.8-156.1-61.40112A52 R53 D63A52-K56 WeakPolarHBondContact O-CB 3.44Å; A52-K56 PolarHBondContact O-N 3.23Å; R53-K56 PolarHBondContact O-N 2.81Å; K56-D63 IonicContact NZ-OD2 2.72Å; K56-D63 PolarHBondContact NZ-OD2 2.67Å
57S77.3Confident70.4Confident100 Ų10098.4 Ų98.470%0.69956%0.561SS**Hα-helixtrans-70.7-45.4173.2-168.20000112.1R53 Q54 L55 H59R53-S57 WeakPolarHBondContact O-CB 3.33Å; R53-S57 PolarHBondContact O-N 3.37Å; Q54-S57 WeakPolarHBondContact O-CB 3.4Å; Q54-S57 PolarHBondContact O-N 3.37Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3.1Å; S57-H59 VanDerWaalsContact C-N 3.33Å; S57-H59 PolarHBondContact O-N 2.81Å
58T67.5Low67.3Low106 Ų10695.8 Ų95.865%0.6556%0.563SS**Hα-helixtrans-72.8-21.4178.754.70000114Q54 L55Q54-T58 PolarHBondContact O-N 2.98Å; Q54-T58 VanDerWaalsContact O-N 3.08Å; Q54-T58 PolarHBondContact O-OG1 2.83Å; L55-T58 PolarHBondContact O-N 2.91Å; L55-T58 PolarHBondContact O-OG1 3.45Å; L55-T58 VanDerWaalsContact O-OG1 3.1Å
59H62.9Low64.5Low159 Ų159100.1 Ų100.174%0.73659%0.593SS**THydrogen-bonded Turntrans-95.96.4-177.4-86-91.6000116.9L55 S57L55-H59 WeakPolarHBondContact O-CB 3.46Å; L55-H59 PolarHBondContact O-CD2 3.12Å; L55-H59 PolarHBondContact O-N 2.84Å; L55-H59 VanDerWaalsContact O-N 3.12Å; S57-H59 VanDerWaalsContact C-N 3.33Å; S57-H59 PolarHBondContact O-N 2.81Å
60G50.7Low61.5Low58 Ų58109 Ų10960%0.59864%0.635SS**THydrogen-bonded Turntrans61.453.8150.800000119.2
61V41.5Very low58.5Low123 Ų123114.8 Ų114.875%0.74566%0.662SS**  trans51.4104.8153.2-171.30000118.7
62L46.9Very low55.6Low180 Ų180117 Ų11794%0.94268%0.681SS**  trans-135.446.7146.2-79.7-176.1000111.9
63D40.8Very low52.6Low94 Ų94125.2 Ų125.250%0.50371%0.711SS.*  trans-10588.5174.8-101.7-54.1000111.5K56 R65K56-D63 IonicContact NZ-OD2 2.72Å; K56-D63 PolarHBondContact NZ-OD2 2.67Å; D63-R65 PolarHBondContact O-N 3.27Å
64G46.3Very low49.9Very low87 Ų87127.9 Ų127.990%0.89774%0.738SS**  trans-7566.1173.200000112.7
65R43.9Very low46.8Very low157 Ų157125.4 Ų125.459%0.59275%0.746SS**  trans-115.189.4-174.4-161.9167.1-174159.2-2.2112.3W11 D63W11-R65 VanDerWaalsContact CD1-NH2 3.29Å; D63-R65 PolarHBondContact O-N 3.27Å
66S31.9Very low44.1Very low111 Ų111126.2 Ų126.278%0.77676%0.76SS**PPolyproline II helixtrans-57.4137.5178.5-53.60000112.8
67P41Very low41.8Very low126 Ų126126.7 Ų126.782%0.81877%0.773SS**PPolyproline II helixtrans-59.7147.3165.1-22.233.8000111.6
68G32.3Very low39.5Very low65 Ų65125.4 Ų125.467%0.6778%0.775SS**PPolyproline II helixtrans-69.2149.3172.100000111.9Q70G68-Q70 PolarHBondContact O-N 2.89Å
69P36.4Very low37.7Very low134 Ų134125.6 Ų125.687%0.8778%0.776SS**PPolyproline II helixtrans-68.8132.3-175.527.8-34.7000112.1
70Q33.7Very low36.3Very low188 Ų188124.1 Ų124.188%0.87978%0.778SS**PPolyproline II helixtrans-70.9150.3168-67-179.1-73.300110.8G68G68-Q70 PolarHBondContact O-N 2.89Å
71Q34.4Very low35.4Very low205 Ų205128.8 Ų128.896%0.95878%0.784SS**PPolyproline II helixtrans-76.5123.4172.7-67.8178.3-9.400110.5
72S32Very low34.8Very low114 Ų114129 Ų12980%0.79779%0.786SS**  trans-126.6151.116558.30000110.1
73K32.7Very low34Very low202 Ų202124 Ų12488%0.87878%0.779SS**  trans-80145.5-173.4-64.9173.7179.9174.50111
74P36Very low33.5Very low134 Ų134131.1 Ų131.187%0.8780%0.799SS**  trans-73.6136.3175.530.2-34.1000112.2
75G27.3Very low32.8Very low75 Ų75135.6 Ų135.677%0.77380%0.796SS**  trans-110.9156.2163.100000110.5
76S29.3Very low32.1Very low114 Ų114135.2 Ų135.280%0.79780%0.801SS**  trans-80.9141-165.6-161.60000115.1
77V33.3Very low31.9Very low129 Ų129134.3 Ų134.378%0.78279%0.794SS**  trans33114.2145.6-178.50000117.2
78G29.6Very low31.4Very low72 Ų72136 Ų13674%0.74279%0.791SS**  150.5-165.569.300000111.6
79T29.5Very low31.3Very low111 Ų111144.8 Ų144.868%0.68180%0.804SS**  cis-175.3134.7-15.8-84.60000109.2
80V33.4Very low31.1Very low127 Ų127144.2 Ų144.277%0.7780%0.798SS**  trans57.5160.7173.1-56.70000119
81E30.8Very low31Very low156 Ų156140.6 Ų140.673%0.72979%0.785SS**  cis-155.3166.8-16.6-124.4-176.1111.900113
82T30.4Very low30.8Very low127 Ų127141.3 Ų141.378%0.77978%0.779SS**  trans40.2129.9154.158.90000123.7
83G29.4Very low30.7Very low77 Ų77139 Ų13979%0.79477%0.773SS**  trans-163.1140.1154.500000110.8
84R30.7Very low30.5Very low243 Ų243141.6 Ų141.692%0.91778%0.777SS**  trans-121.4172.2-172.3-80.4-175.7171-177.4-1.7112.8
85Q31.5Very low30.2Very low181 Ų181138.6 Ų138.685%0.84677%0.771SS**  trans96.7139.6158.3-58.6-163.267.400116.1
86H29.3Very low30.2Very low148 Ų148144.5 Ų144.569%0.68578%0.778SS**  cis-165.3135.8-6.7163.6-78.3000112
87S28Very low30.3Very low92 Ų92149.8 Ų149.864%0.64378%0.782SS**  trans27.5148.9138.3-103.20000122.2
88E29.9Very low30.2Very low161 Ų161147 Ų14775%0.75278%0.779SS**  cis-151.2159.310.3-57.2179.355.900112
89R30.7Very low30.2Very low250 Ų250150.7 Ų150.794%0.94379%0.787SS**  -164.5142.5125.5-120.7177.4-174.5140.95.6114.8
90V32.4Very low30Very low123 Ų123150 Ų15075%0.74579%0.787SS**  trans-134.9140.8-179.9166.60000104.8
91D30.2Very low30Very low112 Ų112149 Ų14960%0.59979%0.785SS**  cis-149.2-170.219.4-146-177.2000108.9
92R31.4Very low29.9Very low220 Ų220153.3 Ų153.383%0.8380%0.795SS**  cis-160.6174.50.2-154.7163.2-170.1117.8-9.3108.7
93G28.4Very low30.3Very low65 Ų65155.6 Ų155.667%0.6780%0.802SS**  trans107.473135.400000121.4
94R29.5Very low30.4Very low256 Ų256157.7 Ų157.797%0.96680%0.801SS**  48.4107128.1-170.2-167.1-142.3-86.12119.4
95G28.3Very low30.4Very low72 Ų72154.6 Ų154.674%0.74280%0.803SS**  trans167.971160.500000119.3
96E29.3Very low30.2Very low199 Ų199149.2 Ų149.293%0.9380%0.796SS**  trans36.3108.8142.2-162.7174.2162.200121.6
97Y30.1Very low30.2Very low224 Ų224150.1 Ų150.188%0.87881%0.805SS**  trans-151149.7133.756.1-91.1000110.3
98G30.6Very low30.2Very low70 Ų70155 Ų15572%0.72282%0.817SS**  trans-97.1178.7-169.300000115.7
99V29.8Very low30.1Very low150 Ų150156 Ų15691%0.90981%0.814SS**  trans-132.5144.7169175.80000110
100S26.8Very low30.1Very low97 Ų97148.7 Ų148.768%0.67881%0.807SS**  trans-86.4146.2-170.5-168.70000114.5
101S31.6Very low29.8Very low105 Ų105148.8 Ų148.873%0.73480%0.799SS**  trans32.4119.8141.8-45.80000120.4
102R30.3Very low29.8Very low248 Ų248150.3 Ų150.394%0.93681%0.808SS**  trans-141.4135.9132.7-71.2-161.3179.6-122.2-5.7111.4
103L37.9Very low29.7Very low175 Ų175145.9 Ų145.992%0.91681%0.805SS**PPolyproline II helixtrans-83.7147170.4-66.7165.3000110.7
104P31.7Very low29.8Very low121 Ų121146.5 Ų146.579%0.78680%0.804SS**PPolyproline II helixtrans-102.4148.6151.635.3-27.7000111.3
105N30.3Very low29.7Very low178 Ų178142.1 Ų142.195%0.95280%0.798SS**PPolyproline II helixtrans-86.9143.4176.4-139.223.8000110.2
106G26.8Very low29.7Very low68 Ų68143 Ų14370%0.70179%0.793SS**  trans-173.5131.2174.300000113.5
107L30.9Very low29.7Very low167 Ų167141.8 Ų141.887%0.87479%0.788SS**  trans-71149.6166.8-76.969.1000109.2
108H28.2Very low29.6Very low193 Ų193134.4 Ų134.489%0.89478%0.779SS**  -154154.7125.6-124.5-90.6000112.6
109R26.7Very low29.6Very low183 Ų183137.3 Ų137.369%0.69179%0.789SS**  trans-97.7148.6-179.4133.4-172.4157.4113-1.3110.1E111R109-E111 IonicContact CZ-OE1 2.68Å; R109-E111 IonicContact CZ-OE2 3.73Å; R109-E111 IonicContact NE-OE2 3.76Å; R109-E111 IonicContact NH1-OE1 3.68Å; R109-E111 PolarHBondContact NH1-OE1 3.48Å; R109-E111 IonicContact NH1-OE2 2.76Å; R109-E111 IonicContact NH2-OE1 3.71Å; R109-E111 PolarHBondContact NH2-OE1 2.96Å; R109-E111 IonicContact NH2-OE2 3.71Å; R109-E111 PolarHBondContact NH2-OE2 3.22Å
110A30.1Very low29.7Very low97 Ų97141.6 Ų141.680%0.80279%0.789SS**  trans-142.7142164.800000110.6
111E27.3Very low30.4Very low124 Ų124142.5 Ų142.558%0.57979%0.792SS**  trans-97.8177.1166.3-68.2144.5140.800107.6R109R109-E111 IonicContact CZ-OE1 2.68Å; R109-E111 IonicContact CZ-OE2 3.73Å; R109-E111 IonicContact NE-OE2 3.76Å; R109-E111 IonicContact NH1-OE1 3.68Å; R109-E111 PolarHBondContact NH1-OE1 3.48Å; R109-E111 IonicContact NH1-OE2 2.76Å; R109-E111 IonicContact NH2-OE1 3.71Å; R109-E111 PolarHBondContact NH2-OE1 2.96Å; R109-E111 IonicContact NH2-OE2 3.71Å; R109-E111 PolarHBondContact NH2-OE2 3.22Å
112D29.2Very low31.5Very low145 Ų145142.7 Ų142.778%0.77579%0.791SS**  cis-160.5-161.417.1-148.2-45.4000110.2
113V30.6Very low31.5Very low127 Ų127139.6 Ų139.677%0.7779%0.792SS**  trans83.592172.1-169.10000113.9
114A29Very low31.2Very low78 Ų78137 Ų13765%0.64579%0.789SS**  79135.57100000113.4
115L28.1Very low31.2Very low163 Ų163135.1 Ų135.185%0.85379%0.791SS**  cis-131.5-178.41.5-75.2103.9000109.3
116S28.9Very low31.2Very low91 Ų91131.9 Ų131.964%0.63678%0.782SS**  cis-155.8-172.225.5-129.80000113.9
117E28Very low31.5Very low174 Ų174139.4 Ų139.481%0.81379%0.79SS**  trans-47.5155.4-171.8-59.4113110.400118.5
118G28.6Very low31.5Very low68 Ų68137 Ų13770%0.70178%0.782SS**  cis162.4-161.8-4.300000115.7
119S31.1Very low31.5Very low132 Ų132132.6 Ų132.692%0.92378%0.779SS**  trans73.3153.5175.9-65.20000118.4
120R31Very low31.8Very low240 Ų240129.2 Ų129.291%0.90678%0.783SS**  trans-120.6161.4-161-85.1-178.8168-170.8-2.7114.3
121P42.4Very low32.2Very low115 Ų115131 Ų13175%0.74778%0.784SS**  trans-100-147.9171.245-37000109.3
122P53.4Low33.2Very low110 Ų110130.3 Ų130.371%0.71479%0.791SS**  cis-119.7-175.9-38.938-24.1000111.3
123L31.9Very low33.5Very low182 Ų182131 Ų13195%0.95379%0.793SS**  trans-145157.6146.2-90.9-169.2000112.6
124S31.9Very low33.4Very low122 Ų122129 Ų12985%0.85379%0.79SS**  trans-108.7152-176.7-177.50000111.4
125G30.3Very low33.6Very low81 Ų81132.1 Ų132.184%0.83580%0.8SS**  trans-162.698.1178.500000112.7
126S31.6Very low34Very low109 Ų109130 Ų13076%0.76280%0.8SS**  trans-104.9131.4176.6175.70000111.1
127R32.5Very low34.2Very low227 Ų227131 Ų13186%0.85781%0.813SS**  trans-171.7110.9150.8-108.2153.4176.5-96.5-3.7115
128T30Very low34.3Very low116 Ų116126.1 Ų126.171%0.71281%0.809SS**  35.8133.6128.859.60000122.4
129A29Very low35.4Very low100 Ų100129.1 Ų129.183%0.82682%0.816SS**  trans70.6151.1152.400000117.1
130S32.6Very low35.6Very low112 Ų112130.7 Ų130.778%0.78381%0.813SS**  cis-159.1158.7-6.232.10000110.7
131T38Very low35.7Very low135 Ų135127 Ų12783%0.82881%0.808SS**  trans-74.5152.1165.752.10000110.5
132P49.4Very low35.1Very low110 Ų110127.9 Ų127.971%0.71482%0.817SS**  -152.5153.186.837.3-17.2000118.6
133I34.1Very low34.2Very low159 Ų159132.2 Ų132.282%0.81583%0.827SS**  trans64.7111.4138.3-61.5168.8000121.4
134A30.2Very low34.3Very low86 Ų86127.3 Ų127.371%0.71182%0.82SS**  trans36.7140.5134.400000123.9
135V32.7Very low34.4Very low142 Ų142125 Ų12586%0.86182%0.816SS**  -170.2155.498.31490000110.5
136S35.4Very low34.7Very low120 Ų120132.8 Ų132.884%0.83982%0.82SS**  trans-82141.2-172.9-46.60000114.9
137A34.1Very low34.8Very low111 Ų111139.8 Ų139.892%0.91783%0.83SS**  trans-157.7155.9156.500000112
138G30.7Very low34.8Very low71 Ų71137.4 Ų137.473%0.73283%0.829SS**  trans-174.1-167.9167.400000108.6
139P50.7Low34.8Very low131 Ų131136.6 Ų136.685%0.85183%0.834SS**  cis-125.9156-22.938.3-25.7000112
140I35.2Very low35Very low166 Ų166138 Ų13885%0.85183%0.832SS**  trans-151.3132.8163.4-153.1164.3000115.8
141M32.8Very low34.9Very low163 Ų163138.1 Ų138.180%0.80383%0.832SS**  trans7.5124.1157.7-53.4-65.8-79.500121
142S31.3Very low34.7Very low133 Ų133140 Ų14093%0.9384%0.837SS**  trans-159.1158.1131-89.10000111.7
143E33.3Very low33.8Very low201 Ų201138.3 Ų138.394%0.93984%0.839SS**  trans-118.4154.4-165.4-177.6167.9103.900112.9
144G34Very low34.1Very low78 Ų78137.7 Ų137.780%0.80484%0.842SS**  trans121.487.5161.900000115.5
145G33.8Very low34Very low75 Ų75136.7 Ų136.777%0.77384%0.841SS**  trans-174.890.8176.400000115.9
146R37.9Very low34.1Very low243 Ų243134.2 Ų134.292%0.91784%0.835SS**  trans26.6107.8156.4-72.1178.1156.4-176.7-7.4118.1Q148R146-Q148 PolarHBondContact O-N 3.15Å
147R33.7Very low34.1Very low257 Ų257134.1 Ų134.197%0.9783%0.834SS**  trans-62.6104.5168.5-63.3177.1-175.4-97.7-0.7111.6
148Q31.9Very low34.4Very low176 Ų176134.9 Ų134.982%0.82283%0.827SS**  trans-90.3129.6153.6-78.3-174.3-14.200109R146 V150R146-Q148 PolarHBondContact O-N 3.15Å; Q148-V150 PolarHBondContact O-N 3.4Å
149A30.9Very low34.7Very low99 Ų99136.9 Ų136.982%0.81883%0.83SS**  trans-87.497.8171.200000109.2S151A149-S151 PolarHBondContact O-N 2.86Å; A149-S151 VanDerWaalsContact O-N 3.17Å
150V32.4Very low34.2Very low130 Ų130135.3 Ų135.379%0.78883%0.829SS**  trans-76.195.5167.4-77.20000109.3Q148Q148-V150 PolarHBondContact O-N 3.4Å
151S31.3Very low34.5Very low114 Ų114134.6 Ų134.680%0.79783%0.826SS**  trans-63.3134.6169.1-65.90000110.1A149 G153A149-S151 PolarHBondContact O-N 2.86Å; A149-S151 VanDerWaalsContact O-N 3.17Å; S151-G153 PolarHBondContact O-N 2.92Å
152L32.4Very low35Very low176 Ų176133 Ų13392%0.92182%0.824SS**  trans-60.9106.8177.8-72.7159.2000110.3V154L152-V154 PolarHBondContact O-N 2.92Å
153G31.7Very low35.8Very low73 Ų73131 Ų13175%0.75383%0.825SS**  trans-71.8115.6171.500000110.2S151 G155S151-G153 PolarHBondContact O-N 2.92Å; G153-G155 PolarHBondContact O-N 3.08Å; G153-G155 VanDerWaalsContact O-N 3.14Å
154V39Very low36.5Very low146 Ų146125.8 Ų125.889%0.88580%0.803SS**  trans-66.1111.8169179.70000107.7L152 A156L152-V154 PolarHBondContact O-N 2.92Å; V154-A156 PolarHBondContact O-N 3.05Å; V154-A156 VanDerWaalsContact O-N 3.1Å
155G28.1Very low37.7Very low66 Ų66126.8 Ų126.868%0.6879%0.79SS**  trans-69.3104.5-172.800000112.7G153 S157G153-G155 PolarHBondContact O-N 3.08Å; G153-G155 VanDerWaalsContact O-N 3.14Å; G155-S157 PolarHBondContact O-N 2.87Å; G155-S157 VanDerWaalsContact O-N 3.17Å
156A34.9Very low39.2Very low89 Ų89127.6 Ų127.674%0.73678%0.781SS**  trans-74.697.116400000109.1V154 T158V154-A156 PolarHBondContact O-N 3.05Å; V154-A156 VanDerWaalsContact O-N 3.1Å; A156-T158 PolarHBondContact O-N 3.44Å
157S35.6Very low40.7Very low118 Ų118118.5 Ų118.583%0.82576%0.759SS**  trans-65.898.8-180-62.90000111.8G155 S159G155-S157 PolarHBondContact O-N 2.87Å; G155-S157 VanDerWaalsContact O-N 3.17Å; S157-S159 PolarHBondContact O-N 3.36Å
158T41Very low42.5Very low127 Ų127110.1 Ų110.178%0.77974%0.736SS**  trans-83.499.3177.246.20000111.5A156 A160A156-T158 PolarHBondContact O-N 3.44Å; T158-A160 PolarHBondContact O-N 3.23Å
159S36.4Very low43.7Very low113 Ų113109.3 Ų109.379%0.7973%0.725SS**  trans-6696.9169.5-66.20000110.7S157 L161S157-S159 PolarHBondContact O-N 3.36Å; S159-L161 PolarHBondContact O-N 2.84Å
160A40.9Very low46Very low99 Ų99112.1 Ų112.182%0.81872%0.715SS**  trans-75.984.9-177.800000112.2T158T158-A160 PolarHBondContact O-N 3.23Å
161L41.7Very low48.5Very low151 Ų151107.6 Ų107.679%0.79169%0.686SS**  trans-106118.1168.4-67.4178.3000110.7S159S159-L161 PolarHBondContact O-N 2.84Å
162V42.6Very low51.1Low128 Ų128107.3 Ų107.378%0.77668%0.675SS**SBendtrans54.173.4167.5-162.40000116.2I164V162-I164 VanDerWaalsContact C-N 3.27Å; V162-I164 PolarHBondContact O-N 3.2Å
163G47.6Very low53.9Low92 Ų92105.2 Ų105.295%0.94866%0.661SS**SBendtrans61.75.1130.200000121.2
164I49.5Very low56.7Low92 Ų92102.6 Ų102.647%0.47263%0.63SS.*  trans-104.8131.3177.5-57.3166.9000108.8V162 V168 W169V162-I164 VanDerWaalsContact C-N 3.27Å; V162-I164 PolarHBondContact O-N 3.2Å; I164-V168 HydrophobicContact CG2-CB 4.05Å; I164-V168 HydrophobicContact CG2-CG1 3.94Å; I164-W169 VanDerWaalsContact CG2-CD1 3.43Å; I164-W169 HydrophobicContact CG2-CG 4.4Å
165D59.4Low59.1Low98 Ų9899.7 Ų99.752%0.52461%0.608SS.*  trans-61.9133.8-179.1-167.8-57.4000111.8A167 V168 W169D165-A167 PolarHBondContact O-N 2.91Å; D165-A167 VanDerWaalsContact O-N 3.09Å; D165-A167 VanDerWaalsContact OD1-CB 3.24Å; D165-A167 WeakPolarHBondContact OD1-CB 3.5Å; D165-A167 PolarHBondContact OD1-N 2.79Å; D165-V168 HydrophobicContact CB-CB 4.42Å; D165-V168 HydrophobicContact CB-CG2 4.06Å; D165-V168 WeakPolarHBondContact O-CA 3.5Å; D165-V168 WeakPolarHBondContact O-CB 3.32Å; D165-V168 PolarHBondContact O-N 3.31Å; D165-W169 PolarHBondContact O-N 3.42Å; D165-W169 VanDerWaalsContact O-N 3.16Å
166P64.2Low62.1Low92 Ų9299.2 Ų99.260%0.59760%0.597SS**Hα-helixtrans-58.5-16175-26.335.8000115.8R170P166-R170 WeakPolarHBondContact O-CG 3.47Å; P166-R170 PolarHBondContact O-NE 3.27Å
167A68.5Low64.8Low53 Ų5398.2 Ų98.244%0.43858%0.578SS.*Hα-helixtrans-75.9-38.616800000112.1D165 R170 N171D165-A167 PolarHBondContact O-N 2.91Å; D165-A167 VanDerWaalsContact O-N 3.09Å; D165-A167 VanDerWaalsContact OD1-CB 3.24Å; D165-A167 WeakPolarHBondContact OD1-CB 3.5Å; D165-A167 PolarHBondContact OD1-N 2.79Å; A167-R170 PolarHBondContact O-N 2.98Å; A167-N171 WeakPolarHBondContact O-CB 3.41Å; A167-N171 PolarHBondContact O-N 3.24Å
168V72.6Confident67.5Low81 Ų8194 Ų9449%0.49155%0.545SS..Hα-helixtrans-68.5-40.8178173.90000110.9I164 D165 N171 N172I164-V168 HydrophobicContact CG2-CB 4.05Å; I164-V168 HydrophobicContact CG2-CG1 3.94Å; D165-V168 HydrophobicContact CB-CB 4.42Å; D165-V168 HydrophobicContact CB-CG2 4.06Å; D165-V168 WeakPolarHBondContact O-CA 3.5Å; D165-V168 WeakPolarHBondContact O-CB 3.32Å; D165-V168 PolarHBondContact O-N 3.31Å; V168-N171 PolarHBondContact O-N 3.12Å; V168-N172 PolarHBondContact O-N 2.83Å
169W56.7Low70Confident159 Ų15992.3 Ų92.360%0.60253%0.532SS*.Hα-helixtrans-57.9-50.3173-90.395.5000112.3I164 D165 N171 N172 E173I164-W169 VanDerWaalsContact CG2-CD1 3.43Å; I164-W169 HydrophobicContact CG2-CG 4.4Å; D165-W169 PolarHBondContact O-N 3.42Å; D165-W169 VanDerWaalsContact O-N 3.16Å; W169-N171 PolarHBondContact O-N 2.8Å; W169-N172 WeakPolarHBondContact O-CB 3.34Å; W169-N172 PolarHBondContact O-N 2.95Å; W169-E173 PolarHBondContact O-N 2.85Å; W169-E173 VanDerWaalsContact O-N 3.15Å
170R78.9Confident72.6Confident158 Ų15891.4 Ų91.460%0.59652%0.515SS*.Hα-helixtrans-67.9-32.3179-70.5-174.9-64147.91.4113.2P166 A167 E173 V174P166-R170 WeakPolarHBondContact O-CG 3.47Å; P166-R170 PolarHBondContact O-NE 3.27Å; A167-R170 PolarHBondContact O-N 2.98Å; R170-E173 PolarHBondContact O-N 3.31Å; R170-V174 WeakPolarHBondContact O-CG2 3.32Å; R170-V174 PolarHBondContact O-N 2.81Å
171N86.4Confident75Confident34 Ų3487 Ų8718%0.18248%0.478CS..Hα-helixtrans-65.3-38.7171.8169.1-130.6000111.7A167 V168 W169 E173 V174 M175 G247 I249A167-N171 WeakPolarHBondContact O-CB 3.41Å; A167-N171 PolarHBondContact O-N 3.24Å; V168-N171 PolarHBondContact O-N 3.12Å; W169-N171 PolarHBondContact O-N 2.8Å; N171-E173 VanDerWaalsContact C-N 3.33Å; N171-E173 PolarHBondContact O-N 2.68Å; N171-V174 PolarHBondContact O-N 3.02Å; N171-M175 WeakPolarHBondContact O-CB 3.43Å; N171-M175 WeakPolarHBondContact O-CG 3.48Å; N171-M175 PolarHBondContact O-N 3.14Å; N171-G247 PolarHBondContact ND2-O 3.05Å; N171-G247 VanDerWaalsContact ND2-O 3.08Å; N171-I249 PolarHBondContact ND2-N 3.32Å; N171-I249 VanDerWaalsContact ND2-N 3.14Å
172N86.1Confident77.4Confident108 Ų10882.2 Ų82.258%0.57846%0.46SS*.Hα-helixtrans-63.8-37.4175.4-169.447.9000112.3V168 W169 M175 A176V168-N172 PolarHBondContact O-N 2.83Å; W169-N172 WeakPolarHBondContact O-CB 3.34Å; W169-N172 PolarHBondContact O-N 2.95Å; N172-M175 WeakPolarHBondContact O-CB 3.47Å; N172-M175 PolarHBondContact O-N 2.84Å; N172-A176 PolarHBondContact O-N 2.85Å
173E89.4Confident79.7Confident133 Ų13380.8 Ų80.862%0.62144%0.441SS*.Hα-helixtrans-66-47173.5-171.3169.1-148.400111.9W169 R170 N171 M175 A176 E177W169-E173 PolarHBondContact O-N 2.85Å; W169-E173 VanDerWaalsContact O-N 3.15Å; R170-E173 PolarHBondContact O-N 3.31Å; N171-E173 VanDerWaalsContact C-N 3.33Å; N171-E173 PolarHBondContact O-N 2.68Å; E173-M175 VanDerWaalsContact C-N 3.27Å; E173-M175 PolarHBondContact O-N 3.45Å; E173-A176 WeakPolarHBondContact O-CB 3.13Å; E173-A176 PolarHBondContact O-N 2.7Å; E173-E177 PolarHBondContact O-N 3Å
174V90.8Very high81.7Confident17 Ų1778.1 Ų78.110%0.10341%0.405CS..Hα-helixtrans-64.9-29.6174.6173.80000112.5R170 N171 E177 L178 F239 I249R170-V174 WeakPolarHBondContact O-CG2 3.32Å; R170-V174 PolarHBondContact O-N 2.81Å; N171-V174 PolarHBondContact O-N 3.02Å; V174-E177 PolarHBondContact O-N 2.86Å; V174-L178 WeakPolarHBondContact O-CB 3Å; V174-L178 PolarHBondContact O-N 3Å; V174-F239 HydrophobicContact CG1-CD1 3.98Å; V174-F239 HydrophobicContact CG1-CE1 4.18Å; V174-I249 HydrophobicContact CG1-CB 3.94Å; V174-I249 HydrophobicContact CG1-CG2 3.7Å
175M90.3Very high83.6Confident86 Ų8678.9 Ų78.942%0.42440%0.402SS..Hα-helixtrans-68-36.7171-78.8-74.4-67.800112.1N171 N172 E173 L178 N179 I249N171-M175 WeakPolarHBondContact O-CB 3.43Å; N171-M175 WeakPolarHBondContact O-CG 3.48Å; N171-M175 PolarHBondContact O-N 3.14Å; N172-M175 WeakPolarHBondContact O-CB 3.47Å; N172-M175 PolarHBondContact O-N 2.84Å; E173-M175 VanDerWaalsContact C-N 3.27Å; E173-M175 PolarHBondContact O-N 3.45Å; M175-L178 PolarHBondContact O-N 3.07Å; M175-N179 PolarHBondContact O-N 3.42Å; M175-I249 HydrophobicContact CG-CD1 4.46Å; M175-I249 HydrophobicContact SD-CD1 3.38Å; M175-I249 WeakPolarHBondContact SD-CD1 3.35Å; M175-I249 HydrophobicContact SD-CG1 4.1Å
176A90Very high85.1Confident55 Ų5580.4 Ų80.446%0.45542%0.415SS..Hα-helixtrans-66.6-45.3172.200000111N172 E173 L178 N179 E180N172-A176 PolarHBondContact O-N 2.85Å; E173-A176 WeakPolarHBondContact O-CB 3.13Å; E173-A176 PolarHBondContact O-N 2.7Å; A176-L178 VanDerWaalsContact C-N 3.32Å; A176-L178 PolarHBondContact O-N 3.07Å; A176-N179 WeakPolarHBondContact O-CB 3.34Å; A176-N179 PolarHBondContact O-N 2.89Å; A176-N179 VanDerWaalsContact O-N 3.08Å; A176-E180 PolarHBondContact O-N 2.76Å
177E92.1Very high86.2Confident68 Ų6881.7 Ų81.732%0.31841%0.413SS..Hα-helixtrans-55.7-45.1172.3-65.4-163.7124.600112.1E173 V174 N179 E180 V181 K237 F239E173-E177 PolarHBondContact O-N 3Å; V174-E177 PolarHBondContact O-N 2.86Å; E177-N179 PolarHBondContact O-N 2.67Å; E177-E180 WeakPolarHBondContact O-CB 3.49Å; E177-E180 PolarHBondContact O-N 2.71Å; E177-E180 VanDerWaalsContact O-N 3.14Å; E177-V181 WeakPolarHBondContact O-CG2 3.32Å; E177-V181 PolarHBondContact O-N 2.89Å; E177-K237 IonicContact OE1-NZ 3.16Å; E177-K237 PolarHBondContact OE1-NZ 2.94Å; E177-K237 VanDerWaalsContact OE2-CE 3.31Å; E177-K237 WeakPolarHBondContact OE2-CE 3.49Å; E177-K237 IonicContact OE2-NZ 3.29Å; E177-K237 PolarHBondContact OE2-NZ 2.98Å; E177-F239 HydrophobicContact CB-CE1 3.81Å; E177-F239 HydrophobicContact CB-CZ 4.12Å
178L93.2Very high87.1Confident29 Ų2980.5 Ų80.515%0.15241%0.406CS..Hα-helixtrans-61-33.6178.2179.560000112.4V174 M175 A176 V181 A182 L224 A225 F239 I249V174-L178 WeakPolarHBondContact O-CB 3Å; V174-L178 PolarHBondContact O-N 3Å; M175-L178 PolarHBondContact O-N 3.07Å; A176-L178 VanDerWaalsContact C-N 3.32Å; A176-L178 PolarHBondContact O-N 3.07Å; L178-V181 PolarHBondContact O-N 3.26Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.3Å; L178-L224 HydrophobicContact CD2-CB 4.45Å; L178-L224 HydrophobicContact CD2-CD1 4.17Å; L178-A225 HydrophobicContact CD1-CB 3.33Å; L178-F239 HydrophobicContact CB-CD1 4.32Å; L178-F239 HydrophobicContact CD1-CB 4.09Å; L178-F239 HydrophobicContact CD1-CG 4.2Å; L178-I249 HydrophobicContact CD2-CD1 3.35Å
179N91.9Very high87.9Confident93 Ų9376.8 Ų76.850%0.49738%0.383SS..Hα-helixtrans-72.4-36.7175.3-170.333.1000112.4M175 A176 E177 A182 R183M175-N179 PolarHBondContact O-N 3.42Å; A176-N179 WeakPolarHBondContact O-CB 3.34Å; A176-N179 PolarHBondContact O-N 2.89Å; A176-N179 VanDerWaalsContact O-N 3.08Å; E177-N179 PolarHBondContact O-N 2.67Å; N179-A182 PolarHBondContact O-N 2.72Å; N179-R183 PolarHBondContact O-N 2.92Å
180E91.5Very high89.1Confident93 Ų9372.5 Ų72.544%0.43538%0.375SS..Hα-helixtrans-60.1-45.5167.7-64.3-57.9141.600110.9A176 E177 A182 R183 N184A176-E180 PolarHBondContact O-N 2.76Å; E177-E180 WeakPolarHBondContact O-CB 3.49Å; E177-E180 PolarHBondContact O-N 2.71Å; E177-E180 VanDerWaalsContact O-N 3.14Å; E180-A182 VanDerWaalsContact C-N 3.34Å; E180-A182 PolarHBondContact O-N 3.35Å; E180-R183 PolarHBondContact O-N 3.43Å; E180-R183 IonicContact OE1-CZ 3.19Å; E180-R183 IonicContact OE1-NH1 3.38Å; E180-R183 IonicContact OE1-NH2 2.7Å; E180-R183 PolarHBondContact OE1-NH2 3.37Å; E180-R183 IonicContact OE2-CZ 2.8Å; E180-R183 IonicContact OE2-NH1 2.72Å; E180-R183 PolarHBondContact OE2-NH1 3.12Å; E180-R183 IonicContact OE2-NH2 3.55Å; E180-R183 PolarHBondContact OE2-NH2 3.08Å; E180-N184 WeakPolarHBondContact O-CB 3.38Å; E180-N184 PolarHBondContact O-N 3.4Å; E180-N184 PolarHBondContact O-ND2 3.05Å
181V92.3Very high89.4Confident6 Ų672.1 Ų72.14%0.03639%0.386CS..Hα-helixtrans-65.2-37.1179.1174.40000111.8E177 L178 R183 N184 R185 A225 F226 D227 F239E177-V181 WeakPolarHBondContact O-CG2 3.32Å; E177-V181 PolarHBondContact O-N 2.89Å; L178-V181 PolarHBondContact O-N 3.26Å; V181-R183 PolarHBondContact O-N 3.14Å; V181-N184 PolarHBondContact O-N 3.11Å; V181-R185 WeakPolarHBondContact O-CB 3.5Å; V181-R185 PolarHBondContact O-N 3.1Å; V181-A225 HydrophobicContact CG1-CB 3.79Å; V181-F226 WeakPolarHBondContact CG1-O 3.43Å; V181-D227 HydrophobicContact CB-CB 4.4Å; V181-D227 HydrophobicContact CG1-CB 3.92Å; V181-D227 HydrophobicContact CG2-CB 3.55Å; V181-F239 HydrophobicContact CG2-CE2 3.79Å; V181-F239 HydrophobicContact CG2-CZ 3.95Å
182A91.5Very high89.5Confident51 Ų5172 Ų7242%0.42138%0.383SS..Hα-helixtrans-61.6-40.6173.800000112.3L178 N179 E180 V186L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.3Å; N179-A182 PolarHBondContact O-N 2.72Å; E180-A182 VanDerWaalsContact C-N 3.34Å; E180-A182 PolarHBondContact O-N 3.35Å; A182-V186 WeakPolarHBondContact O-CG2 3.42Å; A182-V186 PolarHBondContact O-N 2.85Å
183R89.9Confident89.7Confident98 Ų9869.8 Ų69.837%0.3737%0.374SS..Hα-helixtrans-69.7-47.1173.3-82.4-177.7-81.7105.9-3.7112.6N179 E180 V181 R185 V186 E187N179-R183 PolarHBondContact O-N 2.92Å; E180-R183 PolarHBondContact O-N 3.43Å; E180-R183 IonicContact OE1-CZ 3.19Å; E180-R183 IonicContact OE1-NH1 3.38Å; E180-R183 IonicContact OE1-NH2 2.7Å; E180-R183 PolarHBondContact OE1-NH2 3.37Å; E180-R183 IonicContact OE2-CZ 2.8Å; E180-R183 IonicContact OE2-NH1 2.72Å; E180-R183 PolarHBondContact OE2-NH1 3.12Å; E180-R183 IonicContact OE2-NH2 3.55Å; E180-R183 PolarHBondContact OE2-NH2 3.08Å; V181-R183 PolarHBondContact O-N 3.14Å; R183-R185 PolarHBondContact O-N 3.34Å; R183-V186 WeakPolarHBondContact O-CA 3.38Å; R183-V186 PolarHBondContact O-N 3.47Å; R183-E187 PolarHBondContact O-N 2.65Å
184N90.3Very high89.8Confident37 Ų3770.3 Ų70.320%0.19837%0.374CS..Hα-helixtrans-54.2-37.4174.8-80.4-65.9000112.5E180 V181 E187 G188 W189E180-N184 WeakPolarHBondContact O-CB 3.38Å; E180-N184 PolarHBondContact O-N 3.4Å; E180-N184 PolarHBondContact O-ND2 3.05Å; V181-N184 PolarHBondContact O-N 3.11Å; N184-E187 PolarHBondContact O-N 3.36Å; N184-G188 PolarHBondContact O-N 3.05Å; N184-W189 HydrophobicContact CB-CG 4.36Å; N184-W189 PolarHBondContact O-N 2.96Å
185R90.3Very high89.8Confident107 Ų10772.1 Ų72.140%0.40439%0.391SS..Hα-helixtrans-63.7-41.3173.7176.7-179.7174.1174.25.3112.8V181 R183 G188 W189 S204V181-R185 WeakPolarHBondContact O-CB 3.5Å; V181-R185 PolarHBondContact O-N 3.1Å; R183-R185 PolarHBondContact O-N 3.34Å; R185-G188 PolarHBondContact O-N 3.33Å; R185-W189 HydrophobicContact CB-CH2 3.74Å; R185-W189 HydrophobicContact CB-CZ2 3.91Å; R185-W189 HydrophobicContact CB-CZ3 4.33Å; R185-W189 HydrophobicContact CG-CH2 3.79Å; R185-W189 HydrophobicContact CG-CZ2 4.43Å; R185-W189 HydrophobicContact CG-CZ3 4.29Å; R185-S204 PolarHBondContact NH1-O 3.45Å; R185-S204 PolarHBondContact NH2-O 3.2Å
186V89.9Confident89.9Confident130 Ų13068.3 Ų68.379%0.78837%0.372SS*.Hα-helixtrans-70.5-38.5177.9173.10000111.2A182 R183 G188A182-V186 WeakPolarHBondContact O-CG2 3.42Å; A182-V186 PolarHBondContact O-N 2.85Å; R183-V186 WeakPolarHBondContact O-CA 3.38Å; R183-V186 PolarHBondContact O-N 3.47Å; V186-G188 PolarHBondContact O-N 3.1Å
187E88.6Confident90Very high119 Ų11970.1 Ų70.156%0.55637%0.367SS*.Hα-helixtrans-76.5-9.5177.3-67.2170-147.200113.3R183 N184R183-E187 PolarHBondContact O-N 2.65Å; N184-E187 PolarHBondContact O-N 3.36Å
188G86.3Confident90Very high29 Ų2970.6 Ų70.630%0.29937%0.372SS..THydrogen-bonded Turntrans72.828.7179.600000114N184 R185 V186 R197N184-G188 PolarHBondContact O-N 3.05Å; R185-G188 PolarHBondContact O-N 3.33Å; V186-G188 PolarHBondContact O-N 3.1Å; G188-R197 WeakPolarHBondContact O-CD 3.41Å
189W89.8Confident90.1Very high3 Ų369.4 Ų69.41%0.01137%0.366CS..  trans50.655.7178-67.9-89.4000114N184 R185 N191 R192 R197 L200 V201 S204 D227N184-W189 HydrophobicContact CB-CG 4.36Å; N184-W189 PolarHBondContact O-N 2.96Å; R185-W189 HydrophobicContact CB-CH2 3.74Å; R185-W189 HydrophobicContact CB-CZ2 3.91Å; R185-W189 HydrophobicContact CB-CZ3 4.33Å; R185-W189 HydrophobicContact CG-CH2 3.79Å; R185-W189 HydrophobicContact CG-CZ2 4.43Å; R185-W189 HydrophobicContact CG-CZ3 4.29Å; W189-N191 PolarHBondContact O-N 3.37Å; W189-R192 HydrophobicContact CB-CB 4.15Å; W189-R192 HydrophobicContact CB-CG 3.71Å; W189-R192 HydrophobicContact CG-CG 4.34Å; W189-R192 WeakPolarHBondContact O-CB 3.06Å; W189-R192 PolarHBondContact O-N 2.97Å; W189-R197 HydrophobicContact CB-CG 3.98Å; W189-R197 VanDerWaalsContact O-CD 3.32Å; W189-R197 WeakPolarHBondContact O-CD 3.28Å; W189-L200 HydrophobicContact CD2-CB 4.29Å; W189-L200 HydrophobicContact CD2-CD1 4.14Å; W189-L200 HydrophobicContact CE3-CB 4.29Å; W189-L200 HydrophobicContact CG-CD1 4.19Å; W189-L200 HydrophobicContact CH2-CB 3.97Å; W189-L200 HydrophobicContact CZ2-CB 3.94Å; W189-L200 HydrophobicContact CZ2-CD1 4.36Å; W189-L200 HydrophobicContact CZ3-CB 4.14Å; W189-V201 HydrophobicContact CE3-CG2 4.41Å; W189-V201 HydrophobicContact CZ3-CG2 3.94Å; W189-S204 WeakPolarHBondContact CH2-OG 3.49Å; W189-D227 VanDerWaalsContact CD1-OD1 3.31Å; W189-D227 PolarHBondContact NE1-OD1 3.13Å
190P81.3Confident90.2Very high68 Ų6865 Ų6544%0.44234%0.343SS..THydrogen-bonded Turntrans-55-34.2-165.721.4-33.5000114R192P190-R192 VanDerWaalsContact C-N 3.29Å; P190-R192 PolarHBondContact O-N 3.08Å
191N85.1Confident90.3Very high151 Ų15163.8 Ų63.881%0.80734%0.341SS*.THydrogen-bonded Turntrans-82.98.5-177.8-59.5-30.3000114.6W189W189-N191 PolarHBondContact O-N 3.37Å
192R88.3Confident90.3Very high32 Ų3264.9 Ų64.912%0.12135%0.351CS..SBendtrans-108.8144.5-175.3-53.3-59.8-171132.413.6113W189 P190 V196 R197 D227 A228W189-R192 HydrophobicContact CB-CB 4.15Å; W189-R192 HydrophobicContact CB-CG 3.71Å; W189-R192 HydrophobicContact CG-CG 4.34Å; W189-R192 WeakPolarHBondContact O-CB 3.06Å; W189-R192 PolarHBondContact O-N 2.97Å; P190-R192 VanDerWaalsContact C-N 3.29Å; P190-R192 PolarHBondContact O-N 3.08Å; R192-V196 HydrophobicContact CB-CB 4.35Å; R192-V196 HydrophobicContact CB-CG1 4.19Å; R192-R197 HydrophobicContact CB-CG 3.86Å; R192-R197 PolarHBondContact O-NE 2.89Å; R192-D227 IonicContact NH2-OD1 3.97Å; R192-D227 PolarHBondContact NH2-OD1 3.37Å; R192-D227 IonicContact NH2-OD2 2.69Å; R192-D227 PolarHBondContact NH2-OD2 3.31Å; R192-A228 PolarHBondContact NH1-O 2.96Å; R192-A228 PolarHBondContact NH2-O 2.78Å
193P91.8Very high90.4Very high61 Ų6162.4 Ų62.440%0.39633%0.331SS..  trans-55.9152172.8-24.333.6000112.5A195 V196 R197 F234P193-A195 PolarHBondContact O-N 3.36Å; P193-V196 HydrophobicContact CB-CG2 4.21Å; P193-V196 HydrophobicContact CG-CG2 4.23Å; P193-V196 WeakPolarHBondContact O-CB 3.1Å; P193-V196 PolarHBondContact O-N 2.63Å; P193-V196 VanDerWaalsContact O-N 3.1Å; P193-R197 PolarHBondContact O-N 2.9Å; P193-F234 VanDerWaalsContact CD-CZ 3.5Å; P193-F234 HydrophobicContact CG-CE2 3.63Å; P193-F234 HydrophobicContact CG-CZ 3.76Å
194K90.4Very high90.6Very high144 Ų14457.9 Ų57.963%0.62631%0.314SS*.Hα-helixtrans-56.2-46.1-175.2-165.6-163.2172.5-149.20112.8V196 R197 D198K194-V196 VanDerWaalsContact C-N 3.29Å; K194-V196 PolarHBondContact O-N 2.66Å; K194-R197 WeakPolarHBondContact O-CB 3.33Å; K194-R197 PolarHBondContact O-N 2.86Å; K194-D198 WeakPolarHBondContact CE-OD2 3.46Å; K194-D198 IonicContact NZ-OD2 3.88Å; K194-D198 PolarHBondContact NZ-OD2 2.91Å; K194-D198 VanDerWaalsContact O-CG 3.29Å; K194-D198 PolarHBondContact O-N 3.46Å
195A90.1Very high90.6Very high55 Ų5561.1 Ų61.146%0.45533%0.331SS..Hα-helixtrans-58.3-39.5178.700000113P193 V199P193-A195 PolarHBondContact O-N 3.36Å; A195-V199 WeakPolarHBondContact O-CG2 3.32Å; A195-V199 PolarHBondContact O-N 2.92Å
196V93.1Very high90.6Very high5 Ų556.1 Ų56.13%0.0331%0.313CS..Hα-helixtrans-64.2-44.5175.1-179.30000110.3R192 P193 K194 L200 A228 F234 F304R192-V196 HydrophobicContact CB-CB 4.35Å; R192-V196 HydrophobicContact CB-CG1 4.19Å; P193-V196 HydrophobicContact CB-CG2 4.21Å; P193-V196 HydrophobicContact CG-CG2 4.23Å; P193-V196 WeakPolarHBondContact O-CB 3.1Å; P193-V196 PolarHBondContact O-N 2.63Å; P193-V196 VanDerWaalsContact O-N 3.1Å; K194-V196 VanDerWaalsContact C-N 3.29Å; K194-V196 PolarHBondContact O-N 2.66Å; V196-L200 HydrophobicContact CG1-CD1 3.85Å; V196-L200 HydrophobicContact CG1-CG 4.41Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 VanDerWaalsContact O-CG 3.28Å; V196-L200 WeakPolarHBondContact O-CG 3.24Å; V196-L200 PolarHBondContact O-N 3.48Å; V196-A228 HydrophobicContact CG1-CB 3.67Å; V196-F234 HydrophobicContact CG2-CB 4.28Å; V196-F234 HydrophobicContact CG2-CD1 4.34Å; V196-F234 HydrophobicContact CG2-CD2 4.06Å; V196-F234 HydrophobicContact CG2-CG 3.98Å; V196-F304 HydrophobicContact CB-CD1 4.2Å; V196-F304 HydrophobicContact CB-CG 4.3Å; V196-F304 HydrophobicContact CG1-CD1 3.99Å; V196-F304 HydrophobicContact CG1-CD2 4.43Å; V196-F304 HydrophobicContact CG1-CE1 3.93Å; V196-F304 HydrophobicContact CG1-CE2 4.37Å; V196-F304 HydrophobicContact CG1-CG 4.24Å; V196-F304 HydrophobicContact CG1-CZ 4.13Å; V196-F304 HydrophobicContact CG2-CB 3.91Å; V196-F304 HydrophobicContact CG2-CD1 4.3Å; V196-F304 HydrophobicContact CG2-CD2 4.23Å; V196-F304 HydrophobicContact CG2-CG 3.89Å
197R93.1Very high90.7Very high93 Ų9350.8 Ų50.835%0.35128%0.279SS..Hα-helixtrans-64.8-45.9177.7-68.9-165.6-95.2157.5-6.6113.3G188 W189 R192 P193 K194 V199 L200 V201G188-R197 WeakPolarHBondContact O-CD 3.41Å; W189-R197 HydrophobicContact CB-CG 3.98Å; W189-R197 VanDerWaalsContact O-CD 3.32Å; W189-R197 WeakPolarHBondContact O-CD 3.28Å; R192-R197 HydrophobicContact CB-CG 3.86Å; R192-R197 PolarHBondContact O-NE 2.89Å; P193-R197 PolarHBondContact O-N 2.9Å; K194-R197 WeakPolarHBondContact O-CB 3.33Å; K194-R197 PolarHBondContact O-N 2.86Å; R197-V199 VanDerWaalsContact C-N 3.28Å; R197-V199 PolarHBondContact O-N 3.43Å; R197-L200 PolarHBondContact O-N 3.44Å; R197-V201 WeakPolarHBondContact O-CB 3.46Å; R197-V201 VanDerWaalsContact O-CG2 3.32Å; R197-V201 WeakPolarHBondContact O-CG2 3.4Å; R197-V201 PolarHBondContact O-N 2.94Å
198D92.4Very high90.9Very high79 Ų7948.4 Ų48.442%0.42228%0.275SS..Hα-helixtrans-60-40.5-178.5-67.2-12.8000110.3K194 A202K194-D198 WeakPolarHBondContact CE-OD2 3.46Å; K194-D198 IonicContact NZ-OD2 3.88Å; K194-D198 PolarHBondContact NZ-OD2 2.91Å; K194-D198 VanDerWaalsContact O-CG 3.29Å; K194-D198 PolarHBondContact O-N 3.46Å; D198-A202 WeakPolarHBondContact O-CB 3.45Å; D198-A202 PolarHBondContact O-N 3.18Å; D198-A202 VanDerWaalsContact O-N 3.15Å
199V94.1Very high91.3Very high4 Ų447.1 Ų47.12%0.02426%0.261CS..Hα-helixtrans-65.4-50.4172.1171.10000112.3A195 R197 V201 A202 L203 V301 F304A195-V199 WeakPolarHBondContact O-CG2 3.32Å; A195-V199 PolarHBondContact O-N 2.92Å; R197-V199 VanDerWaalsContact C-N 3.28Å; R197-V199 PolarHBondContact O-N 3.43Å; V199-V201 VanDerWaalsContact C-N 3.32Å; V199-V201 PolarHBondContact O-N 3.35Å; V199-A202 PolarHBondContact O-N 2.87Å; V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 WeakPolarHBondContact O-CG 3.23Å; V199-L203 PolarHBondContact O-N 2.9Å; V199-V301 HydrophobicContact CG1-CG1 4.12Å; V199-F304 HydrophobicContact CB-CD1 3.76Å; V199-F304 HydrophobicContact CB-CE1 4.12Å; V199-F304 HydrophobicContact CG1-CD1 3.69Å; V199-F304 HydrophobicContact CG1-CE1 3.74Å; V199-F304 HydrophobicContact CG2-CD1 4.11Å
200L94.7Very high91.6Very high0 Ų048.5 Ų48.50%027%0.268CS..Hα-helixtrans-64-35.9-177.1-71.9175.9000112.3W189 V196 R197 S204 F226 A228 L236 F304W189-L200 HydrophobicContact CD2-CB 4.29Å; W189-L200 HydrophobicContact CD2-CD1 4.14Å; W189-L200 HydrophobicContact CE3-CB 4.29Å; W189-L200 HydrophobicContact CG-CD1 4.19Å; W189-L200 HydrophobicContact CH2-CB 3.97Å; W189-L200 HydrophobicContact CZ2-CB 3.94Å; W189-L200 HydrophobicContact CZ2-CD1 4.36Å; W189-L200 HydrophobicContact CZ3-CB 4.14Å; V196-L200 HydrophobicContact CG1-CD1 3.85Å; V196-L200 HydrophobicContact CG1-CG 4.41Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 VanDerWaalsContact O-CG 3.28Å; V196-L200 WeakPolarHBondContact O-CG 3.24Å; V196-L200 PolarHBondContact O-N 3.48Å; R197-L200 PolarHBondContact O-N 3.44Å; L200-S204 WeakPolarHBondContact O-CB 3.35Å; L200-S204 PolarHBondContact O-N 3.17Å; L200-S204 PolarHBondContact O-OG 3.41Å; L200-F226 HydrophobicContact CD2-CB 4Å; L200-A228 HydrophobicContact CD1-CB 4.24Å; L200-L236 HydrophobicContact CD2-CD1 3.74Å; L200-F304 HydrophobicContact CD2-CE1 4.08Å; L200-F304 HydrophobicContact CD2-CZ 4.32Å; L200-F304 HydrophobicContact CG-CE1 4.04Å
201V93.6Very high92.3Very high68 Ų6845.2 Ų45.241%0.41225%0.247SC..Hα-helixtrans-65.6-47.4172.7170.10000111W189 R197 V199 L203 S204 N205W189-V201 HydrophobicContact CE3-CG2 4.41Å; W189-V201 HydrophobicContact CZ3-CG2 3.94Å; R197-V201 WeakPolarHBondContact O-CB 3.46Å; R197-V201 VanDerWaalsContact O-CG2 3.32Å; R197-V201 WeakPolarHBondContact O-CG2 3.4Å; R197-V201 PolarHBondContact O-N 2.94Å; V199-V201 VanDerWaalsContact C-N 3.32Å; V199-V201 PolarHBondContact O-N 3.35Å; V201-L203 PolarHBondContact O-N 3.23Å; V201-S204 PolarHBondContact O-N 3.5Å; V201-N205 VanDerWaalsContact O-CG 3.26Å; V201-N205 PolarHBondContact O-N 3.38Å; V201-N205 VanDerWaalsContact O-N 3.12Å; V201-N205 PolarHBondContact O-ND2 3.12Å
202A92.6Very high92.8Very high28 Ų2839.8 Ų39.823%0.23122%0.215CC..Hα-helixtrans-59.8-47.5179.400000112.1D198 V199 N205 P308D198-A202 WeakPolarHBondContact O-CB 3.45Å; D198-A202 PolarHBondContact O-N 3.18Å; D198-A202 VanDerWaalsContact O-N 3.15Å; V199-A202 PolarHBondContact O-N 2.87Å; A202-N205 PolarHBondContact O-N 3.18Å; A202-P308 HydrophobicContact CB-CG 3.67Å
203L93.7Very high93.1Very high0 Ų038.3 Ų38.30%021%0.21CC..Hα-helixtrans-65.9-40.5175.8-67.2176.4000112V199 V201 N205 S206 F226 L236 L296 L297 V301 P308 L313V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 WeakPolarHBondContact O-CG 3.23Å; V199-L203 PolarHBondContact O-N 2.9Å; V201-L203 PolarHBondContact O-N 3.23Å; L203-N205 PolarHBondContact O-N 2.83Å; L203-S206 PolarHBondContact O-N 3.35Å; L203-S206 PolarHBondContact O-OG 3.4Å; L203-F226 HydrophobicContact CB-CB 4.47Å; L203-F226 HydrophobicContact CB-CD1 4.48Å; L203-F226 HydrophobicContact CB-CD2 3.6Å; L203-F226 HydrophobicContact CB-CE2 3.79Å; L203-F226 HydrophobicContact CB-CG 3.95Å; L203-F226 HydrophobicContact CB-CZ 4.32Å; L203-F226 HydrophobicContact CD1-CD1 3.97Å; L203-F226 HydrophobicContact CD1-CE1 4.17Å; L203-F226 HydrophobicContact CD1-CG 4.16Å; L203-F226 HydrophobicContact CD2-CZ 4.42Å; L203-L236 HydrophobicContact CD1-CD1 3.86Å; L203-L236 HydrophobicContact CD1-CD2 3.76Å; L203-L236 HydrophobicContact CD1-CG 4.49Å; L203-L296 HydrophobicContact CD2-CD1 4.02Å; L203-L297 HydrophobicContact CD1-CD2 4.32Å; L203-L297 HydrophobicContact CD2-CD2 4.21Å; L203-V301 HydrophobicContact CD1-CG1 4.19Å; L203-P308 HydrophobicContact CD2-CB 3.99Å; L203-P308 HydrophobicContact CD2-CG 4.07Å; L203-P308 HydrophobicContact CG-CG 4.2Å; L203-L313 HydrophobicContact CD2-CD2 4.19Å
204S92.3Very high93.2Very high3 Ų339.8 Ų39.82%0.02121%0.207CC..Hα-helixtrans-68.7-16.4-179-65.60000114.4R185 W189 L200 V201 S206 I207R185-S204 PolarHBondContact NH1-O 3.45Å; R185-S204 PolarHBondContact NH2-O 3.2Å; W189-S204 WeakPolarHBondContact CH2-OG 3.49Å; L200-S204 WeakPolarHBondContact O-CB 3.35Å; L200-S204 PolarHBondContact O-N 3.17Å; L200-S204 PolarHBondContact O-OG 3.41Å; V201-S204 PolarHBondContact O-N 3.5Å; S204-S206 VanDerWaalsContact C-N 3.31Å; S204-I207 WeakPolarHBondContact O-CG1 3.37Å
205N91.6Very high93.3Very high104 Ų10438.7 Ų38.756%0.55620%0.202SC*.THydrogen-bonded Turntrans-82.4-7.1172.8-67.5-23000113.4V201 A202 L203V201-N205 VanDerWaalsContact O-CG 3.26Å; V201-N205 PolarHBondContact O-N 3.38Å; V201-N205 VanDerWaalsContact O-N 3.12Å; V201-N205 PolarHBondContact O-ND2 3.12Å; A202-N205 PolarHBondContact O-N 3.18Å; L203-N205 PolarHBondContact O-N 2.83Å
206S90.8Very high93.4Very high2 Ų237.8 Ų37.81%0.01419%0.19CC..SBendtrans-97.5-10.5177.972.20000114.7L203 S204 F209 P314L203-S206 PolarHBondContact O-N 3.35Å; L203-S206 PolarHBondContact O-OG 3.4Å; S204-S206 VanDerWaalsContact C-N 3.31Å; S206-F209 WeakPolarHBondContact O-CD1 3.16Å; S206-P314 VanDerWaalsContact CB-O 3.32Å; S206-P314 WeakPolarHBondContact CB-O 3.43Å
207I91.2Very high93.5Very high18 Ų1841.9 Ų41.99%0.09221%0.209CC..  trans-95.2148.3-174.446.9171.3000113S204 F209 V223 L224 F226S204-I207 WeakPolarHBondContact O-CG1 3.37Å; I207-F209 HydrophobicContact CG2-CD1 3.74Å; I207-F209 HydrophobicContact CG2-CE1 3.74Å; I207-V223 HydrophobicContact CG2-CB 4.38Å; I207-V223 HydrophobicContact CG2-CG1 3.94Å; I207-L224 WeakPolarHBondContact CD1-O 3.3Å; I207-F226 HydrophobicContact CG2-CD2 4.09Å; I207-F226 HydrophobicContact CG2-CE2 3.67Å
208P93.7Very high93.5Very high70 Ų7044 Ų4446%0.45523%0.227SC..SBendcis-81.7147.6-0.232.8-34.9000113R222 V223 L224 Q285P208-R222 HydrophobicContact CB-CG 4.03Å; P208-V223 VanDerWaalsContact CA-O 3.31Å; P208-V223 WeakPolarHBondContact CA-O 3.17Å; P208-L224 HydrophobicContact CB-CD2 4.37Å; P208-Q285 PolarHBondContact O-NE2 3.4Å
209F94.2Very high93.7Very high1 Ų141.7 Ų41.70%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-138.5156.217466.3-94.2000112.6S206 I207 V211 R222 V223 F226 Y281 L296 P314S206-F209 WeakPolarHBondContact O-CD1 3.16Å; I207-F209 HydrophobicContact CG2-CD1 3.74Å; I207-F209 HydrophobicContact CG2-CE1 3.74Å; F209-V211 HydrophobicContact CD2-CG1 4.2Å; F209-V211 HydrophobicContact CE2-CG1 3.84Å; F209-R222 WeakPolarHBondContact O-CA 3.44Å; F209-V223 HydrophobicContact CD1-CB 4.11Å; F209-V223 HydrophobicContact CD2-CB 4.34Å; F209-V223 HydrophobicContact CD2-CG2 4.08Å; F209-V223 HydrophobicContact CE1-CB 3.77Å; F209-V223 HydrophobicContact CE1-CG1 3.91Å; F209-V223 HydrophobicContact CE1-CG2 4.12Å; F209-V223 HydrophobicContact CE2-CB 4.01Å; F209-V223 HydrophobicContact CE2-CG2 3.49Å; F209-V223 VanDerWaalsContact CE2-CG2 3.49Å; F209-V223 HydrophobicContact CG-CB 4.39Å; F209-V223 HydrophobicContact CZ-CB 3.72Å; F209-V223 HydrophobicContact CZ-CG1 3.99Å; F209-V223 HydrophobicContact CZ-CG2 3.52Å; F209-V223 PolarHBondContact N-O 2.97Å; F209-V223 PolarHBondContact O-N 3.5Å; F209-F226 HydrophobicContact CE1-CE2 4.01Å; F209-F226 HydrophobicContact CE1-CZ 4.02Å; F209-F226 HydrophobicContact CZ-CZ 4.11Å; F209-Y281 HydrophobicContact CE2-CG 4.38Å; F209-L296 HydrophobicContact CE1-CD2 4.41Å; F209-L296 HydrophobicContact CE2-CD2 4.23Å; F209-L296 HydrophobicContact CZ-CD2 3.7Å; F209-P314 HydrophobicContact CB-CB 3.87Å; F209-P314 HydrophobicContact CB-CG 4.3Å; F209-P314 HydrophobicContact CD1-CB 4Å; F209-P314 HydrophobicContact CD1-CG 3.66Å; F209-P314 HydrophobicContact CD2-CB 4.33Å; F209-P314 HydrophobicContact CD2-CG 3.88Å; F209-P314 HydrophobicContact CE1-CG 3.79Å; F209-P314 HydrophobicContact CE2-CG 4.01Å; F209-P314 HydrophobicContact CG-CB 3.83Å; F209-P314 HydrophobicContact CG-CG 3.7Å; F209-P314 HydrophobicContact CZ-CG 3.96Å
210N94.9Very high93.7Very high32 Ų3245.1 Ų45.117%0.17123%0.23CC..EExtended strand (participates in β ladder)trans-82.4142.5-175.4-55.9-41.9000111.5Y281 E282 W290N210-Y281 WeakPolarHBondContact O-CA 3.49Å; N210-E282 HydrophobicContact CB-CB 4.26Å; N210-E282 PolarHBondContact ND2-OE2 3.48Å; N210-E282 PolarHBondContact O-N 2.83Å; N210-W290 HydrophobicContact CB-CH2 4.1Å
211V95.9Very high93.8Very high0 Ų045.2 Ų45.20%023%0.231CC..EExtended strand (participates in β ladder)trans-130.3151.8171.6-73.60000111.2F209 Q220 G221 V223 I240 V279 E280F209-V211 HydrophobicContact CD2-CG1 4.2Å; F209-V211 HydrophobicContact CE2-CG1 3.84Å; V211-Q220 CarbonylContact O-C 3.6Å; V211-Q220 WeakPolarHBondContact O-CA 3.33Å; V211-G221 WeakPolarHBondContact CG2-O 3.43Å; V211-G221 PolarHBondContact N-O 3.19Å; V211-G221 PolarHBondContact O-N 3.43Å; V211-G221 VanDerWaalsContact O-O 3.1Å; V211-V223 HydrophobicContact CG1-CG2 3.68Å; V211-V223 HydrophobicContact CG2-CG2 4.18Å; V211-I240 HydrophobicContact CG2-CG2 3.72Å; V211-V279 HydrophobicContact CB-CG1 3.91Å; V211-V279 HydrophobicContact CG1-CG1 4.19Å; V211-E280 CarbonylContact C-O 3.51Å; V211-E280 WeakPolarHBondContact CA-O 3.3Å; V211-E280 WeakPolarHBondContact CB-O 3.42Å
212R95.8Very high93.9Very high37 Ų3746.1 Ų46.114%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-139162.5178.675.7-179-172.8-173.70.9112.8H217 L219 Q220 V279 E280 W290R212-H217 VanDerWaalsContact CZ-CD2 3.5Å; R212-H217 PolarHBondContact NE-CD2 2.94Å; R212-H217 PolarHBondContact NH2-NE2 2.87Å; R212-L219 CarbonylContact C-O 3.41Å; R212-L219 WeakPolarHBondContact CA-O 3.19Å; R212-Q220 HydrophobicContact CB-CG 4.01Å; R212-V279 WeakPolarHBondContact O-CA 3.13Å; R212-E280 HydrophobicContact CG-CB 4.02Å; R212-E280 IonicContact CZ-OE2 2.72Å; R212-E280 VanDerWaalsContact CZ-OE2 3.23Å; R212-E280 PolarHBondContact N-O 2.99Å; R212-E280 IonicContact NE-OE2 2.99Å; R212-E280 PolarHBondContact NE-OE2 2.92Å; R212-E280 IonicContact NH2-OE2 3.12Å; R212-E280 PolarHBondContact NH2-OE2 3.19Å; R212-E280 PolarHBondContact O-N 2.88Å; R212-W290 HydrophobicContact CB-CE3 4.37Å; R212-W290 HydrophobicContact CB-CH2 4.01Å; R212-W290 HydrophobicContact CB-CZ3 3.8Å; R212-W290 HydrophobicContact CG-CD2 4.19Å; R212-W290 HydrophobicContact CG-CE3 3.61Å; R212-W290 HydrophobicContact CG-CH2 4.1Å; R212-W290 HydrophobicContact CG-CZ3 3.56Å
213F95.8Very high94.1Very high0 Ų044.8 Ų44.80%022%0.216CC..EExtended strand (participates in β ladder)trans-81.8122.9173.2-165.2-140.9000111.8K215 D216 L219 V257 M260 F261 Y278F213-K215 HydrophobicContact CD1-CB 3.86Å; F213-K215 HydrophobicContact CE1-CB 3.58Å; F213-K215 HydrophobicContact CE1-CG 4.41Å; F213-K215 HydrophobicContact CG-CB 4.49Å; F213-K215 HydrophobicContact CZ-CB 3.96Å; F213-K215 HydrophobicContact CZ-CG 4.3Å; F213-K215 PolarHBondContact O-N 2.91Å; F213-K215 VanDerWaalsContact O-N 3.1Å; F213-D216 HydrophobicContact CD1-CB 4.02Å; F213-D216 CarbonylContact O-C 3.43Å; F213-D216 PolarHBondContact O-N 3.37Å; F213-D216 VanDerWaalsContact O-O 3.04Å; F213-L219 HydrophobicContact CB-CB 3.94Å; F213-L219 HydrophobicContact CD1-CD1 4.04Å; F213-L219 PolarHBondContact N-O 3.24Å; F213-V257 HydrophobicContact CE2-CG1 4.37Å; F213-M260 HydrophobicContact CB-CB 4.21Å; F213-M260 HydrophobicContact CB-CE 4.04Å; F213-M260 HydrophobicContact CB-CG 4.23Å; F213-M260 HydrophobicContact CB-SD 3.68Å; F213-M260 HydrophobicContact CD1-CB 3.92Å; F213-M260 HydrophobicContact CD2-CB 3.63Å; F213-M260 HydrophobicContact CD2-CG 4.23Å; F213-M260 HydrophobicContact CD2-SD 3.66Å; F213-M260 HydrophobicContact CE1-CB 4.06Å; F213-M260 HydrophobicContact CE2-CB 3.8Å; F213-M260 HydrophobicContact CG-CB 3.7Å; F213-M260 HydrophobicContact CG-CG 4.23Å; F213-M260 HydrophobicContact CG-SD 3.93Å; F213-M260 HydrophobicContact CZ-CB 4.01Å; F213-F261 HydrophobicContact CE1-CD1 4.31Å; F213-F261 HydrophobicContact CE2-CD2 4.25Å; F213-F261 HydrophobicContact CE2-CE2 4.16Å; F213-F261 HydrophobicContact CE2-CZ 4.38Å; F213-F261 HydrophobicContact CZ-CB 4.44Å; F213-F261 AromaticContact CZ-CD1 3.68Å; F213-F261 HydrophobicContact CZ-CD1 3.68Å; F213-F261 AromaticContact CZ-CD2 3.84Å; F213-F261 HydrophobicContact CZ-CD2 3.84Å; F213-F261 AromaticContact CZ-CE1 3.78Å; F213-F261 HydrophobicContact CZ-CE1 3.78Å; F213-F261 AromaticContact CZ-CE2 3.93Å; F213-F261 HydrophobicContact CZ-CE2 3.93Å; F213-F261 AromaticContact CZ-CG 3.71Å; F213-F261 HydrophobicContact CZ-CG 3.71Å; F213-F261 AromaticContact CZ-CZ 3.9Å; F213-F261 HydrophobicContact CZ-CZ 3.9Å; F213-Y278 WeakPolarHBondContact CD2-O 3.33Å
214R93.7Very high94.1Very high93 Ų9347.4 Ų47.435%0.35123%0.23SC..THydrogen-bonded Turntrans-61-18.4177.4177168.6-79.6165.4-11.1114.2R277 Y278 E280R214-R277 WeakPolarHBondContact CD-O 3.44Å; R214-R277 PolarHBondContact NH1-O 3.45Å; R214-Y278 WeakPolarHBondContact CB-O 3.43Å; R214-Y278 PolarHBondContact N-O 3.05Å; R214-E280 HydrophobicContact CB-CG 4.2Å; R214-E280 IonicContact CZ-OE1 2.77Å; R214-E280 IonicContact NE-OE1 3.82Å; R214-E280 PolarHBondContact NE-OE1 2.73Å; R214-E280 IonicContact NH2-OE1 3.73Å; R214-E280 PolarHBondContact NH2-OE1 3.47Å
215K91.3Very high94.3Very high120 Ų12047.7 Ų47.752%0.52223%0.232SC..THydrogen-bonded Turntrans-96.8-9175.8-64.9-63.5-169.8176.80113.3F213 K266F213-K215 HydrophobicContact CD1-CB 3.86Å; F213-K215 HydrophobicContact CE1-CB 3.58Å; F213-K215 HydrophobicContact CE1-CG 4.41Å; F213-K215 HydrophobicContact CG-CB 4.49Å; F213-K215 HydrophobicContact CZ-CB 3.96Å; F213-K215 HydrophobicContact CZ-CG 4.3Å; F213-K215 PolarHBondContact O-N 2.91Å; F213-K215 VanDerWaalsContact O-N 3.1Å; K215-K266 PolarHBondContact O-NZ 3.28Å
216D93.4Very high94.5Very high37 Ų3742.8 Ų42.820%0.19821%0.206CC..EExtended strand (participates in β ladder)trans-160.9100.2175.2-151.4-54.6000111.3F213 N218 L219 K266F213-D216 HydrophobicContact CD1-CB 4.02Å; F213-D216 CarbonylContact O-C 3.43Å; F213-D216 PolarHBondContact O-N 3.37Å; F213-D216 VanDerWaalsContact O-O 3.04Å; D216-N218 PolarHBondContact O-N 3.36Å; D216-N218 WeakPolarHBondContact OD1-CB 3.49Å; D216-N218 PolarHBondContact OD1-N 3.04Å; D216-N218 PolarHBondContact OD1-ND2 2.85Å; D216-L219 HydrophobicContact CB-CD1 4.18Å; D216-L219 HydrophobicContact CB-CG 4.06Å; D216-L219 PolarHBondContact O-N 3.37Å; D216-K266 IonicContact OD2-NZ 3.72Å; D216-K266 PolarHBondContact OD2-NZ 3.43Å
217H94.4Very high94.6Very high90 Ų9043.5 Ų43.542%0.41721%0.209SC..EExtended strand (participates in β ladder)trans-67.3-9.3-173.1-57.7155.7000114.2R212 Q220R212-H217 VanDerWaalsContact CZ-CD2 3.5Å; R212-H217 PolarHBondContact NE-CD2 2.94Å; R212-H217 PolarHBondContact NH2-NE2 2.87Å; H217-Q220 WeakPolarHBondContact O-CG 3.41Å; H217-Q220 PolarHBondContact O-NE2 3.05Å
218N93.8Very high94.7Very high137 Ų13742.7 Ų42.773%0.73321%0.206SC*.EExtended strand (participates in β ladder)trans-77.2-25.2173.6-52.4-65.1000112.1D216 Q220D216-N218 PolarHBondContact O-N 3.36Å; D216-N218 WeakPolarHBondContact OD1-CB 3.49Å; D216-N218 PolarHBondContact OD1-N 3.04Å; D216-N218 PolarHBondContact OD1-ND2 2.85Å; N218-Q220 PolarHBondContact O-N 2.89Å; N218-Q220 VanDerWaalsContact O-N 3.14Å
219L95.5Very high94.3Very high31 Ų3141.5 Ų41.516%0.16220%0.199CC..EExtended strand (participates in β ladder)trans-81.995.7178.4-59.5-171.9000109.2R212 F213 D216 Y242 M260 D263R212-L219 CarbonylContact C-O 3.41Å; R212-L219 WeakPolarHBondContact CA-O 3.19Å; F213-L219 HydrophobicContact CB-CB 3.94Å; F213-L219 HydrophobicContact CD1-CD1 4.04Å; F213-L219 PolarHBondContact N-O 3.24Å; D216-L219 HydrophobicContact CB-CD1 4.18Å; D216-L219 HydrophobicContact CB-CG 4.06Å; D216-L219 PolarHBondContact O-N 3.37Å; L219-Y242 HydrophobicContact CB-CE2 4.08Å; L219-M260 HydrophobicContact CD1-CB 4.4Å; L219-M260 VanDerWaalsContact CD1-O 3.3Å; L219-M260 WeakPolarHBondContact CD1-O 3.46Å; L219-D263 HydrophobicContact CD1-CB 3.99Å; L219-D263 HydrophobicContact CD2-CB 4.31Å
220Q95.8Very high93.5Very high77 Ų7745.9 Ų45.936%0.3623%0.226SC..EExtended strand (participates in β ladder)trans-117.3144.6-173.9-60.8-175.29.400112V211 R212 H217 N218 Y242 P243 V244V211-Q220 CarbonylContact O-C 3.6Å; V211-Q220 WeakPolarHBondContact O-CA 3.33Å; R212-Q220 HydrophobicContact CB-CG 4.01Å; H217-Q220 WeakPolarHBondContact O-CG 3.41Å; H217-Q220 PolarHBondContact O-NE2 3.05Å; N218-Q220 PolarHBondContact O-N 2.89Å; N218-Q220 VanDerWaalsContact O-N 3.14Å; Q220-Y242 WeakPolarHBondContact O-CD2 3.46Å; Q220-P243 WeakPolarHBondContact O-CA 3.35Å; Q220-V244 HydrophobicContact CB-CG1 4.35Å; Q220-V244 PolarHBondContact O-N 2.88Å
221G95.7Very high92Very high1 Ų149.6 Ų49.61%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-140.1-175.9175.400000110.9V211 E241V211-G221 WeakPolarHBondContact CG2-O 3.43Å; V211-G221 PolarHBondContact N-O 3.19Å; V211-G221 PolarHBondContact O-N 3.43Å; V211-G221 VanDerWaalsContact O-O 3.1Å; G221-E241 CarbonylContact C-O 3.54Å; G221-E241 WeakPolarHBondContact CA-O 3.48Å
222R95.6Very high90.6Very high88 Ų8855.4 Ų55.433%0.33229%0.288SS..EExtended strand (participates in β ladder)trans-139.4127.2-175.6179175.7-72.8154.9-2.4110.9P208 F209 L224 I240 E241 V244P208-R222 HydrophobicContact CB-CG 4.03Å; F209-R222 WeakPolarHBondContact O-CA 3.44Å; R222-L224 HydrophobicContact CG-CD2 3.91Å; R222-I240 CarbonylContact O-C 3.56Å; R222-I240 WeakPolarHBondContact O-CA 3.38Å; R222-I240 WeakPolarHBondContact O-CG2 3.39Å; R222-E241 PolarHBondContact N-O 2.93Å; R222-E241 PolarHBondContact O-N 3.42Å; R222-V244 HydrophobicContact CB-CG2 4.25Å
223V96.1Very high89.9Confident0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-75.9125.9172.9-173.80000108.5I207 P208 F209 V211 F226 V238 I240I207-V223 HydrophobicContact CG2-CB 4.38Å; I207-V223 HydrophobicContact CG2-CG1 3.94Å; P208-V223 VanDerWaalsContact CA-O 3.31Å; P208-V223 WeakPolarHBondContact CA-O 3.17Å; F209-V223 HydrophobicContact CD1-CB 4.11Å; F209-V223 HydrophobicContact CD2-CB 4.34Å; F209-V223 HydrophobicContact CD2-CG2 4.08Å; F209-V223 HydrophobicContact CE1-CB 3.77Å; F209-V223 HydrophobicContact CE1-CG1 3.91Å; F209-V223 HydrophobicContact CE1-CG2 4.12Å; F209-V223 HydrophobicContact CE2-CB 4.01Å; F209-V223 HydrophobicContact CE2-CG2 3.49Å; F209-V223 VanDerWaalsContact CE2-CG2 3.49Å; F209-V223 HydrophobicContact CG-CB 4.39Å; F209-V223 HydrophobicContact CZ-CB 3.72Å; F209-V223 HydrophobicContact CZ-CG1 3.99Å; F209-V223 HydrophobicContact CZ-CG2 3.52Å; F209-V223 PolarHBondContact N-O 2.97Å; F209-V223 PolarHBondContact O-N 3.5Å; V211-V223 HydrophobicContact CG1-CG2 3.68Å; V211-V223 HydrophobicContact CG2-CG2 4.18Å; V223-F226 HydrophobicContact CG1-CE1 4.42Å; V223-F226 HydrophobicContact CG1-CE2 3.94Å; V223-F226 HydrophobicContact CG1-CZ 3.84Å; V223-V238 HydrophobicContact CG1-CG1 3.87Å; V223-I240 HydrophobicContact CG2-CD1 4.28Å; V223-I240 HydrophobicContact CG2-CG1 4.14Å
224L95.3Very high89.5Confident55 Ų5563.5 Ų63.529%0.28833%0.326SS..EExtended strand (participates in β ladder)trans-110.8-33.7-174.1-65.8-179.8000113.3L178 I207 P208 R222 F239 E241 I249L178-L224 HydrophobicContact CD2-CB 4.45Å; L178-L224 HydrophobicContact CD2-CD1 4.17Å; I207-L224 WeakPolarHBondContact CD1-O 3.3Å; P208-L224 HydrophobicContact CB-CD2 4.37Å; R222-L224 HydrophobicContact CG-CD2 3.91Å; L224-F239 PolarHBondContact N-O 3.38Å; L224-E241 HydrophobicContact CD1-CB 3.83Å; L224-E241 HydrophobicContact CG-CB 4.33Å; L224-I249 HydrophobicContact CD1-CD1 3.78Å; L224-I249 HydrophobicContact CD1-CG1 4.49Å
225A95.5Very high89.3Confident9 Ų963.3 Ų63.37%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-157.3164.3178.200000113.5L178 V181 F239L178-A225 HydrophobicContact CD1-CB 3.33Å; V181-A225 HydrophobicContact CG1-CB 3.79Å; A225-F239 HydrophobicContact CB-CB 4.21Å; A225-F239 HydrophobicContact CB-CD2 4.13Å; A225-F239 HydrophobicContact CB-CG 4.45Å; A225-F239 PolarHBondContact O-N 3.34Å
226F95.5Very high89.3Confident1 Ų158.4 Ų58.40%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-128.7143.3170.8-66.5-83.2000109.4V181 L200 L203 I207 F209 V223 L236 K237 V238 L297V181-F226 WeakPolarHBondContact CG1-O 3.43Å; L200-F226 HydrophobicContact CD2-CB 4Å; L203-F226 HydrophobicContact CB-CB 4.47Å; L203-F226 HydrophobicContact CB-CD1 4.48Å; L203-F226 HydrophobicContact CB-CD2 3.6Å; L203-F226 HydrophobicContact CB-CE2 3.79Å; L203-F226 HydrophobicContact CB-CG 3.95Å; L203-F226 HydrophobicContact CB-CZ 4.32Å; L203-F226 HydrophobicContact CD1-CD1 3.97Å; L203-F226 HydrophobicContact CD1-CE1 4.17Å; L203-F226 HydrophobicContact CD1-CG 4.16Å; L203-F226 HydrophobicContact CD2-CZ 4.42Å; I207-F226 HydrophobicContact CG2-CD2 4.09Å; I207-F226 HydrophobicContact CG2-CE2 3.67Å; F209-F226 HydrophobicContact CE1-CE2 4.01Å; F209-F226 HydrophobicContact CE1-CZ 4.02Å; F209-F226 HydrophobicContact CZ-CZ 4.11Å; V223-F226 HydrophobicContact CG1-CE1 4.42Å; V223-F226 HydrophobicContact CG1-CE2 3.94Å; V223-F226 HydrophobicContact CG1-CZ 3.84Å; F226-L236 HydrophobicContact CB-CD1 4.23Å; F226-L236 HydrophobicContact CD1-CD1 4.06Å; F226-L236 HydrophobicContact CD1-CD2 4.12Å; F226-L236 HydrophobicContact CD1-CG 4.23Å; F226-L236 HydrophobicContact CE1-CD2 4.35Å; F226-K237 WeakPolarHBondContact CA-O 3.32Å; F226-V238 HydrophobicContact CD1-CB 4.37Å; F226-V238 HydrophobicContact CD1-CG1 4.04Å; F226-V238 HydrophobicContact CD1-CG2 3.92Å; F226-V238 HydrophobicContact CE1-CB 4.36Å; F226-V238 HydrophobicContact CE1-CG1 3.69Å; F226-V238 HydrophobicContact CE1-CG2 3.88Å; F226-V238 HydrophobicContact CZ-CG1 4.4Å; F226-L297 HydrophobicContact CE1-CD1 4.25Å; F226-L297 HydrophobicContact CE1-CD2 4.03Å
227D93.9Very high89.3Confident16 Ų1659 Ų599%0.08631%0.309CS..EExtended strand (participates in β ladder)trans-147.9176.2168.2-167.933.4000110.4V181 W189 R192 K237 F239V181-D227 HydrophobicContact CB-CB 4.4Å; V181-D227 HydrophobicContact CG1-CB 3.92Å; V181-D227 HydrophobicContact CG2-CB 3.55Å; W189-D227 VanDerWaalsContact CD1-OD1 3.31Å; W189-D227 PolarHBondContact NE1-OD1 3.13Å; R192-D227 IonicContact NH2-OD1 3.97Å; R192-D227 PolarHBondContact NH2-OD1 3.37Å; R192-D227 IonicContact NH2-OD2 2.69Å; R192-D227 PolarHBondContact NH2-OD2 3.31Å; D227-K237 PolarHBondContact N-O 3.21Å; D227-K237 PolarHBondContact O-N 3.34Å; D227-F239 HydrophobicContact CB-CE2 4.3Å
228A92.3Very high89.3Confident2 Ų255 Ų552%0.01729%0.291CS..EExtended strand (participates in β ladder)trans-106.1132.5172.600000111.6R192 V196 L200 F234 F304R192-A228 PolarHBondContact NH1-O 2.96Å; R192-A228 PolarHBondContact NH2-O 2.78Å; V196-A228 HydrophobicContact CG1-CB 3.67Å; L200-A228 HydrophobicContact CD1-CB 4.24Å; A228-F234 HydrophobicContact CB-CD1 4.09Å; A228-F304 HydrophobicContact CB-CE1 4.47Å; A228-F304 HydrophobicContact CB-CE2 3.62Å; A228-F304 HydrophobicContact CB-CZ 3.52Å
229S86.7Confident89.4Confident44 Ų4448.5 Ų48.531%0.30826%0.256SS..  trans-67.4168.9163.5-162.70000111.1F234 E235S229-F234 WeakPolarHBondContact O-CD1 3.48Å; S229-E235 PolarHBondContact N-O 2.75Å
230T75.9Confident89.5Confident93 Ų9347 Ų4757%0.57125%0.249SC*.  trans-137.347.2-177.757.90000112.8F234T230-F234 HydrophobicContact CG2-CD1 4.33Å; T230-F234 HydrophobicContact CG2-CE1 4.04Å
231T64.6Low89.5Confident110 Ų11044.5 Ų44.568%0.67524%0.237SC*.SBendtrans-156.4115.5-178.749.40000112.6E233T231-E233 PolarHBondContact N-O 3.28Å
232P66Low89.5Confident122 Ų12244.5 Ų44.579%0.79224%0.237SC*.SBendcis-81.6-27.3-29.331.5-25.3000112
233E80.5Confident89.5Confident137 Ų13743.2 Ų43.264%0.6424%0.24SC*.SBendtrans-83170.5164.3-62.278.9-161.100112.1T231T231-E233 PolarHBondContact N-O 3.28Å
234F87.2Confident89.3Confident71 Ų7146 Ų4631%0.31126%0.257SS..  trans-80.5116.2164.7-64-81000109.5P193 V196 A228 S229 T230 F304P193-F234 VanDerWaalsContact CD-CZ 3.5Å; P193-F234 HydrophobicContact CG-CE2 3.63Å; P193-F234 HydrophobicContact CG-CZ 3.76Å; V196-F234 HydrophobicContact CG2-CB 4.28Å; V196-F234 HydrophobicContact CG2-CD1 4.34Å; V196-F234 HydrophobicContact CG2-CD2 4.06Å; V196-F234 HydrophobicContact CG2-CG 3.98Å; A228-F234 HydrophobicContact CB-CD1 4.09Å; S229-F234 WeakPolarHBondContact O-CD1 3.48Å; T230-F234 HydrophobicContact CG2-CD1 4.33Å; T230-F234 HydrophobicContact CG2-CE1 4.04Å; F234-F304 HydrophobicContact CB-CD2 3.56Å; F234-F304 HydrophobicContact CB-CE2 3.85Å; F234-F304 WeakPolarHBondContact O-CD2 3.5Å
235E89.8Confident89Confident89 Ų8946.5 Ų46.542%0.41628%0.275SS..  trans-114.7140.4168.3-176.9169.9-137.600110.8S229 K237 R302 M303S229-E235 PolarHBondContact N-O 2.75Å; E235-K237 PolarHBondContact O-N 2.96Å; E235-R302 WeakPolarHBondContact CA-O 3.49Å; E235-R302 IonicContact OE1-CZ 3.49Å; E235-R302 IonicContact OE1-NH1 2.85Å; E235-R302 PolarHBondContact OE1-NH1 3.17Å; E235-M303 HydrophobicContact CG-CE 4.27Å; E235-M303 WeakPolarHBondContact OE1-CE 3.38Å
236L92.5Very high88.8Confident16 Ų1648.5 Ų48.58%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-68.1115.8179.5-175.873.6000112.4L200 L203 F226 V238 L297 V301 R302 F304L200-L236 HydrophobicContact CD2-CD1 3.74Å; L203-L236 HydrophobicContact CD1-CD1 3.86Å; L203-L236 HydrophobicContact CD1-CD2 3.76Å; L203-L236 HydrophobicContact CD1-CG 4.49Å; F226-L236 HydrophobicContact CB-CD1 4.23Å; F226-L236 HydrophobicContact CD1-CD1 4.06Å; F226-L236 HydrophobicContact CD1-CD2 4.12Å; F226-L236 HydrophobicContact CD1-CG 4.23Å; F226-L236 HydrophobicContact CE1-CD2 4.35Å; L236-V238 HydrophobicContact CD2-CG2 4.38Å; L236-V238 HydrophobicContact CG-CG2 4.31Å; L236-L297 HydrophobicContact CD2-CD2 3.65Å; L236-V301 HydrophobicContact CD2-CG1 4.41Å; L236-R302 HydrophobicContact CB-CB 4.47Å; L236-R302 PolarHBondContact N-O 3.49Å; L236-F304 HydrophobicContact CB-CE2 4.29Å; L236-F304 HydrophobicContact CB-CZ 3.9Å; L236-F304 HydrophobicContact CD1-CE1 3.93Å; L236-F304 HydrophobicContact CD1-CZ 3.73Å; L236-F304 HydrophobicContact CG-CZ 4.45Å
237K93.1Very high88.4Confident49 Ų4950 Ų5021%0.21330%0.304CS..EExtended strand (participates in β ladder)trans-91.1136.8172.5-165.4168.9179.3171.20109.7E177 F226 D227 E235 F239 S251E177-K237 IonicContact OE1-NZ 3.16Å; E177-K237 PolarHBondContact OE1-NZ 2.94Å; E177-K237 VanDerWaalsContact OE2-CE 3.31Å; E177-K237 WeakPolarHBondContact OE2-CE 3.49Å; E177-K237 IonicContact OE2-NZ 3.29Å; E177-K237 PolarHBondContact OE2-NZ 2.98Å; F226-K237 WeakPolarHBondContact CA-O 3.32Å; D227-K237 PolarHBondContact N-O 3.21Å; D227-K237 PolarHBondContact O-N 3.34Å; E235-K237 PolarHBondContact O-N 2.96Å; K237-F239 HydrophobicContact CB-CE2 4.41Å; K237-F239 HydrophobicContact CD-CE2 4.11Å; K237-F239 HydrophobicContact CD-CZ 3.84Å; K237-F239 HydrophobicContact CG-CE2 3.89Å; K237-F239 HydrophobicContact CG-CZ 4.04Å; K237-S251 WeakPolarHBondContact CG-O 3.38Å
238V94.8Very high88.3Confident6 Ų652.7 Ų52.74%0.03632%0.318CS..EExtended strand (participates in β ladder)trans-128.5125-174.1-168.20000109.4V223 F226 L236 I240 S251 G252 I253 L297V223-V238 HydrophobicContact CG1-CG1 3.87Å; F226-V238 HydrophobicContact CD1-CB 4.37Å; F226-V238 HydrophobicContact CD1-CG1 4.04Å; F226-V238 HydrophobicContact CD1-CG2 3.92Å; F226-V238 HydrophobicContact CE1-CB 4.36Å; F226-V238 HydrophobicContact CE1-CG1 3.69Å; F226-V238 HydrophobicContact CE1-CG2 3.88Å; F226-V238 HydrophobicContact CZ-CG1 4.4Å; L236-V238 HydrophobicContact CD2-CG2 4.38Å; L236-V238 HydrophobicContact CG-CG2 4.31Å; V238-I240 HydrophobicContact CG1-CD1 3.91Å; V238-I240 HydrophobicContact CG1-CG1 3.81Å; V238-S251 CarbonylContact O-C 3.58Å; V238-S251 WeakPolarHBondContact O-CA 3.4Å; V238-G252 PolarHBondContact O-N 3Å; V238-I253 HydrophobicContact CG2-CD1 4.19Å; V238-L297 HydrophobicContact CG2-CD1 4.02Å
239F96Very high88.4Confident1 Ų153.1 Ų53.10%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-102.4117.6-178.6-64-96.6000109.8V174 E177 L178 V181 L224 A225 D227 K237 I249 Y250V174-F239 HydrophobicContact CG1-CD1 3.98Å; V174-F239 HydrophobicContact CG1-CE1 4.18Å; E177-F239 HydrophobicContact CB-CE1 3.81Å; E177-F239 HydrophobicContact CB-CZ 4.12Å; L178-F239 HydrophobicContact CB-CD1 4.32Å; L178-F239 HydrophobicContact CD1-CB 4.09Å; L178-F239 HydrophobicContact CD1-CG 4.2Å; V181-F239 HydrophobicContact CG2-CE2 3.79Å; V181-F239 HydrophobicContact CG2-CZ 3.95Å; L224-F239 PolarHBondContact N-O 3.38Å; A225-F239 HydrophobicContact CB-CB 4.21Å; A225-F239 HydrophobicContact CB-CD2 4.13Å; A225-F239 HydrophobicContact CB-CG 4.45Å; A225-F239 PolarHBondContact O-N 3.34Å; D227-F239 HydrophobicContact CB-CE2 4.3Å; K237-F239 HydrophobicContact CB-CE2 4.41Å; K237-F239 HydrophobicContact CD-CE2 4.11Å; K237-F239 HydrophobicContact CD-CZ 3.84Å; K237-F239 HydrophobicContact CG-CE2 3.89Å; K237-F239 HydrophobicContact CG-CZ 4.04Å; F239-I249 HydrophobicContact CB-CG2 4.18Å; F239-I249 HydrophobicContact CD1-CG2 4.37Å; F239-Y250 WeakPolarHBondContact CA-O 3.23Å
240I96.1Very high88.8Confident1 Ų152.9 Ų52.91%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-128.9119.8-172.2-48.2-177.8000109.8V211 R222 V223 V238 I249 Y250 I253 L256V211-I240 HydrophobicContact CG2-CG2 3.72Å; R222-I240 CarbonylContact O-C 3.56Å; R222-I240 WeakPolarHBondContact O-CA 3.38Å; R222-I240 WeakPolarHBondContact O-CG2 3.39Å; V223-I240 HydrophobicContact CG2-CD1 4.28Å; V223-I240 HydrophobicContact CG2-CG1 4.14Å; V238-I240 HydrophobicContact CG1-CD1 3.91Å; V238-I240 HydrophobicContact CG1-CG1 3.81Å; I240-I249 WeakPolarHBondContact O-CA 3.42Å; I240-Y250 PolarHBondContact N-O 3.08Å; I240-Y250 PolarHBondContact O-N 3.33Å; I240-I253 HydrophobicContact CD1-CG1 4.1Å; I240-L256 HydrophobicContact CB-CD2 4.14Å; I240-L256 HydrophobicContact CD1-CD2 3.57Å; I240-L256 HydrophobicContact CG1-CD2 4.42Å; I240-L256 HydrophobicContact CG2-CD2 3.83Å
241E96.4Very high89.5Confident23 Ų2350.3 Ų50.311%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-72.2129.2167.9-176-169.6-149.100109.5G221 R222 L224 G245 S246 G247 I248G221-E241 CarbonylContact C-O 3.54Å; G221-E241 WeakPolarHBondContact CA-O 3.48Å; R222-E241 PolarHBondContact N-O 2.93Å; R222-E241 PolarHBondContact O-N 3.42Å; L224-E241 HydrophobicContact CD1-CB 3.83Å; L224-E241 HydrophobicContact CG-CB 4.33Å; E241-G245 VanDerWaalsContact OE1-C 3.26Å; E241-G245 WeakPolarHBondContact OE1-CA 3.21Å; E241-G245 PolarHBondContact OE1-N 3.38Å; E241-G245 VanDerWaalsContact OE1-N 3.08Å; E241-G245 PolarHBondContact OE2-N 2.83Å; E241-S246 PolarHBondContact OE1-N 3.32Å; E241-S246 VanDerWaalsContact OE1-N 3.13Å; E241-G247 PolarHBondContact OE1-N 2.99Å; E241-I248 CarbonylContact C-O 3.55Å; E241-I248 WeakPolarHBondContact CA-O 3.42Å
242Y95.5Very high90.7Very high1 Ų145.9 Ų45.90%0.00428%0.275CS..SBendtrans-155.2132.4176.8172.3-88.7000112.5L219 Q220 S246 I248 Y250 L256 Q259 M260 D263L219-Y242 HydrophobicContact CB-CE2 4.08Å; Q220-Y242 WeakPolarHBondContact O-CD2 3.46Å; Y242-S246 PolarHBondContact O-OG 3.5Å; Y242-I248 PolarHBondContact N-O 2.81Å; Y242-Y250 AromaticContact CD1-CE2 3.95Å; Y242-Y250 HydrophobicContact CD1-CE2 3.95Å; Y242-Y250 WeakPolarHBondContact O-CE2 3.33Å; Y242-L256 HydrophobicContact CD1-CD1 3.83Å; Y242-L256 HydrophobicContact CD2-CD1 3.91Å; Y242-L256 HydrophobicContact CG-CD1 3.38Å; Y242-Q259 HydrophobicContact CD1-CB 4.41Å; Y242-Q259 HydrophobicContact CD1-CG 3.92Å; Y242-Q259 HydrophobicContact CE1-CB 4.2Å; Y242-Q259 HydrophobicContact CE1-CG 3.5Å; Y242-M260 HydrophobicContact CD2-CE 3.67Å; Y242-M260 HydrophobicContact CD2-CG 4.33Å; Y242-M260 HydrophobicContact CE1-CG 4.36Å; Y242-M260 HydrophobicContact CE2-CE 3.66Å; Y242-M260 HydrophobicContact CE2-CG 3.78Å; Y242-D263 WeakPolarHBondContact CE1-OD2 3.4Å; Y242-D263 VanDerWaalsContact CZ-OD2 3.31Å; Y242-D263 PolarHBondContact OH-OD2 3.4Å
243P94.9Very high91.9Very high62 Ų6240.7 Ų40.740%0.40324%0.24SC..SBendcis-58.6158.4-12.7-24.135.5000112.2Q220 G245 S246Q220-P243 WeakPolarHBondContact O-CA 3.35Å; P243-G245 PolarHBondContact O-N 3.31Å; P243-S246 WeakPolarHBondContact O-CB 3.24Å; P243-S246 PolarHBondContact O-N 2.86Å; P243-S246 PolarHBondContact O-OG 2.95Å
244V92.2Very high92.4Very high58 Ų5836.4 Ų36.435%0.35222%0.224SC..THydrogen-bonded Turntrans-56.9131.4177.861.60000111.3Q220 R222 S246Q220-V244 HydrophobicContact CB-CG1 4.35Å; Q220-V244 PolarHBondContact O-N 2.88Å; R222-V244 HydrophobicContact CB-CG2 4.25Å; V244-S246 VanDerWaalsContact C-N 3.35Å
245G89.2Confident92.6Very high65 Ų6536.2 Ų36.267%0.6723%0.226SC*.THydrogen-bonded Turntrans77.67.9-174.500000116.1E241 P243E241-G245 VanDerWaalsContact OE1-C 3.26Å; E241-G245 WeakPolarHBondContact OE1-CA 3.21Å; E241-G245 PolarHBondContact OE1-N 3.38Å; E241-G245 VanDerWaalsContact OE1-N 3.08Å; E241-G245 PolarHBondContact OE2-N 2.83Å; P243-G245 PolarHBondContact O-N 3.31Å
246S90.8Very high92.7Very high52 Ų5232 Ų3236%0.36421%0.206SC..SBendtrans-83.5-19.8177.366.50000114.6E241 Y242 P243 V244 I248E241-S246 PolarHBondContact OE1-N 3.32Å; E241-S246 VanDerWaalsContact OE1-N 3.13Å; Y242-S246 PolarHBondContact O-OG 3.5Å; P243-S246 WeakPolarHBondContact O-CB 3.24Å; P243-S246 PolarHBondContact O-N 2.86Å; P243-S246 PolarHBondContact O-OG 2.95Å; V244-S246 VanDerWaalsContact C-N 3.35Å; S246-I248 PolarHBondContact O-N 3.1Å; S246-I248 PolarHBondContact OG-N 3.24Å; S246-I248 VanDerWaalsContact OG-N 3.1Å
247G88.5Confident92.8Very high32 Ų3231.2 Ų31.233%0.3320%0.202SC..  trans69.6-2.8-166.600000115.3N171 E241N171-G247 PolarHBondContact ND2-O 3.05Å; N171-G247 VanDerWaalsContact ND2-O 3.08Å; E241-G247 PolarHBondContact OE1-N 2.99Å
248I92.2Very high92.7Very high73 Ų7334.1 Ų34.137%0.37421%0.212SC..  trans-82.5119.7176.6-55.6177.6000108.4E241 Y242 S246 Y250E241-I248 CarbonylContact C-O 3.55Å; E241-I248 WeakPolarHBondContact CA-O 3.42Å; Y242-I248 PolarHBondContact N-O 2.81Å; S246-I248 PolarHBondContact O-N 3.1Å; S246-I248 PolarHBondContact OG-N 3.24Å; S246-I248 VanDerWaalsContact OG-N 3.1Å; I248-Y250 HydrophobicContact CG2-CD2 4.48Å; I248-Y250 HydrophobicContact CG2-CE2 3.69Å
249I94.4Very high92.6Very high11 Ų1135.6 Ų35.66%0.05622%0.218CC..EExtended strand (participates in β ladder)trans-115131.6-174.3-52.8-169.8000110.9N171 V174 M175 L178 L224 F239 I240N171-I249 PolarHBondContact ND2-N 3.32Å; N171-I249 VanDerWaalsContact ND2-N 3.14Å; V174-I249 HydrophobicContact CG1-CB 3.94Å; V174-I249 HydrophobicContact CG1-CG2 3.7Å; M175-I249 HydrophobicContact CG-CD1 4.46Å; M175-I249 HydrophobicContact SD-CD1 3.38Å; M175-I249 WeakPolarHBondContact SD-CD1 3.35Å; M175-I249 HydrophobicContact SD-CG1 4.1Å; L178-I249 HydrophobicContact CD2-CD1 3.35Å; L224-I249 HydrophobicContact CD1-CD1 3.78Å; L224-I249 HydrophobicContact CD1-CG1 4.49Å; F239-I249 HydrophobicContact CB-CG2 4.18Å; F239-I249 HydrophobicContact CD1-CG2 4.37Å; I240-I249 WeakPolarHBondContact O-CA 3.42Å
250Y93.9Very high92.4Very high38 Ų3835.5 Ų35.515%0.14922%0.218CC..EExtended strand (participates in β ladder)trans-105123.9174.6-65-97.8000108.8F239 I240 Y242 I248 G252 D255 L256 Q259F239-Y250 WeakPolarHBondContact CA-O 3.23Å; I240-Y250 PolarHBondContact N-O 3.08Å; I240-Y250 PolarHBondContact O-N 3.33Å; Y242-Y250 AromaticContact CD1-CE2 3.95Å; Y242-Y250 HydrophobicContact CD1-CE2 3.95Å; Y242-Y250 WeakPolarHBondContact O-CE2 3.33Å; I248-Y250 HydrophobicContact CG2-CD2 4.48Å; I248-Y250 HydrophobicContact CG2-CE2 3.69Å; Y250-G252 VanDerWaalsContact C-N 3.27Å; Y250-G252 PolarHBondContact O-N 2.76Å; Y250-D255 HydrophobicContact CD1-CB 4.11Å; Y250-L256 HydrophobicContact CD2-CD1 4.27Å; Y250-L256 HydrophobicContact CG-CB 4.3Å; Y250-L256 HydrophobicContact CG-CD1 4.46Å; Y250-Q259 HydrophobicContact CE1-CB 3.95Å; Y250-Q259 HydrophobicContact CE1-CG 4.39Å; Y250-Q259 VanDerWaalsContact OH-CD 3.32Å; Y250-Q259 VanDerWaalsContact OH-CG 3.28Å; Y250-Q259 WeakPolarHBondContact OH-CG 3.44Å; Y250-Q259 PolarHBondContact OH-OE1 2.97Å
251S91.6Very high92.2Very high39 Ų3936 Ų3627%0.27322%0.221SC..SBendtrans-87.814.3-179.951.30000114K237 V238K237-S251 WeakPolarHBondContact CG-O 3.38Å; V238-S251 CarbonylContact O-C 3.58Å; V238-S251 WeakPolarHBondContact O-CA 3.4Å
252G88.9Confident92Very high18 Ų1843.1 Ų43.119%0.18625%0.246CC..SBendtrans-167.5142.8-179.800000113.6V238 Y250 D255 L256V238-G252 PolarHBondContact O-N 3Å; Y250-G252 VanDerWaalsContact C-N 3.27Å; Y250-G252 PolarHBondContact O-N 2.76Å; G252-D255 PolarHBondContact O-N 3.14Å; G252-L256 PolarHBondContact O-N 3.47Å
253I91.8Very high91.8Very high13 Ų1346.4 Ų46.47%0.06726%0.264CS..Hα-helixtrans-65.7-37.7-176.6-63.4164.1000113.2V238 I240 D255 L256 V257 L276 V279 L293 L297V238-I253 HydrophobicContact CG2-CD1 4.19Å; I240-I253 HydrophobicContact CD1-CG1 4.1Å; I253-D255 VanDerWaalsContact C-N 3.31Å; I253-D255 PolarHBondContact O-N 2.93Å; I253-L256 PolarHBondContact O-N 3.38Å; I253-V257 HydrophobicContact CG2-CG2 4.14Å; I253-V257 WeakPolarHBondContact O-CB 3.44Å; I253-V257 VanDerWaalsContact O-CG2 3.32Å; I253-V257 WeakPolarHBondContact O-CG2 3.45Å; I253-V257 PolarHBondContact O-N 2.89Å; I253-L276 HydrophobicContact CD1-CD2 3.61Å; I253-L276 HydrophobicContact CD1-CG 4.2Å; I253-L276 HydrophobicContact CG2-CG 4.45Å; I253-V279 HydrophobicContact CG2-CG2 4.12Å; I253-L293 HydrophobicContact CD1-CD2 3.7Å; I253-L293 HydrophobicContact CG1-CD2 4.27Å; I253-L297 HydrophobicContact CD1-CD1 3.87Å
254P90.6Very high91.6Very high46 Ų4644 Ų4430%0.29925%0.249SC..Hα-helixtrans-62.1-34.1176-25.936.6000114R258P254-R258 WeakPolarHBondContact O-CB 3.39Å; P254-R258 WeakPolarHBondContact O-CG 3.35Å; P254-R258 PolarHBondContact O-N 3.01Å; P254-R258 PolarHBondContact O-NE 3.18Å
255D90.7Very high91.3Very high67 Ų6745.9 Ų45.936%0.35827%0.27SS..Hα-helixtrans-73.2-45.1176.5-79-87.9000111.9Y250 G252 I253 V257 R258 Q259Y250-D255 HydrophobicContact CD1-CB 4.11Å; G252-D255 PolarHBondContact O-N 3.14Å; I253-D255 VanDerWaalsContact C-N 3.31Å; I253-D255 PolarHBondContact O-N 2.93Å; D255-V257 VanDerWaalsContact C-N 3.33Å; D255-V257 PolarHBondContact O-N 3.14Å; D255-R258 VanDerWaalsContact CG-NH1 3.34Å; D255-R258 PolarHBondContact O-N 3.29Å; D255-R258 IonicContact OD1-CZ 2.71Å; D255-R258 VanDerWaalsContact OD1-CZ 3.32Å; D255-R258 IonicContact OD1-NH1 3.31Å; D255-R258 PolarHBondContact OD1-NH1 3.08Å; D255-R258 IonicContact OD1-NH2 2.65Å; D255-R258 PolarHBondContact OD1-NH2 2.7Å; D255-R258 VanDerWaalsContact OD1-NH2 3.12Å; D255-R258 IonicContact OD2-CZ 2.68Å; D255-R258 IonicContact OD2-NH1 3.05Å; D255-R258 IonicContact OD2-NH2 2.72Å; D255-R258 PolarHBondContact OD2-NH2 2.87Å; D255-Q259 PolarHBondContact O-N 3.02Å
256L93.2Very high90.8Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-55.1-48.5172173.564.5000111.5I240 Y242 Y250 G252 I253 R258 Q259 M260I240-L256 HydrophobicContact CB-CD2 4.14Å; I240-L256 HydrophobicContact CD1-CD2 3.57Å; I240-L256 HydrophobicContact CG1-CD2 4.42Å; I240-L256 HydrophobicContact CG2-CD2 3.83Å; Y242-L256 HydrophobicContact CD1-CD1 3.83Å; Y242-L256 HydrophobicContact CD2-CD1 3.91Å; Y242-L256 HydrophobicContact CG-CD1 3.38Å; Y250-L256 HydrophobicContact CD2-CD1 4.27Å; Y250-L256 HydrophobicContact CG-CB 4.3Å; Y250-L256 HydrophobicContact CG-CD1 4.46Å; G252-L256 PolarHBondContact O-N 3.47Å; I253-L256 PolarHBondContact O-N 3.38Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 3.5Å; L256-Q259 WeakPolarHBondContact O-CA 3.41Å; L256-Q259 WeakPolarHBondContact O-CB 3.28Å; L256-Q259 PolarHBondContact O-N 3.41Å; L256-M260 HydrophobicContact CD1-CE 4.12Å; L256-M260 HydrophobicContact CD1-CG 4.26Å; L256-M260 HydrophobicContact CD1-SD 4.21Å; L256-M260 HydrophobicContact CD2-CE 4.45Å; L256-M260 HydrophobicContact CD2-SD 4.46Å; L256-M260 HydrophobicContact CG-CE 4.33Å; L256-M260 HydrophobicContact CG-CG 4.47Å; L256-M260 HydrophobicContact CG-SD 3.99Å; L256-M260 WeakPolarHBondContact O-CG 3.47Å; L256-M260 PolarHBondContact O-N 2.95Å
257V93.4Very high89.9Confident0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-66.7-36.4-179.1170.10000111.4F213 I253 D255 Q259 M260 F261 V272 Y278 V279F213-V257 HydrophobicContact CE2-CG1 4.37Å; I253-V257 HydrophobicContact CG2-CG2 4.14Å; I253-V257 WeakPolarHBondContact O-CB 3.44Å; I253-V257 VanDerWaalsContact O-CG2 3.32Å; I253-V257 WeakPolarHBondContact O-CG2 3.45Å; I253-V257 PolarHBondContact O-N 2.89Å; D255-V257 VanDerWaalsContact C-N 3.33Å; D255-V257 PolarHBondContact O-N 3.14Å; V257-Q259 VanDerWaalsContact C-N 3.28Å; V257-Q259 PolarHBondContact O-N 2.94Å; V257-M260 PolarHBondContact O-N 3.44Å; V257-F261 HydrophobicContact CG1-CD2 3.69Å; V257-F261 HydrophobicContact CG1-CE2 3.62Å; V257-F261 VanDerWaalsContact O-CD2 3.3Å; V257-F261 WeakPolarHBondContact O-CD2 3.44Å; V257-F261 PolarHBondContact O-N 2.76Å; V257-V272 HydrophobicContact CB-CG1 4.17Å; V257-V272 HydrophobicContact CG1-CG1 3.58Å; V257-Y278 HydrophobicContact CG1-CD2 3.76Å; V257-Y278 HydrophobicContact CG1-CE2 4.48Å; V257-Y278 HydrophobicContact CG1-CG 4.31Å; V257-V279 HydrophobicContact CG2-CG2 3.46Å; V257-V279 VanDerWaalsContact CG2-CG2 3.46Å
258R91.2Very high88.9Confident111 Ų11152 Ų5242%0.41928%0.276SS..Hα-helixtrans-63.8-30.5170.6-82.4-174.9-85.4104.6-3.7112.7P254 D255 L256 R262 V272P254-R258 WeakPolarHBondContact O-CB 3.39Å; P254-R258 WeakPolarHBondContact O-CG 3.35Å; P254-R258 PolarHBondContact O-N 3.01Å; P254-R258 PolarHBondContact O-NE 3.18Å; D255-R258 VanDerWaalsContact CG-NH1 3.34Å; D255-R258 PolarHBondContact O-N 3.29Å; D255-R258 IonicContact OD1-CZ 2.71Å; D255-R258 VanDerWaalsContact OD1-CZ 3.32Å; D255-R258 IonicContact OD1-NH1 3.31Å; D255-R258 PolarHBondContact OD1-NH1 3.08Å; D255-R258 IonicContact OD1-NH2 2.65Å; D255-R258 PolarHBondContact OD1-NH2 2.7Å; D255-R258 VanDerWaalsContact OD1-NH2 3.12Å; D255-R258 IonicContact OD2-CZ 2.68Å; D255-R258 IonicContact OD2-NH1 3.05Å; D255-R258 IonicContact OD2-NH2 2.72Å; D255-R258 PolarHBondContact OD2-NH2 2.87Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 3.5Å; R258-R262 WeakPolarHBondContact O-CG 3.31Å; R258-V272 HydrophobicContact CG-CG1 4.48Å
259Q92.1Very high87.6Confident36 Ų3651.6 Ų51.617%0.16829%0.289CS..Hα-helixtrans-69.7-55169.3-170.470.246.600111.2Y242 Y250 D255 L256 V257 F261 R262 D263Y242-Q259 HydrophobicContact CD1-CB 4.41Å; Y242-Q259 HydrophobicContact CD1-CG 3.92Å; Y242-Q259 HydrophobicContact CE1-CB 4.2Å; Y242-Q259 HydrophobicContact CE1-CG 3.5Å; Y250-Q259 HydrophobicContact CE1-CB 3.95Å; Y250-Q259 HydrophobicContact CE1-CG 4.39Å; Y250-Q259 VanDerWaalsContact OH-CD 3.32Å; Y250-Q259 VanDerWaalsContact OH-CG 3.28Å; Y250-Q259 WeakPolarHBondContact OH-CG 3.44Å; Y250-Q259 PolarHBondContact OH-OE1 2.97Å; D255-Q259 PolarHBondContact O-N 3.02Å; L256-Q259 WeakPolarHBondContact O-CA 3.41Å; L256-Q259 WeakPolarHBondContact O-CB 3.28Å; L256-Q259 PolarHBondContact O-N 3.41Å; V257-Q259 VanDerWaalsContact C-N 3.28Å; V257-Q259 PolarHBondContact O-N 2.94Å; Q259-F261 VanDerWaalsContact C-N 3.26Å; Q259-F261 PolarHBondContact O-N 2.68Å; Q259-R262 WeakPolarHBondContact O-CA 3.4Å; Q259-R262 WeakPolarHBondContact O-CB 3.49Å; Q259-R262 PolarHBondContact O-N 2.72Å; Q259-D263 PolarHBondContact NE2-OD1 2.99Å; Q259-D263 PolarHBondContact O-N 3.12Å
260M93.4Very high86.1Confident0 Ų061.7 Ų61.70%033%0.333CS..Hα-helixtrans-55.6-37.7-176.9-71.4174.6149.300113.1F213 L219 Y242 L256 V257 S264F213-M260 HydrophobicContact CB-CB 4.21Å; F213-M260 HydrophobicContact CB-CE 4.04Å; F213-M260 HydrophobicContact CB-CG 4.23Å; F213-M260 HydrophobicContact CB-SD 3.68Å; F213-M260 HydrophobicContact CD1-CB 3.92Å; F213-M260 HydrophobicContact CD2-CB 3.63Å; F213-M260 HydrophobicContact CD2-CG 4.23Å; F213-M260 HydrophobicContact CD2-SD 3.66Å; F213-M260 HydrophobicContact CE1-CB 4.06Å; F213-M260 HydrophobicContact CE2-CB 3.8Å; F213-M260 HydrophobicContact CG-CB 3.7Å; F213-M260 HydrophobicContact CG-CG 4.23Å; F213-M260 HydrophobicContact CG-SD 3.93Å; F213-M260 HydrophobicContact CZ-CB 4.01Å; L219-M260 HydrophobicContact CD1-CB 4.4Å; L219-M260 VanDerWaalsContact CD1-O 3.3Å; L219-M260 WeakPolarHBondContact CD1-O 3.46Å; Y242-M260 HydrophobicContact CD2-CE 3.67Å; Y242-M260 HydrophobicContact CD2-CG 4.33Å; Y242-M260 HydrophobicContact CE1-CG 4.36Å; Y242-M260 HydrophobicContact CE2-CE 3.66Å; Y242-M260 HydrophobicContact CE2-CG 3.78Å; L256-M260 HydrophobicContact CD1-CE 4.12Å; L256-M260 HydrophobicContact CD1-CG 4.26Å; L256-M260 HydrophobicContact CD1-SD 4.21Å; L256-M260 HydrophobicContact CD2-CE 4.45Å; L256-M260 HydrophobicContact CD2-SD 4.46Å; L256-M260 HydrophobicContact CG-CE 4.33Å; L256-M260 HydrophobicContact CG-CG 4.47Å; L256-M260 HydrophobicContact CG-SD 3.99Å; L256-M260 WeakPolarHBondContact O-CG 3.47Å; L256-M260 PolarHBondContact O-N 2.95Å; V257-M260 PolarHBondContact O-N 3.44Å; M260-S264 WeakPolarHBondContact O-CB 3.38Å; M260-S264 PolarHBondContact O-N 3.36Å; M260-S264 PolarHBondContact O-OG 2.78Å; M260-S264 VanDerWaalsContact O-OG 3.12Å
261F92.3Very high84.2Confident12 Ų1262 Ų625%0.05334%0.343CS..Hα-helixtrans-61.3-47.2172.8-88.6-66.9000112.7F213 V257 Q259 D263 S264 A265 K266 A268 Y278F213-F261 HydrophobicContact CE1-CD1 4.31Å; F213-F261 HydrophobicContact CE2-CD2 4.25Å; F213-F261 HydrophobicContact CE2-CE2 4.16Å; F213-F261 HydrophobicContact CE2-CZ 4.38Å; F213-F261 HydrophobicContact CZ-CB 4.44Å; F213-F261 AromaticContact CZ-CD1 3.68Å; F213-F261 HydrophobicContact CZ-CD1 3.68Å; F213-F261 AromaticContact CZ-CD2 3.84Å; F213-F261 HydrophobicContact CZ-CD2 3.84Å; F213-F261 AromaticContact CZ-CE1 3.78Å; F213-F261 HydrophobicContact CZ-CE1 3.78Å; F213-F261 AromaticContact CZ-CE2 3.93Å; F213-F261 HydrophobicContact CZ-CE2 3.93Å; F213-F261 AromaticContact CZ-CG 3.71Å; F213-F261 HydrophobicContact CZ-CG 3.71Å; F213-F261 AromaticContact CZ-CZ 3.9Å; F213-F261 HydrophobicContact CZ-CZ 3.9Å; V257-F261 HydrophobicContact CG1-CD2 3.69Å; V257-F261 HydrophobicContact CG1-CE2 3.62Å; V257-F261 VanDerWaalsContact O-CD2 3.3Å; V257-F261 WeakPolarHBondContact O-CD2 3.44Å; V257-F261 PolarHBondContact O-N 2.76Å; Q259-F261 VanDerWaalsContact C-N 3.26Å; Q259-F261 PolarHBondContact O-N 2.68Å; F261-D263 PolarHBondContact O-N 3.39Å; F261-S264 PolarHBondContact O-N 2.77Å; F261-S264 PolarHBondContact O-OG 2.9Å; F261-A265 PolarHBondContact O-N 2.83Å; F261-K266 WeakPolarHBondContact CD1-O 3.49Å; F261-K266 PolarHBondContact O-N 3.23Å; F261-A268 HydrophobicContact CB-CB 3.94Å; F261-A268 HydrophobicContact CD1-CB 4.05Å; F261-A268 HydrophobicContact CD2-CB 3.66Å; F261-A268 HydrophobicContact CE1-CB 4.48Å; F261-A268 HydrophobicContact CE2-CB 4.15Å; F261-A268 HydrophobicContact CG-CB 3.62Å; F261-Y278 HydrophobicContact CE2-CD1 4.32Å; F261-Y278 HydrophobicContact CE2-CD2 4.09Å; F261-Y278 HydrophobicContact CE2-CE1 4.32Å; F261-Y278 HydrophobicContact CE2-CE2 4.06Å; F261-Y278 HydrophobicContact CE2-CG 4.2Å; F261-Y278 AromaticContact CZ-CD1 3.94Å; F261-Y278 HydrophobicContact CZ-CD1 3.94Å; F261-Y278 HydrophobicContact CZ-CD2 4.48Å; F261-Y278 AromaticContact CZ-CE1 3.79Å; F261-Y278 HydrophobicContact CZ-CE1 3.79Å; F261-Y278 HydrophobicContact CZ-CE2 4.32Å; F261-Y278 HydrophobicContact CZ-CG 4.28Å; F261-Y278 AromaticContact CZ-CZ 3.95Å
262R90.8Very high82.7Confident171 Ų17161.4 Ų61.465%0.64534%0.338SS*.Hα-helixtrans-58.7-49177.3-69.7-173.1-67.4-170.50.8111.4R258 Q259 S264 A265R258-R262 WeakPolarHBondContact O-CG 3.31Å; Q259-R262 WeakPolarHBondContact O-CA 3.4Å; Q259-R262 WeakPolarHBondContact O-CB 3.49Å; Q259-R262 PolarHBondContact O-N 2.72Å; R262-S264 VanDerWaalsContact C-N 3.3Å; R262-S264 PolarHBondContact O-N 2.72Å; R262-A265 PolarHBondContact O-N 3.46Å
263D92Very high81.2Confident71 Ų7168.7 Ų68.738%0.3837%0.372SS..Hα-helixtrans-67.7-31.9-176.7-57.4-5000112.1L219 Y242 Q259 F261 A265L219-D263 HydrophobicContact CD1-CB 3.99Å; L219-D263 HydrophobicContact CD2-CB 4.31Å; Y242-D263 WeakPolarHBondContact CE1-OD2 3.4Å; Y242-D263 VanDerWaalsContact CZ-OD2 3.31Å; Y242-D263 PolarHBondContact OH-OD2 3.4Å; Q259-D263 PolarHBondContact NE2-OD1 2.99Å; Q259-D263 PolarHBondContact O-N 3.12Å; F261-D263 PolarHBondContact O-N 3.39Å; D263-A265 PolarHBondContact O-N 2.78Å
264S90.9Very high80.2Confident11 Ų1171 Ų718%0.07739%0.39CS..THydrogen-bonded Turntrans-76.8-4.4177.274.40000114.7M260 F261 R262 K266M260-S264 WeakPolarHBondContact O-CB 3.38Å; M260-S264 PolarHBondContact O-N 3.36Å; M260-S264 PolarHBondContact O-OG 2.78Å; M260-S264 VanDerWaalsContact O-OG 3.12Å; F261-S264 PolarHBondContact O-N 2.77Å; F261-S264 PolarHBondContact O-OG 2.9Å; R262-S264 VanDerWaalsContact C-N 3.3Å; R262-S264 PolarHBondContact O-N 2.72Å; S264-K266 WeakPolarHBondContact O-CG 3.42Å; S264-K266 PolarHBondContact O-N 3.15Å; S264-K266 WeakPolarHBondContact OG-CB 3.42Å; S264-K266 PolarHBondContact OG-N 2.99Å
265A86Confident79.8Confident97 Ų9768.8 Ų68.880%0.80238%0.376SS*.THydrogen-bonded Turntrans51.531.3-171.900000114.5F261 R262 D263F261-A265 PolarHBondContact O-N 2.83Å; R262-A265 PolarHBondContact O-N 3.46Å; D263-A265 PolarHBondContact O-N 2.78Å
266K78.1Confident79.7Confident89 Ų8966.1 Ų66.139%0.38736%0.361SS..  trans-116.7138.7-179.2-67.1152.5-168.11640110K215 D216 F261 S264 A268K215-K266 PolarHBondContact O-NZ 3.28Å; D216-K266 IonicContact OD2-NZ 3.72Å; D216-K266 PolarHBondContact OD2-NZ 3.43Å; F261-K266 WeakPolarHBondContact CD1-O 3.49Å; F261-K266 PolarHBondContact O-N 3.23Å; S264-K266 WeakPolarHBondContact O-CG 3.42Å; S264-K266 PolarHBondContact O-N 3.15Å; S264-K266 WeakPolarHBondContact OG-CB 3.42Å; S264-K266 PolarHBondContact OG-N 2.99Å; K266-A268 PolarHBondContact O-N 2.84Å
267D72Confident79.6Confident158 Ų15872.7 Ų72.785%0.84539%0.386SS*.  trans-62.7127.6178.8-73.9-68.9000112.7G269D267-G269 PolarHBondContact O-N 3.46Å
268A67Low79.5Confident32 Ų3273.5 Ų73.526%0.26439%0.389SS..  trans-70.1-17.1175.200000113.7F261 K266 V272F261-A268 HydrophobicContact CB-CB 3.94Å; F261-A268 HydrophobicContact CD1-CB 4.05Å; F261-A268 HydrophobicContact CD2-CB 3.66Å; F261-A268 HydrophobicContact CE1-CB 4.48Å; F261-A268 HydrophobicContact CE2-CB 4.15Å; F261-A268 HydrophobicContact CG-CB 3.62Å; K266-A268 PolarHBondContact O-N 2.84Å; A268-V272 HydrophobicContact CB-CG2 4.14Å
269G66.3Low79.7Confident63 Ų6368.2 Ų68.265%0.64937%0.369SS*.THydrogen-bonded Turntrans58.8-157.9-17300000113D267 A271D267-G269 PolarHBondContact O-N 3.46Å; G269-A271 VanDerWaalsContact C-N 3.34Å
270K62.2Low79.9Confident224 Ų22467.3 Ų67.397%0.97437%0.365SS*.THydrogen-bonded Turntrans-89.112.1179.2-64.7-173.3176.8-177.50114.1
271A53.7Low80Confident43 Ų4367.3 Ų67.336%0.35537%0.365SS..  trans-131.673.1-158.600000114G269 Y278G269-A271 VanDerWaalsContact C-N 3.34Å; A271-Y278 VanDerWaalsContact O-CE2 3.24Å; A271-Y278 WeakPolarHBondContact O-CE2 3.31Å; A271-Y278 PolarHBondContact O-OH 3.49Å
272V61.2Low80.1Confident27 Ų2767.4 Ų67.416%0.16437%0.366CS..  trans-125.715.4176.6-153.70000113.1V257 R258 A268 S274 G275V257-V272 HydrophobicContact CB-CG1 4.17Å; V257-V272 HydrophobicContact CG1-CG1 3.58Å; R258-V272 HydrophobicContact CG-CG1 4.48Å; A268-V272 HydrophobicContact CB-CG2 4.14Å; V272-S274 PolarHBondContact O-N 2.71Å; V272-G275 PolarHBondContact O-N 2.92Å
273N57Low80Confident171 Ų17161 Ų6191%0.91434%0.343SS*.SBendtrans-55.1-25.4-172.4-105.141.7000116.2
274S70.9Confident79.8Confident61 Ų6162.9 Ų62.943%0.42734%0.344SS..SBendtrans-122-18.4174.561.60000114.7V272 L276V272-S274 PolarHBondContact O-N 2.71Å; S274-L276 PolarHBondContact O-N 3.2Å
275G82.1Confident79.4Confident1 Ų165 Ų651%0.0135%0.353CS..  trans66.3-43.5-176.400000115.9V272 R277 Y278V272-G275 PolarHBondContact O-N 2.92Å; G275-R277 VanDerWaalsContact C-N 3.25Å; G275-R277 PolarHBondContact O-N 3.27Å; G275-Y278 WeakPolarHBondContact O-CD2 3.46Å; G275-Y278 PolarHBondContact O-N 3.25Å
276L88.3Confident79Confident11 Ų1163.9 Ų63.96%0.05835%0.351CS..G310 helixtrans-40.2-42.9-173.8-74.8154.8000115.4I253 S274 Y278 V279 L293 L297I253-L276 HydrophobicContact CD1-CD2 3.61Å; I253-L276 HydrophobicContact CD1-CG 4.2Å; I253-L276 HydrophobicContact CG2-CG 4.45Å; S274-L276 PolarHBondContact O-N 3.2Å; L276-Y278 PolarHBondContact O-N 3.3Å; L276-V279 PolarHBondContact O-N 3Å; L276-V279 VanDerWaalsContact O-N 3.08Å; L276-L293 HydrophobicContact CD2-CB 4.22Å; L276-L293 HydrophobicContact CD2-CD2 4.14Å; L276-L293 HydrophobicContact CD2-CG 3.85Å; L276-L297 HydrophobicContact CD2-CB 3.86Å; L276-L297 HydrophobicContact CD2-CD1 4.24Å
277R90.6Very high79.3Confident137 Ų13763.8 Ų63.852%0.51736%0.358SS..G310 helixtrans-62.9-15-177.778.6179.5-164.2165.34.6114.7R214 G275R214-R277 WeakPolarHBondContact CD-O 3.44Å; R214-R277 PolarHBondContact NH1-O 3.45Å; G275-R277 VanDerWaalsContact C-N 3.25Å; G275-R277 PolarHBondContact O-N 3.27Å
278Y92.3Very high79.9Confident17 Ų1758.1 Ų58.17%0.06734%0.337CS..G310 helixtrans-103.4-4.5178.9-52.5-74.4000113.9F213 R214 V257 F261 A271 G275 L276F213-Y278 WeakPolarHBondContact CD2-O 3.33Å; R214-Y278 WeakPolarHBondContact CB-O 3.43Å; R214-Y278 PolarHBondContact N-O 3.05Å; V257-Y278 HydrophobicContact CG1-CD2 3.76Å; V257-Y278 HydrophobicContact CG1-CE2 4.48Å; V257-Y278 HydrophobicContact CG1-CG 4.31Å; F261-Y278 HydrophobicContact CE2-CD1 4.32Å; F261-Y278 HydrophobicContact CE2-CD2 4.09Å; F261-Y278 HydrophobicContact CE2-CE1 4.32Å; F261-Y278 HydrophobicContact CE2-CE2 4.06Å; F261-Y278 HydrophobicContact CE2-CG 4.2Å; F261-Y278 AromaticContact CZ-CD1 3.94Å; F261-Y278 HydrophobicContact CZ-CD1 3.94Å; F261-Y278 HydrophobicContact CZ-CD2 4.48Å; F261-Y278 AromaticContact CZ-CE1 3.79Å; F261-Y278 HydrophobicContact CZ-CE1 3.79Å; F261-Y278 HydrophobicContact CZ-CE2 4.32Å; F261-Y278 HydrophobicContact CZ-CG 4.28Å; F261-Y278 AromaticContact CZ-CZ 3.95Å; A271-Y278 VanDerWaalsContact O-CE2 3.24Å; A271-Y278 WeakPolarHBondContact O-CE2 3.31Å; A271-Y278 PolarHBondContact O-OH 3.49Å; G275-Y278 WeakPolarHBondContact O-CD2 3.46Å; G275-Y278 PolarHBondContact O-N 3.25Å; L276-Y278 PolarHBondContact O-N 3.3Å
279V95.3Very high81.1Confident0 Ų058.8 Ų58.80%034%0.336CS..EExtended strand (participates in β ladder)trans-109137178.4-172.20000109.1V211 R212 I253 V257 L276 L293V211-V279 HydrophobicContact CB-CG1 3.91Å; V211-V279 HydrophobicContact CG1-CG1 4.19Å; R212-V279 WeakPolarHBondContact O-CA 3.13Å; I253-V279 HydrophobicContact CG2-CG2 4.12Å; V257-V279 HydrophobicContact CG2-CG2 3.46Å; V257-V279 VanDerWaalsContact CG2-CG2 3.46Å; L276-V279 PolarHBondContact O-N 3Å; L276-V279 VanDerWaalsContact O-N 3.08Å; V279-L293 HydrophobicContact CB-CB 4.07Å; V279-L293 HydrophobicContact CB-CD2 3.94Å; V279-L293 HydrophobicContact CG1-CB 4.24Å; V279-L293 HydrophobicContact CG1-CD2 3.71Å; V279-L293 WeakPolarHBondContact O-CB 3.24Å; V279-L293 PolarHBondContact O-N 2.58Å
280E95.9Very high82.4Confident18 Ų1858.3 Ų58.38%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-117.1147.1172.2-64.8-179155.300110V211 R212 R214 W290 R291V211-E280 CarbonylContact C-O 3.51Å; V211-E280 WeakPolarHBondContact CA-O 3.3Å; V211-E280 WeakPolarHBondContact CB-O 3.42Å; R212-E280 HydrophobicContact CG-CB 4.02Å; R212-E280 IonicContact CZ-OE2 2.72Å; R212-E280 VanDerWaalsContact CZ-OE2 3.23Å; R212-E280 PolarHBondContact N-O 2.99Å; R212-E280 IonicContact NE-OE2 2.99Å; R212-E280 PolarHBondContact NE-OE2 2.92Å; R212-E280 IonicContact NH2-OE2 3.12Å; R212-E280 PolarHBondContact NH2-OE2 3.19Å; R212-E280 PolarHBondContact O-N 2.88Å; R214-E280 HydrophobicContact CB-CG 4.2Å; R214-E280 IonicContact CZ-OE1 2.77Å; R214-E280 IonicContact NE-OE1 3.82Å; R214-E280 PolarHBondContact NE-OE1 2.73Å; R214-E280 IonicContact NH2-OE1 3.73Å; R214-E280 PolarHBondContact NH2-OE1 3.47Å; E280-W290 HydrophobicContact CB-CE3 4.16Å; E280-R291 CarbonylContact C-O 3.54Å; E280-R291 WeakPolarHBondContact CA-O 3.49Å; E280-R291 VanDerWaalsContact CB-O 3.31Å; E280-R291 WeakPolarHBondContact CB-O 3.34Å
281Y95.3Very high84Confident0 Ų051.5 Ų51.50%028%0.283CS..EExtended strand (participates in β ladder)trans-112.1151.2172.673.7-81.4000110.6F209 N210 K283 W290 R291 G292 L293 L296 V312 P314F209-Y281 HydrophobicContact CE2-CG 4.38Å; N210-Y281 WeakPolarHBondContact O-CA 3.49Å; Y281-K283 HydrophobicContact CD2-CB 4.35Å; Y281-K283 HydrophobicContact CE2-CB 3.7Å; Y281-K283 HydrophobicContact CE2-CG 4.31Å; Y281-W290 VanDerWaalsContact C-CE3 3.46Å; Y281-W290 WeakPolarHBondContact O-CA 3.21Å; Y281-R291 HydrophobicContact CD1-CB 4.03Å; Y281-R291 WeakPolarHBondContact CD1-O 3.49Å; Y281-R291 HydrophobicContact CE1-CB 3.39Å; Y281-R291 HydrophobicContact CE2-CB 4.31Å; Y281-R291 PolarHBondContact N-O 2.97Å; Y281-R291 PolarHBondContact O-N 3.48Å; Y281-R291 WeakPolarHBondContact OH-CD 3.48Å; Y281-G292 WeakPolarHBondContact CE1-O 3.35Å; Y281-L293 HydrophobicContact CD1-CD1 4.32Å; Y281-L296 HydrophobicContact CD1-CB 4.3Å; Y281-L296 HydrophobicContact CD2-CD2 4.49Å; Y281-L296 HydrophobicContact CE1-CB 3.88Å; Y281-L296 HydrophobicContact CG-CD2 4.44Å; Y281-V312 WeakPolarHBondContact CE2-O 3.35Å; Y281-V312 PolarHBondContact OH-O 3.09Å; Y281-P314 HydrophobicContact CD2-CB 4.47Å; Y281-P314 HydrophobicContact CD2-CG 3.79Å; Y281-P314 HydrophobicContact CE2-CG 4.07Å
282E94Very high85.9Confident14 Ų1449.5 Ų49.57%0.06527%0.266CS..EExtended strand (participates in β ladder)trans-87.5112.5172.1-175.5173.3-141.100109.4N210 R284 G286 G288 W290N210-E282 HydrophobicContact CB-CB 4.26Å; N210-E282 PolarHBondContact ND2-OE2 3.48Å; N210-E282 PolarHBondContact O-N 2.83Å; E282-R284 VanDerWaalsContact CG-O 3.23Å; E282-R284 WeakPolarHBondContact CG-O 3.42Å; E282-G286 VanDerWaalsContact CD-N 3.34Å; E282-G286 PolarHBondContact OE1-N 2.95Å; E282-G286 PolarHBondContact OE2-N 3.07Å; E282-G288 PolarHBondContact OE1-N 3.37Å; E282-W290 HydrophobicContact CB-CD2 4.21Å; E282-W290 HydrophobicContact CB-CE3 4.02Å; E282-W290 HydrophobicContact CB-CH2 3.88Å; E282-W290 HydrophobicContact CB-CZ2 4.05Å; E282-W290 HydrophobicContact CB-CZ3 3.86Å; E282-W290 HydrophobicContact CG-CZ2 4.48Å
283K89.8Confident87.4Confident37 Ų3748.3 Ų48.316%0.16126%0.259CS..SBendtrans-72.5-27.6-176.1175.5171.6158179.70113.4Y281 D289 E311 Q315Y281-K283 HydrophobicContact CD2-CB 4.35Å; Y281-K283 HydrophobicContact CE2-CB 3.7Å; Y281-K283 HydrophobicContact CE2-CG 4.31Å; K283-D289 HydrophobicContact CB-CB 4.35Å; K283-D289 WeakPolarHBondContact CD-OD2 3.31Å; K283-D289 PolarHBondContact N-O 3.47Å; K283-E311 WeakPolarHBondContact CE-O 3.48Å; K283-E311 PolarHBondContact NZ-O 3.01Å; K283-Q315 PolarHBondContact O-N 3.37Å
284R86.1Confident89.1Confident109 Ų10942.6 Ų42.641%0.41123%0.233SC..BIsolated β-bridgetrans-136116.9173.9-63.6-179168.4-68.5-7.1108.2E282 G286 T287 Q315E282-R284 VanDerWaalsContact CG-O 3.23Å; E282-R284 WeakPolarHBondContact CG-O 3.42Å; R284-G286 PolarHBondContact O-N 3.03Å; R284-T287 HydrophobicContact CB-CG2 3.52Å; R284-T287 WeakPolarHBondContact CB-OG1 3.31Å; R284-T287 PolarHBondContact O-N 3.34Å; R284-T287 VanDerWaalsContact O-N 3.1Å; R284-T287 PolarHBondContact O-OG1 3.29Å; R284-Q315 VanDerWaalsContact CZ-OE1 3.26Å; R284-Q315 VanDerWaalsContact NH2-OE1 3.14Å
285Q82.6Confident90.1Very high56 Ų5643.3 Ų43.326%0.26223%0.229SC..THydrogen-bonded Turntrans-57.9127.9-174.1-56.5-169.716.500110.8P208 T287P208-Q285 PolarHBondContact O-NE2 3.4Å; Q285-T287 VanDerWaalsContact C-N 3.31Å; Q285-T287 PolarHBondContact O-N 3.42Å
286G78.2Confident90.6Very high73 Ų7343.3 Ų43.375%0.75323%0.229SC*.THydrogen-bonded Turntrans78.9-2.9179.600000116.2E282 R284E282-G286 VanDerWaalsContact CD-N 3.34Å; E282-G286 PolarHBondContact OE1-N 2.95Å; E282-G286 PolarHBondContact OE2-N 3.07Å; R284-G286 PolarHBondContact O-N 3.03Å
287T84.4Confident90.8Very high87 Ų8743 Ų4353%0.53423%0.227SC..THydrogen-bonded Turntrans-95.2-12.2176.789.20000113.6R284 Q285 D289R284-T287 HydrophobicContact CB-CG2 3.52Å; R284-T287 WeakPolarHBondContact CB-OG1 3.31Å; R284-T287 PolarHBondContact O-N 3.34Å; R284-T287 VanDerWaalsContact O-N 3.1Å; R284-T287 PolarHBondContact O-OG1 3.29Å; Q285-T287 VanDerWaalsContact C-N 3.31Å; Q285-T287 PolarHBondContact O-N 3.42Å; T287-D289 VanDerWaalsContact C-N 3.29Å; T287-D289 PolarHBondContact O-N 3.15Å; T287-D289 PolarHBondContact OG1-N 2.61Å
288G84.8Confident90.9Very high39 Ų3938.5 Ų38.540%0.40221%0.214SC..THydrogen-bonded Turntrans66.121.7-17600000115.8E282 W290E282-G288 PolarHBondContact OE1-N 3.37Å; G288-W290 PolarHBondContact O-N 2.69Å
289D92.1Very high90.8Very high47 Ų4742.8 Ų42.825%0.25124%0.238SC..  trans-73.779.2166.8-177.915.5000108.8K283 T287 R291K283-D289 HydrophobicContact CB-CB 4.35Å; K283-D289 WeakPolarHBondContact CD-OD2 3.31Å; K283-D289 PolarHBondContact N-O 3.47Å; T287-D289 VanDerWaalsContact C-N 3.29Å; T287-D289 PolarHBondContact O-N 3.15Å; T287-D289 PolarHBondContact OG1-N 2.61Å; D289-R291 IonicContact OD1-CZ 3.78Å; D289-R291 IonicContact OD1-NE 3.14Å; D289-R291 PolarHBondContact OD1-NE 2.8Å; D289-R291 VanDerWaalsContact OD1-NE 3.14Å; D289-R291 IonicContact OD1-NH2 2.68Å; D289-R291 IonicContact OD2-NE 3.58Å
290W94.5Very high90.5Very high53 Ų5343.6 Ų43.620%0.20125%0.246CC..EExtended strand (participates in β ladder)trans-87.3122.6-178.3-70.397.1000111.3N210 R212 E280 Y281 E282 G288N210-W290 HydrophobicContact CB-CH2 4.1Å; R212-W290 HydrophobicContact CB-CE3 4.37Å; R212-W290 HydrophobicContact CB-CH2 4.01Å; R212-W290 HydrophobicContact CB-CZ3 3.8Å; R212-W290 HydrophobicContact CG-CD2 4.19Å; R212-W290 HydrophobicContact CG-CE3 3.61Å; R212-W290 HydrophobicContact CG-CH2 4.1Å; R212-W290 HydrophobicContact CG-CZ3 3.56Å; E280-W290 HydrophobicContact CB-CE3 4.16Å; Y281-W290 VanDerWaalsContact C-CE3 3.46Å; Y281-W290 WeakPolarHBondContact O-CA 3.21Å; E282-W290 HydrophobicContact CB-CD2 4.21Å; E282-W290 HydrophobicContact CB-CE3 4.02Å; E282-W290 HydrophobicContact CB-CH2 3.88Å; E282-W290 HydrophobicContact CB-CZ2 4.05Å; E282-W290 HydrophobicContact CB-CZ3 3.86Å; E282-W290 HydrophobicContact CG-CZ2 4.48Å; G288-W290 PolarHBondContact O-N 2.69Å
291R94.4Very high90.4Very high81 Ų8142.9 Ų42.931%0.30624%0.243SC..EExtended strand (participates in β ladder)trans-125.8154.9-174.1-75.2178.4172.8-87-9.2111.7E280 Y281 D289 L293 E295E280-R291 CarbonylContact C-O 3.54Å; E280-R291 WeakPolarHBondContact CA-O 3.49Å; E280-R291 VanDerWaalsContact CB-O 3.31Å; E280-R291 WeakPolarHBondContact CB-O 3.34Å; Y281-R291 HydrophobicContact CD1-CB 4.03Å; Y281-R291 WeakPolarHBondContact CD1-O 3.49Å; Y281-R291 HydrophobicContact CE1-CB 3.39Å; Y281-R291 HydrophobicContact CE2-CB 4.31Å; Y281-R291 PolarHBondContact N-O 2.97Å; Y281-R291 PolarHBondContact O-N 3.48Å; Y281-R291 WeakPolarHBondContact OH-CD 3.48Å; D289-R291 IonicContact OD1-CZ 3.78Å; D289-R291 IonicContact OD1-NE 3.14Å; D289-R291 PolarHBondContact OD1-NE 2.8Å; D289-R291 VanDerWaalsContact OD1-NE 3.14Å; D289-R291 IonicContact OD1-NH2 2.68Å; D289-R291 IonicContact OD2-NE 3.58Å; R291-L293 PolarHBondContact O-N 2.68Å; R291-E295 IonicContact CZ-OE2 3.93Å; R291-E295 IonicContact NH1-OE2 3.87Å; R291-E295 PolarHBondContact NH1-OE2 2.68Å
292G94.1Very high90.2Very high1 Ų145 Ų451%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-65.6131.6178.500000111Y281 S294 E295Y281-G292 WeakPolarHBondContact CE1-O 3.35Å; G292-S294 PolarHBondContact O-N 2.93Å; G292-E295 PolarHBondContact N-OE1 2.91Å; G292-E295 VanDerWaalsContact O-CB 3.31Å; G292-E295 WeakPolarHBondContact O-CB 3.35Å; G292-E295 PolarHBondContact O-N 3Å
293L93.9Very high90Very high1 Ų147.4 Ų47.41%0.00526%0.263CS..Hα-helixtrans-61.2-20.9178.3-17261000112.4I253 L276 V279 Y281 R291 E295 L296 L297I253-L293 HydrophobicContact CD1-CD2 3.7Å; I253-L293 HydrophobicContact CG1-CD2 4.27Å; L276-L293 HydrophobicContact CD2-CB 4.22Å; L276-L293 HydrophobicContact CD2-CD2 4.14Å; L276-L293 HydrophobicContact CD2-CG 3.85Å; V279-L293 HydrophobicContact CB-CB 4.07Å; V279-L293 HydrophobicContact CB-CD2 3.94Å; V279-L293 HydrophobicContact CG1-CB 4.24Å; V279-L293 HydrophobicContact CG1-CD2 3.71Å; V279-L293 WeakPolarHBondContact O-CB 3.24Å; V279-L293 PolarHBondContact O-N 2.58Å; Y281-L293 HydrophobicContact CD1-CD1 4.32Å; R291-L293 PolarHBondContact O-N 2.68Å; L293-E295 VanDerWaalsContact C-N 3.3Å; L293-E295 PolarHBondContact O-N 3.25Å; L293-L296 HydrophobicContact CD1-CB 4.49Å; L293-L296 HydrophobicContact CD1-CD2 4.08Å; L293-L296 PolarHBondContact O-N 3.27Å; L293-L297 HydrophobicContact CD1-CD1 3.94Å; L293-L297 HydrophobicContact CD1-CG 4.12Å; L293-L297 HydrophobicContact CD2-CD1 4.28Å; L293-L297 HydrophobicContact CG-CD1 3.96Å; L293-L297 HydrophobicContact CG-CG 4.32Å; L293-L297 WeakPolarHBondContact O-CB 3.42Å; L293-L297 PolarHBondContact O-N 3.17Å
294S92.4Very high90.1Very high52 Ų5246.4 Ų46.436%0.36426%0.258SS..Hα-helixtrans-66.3-18.6168.8530000115.5G292G292-S294 PolarHBondContact O-N 2.93Å
295E91.8Very high90.3Very high76 Ų7649.7 Ų49.736%0.35528%0.276SS..Hα-helixtrans-72.3-42.4171.1-67.6165.1-122.300110.5R291 G292 L293R291-E295 IonicContact CZ-OE2 3.93Å; R291-E295 IonicContact NH1-OE2 3.87Å; R291-E295 PolarHBondContact NH1-OE2 2.68Å; G292-E295 PolarHBondContact N-OE1 2.91Å; G292-E295 VanDerWaalsContact O-CB 3.31Å; G292-E295 WeakPolarHBondContact O-CB 3.35Å; G292-E295 PolarHBondContact O-N 3Å; L293-E295 VanDerWaalsContact C-N 3.3Å; L293-E295 PolarHBondContact O-N 3.25Å
296L92.5Very high90.6Very high1 Ų151.2 Ų51.21%0.00528%0.283CS..Hα-helixtrans-78.2-41-179.917660.3000112.2L203 F209 Y281 L293 V312 L313 P314L203-L296 HydrophobicContact CD2-CD1 4.02Å; F209-L296 HydrophobicContact CE1-CD2 4.41Å; F209-L296 HydrophobicContact CE2-CD2 4.23Å; F209-L296 HydrophobicContact CZ-CD2 3.7Å; Y281-L296 HydrophobicContact CD1-CB 4.3Å; Y281-L296 HydrophobicContact CD2-CD2 4.49Å; Y281-L296 HydrophobicContact CE1-CB 3.88Å; Y281-L296 HydrophobicContact CG-CD2 4.44Å; L293-L296 HydrophobicContact CD1-CB 4.49Å; L293-L296 HydrophobicContact CD1-CD2 4.08Å; L293-L296 PolarHBondContact O-N 3.27Å; L296-V312 HydrophobicContact CD1-CG2 4.27Å; L296-L313 HydrophobicContact CD1-CD2 3.85Å; L296-P314 HydrophobicContact CD2-CG 3.9Å
297L92.8Very high91.1Very high3 Ų352 Ų522%0.01628%0.275CS..SBendtrans-113.364.6-175.8-54.1-175.6000110L203 F226 L236 V238 I253 L276 L293 V301 R302L203-L297 HydrophobicContact CD1-CD2 4.32Å; L203-L297 HydrophobicContact CD2-CD2 4.21Å; F226-L297 HydrophobicContact CE1-CD1 4.25Å; F226-L297 HydrophobicContact CE1-CD2 4.03Å; L236-L297 HydrophobicContact CD2-CD2 3.65Å; V238-L297 HydrophobicContact CG2-CD1 4.02Å; I253-L297 HydrophobicContact CD1-CD1 3.87Å; L276-L297 HydrophobicContact CD2-CB 3.86Å; L276-L297 HydrophobicContact CD2-CD1 4.24Å; L293-L297 HydrophobicContact CD1-CD1 3.94Å; L293-L297 HydrophobicContact CD1-CG 4.12Å; L293-L297 HydrophobicContact CD2-CD1 4.28Å; L293-L297 HydrophobicContact CG-CD1 3.96Å; L293-L297 HydrophobicContact CG-CG 4.32Å; L293-L297 WeakPolarHBondContact O-CB 3.42Å; L293-L297 PolarHBondContact O-N 3.17Å; L297-V301 HydrophobicContact CD2-CG1 4.38Å; L297-R302 HydrophobicContact CB-CG 4.2Å; L297-R302 WeakPolarHBondContact O-CD 3.38Å
298N92Very high91.3Very high44 Ų4448.2 Ų48.224%0.23525%0.252CS..  trans-67.8167172.385.57.6000110.9G300 V301 R302 E306N298-G300 PolarHBondContact O-N 3.43Å; N298-G300 VanDerWaalsContact OD1-CA 3.32Å; N298-G300 WeakPolarHBondContact OD1-CA 3.18Å; N298-G300 PolarHBondContact OD1-N 2.9Å; N298-V301 PolarHBondContact O-N 3.31Å; N298-V301 WeakPolarHBondContact OD1-CG2 3.27Å; N298-V301 PolarHBondContact OD1-N 2.79Å; N298-R302 VanDerWaalsContact O-CG 3.32Å; N298-R302 WeakPolarHBondContact O-CG 3.16Å; N298-R302 PolarHBondContact O-N 2.94Å; N298-E306 PolarHBondContact ND2-OE2 3.01Å
299D90.2Very high91.5Very high107 Ų10749.9 Ų49.957%0.57225%0.251SS*.Hα-helixtrans-67.1-21.2-177.5-66-37.1000114R302 M303D299-R302 IonicContact OD1-CZ 2.73Å; D299-R302 VanDerWaalsContact OD1-CZ 3.31Å; D299-R302 IonicContact OD1-NE 3.23Å; D299-R302 PolarHBondContact OD1-NE 3.3Å; D299-R302 IonicContact OD1-NH2 2.86Å; D299-R302 PolarHBondContact OD1-NH2 2.89Å; D299-M303 WeakPolarHBondContact O-CB 3.29Å; D299-M303 VanDerWaalsContact O-CG 3.23Å; D299-M303 WeakPolarHBondContact O-CG 3.43Å; D299-M303 PolarHBondContact O-N 3.4Å
300G90Very high91.2Very high17 Ų1751.8 Ų51.818%0.17527%0.266CS..Hα-helixtrans-69.2-49.1171.800000112.3N298 M303 F304 K305 E306N298-G300 PolarHBondContact O-N 3.43Å; N298-G300 VanDerWaalsContact OD1-CA 3.32Å; N298-G300 WeakPolarHBondContact OD1-CA 3.18Å; N298-G300 PolarHBondContact OD1-N 2.9Å; G300-M303 CarbonylContact O-C 3.1Å; G300-M303 PolarHBondContact O-N 3.13Å; G300-F304 PolarHBondContact O-N 3.33Å; G300-F304 VanDerWaalsContact O-N 3.11Å; G300-K305 PolarHBondContact O-N 2.94Å; G300-E306 PolarHBondContact O-N 2.99Å
301V92.3Very high90.8Very high2 Ų255.4 Ų55.41%0.01229%0.285CS..Hα-helixtrans-64.4-45.1177174.70000111V199 L203 L236 L297 N298 M303 F304 E306 P308V199-V301 HydrophobicContact CG1-CG1 4.12Å; L203-V301 HydrophobicContact CD1-CG1 4.19Å; L236-V301 HydrophobicContact CD2-CG1 4.41Å; L297-V301 HydrophobicContact CD2-CG1 4.38Å; N298-V301 PolarHBondContact O-N 3.31Å; N298-V301 WeakPolarHBondContact OD1-CG2 3.27Å; N298-V301 PolarHBondContact OD1-N 2.79Å; V301-M303 PolarHBondContact O-N 3.44Å; V301-F304 PolarHBondContact O-N 3.42Å; V301-F304 VanDerWaalsContact O-N 3.14Å; V301-E306 WeakPolarHBondContact CA-O 3.37Å; V301-P308 HydrophobicContact CG1-CB 4.37Å; V301-P308 HydrophobicContact CG2-CB 4.1Å
302R91.1Very high90.5Very high44 Ų4452.6 Ų52.617%0.16628%0.276CS..Hα-helixtrans-63.1-28.5-179.8-66.9-176.1-32.393.7-1.6113.5E235 L236 L297 N298 D299E235-R302 WeakPolarHBondContact CA-O 3.49Å; E235-R302 IonicContact OE1-CZ 3.49Å; E235-R302 IonicContact OE1-NH1 2.85Å; E235-R302 PolarHBondContact OE1-NH1 3.17Å; L236-R302 HydrophobicContact CB-CB 4.47Å; L236-R302 PolarHBondContact N-O 3.49Å; L297-R302 HydrophobicContact CB-CG 4.2Å; L297-R302 WeakPolarHBondContact O-CD 3.38Å; N298-R302 VanDerWaalsContact O-CG 3.32Å; N298-R302 WeakPolarHBondContact O-CG 3.16Å; N298-R302 PolarHBondContact O-N 2.94Å; D299-R302 IonicContact OD1-CZ 2.73Å; D299-R302 VanDerWaalsContact OD1-CZ 3.31Å; D299-R302 IonicContact OD1-NE 3.23Å; D299-R302 PolarHBondContact OD1-NE 3.3Å; D299-R302 IonicContact OD1-NH2 2.86Å; D299-R302 PolarHBondContact OD1-NH2 2.89Å
303M90.7Very high90.2Very high66 Ų6654.2 Ų54.233%0.32529%0.285SS..THydrogen-bonded Turntrans-103.311.3179.6-59.2-67.3162.200112.6E235 D299 G300 V301 K305E235-M303 HydrophobicContact CG-CE 4.27Å; E235-M303 WeakPolarHBondContact OE1-CE 3.38Å; D299-M303 WeakPolarHBondContact O-CB 3.29Å; D299-M303 VanDerWaalsContact O-CG 3.23Å; D299-M303 WeakPolarHBondContact O-CG 3.43Å; D299-M303 PolarHBondContact O-N 3.4Å; G300-M303 CarbonylContact O-C 3.1Å; G300-M303 PolarHBondContact O-N 3.13Å; V301-M303 PolarHBondContact O-N 3.44Å; M303-K305 HydrophobicContact CB-CD 4.26Å; M303-K305 HydrophobicContact CB-CG 4.18Å; M303-K305 PolarHBondContact O-N 3.1Å; M303-K305 VanDerWaalsContact O-N 3.12Å
304F91.9Very high89.9Confident15 Ų1554.4 Ų54.47%0.06629%0.286CS..THydrogen-bonded Turntrans53.428.4-179-54-79.7000115.3V196 V199 L200 A228 F234 L236 G300 V301V196-F304 HydrophobicContact CB-CD1 4.2Å; V196-F304 HydrophobicContact CB-CG 4.3Å; V196-F304 HydrophobicContact CG1-CD1 3.99Å; V196-F304 HydrophobicContact CG1-CD2 4.43Å; V196-F304 HydrophobicContact CG1-CE1 3.93Å; V196-F304 HydrophobicContact CG1-CE2 4.37Å; V196-F304 HydrophobicContact CG1-CG 4.24Å; V196-F304 HydrophobicContact CG1-CZ 4.13Å; V196-F304 HydrophobicContact CG2-CB 3.91Å; V196-F304 HydrophobicContact CG2-CD1 4.3Å; V196-F304 HydrophobicContact CG2-CD2 4.23Å; V196-F304 HydrophobicContact CG2-CG 3.89Å; V199-F304 HydrophobicContact CB-CD1 3.76Å; V199-F304 HydrophobicContact CB-CE1 4.12Å; V199-F304 HydrophobicContact CG1-CD1 3.69Å; V199-F304 HydrophobicContact CG1-CE1 3.74Å; V199-F304 HydrophobicContact CG2-CD1 4.11Å; L200-F304 HydrophobicContact CD2-CE1 4.08Å; L200-F304 HydrophobicContact CD2-CZ 4.32Å; L200-F304 HydrophobicContact CG-CE1 4.04Å; A228-F304 HydrophobicContact CB-CE1 4.47Å; A228-F304 HydrophobicContact CB-CE2 3.62Å; A228-F304 HydrophobicContact CB-CZ 3.52Å; F234-F304 HydrophobicContact CB-CD2 3.56Å; F234-F304 HydrophobicContact CB-CE2 3.85Å; F234-F304 WeakPolarHBondContact O-CD2 3.5Å; L236-F304 HydrophobicContact CB-CE2 4.29Å; L236-F304 HydrophobicContact CB-CZ 3.9Å; L236-F304 HydrophobicContact CD1-CE1 3.93Å; L236-F304 HydrophobicContact CD1-CZ 3.73Å; L236-F304 HydrophobicContact CG-CZ 4.45Å; G300-F304 PolarHBondContact O-N 3.33Å; G300-F304 VanDerWaalsContact O-N 3.11Å; V301-F304 PolarHBondContact O-N 3.42Å; V301-F304 VanDerWaalsContact O-N 3.14Å
305K90.1Very high89.4Confident178 Ų17856.3 Ų56.377%0.77429%0.289SS*.SBendtrans-89.1-21.7176.8-63.4-179.3-178.2176.70113G300 M303G300-K305 PolarHBondContact O-N 2.94Å; M303-K305 HydrophobicContact CB-CD 4.26Å; M303-K305 HydrophobicContact CB-CG 4.18Å; M303-K305 PolarHBondContact O-N 3.1Å; M303-K305 VanDerWaalsContact O-N 3.12Å
306E89.5Confident88.2Confident88 Ų8855.4 Ų55.441%0.41129%0.29SS..SBendtrans-140.7140.2-176.7-167.6-179.3-152.600109.9N298 G300 V301N298-E306 PolarHBondContact ND2-OE2 3.01Å; G300-E306 PolarHBondContact O-N 2.99Å; V301-E306 WeakPolarHBondContact CA-O 3.37Å
307P88.1Confident86.6Confident90 Ų9058 Ų5858%0.58430%0.304SS*.PPolyproline II helixtrans-68.8150.5170.330.1-35.2000111.6I309P307-I309 PolarHBondContact O-N 3.25Å
308P89Confident84.8Confident7 Ų763 Ų635%0.04534%0.337CS..PPolyproline II helixtrans-66.1136.5175.229.5-35.8000111A202 L203 V301 P310 L313A202-P308 HydrophobicContact CB-CG 3.67Å; L203-P308 HydrophobicContact CD2-CB 3.99Å; L203-P308 HydrophobicContact CD2-CG 4.07Å; L203-P308 HydrophobicContact CG-CG 4.2Å; V301-P308 HydrophobicContact CG1-CB 4.37Å; V301-P308 HydrophobicContact CG2-CB 4.1Å; P308-P310 WeakPolarHBondContact O-CD 3.29Å; P308-L313 HydrophobicContact CB-CD2 3.94Å; P308-L313 HydrophobicContact CG-CD2 4.1Å
309I88.2Confident82.9Confident75 Ų7566.4 Ų66.439%0.38536%0.359SS..PPolyproline II helixtrans-63.3120.6-178.4-62.9169000109.3P307 E311 V312 L313P307-I309 PolarHBondContact O-N 3.25Å; I309-E311 HydrophobicContact CG2-CB 4.19Å; I309-E311 VanDerWaalsContact CG2-OE2 3.22Å; I309-E311 WeakPolarHBondContact CG2-OE2 3.35Å; I309-E311 PolarHBondContact O-N 3.16Å; I309-E311 VanDerWaalsContact O-N 3.12Å; I309-V312 HydrophobicContact CB-CG2 4.04Å; I309-V312 HydrophobicContact CG2-CG1 4.37Å; I309-V312 WeakPolarHBondContact O-CG2 3.45Å; I309-V312 PolarHBondContact O-N 2.89Å; I309-L313 PolarHBondContact O-N 3.21Å
310P85.8Confident81Confident87 Ų8766.9 Ų66.957%0.56536%0.361SS*.G310 helixtrans-56-33.5-175.8-2836.3000114P308 V312 L313P308-P310 WeakPolarHBondContact O-CD 3.29Å; P310-V312 PolarHBondContact O-N 2.98Å; P310-L313 PolarHBondContact O-N 2.76Å
311E86.9Confident78.7Confident129 Ų12968.3 Ų68.360%0.60337%0.368SS*.G310 helixtrans-70.5-14.6-179.5-65.168.1-150.900113.6K283 I309K283-E311 WeakPolarHBondContact CE-O 3.48Å; K283-E311 PolarHBondContact NZ-O 3.01Å; I309-E311 HydrophobicContact CG2-CB 4.19Å; I309-E311 VanDerWaalsContact CG2-OE2 3.22Å; I309-E311 WeakPolarHBondContact CG2-OE2 3.35Å; I309-E311 PolarHBondContact O-N 3.16Å; I309-E311 VanDerWaalsContact O-N 3.12Å
312V87.8Confident76.3Confident21 Ų2175.6 Ų75.613%0.12741%0.406CS..G310 helixtrans-109.3-1.3175.4-47.50000113.2Y281 L296 I309 P310Y281-V312 WeakPolarHBondContact CE2-O 3.35Å; Y281-V312 PolarHBondContact OH-O 3.09Å; L296-V312 HydrophobicContact CD1-CG2 4.27Å; I309-V312 HydrophobicContact CB-CG2 4.04Å; I309-V312 HydrophobicContact CG2-CG1 4.37Å; I309-V312 WeakPolarHBondContact O-CG2 3.45Å; I309-V312 PolarHBondContact O-N 2.89Å; P310-V312 PolarHBondContact O-N 2.98Å
313L88.3Confident74.1Confident35 Ų3578.3 Ų78.318%0.18344%0.438CS..SBendtrans-63.8134172.8-68.7178.2000110.4L203 L296 P308 I309 P310 Q315L203-L313 HydrophobicContact CD2-CD2 4.19Å; L296-L313 HydrophobicContact CD1-CD2 3.85Å; P308-L313 HydrophobicContact CB-CD2 3.94Å; P308-L313 HydrophobicContact CG-CD2 4.1Å; I309-L313 PolarHBondContact O-N 3.21Å; P310-L313 PolarHBondContact O-N 2.76Å; L313-Q315 PolarHBondContact O-N 2.76Å
314P87.2Confident71.9Confident5 Ų579 Ų793%0.03245%0.454CS..PPolyproline II helixtrans-56.8129.6168-19.327.5000110.3S206 F209 Y281 L296S206-P314 VanDerWaalsContact CB-O 3.32Å; S206-P314 WeakPolarHBondContact CB-O 3.43Å; F209-P314 HydrophobicContact CB-CB 3.87Å; F209-P314 HydrophobicContact CB-CG 4.3Å; F209-P314 HydrophobicContact CD1-CB 4Å; F209-P314 HydrophobicContact CD1-CG 3.66Å; F209-P314 HydrophobicContact CD2-CB 4.33Å; F209-P314 HydrophobicContact CD2-CG 3.88Å; F209-P314 HydrophobicContact CE1-CG 3.79Å; F209-P314 HydrophobicContact CE2-CG 4.01Å; F209-P314 HydrophobicContact CG-CB 3.83Å; F209-P314 HydrophobicContact CG-CG 3.7Å; F209-P314 HydrophobicContact CZ-CG 3.96Å; Y281-P314 HydrophobicContact CD2-CB 4.47Å; Y281-P314 HydrophobicContact CD2-CG 3.79Å; Y281-P314 HydrophobicContact CE2-CG 4.07Å; L296-P314 HydrophobicContact CD2-CG 3.9Å
315Q80.6Confident69.3Low92 Ų9283.3 Ų83.343%0.4348%0.482SS..BIsolated β-bridgetrans-87.4121.4175.9-61.8-160.4-11.300109.4K283 R284 L313K283-Q315 PolarHBondContact O-N 3.37Å; R284-Q315 VanDerWaalsContact CZ-OE1 3.26Å; R284-Q315 VanDerWaalsContact NH2-OE1 3.14Å; L313-Q315 PolarHBondContact O-N 2.76Å
316P66.7Low66.8Low58 Ų5878.6 Ų78.638%0.37748%0.483SS..PPolyproline II helixtrans-66.4151.6176.229-34.9000110.5
317D58.7Low64.1Low56 Ų5684.3 Ų84.330%0.29950%0.501SS..PPolyproline II helixtrans-61.9125.1173.8-172.9-24.3000109.9V319 L320 S321D317-V319 PolarHBondContact O-N 2.81Å; D317-V319 VanDerWaalsContact OD1-CB 3.3Å; D317-V319 WeakPolarHBondContact OD1-CB 3.49Å; D317-V319 WeakPolarHBondContact OD1-CG2 3.49Å; D317-V319 PolarHBondContact OD1-N 3.26Å; D317-L320 HydrophobicContact CB-CB 4.43Å; D317-L320 HydrophobicContact CB-CD1 4.34Å; D317-L320 HydrophobicContact CB-CG 4.35Å; D317-L320 PolarHBondContact O-N 3.26Å; D317-S321 PolarHBondContact O-N 2.74Å; D317-S321 PolarHBondContact O-OG 3.16Å; D317-S321 VanDerWaalsContact O-OG 3.06Å
318P55.2Low61.6Low108 Ų10885.7 Ų85.770%0.70151%0.51SS*.THydrogen-bonded Turntrans-61-24.4176.625.4-35000113.3
319V52.1Low58.9Low115 Ų11588.2 Ų88.270%0.69754%0.538SS*.THydrogen-bonded Turntrans-71.2-36.5178.1-175.60000111.6D317D317-V319 PolarHBondContact O-N 2.81Å; D317-V319 VanDerWaalsContact OD1-CB 3.3Å; D317-V319 WeakPolarHBondContact OD1-CB 3.49Å; D317-V319 WeakPolarHBondContact OD1-CG2 3.49Å; D317-V319 PolarHBondContact OD1-N 3.26Å
320L51.3Low56.5Low117 Ų11789.9 Ų89.961%0.61355%0.553SS**THydrogen-bonded Turntrans-82.5-23.6-179.9-67.9177.9000113.1D317 L322 A323D317-L320 HydrophobicContact CB-CB 4.43Å; D317-L320 HydrophobicContact CB-CD1 4.34Å; D317-L320 HydrophobicContact CB-CG 4.35Å; D317-L320 PolarHBondContact O-N 3.26Å; L320-L322 PolarHBondContact O-N 2.78Å; L320-A323 PolarHBondContact O-N 3.05Å
321S41.6Very low54Low47 Ų4790.7 Ų90.733%0.32957%0.567SS.*G310 helixtrans-66-19.6-178.5-62.70000113.3D317 A323 A324D317-S321 PolarHBondContact O-N 2.74Å; D317-S321 PolarHBondContact O-OG 3.16Å; D317-S321 VanDerWaalsContact O-OG 3.06Å; S321-A323 PolarHBondContact O-N 3.4Å; S321-A324 PolarHBondContact O-N 3.35Å
322L42.2Very low51.4Low154 Ų15493.6 Ų93.681%0.80658%0.578SS**G310 helixtrans-69.4-16.5178.8-140.274.4000114L320L320-L322 PolarHBondContact O-N 2.78Å
323A43.5Very low48.7Very low101 Ų10198.5 Ų98.584%0.83561%0.614SS**G310 helixtrans-86.9-5.6174.400000113.6L320 S321L320-A323 PolarHBondContact O-N 3.05Å; S321-A323 PolarHBondContact O-N 3.4Å
324A46.2Very low46Very low82 Ų82102.4 Ų102.468%0.67864%0.639SS**  trans-125.828-166.900000114.4S321S321-A324 PolarHBondContact O-N 3.35Å
325T36.6Very low43.6Very low104 Ų104108.9 Ų108.964%0.63868%0.679SS**  trans-109.675.7178.959.90000113.7R327T325-R327 PolarHBondContact O-N 3.17Å
326G37Very low41.3Very low79 Ų79116.1 Ų116.181%0.81470%0.702SS**  trans-66.182.7154.800000109.6P328G326-P328 VanDerWaalsContact O-CD 3.31Å; G326-P328 WeakPolarHBondContact O-CD 3.3Å
327R33Very low39.9Very low209 Ų209124.7 Ų124.779%0.78973%0.727SS**PPolyproline II helixtrans-66.4118.3-165.1-172.5178.4-169.3-111.96.3112.4T325 G329T325-R327 PolarHBondContact O-N 3.17Å; R327-G329 PolarHBondContact O-N 3.03Å
328P35.5Very low38.9Very low118 Ų118133.8 Ų133.877%0.76676%0.757SS**PPolyproline II helixtrans-63124.1170.3-20.533.6000110.4G326G326-P328 VanDerWaalsContact O-CD 3.31Å; G326-P328 WeakPolarHBondContact O-CD 3.3Å
329G33.2Very low37.8Very low61 Ų61138.8 Ų138.863%0.62977%0.768SS**PPolyproline II helixtrans-71135.9173.800000111R327 A331R327-G329 PolarHBondContact O-N 3.03Å; G329-A331 PolarHBondContact O-N 3.35Å
330P37Very low36.7Very low109 Ų109137.7 Ų137.771%0.70877%0.771SS**PPolyproline II helixtrans-66.3128.3179.926.9-33.9000111K332P330-K332 PolarHBondContact O-N 2.98Å
331A32.9Very low35.8Very low104 Ų104137.5 Ų137.586%0.8678%0.779SS**PPolyproline II helixtrans-64.5118.2-177.800000111.7G329G329-A331 PolarHBondContact O-N 3.35Å
332K33Very low36.1Very low190 Ų190141.5 Ų141.583%0.82680%0.804SS**  trans-94.396.7169.2-72.8-171.3176.9-177.40110.1P330 T334P330-K332 PolarHBondContact O-N 2.98Å; K332-T334 HydrophobicContact CB-CG2 4.33Å; K332-T334 PolarHBondContact O-N 3.1Å; K332-T334 VanDerWaalsContact O-N 3.14Å
333S30.8Very low35.3Very low125 Ų125137.5 Ų137.587%0.87480%0.8SS**  trans-66.5104.2168.6510000110.5
334T32.9Very low35Very low117 Ų117138.4 Ų138.472%0.71880%0.8SS**  trans-131.197.1169.3114.50000109.3K332 R336K332-T334 HydrophobicContact CB-CG2 4.33Å; K332-T334 PolarHBondContact O-N 3.1Å; K332-T334 VanDerWaalsContact O-N 3.14Å; T334-R336 PolarHBondContact O-N 2.87Å
335T35.6Very low34.3Very low141 Ų141141.9 Ų141.987%0.86580%0.803SS**  trans-76.9107.7173.632.90000109.6R337T335-R337 PolarHBondContact O-N 3.33Å; T335-R337 VanDerWaalsContact O-N 3.1Å
336R33.2Very low34Very low244 Ų244144.6 Ų144.692%0.92181%0.813SS**  trans-62112171.8-78.4179.4168.6176.2-2.7110.1T334T334-R336 PolarHBondContact O-N 2.87Å
337R36.6Very low33.8Very low238 Ų238144.9 Ų144.990%0.89882%0.816SS**  trans-129.5114.2159.1-150.5173.1-159.9-111.21.8110.1T335T335-R337 PolarHBondContact O-N 3.33Å; T335-R337 VanDerWaalsContact O-N 3.1Å
338R37.1Very low33.7Very low247 Ų247144 Ų14493%0.93282%0.821SS**  trans-75133.7176.7-62.7174.9177.8166.5-2.9109.6
339K32.6Very low33.5Very low213 Ų213144.3 Ų144.393%0.92683%0.826SS**  trans-150.3149.4149-144.3176.8-178.3-171.40108.5
340A29.2Very low33.4Very low92 Ų92149.1 Ų149.176%0.7684%0.837SS**  trans-102.6160-167.600000113.3
341S33.1Very low33.2Very low113 Ų113147.4 Ų147.479%0.7984%0.839SS**  trans-64.8159.7157.9-420000110.5
342P46.3Very low33.2Very low130 Ų130153.3 Ų153.384%0.84484%0.839SS**  -125176.671.229.4-13.5000112.6
343G26.8Very low33.6Very low71 Ų71148.8 Ų148.873%0.73283%0.829SS**  cis127116.1-0.800000112.5
344S35.6Very low33.4Very low120 Ų120149.3 Ų149.384%0.83982%0.822SS**  trans-171.1170.6170.749.50000110.7
345E31.6Very low33.3Very low155 Ų155151.7 Ų151.772%0.72483%0.825SS**  trans-124.7177.8-15666.7-1115400118.3
346N31.1Very low33Very low160 Ų160150.1 Ų150.186%0.85682%0.819SS**  trans75.2140.5163.3-61.6-20.8000120.1
347G32.4Very low32.7Very low86 Ų86143.1 Ų143.189%0.88781%0.814SS**  trans149.287.8172.500000113.6
348E32.1Very low32.2Very low191 Ų191141.8 Ų141.889%0.89381%0.809SS**  trans-108.1135.2-177.6-179.6177.185.200112
349S31.1Very low31.7Very low124 Ų124137 Ų13787%0.86780%0.797SS**  trans179.8158150.225.50000112.4
350D31.2Very low31.3Very low162 Ų162131.8 Ų131.887%0.86679%0.788SS**  trans-87.9157.4-171.4-149-56.6000113.6
351G31.3Very low31.1Very low72 Ų72139.1 Ų139.174%0.74280%0.796SS**  trans-177.6101.2-175.400000114
352R33.3Very low30.8Very low229 Ų229137.8 Ų137.886%0.86479%0.791SS**  trans-84.6174.6-173.3-119.7-169.1107.1-1134113.5
353P42.1Very low29.9Very low94 Ų94142.9 Ų142.961%0.6179%0.794SS**  -125.7-177.8-114.843.9-28.4000114.6
354D26.5Very low29.9Very low137 Ų137143.8 Ų143.873%0.73379%0.789SS**  160.6179.7122.6-165.223.8000111.1
355H30.9Very low29.6Very low166 Ų166141.7 Ų141.777%0.76978%0.779SS**  trans79124.7-175.9-61.3-63.2000115.4
356S28.8Very low29.5Very low108 Ų108144 Ų14476%0.75578%0.782SS**  cis-149.3146.5-6.7-84.60000110.4
357A27.3Very low29.3Very low98 Ų98142.9 Ų142.981%0.8178%0.782SS**  trans-129.6136.1177.800000112.7
358R25.5Very low29Very low210 Ų210145.1 Ų145.179%0.79277%0.769SS**  trans80.4117.9143.2-155.2167.6-163.2-1741121.2
359E27.7Very low29.7Very low145 Ų145141.6 Ų141.668%0.67876%0.763SS**  trans12.8137134.4-39.4166.6110.200120
360S22.5Very low29.9Very low105 Ų105142.2 Ų142.273%0.73476%0.755SS**  175.6163.9117.9-78.60000115.1
361W25.3Very low30.9Very low246 Ų246139.8 Ų139.893%0.93275%0.749SS**  trans-58.5174.2-179.5-47.7-67.6000115.2
362A27.1Very low30.8Very low84 Ų84139.2 Ų139.269%0.69474%0.743SS**  cis-174.9177.934.600000113.6
363R27.1Very low30.8Very low237 Ų237136.6 Ų136.689%0.89474%0.743SS**  trans41.4151.6146.7-68.3179.4-170.1175.93.6120.8
364S28.2Very low30.1Very low91 Ų91137.1 Ų137.164%0.63675%0.754SS**  cis-163.9164.8-7.9-91.60000106.5
365A28Very low30.3Very low75 Ų75134.9 Ų134.962%0.6276%0.755SS**  166135.197.500000112.9
366Y29.3Very low31.1Very low203 Ų203132.4 Ų132.480%0.79675%0.754SS**  trans27.4141148.8-30.5-60.6000121.2
367T27.1Very low31Very low138 Ų138134.9 Ų134.985%0.84775%0.753SS**  -169160.661.1-55.90000112.5
368E26.9Very low31Very low133 Ų133138.8 Ų138.862%0.62176%0.755SS**  trans-137.6154.6176.8-146.3-89.7129.600108.7L370E368-L370 WeakPolarHBondContact OE1-CD1 3.03Å; E368-L370 PolarHBondContact OE1-N 2.76Å; E368-L370 PolarHBondContact OE2-N 3Å
369P46.2Very low31Very low116 Ų116132 Ų13275%0.75375%0.751SS**  -154.1146.711137.6-18.6000118.8
370L35.2Very low32.4Very low137 Ų137131.1 Ų131.172%0.71776%0.757SS**  trans-74.8-164.8162.5-123.479.2000112.4E368E368-L370 WeakPolarHBondContact OE1-CD1 3.03Å; E368-L370 PolarHBondContact OE1-N 2.76Å; E368-L370 PolarHBondContact OE2-N 3Å
371P52.8Low33.3Very low111 Ų111132.3 Ų132.372%0.72176%0.762SS**  cis-149172.520.844.2-23.2000120.9
372G28.1Very low33.6Very low60 Ų60131.5 Ų131.562%0.61976%0.759SS**  trans94.6156.913900000120.1
373M34.6Very low33.6Very low175 Ų175134.7 Ų134.786%0.86276%0.764SS**  cis-159.5163.9-9.8-83.9-52.217700111.8
374A27.3Very low33.8Very low104 Ų104132.5 Ų132.586%0.8676%0.763SS**  trans81.7150.9151.500000123
375A31.4Very low33.8Very low91 Ų91132.4 Ų132.475%0.75276%0.762SS**  trans-139.5167.3165.600000106.4
376P46.2Very low34Very low113 Ų113136 Ų13673%0.73477%0.766SS**  -158-170.459.544.9-22.9000117.9
377Q28.3Very low34.4Very low160 Ų160132.3 Ų132.375%0.74877%0.768SS**  trans76.6138.8149.5-74.7-150.3-94.100124.8
378E26.1Very low34.8Very low181 Ų181129.8 Ų129.885%0.84676%0.756SS**  trans70.4176.3147.2-71.2-170.9123.300122.1
379G26.6Very low35.7Very low68 Ų68129 Ų12970%0.70176%0.762SS**  trans-114.6-162.8-141.600000118.1
380P55.5Low35Very low126 Ų126131.1 Ų131.182%0.81877%0.765SS**  trans-97.7168-150.639.8-39.7000115.2
381P41.1Very low35Very low129 Ų129130 Ų13084%0.83877%0.769SS**  -144.8-173.299.238.7-22.9000115.4
382R33.6Very low34.3Very low230 Ų230128.9 Ų128.987%0.86877%0.769SS**  trans-85.1155.8177-60.4173.2174.4-104.76.1112.5
383L26.7Very low35Very low150 Ų150134.1 Ų134.179%0.78578%0.782SS**  162123.9119.9-90.3160.9000114.2
384H30.2Very low35Very low192 Ų192135.2 Ų135.289%0.88979%0.787SS**  trans-166.4164130.5-113.972.4000112.3
385S27.9Very low35.2Very low88 Ų88133.6 Ų133.662%0.61578%0.78SS**  trans-146.9140.4-158-55.40000114.9
386Q33.9Very low35.3Very low150 Ų150135.8 Ų135.870%0.70178%0.784SS**  trans68.8156141.9-76.4-65.4-28.100117.5S388Q386-S388 PolarHBondContact OE1-OG 3.17Å
387P36.2Very low34.4Very low127 Ų127136 Ų13683%0.82578%0.784SS**  -135.4169.759.635.3-15000118.3
388S35.4Very low34.6Very low85 Ų85134.7 Ų134.759%0.59478%0.782SS**  trans-118.8169.2175.2-54.80000111.6Q386Q386-S388 PolarHBondContact OE1-OG 3.17Å
389P45.5Very low34.7Very low117 Ų117130.3 Ų130.376%0.7677%0.771SS**  -129.6146.5118.35.816.5000112.1
390I32.8Very low34.8Very low159 Ų159134.9 Ų134.982%0.81578%0.779SS**  69.3125.759.9-60.8167.6000110.8
391S35.3Very low33.4Very low115 Ų115134.3 Ų134.380%0.80478%0.777SS**  cis-148.5-173.312.2-139.50000109.9
392A36.9Very low32.7Very low87 Ų87133.3 Ų133.372%0.71977%0.774SS**  cis-153.3176.716.100000113
393L43.4Very low32.4Very low169 Ų169126.9 Ų126.989%0.88576%0.764SS**  trans-118.7134.8176.4-72.6165.7000112.6
394M33.8Very low32.5Very low199 Ų199127.5 Ų127.598%0.9876%0.763SS**  trans-155.8154161.7-70.7-67.3-178.500105.7
395G32.9Very low32.5Very low69 Ų69124.7 Ų124.771%0.71175%0.752SS**  cis-165.2-175.8-2.700000107.7
396V33.8Very low33Very low137 Ų137126.7 Ų126.783%0.8376%0.762SS**  trans-134.6150.4-162.9-148.50000115
397T26.4Very low33Very low118 Ų118130.4 Ų130.472%0.72477%0.77SS**  trans85.9150.6158.274.90000122.6
398D32.4Very low32.5Very low133 Ų133131.9 Ų131.971%0.71177%0.771SS**  trans82.5115.2140.9-87.3-68.2000126.8
399S27.4Very low32.2Very low88 Ų88133.1 Ų133.162%0.61578%0.78SS**  60.6114.8121.5-66.40000126.2
400L30.1Very low32.4Very low165 Ų165134 Ų13486%0.86479%0.785SS**  70.1123.8125.1-63175.4000124.1
401S25.9Very low32.2Very low113 Ų113129.5 Ų129.579%0.7978%0.778SS**  trans101.5145130.9-145.50000122
402S25.5Very low32.3Very low109 Ų109133 Ų13376%0.76278%0.784SS**  trans64153.1173.4-93.70000117.8
403S27.3Very low32Very low95 Ų95134.4 Ų134.466%0.66479%0.789SS**  cis-169.6174.7-8.2-1070000107.9
404Q30Very low31.4Very low162 Ų162130.5 Ų130.576%0.75778%0.781SS**  cis-150.5-144.14.5-134.7-176.130.900111.7
405M30.8Very low31.3Very low134 Ų134124.7 Ų124.766%0.6676%0.764SS**  trans-106.1179.2178.963.4-93.9159.800114.3
406P38.1Very low31.4Very low129 Ų129130.2 Ų130.284%0.83877%0.771SS**  -136.8176.392.927.7-8.4000115.7
407R33.8Very low31.2Very low228 Ų228129.2 Ų129.286%0.8677%0.77SS**  trans-110.9168.8177.6-65.3-179.4170.5-160.9-0.7111.3
408D25.1Very low31.5Very low159 Ų159129.1 Ų129.185%0.8578%0.775SS**  -163.2167.3117.6-110-36.6000114.1
409S29.8Very low31.4Very low111 Ų111128 Ų12878%0.77678%0.783SS**  trans-163.7145.4-179.7-61.70000113.6
410P48.1Very low31.6Very low135 Ų135128.8 Ų128.888%0.87780%0.796SS**  -146.5-179.6111.337.8-22.3000113.2
411G29Very low31.5Very low64 Ų64124.3 Ų124.366%0.6679%0.789SS**  cis143.6141.5-9.300000114.1
412M37.5Very low31.8Very low190 Ų190130.1 Ų130.194%0.93679%0.794SS**  trans63.8143.2171.392.5-175.6164.800117.9
413S31.2Very low32Very low116 Ų116129.8 Ų129.881%0.81179%0.791SS**  cis-143.5-174.6-1.5-76.60000108.1
414A30.3Very low32.1Very low87 Ų87132.5 Ų132.572%0.71980%0.804SS**  cis-143.7-175.410.300000108.2
415A32.8Very low32.3Very low76 Ų76130.1 Ų130.163%0.62881%0.805SS**  cis69.8132.726.600000115.4
416H34.3Very low32.4Very low185 Ų185129.5 Ų129.586%0.85681%0.814SS**  cis-124.9-158.54-61.2-98.8000109.8
417S29.4Very low32Very low116 Ų116128.7 Ų128.781%0.81181%0.812SS**  cis-158.3-169.37.3-159.10000111.6
418S32.5Very low32.7Very low117 Ų117123.4 Ų123.482%0.81881%0.806SS**  trans-144.1155.9-165.5-43.30000115.1
419A31.2Very low32.9Very low108 Ų108120.7 Ų120.789%0.89380%0.8SS**  trans-176.2159.5143.900000115
420A31.2Very low32.9Very low106 Ų106121.9 Ų121.988%0.87680%0.803SS**  trans-93.3176.8177.900000113
421G28.4Very low32Very low70 Ų70119.9 Ų119.972%0.72280%0.798SS**  cis151.4174-7.900000114.2
422R31.7Very low32.1Very low236 Ų236121.6 Ų121.689%0.89180%0.799SS**  trans7093.5163.3-50.8-171.480.9-149.56121.6
423S29.8Very low31.8Very low101 Ų101119.2 Ų119.271%0.70680%0.796SS**  34.9129.7122.463.30000123.7
424T29.1Very low31.9Very low153 Ų153118.8 Ų118.894%0.93979%0.793SS**  trans-150.5174.4142.341.70000111.7
425S33.8Very low32Very low112 Ų112118.9 Ų118.978%0.78379%0.794SS**  trans-138.4147.4-164.856.90000114
426S32.5Very low32.1Very low121 Ų121120 Ų12085%0.84680%0.797SS**  trans174.9163.5137.254.70000114.5
427S30.1Very low32Very low112 Ų112120.6 Ų120.678%0.78380%0.8SS**  trans-117-168.6169.7-44.80000108.3
428P49.8Very low32.2Very low116 Ų116119.9 Ų119.975%0.75380%0.801SS**  cis-142-178.81.743.3-23.2000117.8
429S29.3Very low32.2Very low102 Ų102119.2 Ų119.271%0.71380%0.803SS**  trans4.5140.4152.7-45.90000123.6
430T29.3Very low32.4Very low136 Ų136123.3 Ų123.383%0.83481%0.806SS**  166.8152.7104.237.40000114.6
431A29.5Very low32.4Very low93 Ų93121.3 Ų121.377%0.76980%0.795SS**  trans42.3158.6146.200000122.8
432S29.8Very low32.6Very low100 Ų100127.7 Ų127.770%0.69981%0.806SS**  cis-175.9157.3-23.1-88.30000109.2
433T31.7Very low32.5Very low141 Ų141120.1 Ų120.187%0.86580%0.801SS**  trans63.5156.6158.939.50000118.6
434S33.2Very low32.7Very low106 Ų106124.5 Ų124.574%0.74181%0.813SS**  cis-168.1168.4-6.4420000112.2
435A33Very low32.9Very low90 Ų90122.9 Ų122.974%0.74481%0.808SS**  trans76.3155.2165.100000116.6
436S34.4Very low32.8Very low98 Ų98122.2 Ų122.269%0.68581%0.809SS**  cis-147.7139.121.7-61.80000116.5
437Q33Very low32.9Very low198 Ų198123.2 Ų123.293%0.92581%0.81SS**  trans65.1170.3137.3-62.817843.500121
438A33.5Very low33Very low102 Ų102120.9 Ų120.984%0.84380%0.804SS**  trans-148.4167.5-165.300000112.4
439A31.3Very low32.9Very low102 Ų102121.9 Ų121.984%0.84381%0.81SS**  trans-144.5161.4168.500000110.8
440M35.6Very low33.4Very low195 Ų195122.8 Ų122.896%0.96182%0.817SS**  trans-132.1155.4-167.8-69.2-89.8-168.100112.5
441G30.8Very low33.4Very low63 Ų63120.1 Ų120.165%0.64982%0.816SS**  trans127.6119.5136.700000119.6
442Q33Very low33.9Very low204 Ų204122.9 Ų122.995%0.95382%0.818SS**  trans61147.6136.4-54.5169.99.100119.6
443G30.8Very low34Very low77 Ų77123 Ų12379%0.79482%0.824SS**  cis135.399.7-12.400000115.3
444M32.7Very low34.3Very low194 Ų194123.1 Ų123.196%0.95682%0.82SS**  trans-164.6-178158.657.5177.3172.900112.8
445S33.8Very low34.4Very low119 Ų119125.3 Ų125.383%0.83283%0.829SS**  trans-136.1176-145.7-50.40000116.9
446A32.7Very low34.3Very low97 Ų97125 Ų12580%0.80284%0.835SS**  trans75.5154.4173.700000115.2
447V33.9Very low34.3Very low143 Ų143129.4 Ų129.487%0.86785%0.845SS**  cis-135.716121.3170.50000110.7
448G32.1Very low34.2Very low63 Ų63125.3 Ų125.365%0.64984%0.837SS**  trans-130-179.7167.400000112.7
449P48.6Very low34.5Very low136 Ų136127.5 Ų127.588%0.88384%0.841SS**  trans-130.4157148.237.1-26.4000113.2
450S38.2Very low34.7Very low122 Ų122127.5 Ų127.585%0.85384%0.835SS**  trans-106.7160.8-177.9-55.90000112.9
451G30Very low34.9Very low79 Ų79123.3 Ų123.381%0.81483%0.825SS**  trans-157.6110166.100000110.9
452N39.3Very low35.1Very low152 Ų152126.6 Ų126.681%0.81383%0.832SS**  trans-103.1143.4-175.3-74.117.8000112.6
453A32.4Very low35.2Very low101 Ų101125.5 Ų125.584%0.83583%0.827SS**  trans-157.5140.1144.300000110.2
454N38Very low35.8Very low144 Ų144124.3 Ų124.377%0.7782%0.815SS**  trans-93148.6179.5-69.33.4000111.8
455T34.5Very low36.8Very low153 Ų153121.2 Ų121.294%0.93981%0.807SS**  151.9143.2121.845.30000111.2
456G31.9Very low38.5Very low84 Ų84120.9 Ų120.987%0.86680%0.795SS**  trans14197.8179.300000112.2
457E35.3Very low40.9Very low190 Ų190119 Ų11989%0.88877%0.772SS**  trans-93.4130.1-176.6177.6178.7101.300111.5
458S29.8Very low43.7Very low111 Ų111114.8 Ų114.878%0.77675%0.748SS**  trans174.4104.9144.2-82.60000112.1
459T40.5Very low46.6Very low148 Ų148111.9 Ų111.991%0.90872%0.717SS**  trans-90.6104.7162.446.80000110.2
460S34.4Very low48.7Very low103 Ų103108 Ų10872%0.7269%0.691SS**  trans-110.887.9170.658.70000110.5T462S460-T462 PolarHBondContact O-N 3.14Å
461S39.8Very low51.3Low107 Ų107105.8 Ų105.875%0.74867%0.669SS**  trans-78.178.1-176.956.70000113Q463S461-Q463 VanDerWaalsContact C-N 3.35Å; S461-Q463 PolarHBondContact O-N 3.2Å; S461-Q463 VanDerWaalsContact O-N 3.11Å
462T35Very low54.3Low131 Ų131104.2 Ų104.280%0.80465%0.645SS**  trans-85.176.4173.3-38.70000110.4S460 G464S460-T462 PolarHBondContact O-N 3.14Å; T462-G464 PolarHBondContact O-N 3.1Å
463Q36Very low56.8Low181 Ų181106.4 Ų106.485%0.84664%0.642SS**  trans-72.476.4171.9-72.8-171.6-7.600110.8S461 T465S461-Q463 VanDerWaalsContact C-N 3.35Å; S461-Q463 PolarHBondContact O-N 3.2Å; S461-Q463 VanDerWaalsContact O-N 3.11Å; Q463-T465 PolarHBondContact O-N 2.75Å
464G42.5Very low59.6Low53 Ų53107.6 Ų107.655%0.54663%0.631SS.*  trans-56126.1153.500000107.8T462 L466T462-G464 PolarHBondContact O-N 3.1Å; G464-L466 VanDerWaalsContact C-N 3.31Å; G464-L466 PolarHBondContact O-N 2.89Å
465T55.3Low62.1Low129 Ų129108.5 Ų108.579%0.79162%0.623SS**  trans-70.685.9-171.453.30000110.5Q463 L467Q463-T465 PolarHBondContact O-N 2.75Å; T465-L467 PolarHBondContact O-N 2.89Å; T465-L467 VanDerWaalsContact O-N 3.13Å
466L67.6Low64.7Low112 Ų112101.4 Ų101.459%0.58658%0.579SS**  trans-54.4119.8-178.4-64-179.6000109.7G464 C468G464-L466 VanDerWaalsContact C-N 3.31Å; G464-L466 PolarHBondContact O-N 2.89Å; L466-C468 PolarHBondContact O-N 2.9Å; L466-C468 VanDerWaalsContact O-N 3.16Å
467L84.6Confident67Low57 Ų57103.2 Ų103.230%0.29857%0.566SS.*  trans-68.8112.1173.8-59.9-175.6000107.4T465 L476 F481 K491T465-L467 PolarHBondContact O-N 2.89Å; T465-L467 VanDerWaalsContact O-N 3.13Å; L467-L476 HydrophobicContact CB-CB 4.15Å; L467-L476 HydrophobicContact CB-CD1 4.24Å; L467-L476 WeakPolarHBondContact O-CB 3.44Å; L467-L476 PolarHBondContact O-N 3.47Å; L467-F481 HydrophobicContact CD1-CE1 4.24Å; L467-F481 HydrophobicContact CD1-CZ 4.07Å; L467-K491 HydrophobicContact CD2-CD 4.13Å
468C91.8Very high68.3Low54 Ų5499.8 Ų99.837%0.36555%0.553SS.*BIsolated β-bridgetrans-117149.8177.7-66.10000111L466 T470 E474L466-C468 PolarHBondContact O-N 2.9Å; L466-C468 VanDerWaalsContact O-N 3.16Å; C468-T470 PolarHBondContact O-N 3.11Å; C468-E474 CarbonylContact C-O 3.45Å; C468-E474 VanDerWaalsContact CA-O 3.26Å; C468-E474 WeakPolarHBondContact CA-O 3.42Å
469C93.1Very high70.3Confident2 Ų299.7 Ų99.71%0.01455%0.548CS..  trans-66.4128.8176.4-176.40000110.6L471 C472 R473 E474 L476 K491 C493C469-L471 PolarHBondContact O-N 3.3Å; C469-L471 VanDerWaalsContact O-N 3.14Å; C469-C472 WeakPolarHBondContact CB-SG 3.43Å; C469-C472 PolarHBondContact SG-SG 2.87Å; C469-R473 WeakPolarHBondContact O-CA 3.29Å; C469-R473 PolarHBondContact O-N 2.78Å; C469-E474 PolarHBondContact N-O 3.04Å; C469-L476 HydrophobicContact CB-CD2 3.76Å; C469-K491 CarbonylContact C-O 3.51Å; C469-K491 WeakPolarHBondContact CA-O 3.35Å; C469-C493 HydrophobicContact CB-CB 4.4Å; C469-C493 PolarHBondContact SG-N 3.06Å; C469-C493 VanDerWaalsContact SG-N 3.4Å
470T93.5Very high72.3Confident54 Ų5497.4 Ų97.433%0.33153%0.527SS..THydrogen-bonded Turntrans-60.2-25.7177.2-45.50000112.4C468 H489 H490 K491 F492C468-T470 PolarHBondContact O-N 3.11Å; T470-H489 PolarHBondContact OG1-O 2.97Å; T470-H490 WeakPolarHBondContact OG1-CA 3.32Å; T470-K491 PolarHBondContact N-O 3.13Å; T470-K491 PolarHBondContact OG1-N 3.29Å; T470-K491 PolarHBondContact OG1-O 2.77Å; T470-K491 VanDerWaalsContact OG1-O 3.09Å; T470-F492 HydrophobicContact CG2-CE1 4.47Å
471L93Very high75Confident76 Ų7694.7 Ų94.740%0.39850%0.502SS..THydrogen-bonded Turntrans-91.4-63.1-177.2-66.2169.1000112.9C469 F492 C496 P513C469-L471 PolarHBondContact O-N 3.3Å; C469-L471 VanDerWaalsContact O-N 3.14Å; L471-F492 HydrophobicContact CD1-CD1 3.68Å; L471-F492 HydrophobicContact CD1-CE1 4.14Å; L471-F492 HydrophobicContact CG-CD1 3.84Å; L471-F492 HydrophobicContact CG-CE1 4.06Å; L471-C496 HydrophobicContact CB-CB 4.15Å; L471-C496 HydrophobicContact CD1-CB 3.77Å; L471-P513 HydrophobicContact CD1-CB 4.05Å
472C92.6Very high77.5Confident46 Ų4690.5 Ų90.531%0.31147%0.472SS..THydrogen-bonded Turntrans-86.9-11.4-178.858.20000114.8C469 E474C469-C472 WeakPolarHBondContact CB-SG 3.43Å; C469-C472 PolarHBondContact SG-SG 2.87Å; C472-E474 HydrophobicContact CB-CG 4.05Å; C472-E474 PolarHBondContact O-N 2.83Å; C472-E474 VanDerWaalsContact O-N 3.08Å; C472-E474 PolarHBondContact SG-OE2 2.96Å
473R91.4Very high80.3Confident199 Ų19988.5 Ų88.575%0.75145%0.454SS*.  trans60.33.4-172.8-60-169.9178.384.51.3116.5C469C469-R473 WeakPolarHBondContact O-CA 3.29Å; C469-R473 PolarHBondContact O-N 2.78Å
474E90.5Very high83Confident126 Ų12679.9 Ų79.959%0.58941%0.413SS*.PPolyproline II helixtrans-63.6153.7170.2-59.9170.214500111.1C468 C469 C472C468-E474 CarbonylContact C-O 3.45Å; C468-E474 VanDerWaalsContact CA-O 3.26Å; C468-E474 WeakPolarHBondContact CA-O 3.42Å; C469-E474 PolarHBondContact N-O 3.04Å; C472-E474 HydrophobicContact CB-CG 4.05Å; C472-E474 PolarHBondContact O-N 2.83Å; C472-E474 VanDerWaalsContact O-N 3.08Å; C472-E474 PolarHBondContact SG-OE2 2.96Å
475R90.6Very high85.3Confident163 Ų16381.1 Ų81.162%0.61541%0.412SS*.BIsolated β-bridgetrans-63.8136.6174.6176.9174.1175.3159.50.3110.1
476L90.1Very high86.9Confident3 Ų376.6 Ų76.62%0.01639%0.385CS..PPolyproline II helixtrans-85.2138.3171.2-57.8174.2000109.5L467 C469 F481 K491 C493L467-L476 HydrophobicContact CB-CB 4.15Å; L467-L476 HydrophobicContact CB-CD1 4.24Å; L467-L476 WeakPolarHBondContact O-CB 3.44Å; L467-L476 PolarHBondContact O-N 3.47Å; C469-L476 HydrophobicContact CB-CD2 3.76Å; L476-F481 HydrophobicContact CB-CB 4.24Å; L476-F481 HydrophobicContact CB-CD1 4.3Å; L476-F481 HydrophobicContact CB-CG 4.38Å; L476-F481 HydrophobicContact CD1-CB 3.83Å; L476-F481 HydrophobicContact CD1-CD2 4.05Å; L476-F481 HydrophobicContact CD1-CG 3.9Å; L476-F481 HydrophobicContact CD2-CB 3.91Å; L476-F481 HydrophobicContact CG-CB 4.2Å; L476-K491 HydrophobicContact CD1-CB 3.54Å; L476-K491 HydrophobicContact CD1-CD 4.1Å; L476-K491 HydrophobicContact CD1-CG 4.48Å; L476-C493 HydrophobicContact CD2-CB 3.66Å
477E79.9Confident88Confident123 Ų12373.1 Ų73.158%0.57537%0.368SS*.PPolyproline II helixtrans-75.8142.7165-62.5173.9179.600109T479 H480 F481E477-T479 PolarHBondContact O-N 2.78Å; E477-H480 HydrophobicContact CB-CB 4.3Å; E477-H480 PolarHBondContact O-N 3.11Å; E477-H480 VanDerWaalsContact O-N 3.1Å; E477-H480 IonicContact OE2-CE1 3.52Å; E477-H480 IonicContact OE2-CG 2.76Å; E477-H480 IonicContact OE2-ND1 3.63Å; E477-H480 PolarHBondContact OE2-ND1 3.32Å; E477-F481 WeakPolarHBondContact O-CD1 3.37Å
478D62.2Low88.2Confident118 Ų11874.2 Ų74.263%0.63138%0.379SS*.THydrogen-bonded Turntrans-64.2-8.2-161.9-53.8-86000115.2
479T71.3Confident88.1Confident109 Ų10979.3 Ų79.367%0.66940%0.397SS*.THydrogen-bonded Turntrans-126.5-7.3176.155.40000115.6E477E477-T479 PolarHBondContact O-N 2.78Å
480H82.4Confident88.1Confident99 Ų9980.2 Ų80.246%0.45840%0.401SS..SBendtrans-112.344.7-168.5-59.3139.8000114.2E477 F494E477-H480 HydrophobicContact CB-CB 4.3Å; E477-H480 PolarHBondContact O-N 3.11Å; E477-H480 VanDerWaalsContact O-N 3.1Å; E477-H480 IonicContact OE2-CE1 3.52Å; E477-H480 IonicContact OE2-CG 2.76Å; E477-H480 IonicContact OE2-ND1 3.63Å; E477-H480 PolarHBondContact OE2-ND1 3.32Å; H480-F494 WeakPolarHBondContact O-CD1 3.5Å
481F91.8Very high88.1Confident47 Ų4779.3 Ų79.321%0.20639%0.393CS..EExtended strand (participates in β ladder)trans-137.6153.717869.7-82.6000112.6L467 L476 E477 Q483 K491 F492L467-F481 HydrophobicContact CD1-CE1 4.24Å; L467-F481 HydrophobicContact CD1-CZ 4.07Å; L476-F481 HydrophobicContact CB-CB 4.24Å; L476-F481 HydrophobicContact CB-CD1 4.3Å; L476-F481 HydrophobicContact CB-CG 4.38Å; L476-F481 HydrophobicContact CD1-CB 3.83Å; L476-F481 HydrophobicContact CD1-CD2 4.05Å; L476-F481 HydrophobicContact CD1-CG 3.9Å; L476-F481 HydrophobicContact CD2-CB 3.91Å; L476-F481 HydrophobicContact CG-CB 4.2Å; E477-F481 WeakPolarHBondContact O-CD1 3.37Å; F481-Q483 HydrophobicContact CD2-CB 4.32Å; F481-Q483 HydrophobicContact CE2-CB 4.05Å; F481-K491 HydrophobicContact CD2-CB 4.17Å; F481-K491 HydrophobicContact CD2-CD 4.19Å; F481-K491 HydrophobicContact CD2-CG 4.28Å; F481-K491 HydrophobicContact CE2-CD 3.86Å; F481-K491 HydrophobicContact CE2-CG 4.25Å; F481-F492 CarbonylContact C-O 3.51Å; F481-F492 VanDerWaalsContact CA-O 3.29Å; F481-F492 WeakPolarHBondContact CA-O 3.43Å; F481-F492 WeakPolarHBondContact CB-O 3.34Å
482V92.9Very high88.2Confident19 Ų1975.7 Ų75.712%0.11537%0.374CS..EExtended strand (participates in β ladder)trans-98130170.2177.20000108.4K491 F492 F494 T497 W527 F529 I537V482-K491 CarbonylContact O-C 3.57Å; V482-K491 WeakPolarHBondContact O-CA 3.35Å; V482-F492 PolarHBondContact N-O 2.9Å; V482-F492 PolarHBondContact O-N 3.44Å; V482-F494 HydrophobicContact CG2-CD1 4.26Å; V482-F494 HydrophobicContact CG2-CE1 3.98Å; V482-T497 HydrophobicContact CG2-CG2 4.18Å; V482-W527 HydrophobicContact CG1-CH2 3.81Å; V482-W527 HydrophobicContact CG1-CZ2 4.25Å; V482-F529 HydrophobicContact CB-CE1 4.47Å; V482-F529 HydrophobicContact CG1-CE1 3.68Å; V482-F529 HydrophobicContact CG1-CZ 3.89Å; V482-F529 HydrophobicContact CG2-CE1 4.14Å; V482-I537 HydrophobicContact CG2-CD1 3.86Å
483Q92.8Very high88.2Confident89 Ų8974.1 Ų74.142%0.41636%0.363SS..EExtended strand (participates in β ladder)trans-110.8136.9172178.3173.7-42.400110.5F481 H490 K491F481-Q483 HydrophobicContact CD2-CB 4.32Å; F481-Q483 HydrophobicContact CE2-CB 4.05Å; Q483-H490 WeakPolarHBondContact CA-O 3.19Å; Q483-K491 HydrophobicContact CB-CG 4.34Å; Q483-K491 HydrophobicContact CG-CG 4.17Å
484C92.8Very high88.3Confident0 Ų067.1 Ų67.10%034%0.339CS..  trans-67.9129170.7-176.40000110.3S486 H490 W527C484-S486 PolarHBondContact O-N 2.96Å; C484-H490 HydrophobicContact CB-CB 3.53Å; C484-H490 PolarHBondContact N-O 2.85Å; C484-W527 HydrophobicContact CB-CE3 4.14Å; C484-W527 HydrophobicContact CB-CZ3 3.82Å; C484-W527 VanDerWaalsContact SG-CE3 3.59Å
485P90.3Very high88.4Confident79 Ų7965.1 Ų65.151%0.51334%0.336SS..SBendtrans-66.5-23.5177.927.9-35.1000112.9L520 W527P485-L520 HydrophobicContact CB-CD2 4.46Å; P485-L520 HydrophobicContact CG-CD2 3.75Å; P485-W527 VanDerWaalsContact CD-CD2 3.41Å; P485-W527 HydrophobicContact CG-CB 4.2Å; P485-W527 HydrophobicContact CG-CD2 3.89Å; P485-W527 HydrophobicContact CG-CG 3.68Å
486S88.8Confident88.5Confident33 Ų3358.7 Ų58.723%0.23132%0.316CS..SBendtrans-92.3-29.9-175.7-46.70000114.1C484 P519C484-S486 PolarHBondContact O-N 2.96Å; S486-P519 WeakPolarHBondContact CB-O 3.34Å; S486-P519 VanDerWaalsContact OG-C 3.3Å; S486-P519 PolarHBondContact OG-O 3.39Å
487V91.5Very high88.6Confident39 Ų3958.5 Ų58.524%0.23632%0.315CS..  trans-129.9100.5-172.7-1780000109H489 H490 C518V487-H489 HydrophobicContact CG1-CB 4.45Å; V487-H489 PolarHBondContact O-N 3.38Å; V487-H490 HydrophobicContact CB-CB 4.18Å; V487-H490 HydrophobicContact CG1-CB 4.28Å; V487-H490 WeakPolarHBondContact O-CB 3.2Å; V487-H490 PolarHBondContact O-N 3.27Å; V487-C518 HydrophobicContact CG2-CB 4.38Å
488P88.8Confident89.2Confident81 Ų8154.6 Ų54.653%0.52630%0.295SS..THydrogen-bonded Turntrans-59.2-18.8-175.8-2836.2000115.6K491P488-K491 PolarHBondContact O-NZ 3.13Å
489H89.8Confident90.5Very high161 Ų16151.9 Ų51.975%0.74529%0.289SS*.THydrogen-bonded Turntrans-85.8-13176.9-61.3-75.9000114T470 V487 K491T470-H489 PolarHBondContact OG1-O 2.97Å; V487-H489 HydrophobicContact CG1-CB 4.45Å; V487-H489 PolarHBondContact O-N 3.38Å; H489-K491 PolarHBondContact O-N 3.19Å
490H93Very high91.5Very high21 Ų2148.6 Ų48.610%0.09727%0.265CS..  trans-85.198.1174.2-72.5168.9000109.4T470 Q483 C484 V487 F492 S514 E516T470-H490 WeakPolarHBondContact OG1-CA 3.32Å; Q483-H490 WeakPolarHBondContact CA-O 3.19Å; C484-H490 HydrophobicContact CB-CB 3.53Å; C484-H490 PolarHBondContact N-O 2.85Å; V487-H490 HydrophobicContact CB-CB 4.18Å; V487-H490 HydrophobicContact CG1-CB 4.28Å; V487-H490 WeakPolarHBondContact O-CB 3.2Å; V487-H490 PolarHBondContact O-N 3.27Å; H490-F492 HydrophobicContact CB-CE2 3.8Å; H490-F492 HydrophobicContact CB-CZ 3.66Å; H490-S514 PolarHBondContact CE1-OG 3.06Å; H490-S514 VanDerWaalsContact CE1-OG 3.27Å; H490-S514 PolarHBondContact ND1-OG 2.74Å; H490-E516 IonicContact CE1-OE2 3.32Å; H490-E516 PolarHBondContact CE1-OE2 3.48Å
491K93.9Very high91.9Very high34 Ų3444.3 Ų44.315%0.14825%0.246CC..EExtended strand (participates in β ladder)trans-130.2131.4176.3-61.9-173173.873.80109.1L467 C469 T470 L476 F481 V482 Q483 P488 H489L467-K491 HydrophobicContact CD2-CD 4.13Å; C469-K491 CarbonylContact C-O 3.51Å; C469-K491 WeakPolarHBondContact CA-O 3.35Å; T470-K491 PolarHBondContact N-O 3.13Å; T470-K491 PolarHBondContact OG1-N 3.29Å; T470-K491 PolarHBondContact OG1-O 2.77Å; T470-K491 VanDerWaalsContact OG1-O 3.09Å; L476-K491 HydrophobicContact CD1-CB 3.54Å; L476-K491 HydrophobicContact CD1-CD 4.1Å; L476-K491 HydrophobicContact CD1-CG 4.48Å; F481-K491 HydrophobicContact CD2-CB 4.17Å; F481-K491 HydrophobicContact CD2-CD 4.19Å; F481-K491 HydrophobicContact CD2-CG 4.28Å; F481-K491 HydrophobicContact CE2-CD 3.86Å; F481-K491 HydrophobicContact CE2-CG 4.25Å; V482-K491 CarbonylContact O-C 3.57Å; V482-K491 WeakPolarHBondContact O-CA 3.35Å; Q483-K491 HydrophobicContact CB-CG 4.34Å; Q483-K491 HydrophobicContact CG-CG 4.17Å; P488-K491 PolarHBondContact O-NZ 3.13Å; H489-K491 PolarHBondContact O-N 3.19Å
492F94.2Very high91.8Very high0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-131.1129.2-170.1-48.6-75.4000110.2T470 L471 F481 V482 H490 T497 P513T470-F492 HydrophobicContact CG2-CE1 4.47Å; L471-F492 HydrophobicContact CD1-CD1 3.68Å; L471-F492 HydrophobicContact CD1-CE1 4.14Å; L471-F492 HydrophobicContact CG-CD1 3.84Å; L471-F492 HydrophobicContact CG-CE1 4.06Å; F481-F492 CarbonylContact C-O 3.51Å; F481-F492 VanDerWaalsContact CA-O 3.29Å; F481-F492 WeakPolarHBondContact CA-O 3.43Å; F481-F492 WeakPolarHBondContact CB-O 3.34Å; V482-F492 PolarHBondContact N-O 2.9Å; V482-F492 PolarHBondContact O-N 3.44Å; H490-F492 HydrophobicContact CB-CE2 3.8Å; H490-F492 HydrophobicContact CB-CZ 3.66Å; F492-T497 WeakPolarHBondContact CB-OG1 3.5Å; F492-P513 HydrophobicContact CD1-CB 3.87Å; F492-P513 HydrophobicContact CD2-CB 4.07Å; F492-P513 HydrophobicContact CD2-CG 3.88Å; F492-P513 HydrophobicContact CE1-CB 3.93Å; F492-P513 HydrophobicContact CE2-CB 4.14Å; F492-P513 HydrophobicContact CE2-CG 4.12Å; F492-P513 HydrophobicContact CG-CB 3.92Å; F492-P513 HydrophobicContact CG-CG 4.09Å; F492-P513 HydrophobicContact CZ-CB 4.07Å
493C93.3Very high91.5Very high14 Ų1452.2 Ų52.210%0.09529%0.286CS..EExtended strand (participates in β ladder)trans-65.8154.717166.60000110.2C469 L476 C496 T497C469-C493 HydrophobicContact CB-CB 4.4Å; C469-C493 PolarHBondContact SG-N 3.06Å; C469-C493 VanDerWaalsContact SG-N 3.4Å; L476-C493 HydrophobicContact CD2-CB 3.66Å; C493-C496 PolarHBondContact O-N 2.86Å; C493-C496 PolarHBondContact SG-SG 3.26Å; C493-T497 PolarHBondContact O-N 3.46Å; C493-T497 PolarHBondContact O-OG1 3Å
494F92.8Very high91.1Very high52 Ų5251.3 Ų51.323%0.22828%0.282CS..Hα-helixtrans-57.2-40.6178.6-81.426.8000113H480 V482 T497 R498H480-F494 WeakPolarHBondContact O-CD1 3.5Å; V482-F494 HydrophobicContact CG2-CD1 4.26Å; V482-F494 HydrophobicContact CG2-CE1 3.98Å; F494-T497 PolarHBondContact O-N 3.24Å; F494-R498 VanDerWaalsContact O-CG 3.28Å; F494-R498 WeakPolarHBondContact O-CG 3.26Å; F494-R498 PolarHBondContact O-N 3.16Å
495P92.7Very high90Very high83 Ų8353.4 Ų53.454%0.53930%0.304SS..Hα-helixtrans-55.9-50.7174.4-29.136.7000114.7T497 R498 A499P495-T497 VanDerWaalsContact C-N 3.29Å; P495-T497 PolarHBondContact O-N 2.74Å; P495-R498 PolarHBondContact O-N 2.8Å; P495-A499 PolarHBondContact O-N 2.92Å; P495-A499 VanDerWaalsContact O-N 3.09Å
496C92.9Very high89Confident28 Ų2859.5 Ų59.519%0.18933%0.325CS..Hα-helixtrans-63.6-36.8176.6-69.20000111.9L471 C493 A499 F500L471-C496 HydrophobicContact CB-CB 4.15Å; L471-C496 HydrophobicContact CD1-CB 3.77Å; C493-C496 PolarHBondContact O-N 2.86Å; C493-C496 PolarHBondContact SG-SG 3.26Å; C496-A499 PolarHBondContact O-N 2.96Å; C496-F500 PolarHBondContact O-N 2.68Å
497T92.9Very high87.9Confident0 Ų062.1 Ų62.10%036%0.357CS..Hα-helixtrans-67.4-40.9178.6-49.60000111.8V482 F492 C493 F494 P495 F500 I501 P513 F529 I537V482-T497 HydrophobicContact CG2-CG2 4.18Å; F492-T497 WeakPolarHBondContact CB-OG1 3.5Å; C493-T497 PolarHBondContact O-N 3.46Å; C493-T497 PolarHBondContact O-OG1 3Å; F494-T497 PolarHBondContact O-N 3.24Å; P495-T497 VanDerWaalsContact C-N 3.29Å; P495-T497 PolarHBondContact O-N 2.74Å; T497-F500 PolarHBondContact O-N 3.32Å; T497-I501 HydrophobicContact CG2-CD1 3.92Å; T497-I501 HydrophobicContact CG2-CG1 4.48Å; T497-I501 WeakPolarHBondContact O-CB 3.36Å; T497-I501 VanDerWaalsContact O-CG1 3.28Å; T497-I501 WeakPolarHBondContact O-CG1 3.35Å; T497-I501 PolarHBondContact O-N 3.01Å; T497-P513 HydrophobicContact CG2-CG 4.21Å; T497-F529 HydrophobicContact CG2-CE1 3.94Å; T497-F529 HydrophobicContact CG2-CE2 4.28Å; T497-F529 HydrophobicContact CG2-CZ 3.45Å; T497-F529 VanDerWaalsContact CG2-CZ 3.45Å; T497-I537 HydrophobicContact CG2-CD1 4.13Å; T497-I537 HydrophobicContact CG2-CG2 4.31Å
498R91.6Very high87.2Confident41 Ų4162.2 Ų62.216%0.15537%0.366CS..Hα-helixtrans-59.2-45.7172.5-73.2167.7-178.31575.3111.9F494 P495 I501 R502 I537 L538 G540F494-R498 VanDerWaalsContact O-CG 3.28Å; F494-R498 WeakPolarHBondContact O-CG 3.26Å; F494-R498 PolarHBondContact O-N 3.16Å; P495-R498 PolarHBondContact O-N 2.8Å; R498-I501 PolarHBondContact O-N 3.49Å; R498-R502 WeakPolarHBondContact O-CB 3.34Å; R498-R502 VanDerWaalsContact O-CG 3.31Å; R498-R502 WeakPolarHBondContact O-CG 3.45Å; R498-R502 PolarHBondContact O-N 3.4Å; R498-I537 HydrophobicContact CG-CG2 3.71Å; R498-I537 PolarHBondContact NE-O 3.21Å; R498-I537 PolarHBondContact NH2-O 3.38Å; R498-L538 HydrophobicContact CG-CD2 4.44Å; R498-G540 PolarHBondContact NH1-O 3.29Å; R498-G540 PolarHBondContact NH2-O 2.96Å
499A91Very high87.1Confident60 Ų6064.2 Ų64.250%0.49637%0.368SS..Hα-helixtrans-61.5-44.7177.800000111.5P495 C496 R502 S503P495-A499 PolarHBondContact O-N 2.92Å; P495-A499 VanDerWaalsContact O-N 3.09Å; C496-A499 PolarHBondContact O-N 2.96Å; A499-R502 PolarHBondContact O-N 3.08Å; A499-S503 PolarHBondContact O-N 2.82Å
500F92.3Very high87.2Confident41 Ų4156.7 Ų56.718%0.1833%0.334CS..Hα-helixtrans-61.2-52.4176.1-172.7-95.5000112C496 T497 R502 S503 Q504 V510 Y511 P513C496-F500 PolarHBondContact O-N 2.68Å; T497-F500 PolarHBondContact O-N 3.32Å; F500-R502 VanDerWaalsContact C-N 3.32Å; F500-R502 PolarHBondContact O-N 2.84Å; F500-S503 PolarHBondContact O-N 3.05Å; F500-S503 PolarHBondContact O-OG 3.35Å; F500-Q504 PolarHBondContact O-N 3.5Å; F500-V510 HydrophobicContact CD1-CG1 3.85Å; F500-V510 HydrophobicContact CE1-CG1 3.76Å; F500-Y511 WeakPolarHBondContact CE1-O 3.44Å; F500-P513 HydrophobicContact CB-CB 4.18Å; F500-P513 HydrophobicContact CD1-CB 4Å; F500-P513 HydrophobicContact CD1-CG 3.99Å; F500-P513 HydrophobicContact CD2-CB 4.21Å; F500-P513 HydrophobicContact CE1-CB 4.46Å; F500-P513 HydrophobicContact CE1-CG 4.46Å; F500-P513 HydrophobicContact CG-CB 3.86Å; F500-P513 HydrophobicContact CG-CG 4.3Å
501I90.8Very high87.1Confident8 Ų857.1 Ų57.14%0.04134%0.335CS..Hα-helixtrans-54-46.8176.2-70.5164.3000111.3T497 R498 S503 Q504 V510 I534 I537 L538T497-I501 HydrophobicContact CG2-CD1 3.92Å; T497-I501 HydrophobicContact CG2-CG1 4.48Å; T497-I501 WeakPolarHBondContact O-CB 3.36Å; T497-I501 VanDerWaalsContact O-CG1 3.28Å; T497-I501 WeakPolarHBondContact O-CG1 3.35Å; T497-I501 PolarHBondContact O-N 3.01Å; R498-I501 PolarHBondContact O-N 3.49Å; I501-S503 VanDerWaalsContact C-N 3.29Å; I501-S503 PolarHBondContact O-N 2.86Å; I501-Q504 PolarHBondContact O-N 2.8Å; I501-V510 HydrophobicContact CG1-CG1 4.02Å; I501-I534 HydrophobicContact CD1-CG1 4.49Å; I501-I534 HydrophobicContact CG2-CG2 4Å; I501-I537 HydrophobicContact CD1-CB 4.28Å; I501-I537 HydrophobicContact CD1-CD1 4.32Å; I501-I537 HydrophobicContact CD1-CG2 3.86Å; I501-L538 HydrophobicContact CG2-CD1 3.83Å; I501-L538 HydrophobicContact CG2-CD2 4.03Å; I501-L538 HydrophobicContact CG2-CG 4.09Å
502R88.9Confident87.1Confident141 Ų14155.5 Ų55.553%0.53233%0.328SS..Hα-helixtrans-62.2-35178.1-75.8175.4175.3149.24112.7R498 A499 F500 Q504 L538 D541R498-R502 WeakPolarHBondContact O-CB 3.34Å; R498-R502 VanDerWaalsContact O-CG 3.31Å; R498-R502 WeakPolarHBondContact O-CG 3.45Å; R498-R502 PolarHBondContact O-N 3.4Å; A499-R502 PolarHBondContact O-N 3.08Å; F500-R502 VanDerWaalsContact C-N 3.32Å; F500-R502 PolarHBondContact O-N 2.84Å; R502-Q504 VanDerWaalsContact C-N 3.33Å; R502-L538 HydrophobicContact CG-CD2 4.14Å; R502-D541 IonicContact CZ-OD2 2.7Å; R502-D541 IonicContact NH1-OD2 3.34Å; R502-D541 PolarHBondContact NH1-OD2 2.97Å; R502-D541 IonicContact NH2-OD2 2.69Å; R502-D541 PolarHBondContact NH2-OD2 2.84Å
503S87.2Confident87.1Confident92 Ų9255.7 Ų55.764%0.64333%0.329SS*.Hα-helixtrans-72.8-22.3177.674.50000114.3A499 F500 I501 G505A499-S503 PolarHBondContact O-N 2.82Å; F500-S503 PolarHBondContact O-N 3.05Å; F500-S503 PolarHBondContact O-OG 3.35Å; I501-S503 VanDerWaalsContact C-N 3.29Å; I501-S503 PolarHBondContact O-N 2.86Å; S503-G505 VanDerWaalsContact C-N 3.33Å
504Q83.1Confident86.8Confident70 Ų7056.8 Ų56.833%0.32734%0.337SS..Hα-helixtrans-77.2-17.2-178.7-158.5110.4-19.300113.3F500 I501 R502 E509 V510F500-Q504 PolarHBondContact O-N 3.5Å; I501-Q504 PolarHBondContact O-N 2.8Å; R502-Q504 VanDerWaalsContact C-N 3.33Å; Q504-E509 PolarHBondContact NE2-O 3.03Å; Q504-V510 HydrophobicContact CB-CG1 4.43Å; Q504-V510 HydrophobicContact CB-CG2 4.19Å; Q504-V510 HydrophobicContact CG-CG1 4.38Å; Q504-V510 HydrophobicContact CG-CG2 4.09Å
505G70.2Confident86.6Confident44 Ų4457.2 Ų57.245%0.45436%0.356SS..  trans85.5166.6-17800000114.4S503S503-G505 VanDerWaalsContact C-N 3.33Å
506Q70.1Confident86.4Confident207 Ų20758.5 Ų58.597%0.96736%0.355SS*.THydrogen-bonded Turntrans-82.8130.8179.6-63.9-173.816.200111.3
507G65.2Low86.2Confident88 Ų8864.8 Ų64.891%0.90737%0.374SS*.THydrogen-bonded Turntrans93.63.6171.900000116.3
508G76.3Confident86.2Confident40 Ų4064.9 Ų64.941%0.41238%0.375SS..SBendtrans-98.1157.317200000113.2
509E86.3Confident86.2Confident123 Ų12366.2 Ų66.258%0.57539%0.389SS*.PPolyproline II helixtrans-67.9127167.553.6-173.2126.500110.7Q504 Y511 A528Q504-E509 PolarHBondContact NE2-O 3.03Å; E509-Y511 HydrophobicContact CG-CE1 4.12Å; E509-Y511 HydrophobicContact CG-CE2 4.22Å; E509-Y511 PolarHBondContact OE1-OH 3.35Å; E509-Y511 WeakPolarHBondContact OE2-CE1 3.33Å; E509-Y511 PolarHBondContact OE2-OH 2.84Å; E509-A528 HydrophobicContact CB-CB 4.48Å
510V91.4Very high86Confident4 Ų466.6 Ų66.62%0.02438%0.383CS..PPolyproline II helixtrans-98.8116.4-179.5-170.20000109.5F500 I501 Q504 A528 F529 I534F500-V510 HydrophobicContact CD1-CG1 3.85Å; F500-V510 HydrophobicContact CE1-CG1 3.76Å; I501-V510 HydrophobicContact CG1-CG1 4.02Å; Q504-V510 HydrophobicContact CB-CG1 4.43Å; Q504-V510 HydrophobicContact CB-CG2 4.19Å; Q504-V510 HydrophobicContact CG-CG1 4.38Å; Q504-V510 HydrophobicContact CG-CG2 4.09Å; V510-A528 CarbonylContact O-C 3.56Å; V510-A528 WeakPolarHBondContact O-CA 3.19Å; V510-A528 VanDerWaalsContact O-CB 3.3Å; V510-A528 WeakPolarHBondContact O-CB 3.48Å; V510-F529 HydrophobicContact CB-CD2 3.97Å; V510-F529 HydrophobicContact CG1-CD2 3.79Å; V510-F529 HydrophobicContact CG1-CE2 4.19Å; V510-F529 WeakPolarHBondContact O-CD2 3.49Å; V510-F529 PolarHBondContact O-N 3.14Å; V510-I534 HydrophobicContact CB-CD1 4.27Å; V510-I534 HydrophobicContact CG2-CD1 3.8Å
511Y92.6Very high85.6Confident29 Ų2969.4 Ų69.411%0.11441%0.413CS..BIsolated β-bridgetrans-87.4-172.5-179.6-59-60.8000112.8F500 E509 R517 P526 A528F500-Y511 WeakPolarHBondContact CE1-O 3.44Å; E509-Y511 HydrophobicContact CG-CE1 4.12Å; E509-Y511 HydrophobicContact CG-CE2 4.22Å; E509-Y511 PolarHBondContact OE1-OH 3.35Å; E509-Y511 WeakPolarHBondContact OE2-CE1 3.33Å; E509-Y511 PolarHBondContact OE2-OH 2.84Å; Y511-R517 VanDerWaalsContact CE2-CZ 3.41Å; Y511-R517 VanDerWaalsContact CE2-NH2 3.32Å; Y511-R517 PolarHBondContact OH-NH1 3.19Å; Y511-P526 HydrophobicContact CD1-CB 4.11Å; Y511-P526 HydrophobicContact CD1-CG 4.35Å; Y511-P526 HydrophobicContact CE1-CB 4.02Å; Y511-P526 HydrophobicContact CE1-CG 3.75Å; Y511-A528 HydrophobicContact CD1-CB 3.92Å; Y511-A528 HydrophobicContact CE1-CB 4.22Å
512C93.6Very high85.1Confident0 Ų073.5 Ų73.50%046%0.458CS..  trans-53.9128.1176.2-172.30000112.4S514 G515 E516 C518 W527C512-S514 PolarHBondContact O-N 2.9Å; C512-S514 PolarHBondContact SG-OG 2.69Å; C512-G515 PolarHBondContact O-N 2.7Å; C512-E516 WeakPolarHBondContact CB-O 3.43Å; C512-C518 HydrophobicContact CB-CB 4.46Å; C512-W527 HydrophobicContact CB-CE3 3.85Å; C512-W527 HydrophobicContact CB-CZ3 3.84Å
513P92.8Very high85.1Confident4 Ų468.9 Ų68.93%0.02645%0.447CS..THydrogen-bonded Turntrans-62.2-2.8179.2-25.834.7000116.9L471 F492 T497 F500 F529L471-P513 HydrophobicContact CD1-CB 4.05Å; F492-P513 HydrophobicContact CD1-CB 3.87Å; F492-P513 HydrophobicContact CD2-CB 4.07Å; F492-P513 HydrophobicContact CD2-CG 3.88Å; F492-P513 HydrophobicContact CE1-CB 3.93Å; F492-P513 HydrophobicContact CE2-CB 4.14Å; F492-P513 HydrophobicContact CE2-CG 4.12Å; F492-P513 HydrophobicContact CG-CB 3.92Å; F492-P513 HydrophobicContact CG-CG 4.09Å; F492-P513 HydrophobicContact CZ-CB 4.07Å; T497-P513 HydrophobicContact CG2-CG 4.21Å; F500-P513 HydrophobicContact CB-CB 4.18Å; F500-P513 HydrophobicContact CD1-CB 4Å; F500-P513 HydrophobicContact CD1-CG 3.99Å; F500-P513 HydrophobicContact CD2-CB 4.21Å; F500-P513 HydrophobicContact CE1-CB 4.46Å; F500-P513 HydrophobicContact CE1-CG 4.46Å; F500-P513 HydrophobicContact CG-CB 3.86Å; F500-P513 HydrophobicContact CG-CG 4.3Å; P513-F529 HydrophobicContact CG-CE2 3.89Å; P513-F529 HydrophobicContact CG-CZ 3.92Å
514S89Confident85.1Confident38 Ų3872.5 Ų72.527%0.26646%0.459SS..THydrogen-bonded Turntrans-74.2-12167.2590000113.4H490 C512 E516H490-S514 PolarHBondContact CE1-OG 3.06Å; H490-S514 VanDerWaalsContact CE1-OG 3.27Å; H490-S514 PolarHBondContact ND1-OG 2.74Å; C512-S514 PolarHBondContact O-N 2.9Å; C512-S514 PolarHBondContact SG-OG 2.69Å; S514-E516 VanDerWaalsContact C-N 3.25Å; S514-E516 PolarHBondContact OG-N 2.85Å
515G86.8Confident85.5Confident61 Ų6173.4 Ų73.463%0.62947%0.469SS*.SBendtrans83.3-6.1-170.100000114C512C512-G515 PolarHBondContact O-N 2.7Å
516E88.4Confident86.4Confident109 Ų10972.9 Ų72.951%0.50946%0.458SS..  trans-83.9141176.5-64.7-170.3169.600112.4H490 C512 S514 C518H490-E516 IonicContact CE1-OE2 3.32Å; H490-E516 PolarHBondContact CE1-OE2 3.48Å; C512-E516 WeakPolarHBondContact CB-O 3.43Å; S514-E516 VanDerWaalsContact C-N 3.25Å; S514-E516 PolarHBondContact OG-N 2.85Å; E516-C518 PolarHBondContact O-N 2.61Å
517R89.9Confident87.5Confident160 Ų16064.2 Ų64.260%0.60442%0.416SS*.  trans-80.761.5171.2-74.2178.9173.9-99.3-1.2111Y511 P519 P526Y511-R517 VanDerWaalsContact CE2-CZ 3.41Å; Y511-R517 VanDerWaalsContact CE2-NH2 3.32Å; Y511-R517 PolarHBondContact OH-NH1 3.19Å; R517-P519 WeakPolarHBondContact O-CD 3.28Å; R517-P526 HydrophobicContact CB-CB 4.11Å
518C91.7Very high88.8Confident3 Ų361.3 Ų61.32%0.0238%0.384CS..PPolyproline II helixtrans-56.7117.2-177.1-57.30000111.5V487 C512 E516 P526 W527V487-C518 HydrophobicContact CG2-CB 4.38Å; C512-C518 HydrophobicContact CB-CB 4.46Å; E516-C518 PolarHBondContact O-N 2.61Å; C518-P526 WeakPolarHBondContact O-CA 3.28Å; C518-W527 PolarHBondContact O-N 2.83Å
519P92.2Very high89.5Confident69 Ų6960.1 Ų60.145%0.44837%0.367SS..BIsolated β-bridgetrans-78140-176.130.5-34.5000112.1S486 R517 V525S486-P519 WeakPolarHBondContact CB-O 3.34Å; S486-P519 VanDerWaalsContact OG-C 3.3Å; S486-P519 PolarHBondContact OG-O 3.39Å; R517-P519 WeakPolarHBondContact O-CD 3.28Å; P519-V525 CarbonylContact C-O 3.11Å; P519-V525 WeakPolarHBondContact CA-O 3.4Å
520L87.5Confident89.7Confident68 Ų6860.2 Ų60.236%0.35637%0.369SS..PPolyproline II helixtrans-64.3137.3175.1-73.3170.5000110.8P485 G522 S523 V525 W527P485-L520 HydrophobicContact CB-CD2 4.46Å; P485-L520 HydrophobicContact CG-CD2 3.75Å; L520-G522 PolarHBondContact O-N 3.34Å; L520-S523 WeakPolarHBondContact O-CB 3.37Å; L520-S523 PolarHBondContact O-N 2.95Å; L520-S523 PolarHBondContact O-OG 3.27Å; L520-V525 PolarHBondContact N-O 2.79Å; L520-W527 HydrophobicContact CD2-CB 3.8Å; L520-W527 HydrophobicContact CD2-CG 4.17Å; L520-W527 HydrophobicContact CG-CB 4.02Å
521A83.2Confident89.4Confident99 Ų9966.3 Ų66.382%0.81840%0.397SS*.THydrogen-bonded Turntrans-52.9122.3-171.400000112.9
522G81.2Confident89.1Confident95 Ų9567.1 Ų67.198%0.97942%0.415SS*.THydrogen-bonded Turntrans83.89.7-176.300000115.3L520L520-G522 PolarHBondContact O-N 3.34Å
523S88.1Confident88.9Confident44 Ų4470.3 Ų70.331%0.30843%0.43SS..SBendtrans-138168.8179.581.90000112.6L520 V525L520-S523 WeakPolarHBondContact O-CB 3.37Å; L520-S523 PolarHBondContact O-N 2.95Å; L520-S523 PolarHBondContact O-OG 3.27Å; S523-V525 PolarHBondContact OG-N 3.09Å
524N87.8Confident88.8Confident167 Ų16770.8 Ų70.889%0.89343%0.432SS*.SBendtrans-97.910.4168.1-65.7-23000112.5
525V90.6Very high88.7Confident89 Ų8972.1 Ų72.154%0.53944%0.442SS..PPolyproline II helixtrans-87.2123.3-176.7-177.90000108.9P519 L520 S523P519-V525 CarbonylContact C-O 3.11Å; P519-V525 WeakPolarHBondContact CA-O 3.4Å; L520-V525 PolarHBondContact N-O 2.79Å; S523-V525 PolarHBondContact OG-N 3.09Å
526P90.4Very high88.7Confident34 Ų3474.1 Ų74.122%0.22144%0.442CS..BIsolated β-bridgetrans-65.8138.9177.228.5-34.7000110.8Y511 R517 C518 A528Y511-P526 HydrophobicContact CD1-CB 4.11Å; Y511-P526 HydrophobicContact CD1-CG 4.35Å; Y511-P526 HydrophobicContact CE1-CB 4.02Å; Y511-P526 HydrophobicContact CE1-CG 3.75Å; R517-P526 HydrophobicContact CB-CB 4.11Å; C518-P526 WeakPolarHBondContact O-CA 3.28Å; P526-A528 PolarHBondContact O-N 2.89Å
527W92Very high88.7Confident24 Ų2469.3 Ų69.39%0.09142%0.419CS..PPolyproline II helixtrans-67.9130.3170.6171.157.7000110.6V482 C484 P485 C512 C518 L520 F529V482-W527 HydrophobicContact CG1-CH2 3.81Å; V482-W527 HydrophobicContact CG1-CZ2 4.25Å; C484-W527 HydrophobicContact CB-CE3 4.14Å; C484-W527 HydrophobicContact CB-CZ3 3.82Å; C484-W527 VanDerWaalsContact SG-CE3 3.59Å; P485-W527 VanDerWaalsContact CD-CD2 3.41Å; P485-W527 HydrophobicContact CG-CB 4.2Å; P485-W527 HydrophobicContact CG-CD2 3.89Å; P485-W527 HydrophobicContact CG-CG 3.68Å; C512-W527 HydrophobicContact CB-CE3 3.85Å; C512-W527 HydrophobicContact CB-CZ3 3.84Å; C518-W527 PolarHBondContact O-N 2.83Å; L520-W527 HydrophobicContact CD2-CB 3.8Å; L520-W527 HydrophobicContact CD2-CG 4.17Å; L520-W527 HydrophobicContact CG-CB 4.02Å; W527-F529 HydrophobicContact CH2-CE1 4.43Å; W527-F529 HydrophobicContact CH2-CZ 4.19Å; W527-F529 HydrophobicContact CZ2-CE1 4.39Å
528A92.4Very high88.5Confident28 Ų2864.2 Ų64.223%0.23140%0.404CS..BIsolated β-bridgetrans-129.6154.4171.500000109.9E509 V510 Y511 P526E509-A528 HydrophobicContact CB-CB 4.48Å; V510-A528 CarbonylContact O-C 3.56Å; V510-A528 WeakPolarHBondContact O-CA 3.19Å; V510-A528 VanDerWaalsContact O-CB 3.3Å; V510-A528 WeakPolarHBondContact O-CB 3.48Å; Y511-A528 HydrophobicContact CD1-CB 3.92Å; Y511-A528 HydrophobicContact CE1-CB 4.22Å; P526-A528 PolarHBondContact O-N 2.89Å
529F90.9Very high87.9Confident15 Ų1567.7 Ų67.77%0.06643%0.432CS..  trans-65.3141.5172.2-70.2-89000111.4V482 T497 V510 P513 W527 E533 I534 I537V482-F529 HydrophobicContact CB-CE1 4.47Å; V482-F529 HydrophobicContact CG1-CE1 3.68Å; V482-F529 HydrophobicContact CG1-CZ 3.89Å; V482-F529 HydrophobicContact CG2-CE1 4.14Å; T497-F529 HydrophobicContact CG2-CE1 3.94Å; T497-F529 HydrophobicContact CG2-CE2 4.28Å; T497-F529 HydrophobicContact CG2-CZ 3.45Å; T497-F529 VanDerWaalsContact CG2-CZ 3.45Å; V510-F529 HydrophobicContact CB-CD2 3.97Å; V510-F529 HydrophobicContact CG1-CD2 3.79Å; V510-F529 HydrophobicContact CG1-CE2 4.19Å; V510-F529 WeakPolarHBondContact O-CD2 3.49Å; V510-F529 PolarHBondContact O-N 3.14Å; P513-F529 HydrophobicContact CG-CE2 3.89Å; P513-F529 HydrophobicContact CG-CZ 3.92Å; W527-F529 HydrophobicContact CH2-CE1 4.43Å; W527-F529 HydrophobicContact CH2-CZ 4.19Å; W527-F529 HydrophobicContact CZ2-CE1 4.39Å; F529-E533 HydrophobicContact CD1-CB 4.27Å; F529-I534 HydrophobicContact CB-CD1 3.99Å; F529-I534 HydrophobicContact CB-CG1 3.71Å; F529-I534 HydrophobicContact CG-CG1 4.44Å; F529-I537 HydrophobicContact CD1-CD1 4.06Å; F529-I537 HydrophobicContact CE1-CD1 3.71Å
530M90.8Very high86.6Confident124 Ų12466.8 Ų66.861%0.61144%0.436SS*.  trans-75148.6167.5-61.9-177-75.400110.4G532 E533 I534M530-G532 PolarHBondContact O-N 3.46Å; M530-G532 VanDerWaalsContact O-N 3.11Å; M530-E533 HydrophobicContact CB-CG 4.14Å; M530-E533 VanDerWaalsContact CE-CD 3.47Å; M530-E533 HydrophobicContact CE-CG 4Å; M530-E533 WeakPolarHBondContact CE-OE1 3.11Å; M530-E533 PolarHBondContact N-OE2 3.39Å; M530-E533 WeakPolarHBondContact O-CB 3.4Å; M530-E533 PolarHBondContact O-N 2.61Å; M530-I534 PolarHBondContact O-N 3.49Å
531Q85.5Confident85.4Confident132 Ų13267.7 Ų67.762%0.61744%0.441SS*.Hα-helixtrans-58.5-29.8-179.4-166.562.93000113.2S535Q531-S535 PolarHBondContact O-N 3.24Å; Q531-S535 PolarHBondContact O-OG 2.94Å; Q531-S535 VanDerWaalsContact O-OG 3.13Å
532G86.6Confident83.9Confident47 Ų4766.3 Ų66.349%0.48544%0.437SS..Hα-helixtrans-66.1-43.9172.500000113M530 S535 T536M530-G532 PolarHBondContact O-N 3.46Å; M530-G532 VanDerWaalsContact O-N 3.11Å; G532-S535 PolarHBondContact O-N 3.05Å; G532-T536 PolarHBondContact O-N 3.01Å; G532-T536 PolarHBondContact O-OG1 3.32Å
533E89.9Confident81.9Confident67 Ų6767.8 Ų67.831%0.31342%0.422SS..Hα-helixtrans-63.9-43.3176.6-60.6171.4138.200110.8F529 M530 S535 T536 I537F529-E533 HydrophobicContact CD1-CB 4.27Å; M530-E533 HydrophobicContact CB-CG 4.14Å; M530-E533 VanDerWaalsContact CE-CD 3.47Å; M530-E533 HydrophobicContact CE-CG 4Å; M530-E533 WeakPolarHBondContact CE-OE1 3.11Å; M530-E533 PolarHBondContact N-OE2 3.39Å; M530-E533 WeakPolarHBondContact O-CB 3.4Å; M530-E533 PolarHBondContact O-N 2.61Å; E533-S535 VanDerWaalsContact C-N 3.34Å; E533-S535 PolarHBondContact O-N 3.4Å; E533-T536 PolarHBondContact O-N 2.95Å; E533-I537 VanDerWaalsContact O-CB 3.32Å; E533-I537 WeakPolarHBondContact O-CB 3.14Å; E533-I537 WeakPolarHBondContact O-CD1 3.28Å; E533-I537 WeakPolarHBondContact O-CG1 3.3Å; E533-I537 PolarHBondContact O-N 3.22Å
534I89.2Confident79.7Confident13 Ų1372 Ų727%0.06745%0.445CS..Hα-helixtrans-55.2-49.6173.6-70.1169.5000110.4I501 V510 F529 M530 L538I501-I534 HydrophobicContact CD1-CG1 4.49Å; I501-I534 HydrophobicContact CG2-CG2 4Å; V510-I534 HydrophobicContact CB-CD1 4.27Å; V510-I534 HydrophobicContact CG2-CD1 3.8Å; F529-I534 HydrophobicContact CB-CD1 3.99Å; F529-I534 HydrophobicContact CB-CG1 3.71Å; F529-I534 HydrophobicContact CG-CG1 4.44Å; M530-I534 PolarHBondContact O-N 3.49Å; I534-L538 HydrophobicContact CG2-CD1 3.82Å; I534-L538 WeakPolarHBondContact O-CB 3.11Å; I534-L538 VanDerWaalsContact O-CG 3.28Å; I534-L538 WeakPolarHBondContact O-CG 3.35Å; I534-L538 PolarHBondContact O-N 3.5Å
535S87.4Confident77.4Confident67 Ų6769.6 Ų69.647%0.46944%0.437SS..Hα-helixtrans-61.6-48.2177.6-67.60000112.5Q531 G532 E533 I537 L538 A539Q531-S535 PolarHBondContact O-N 3.24Å; Q531-S535 PolarHBondContact O-OG 2.94Å; Q531-S535 VanDerWaalsContact O-OG 3.13Å; G532-S535 PolarHBondContact O-N 3.05Å; E533-S535 VanDerWaalsContact C-N 3.34Å; E533-S535 PolarHBondContact O-N 3.4Å; S535-I537 PolarHBondContact O-N 3.42Å; S535-L538 PolarHBondContact O-N 2.92Å; S535-A539 WeakPolarHBondContact O-CB 3.48Å; S535-A539 PolarHBondContact O-N 2.95Å
536T87.5Confident75.1Confident103 Ų10371.1 Ų71.163%0.63245%0.446SS*.Hα-helixtrans-63.4-41.6179.3-62.40000112.2G532 E533G532-T536 PolarHBondContact O-N 3.01Å; G532-T536 PolarHBondContact O-OG1 3.32Å; E533-T536 PolarHBondContact O-N 2.95Å
537I87.8Confident72.7Confident8 Ų879.1 Ų79.14%0.04148%0.477CS..Hα-helixtrans-64.5-47.2177.3-69.6164.1000110V482 T497 R498 I501 F529 E533 S535V482-I537 HydrophobicContact CG2-CD1 3.86Å; T497-I537 HydrophobicContact CG2-CD1 4.13Å; T497-I537 HydrophobicContact CG2-CG2 4.31Å; R498-I537 HydrophobicContact CG-CG2 3.71Å; R498-I537 PolarHBondContact NE-O 3.21Å; R498-I537 PolarHBondContact NH2-O 3.38Å; I501-I537 HydrophobicContact CD1-CB 4.28Å; I501-I537 HydrophobicContact CD1-CD1 4.32Å; I501-I537 HydrophobicContact CD1-CG2 3.86Å; F529-I537 HydrophobicContact CD1-CD1 4.06Å; F529-I537 HydrophobicContact CE1-CD1 3.71Å; E533-I537 VanDerWaalsContact O-CB 3.32Å; E533-I537 WeakPolarHBondContact O-CB 3.14Å; E533-I537 WeakPolarHBondContact O-CD1 3.28Å; E533-I537 WeakPolarHBondContact O-CG1 3.3Å; E533-I537 PolarHBondContact O-N 3.22Å; S535-I537 PolarHBondContact O-N 3.42Å
538L86.1Confident70.6Confident53 Ų5385.7 Ų85.728%0.27751%0.507SS..Hα-helixtrans-71.9-31.5-178.7-70.4176000114.2R498 I501 R502 I534 S535 G540 D541R498-L538 HydrophobicContact CG-CD2 4.44Å; I501-L538 HydrophobicContact CG2-CD1 3.83Å; I501-L538 HydrophobicContact CG2-CD2 4.03Å; I501-L538 HydrophobicContact CG2-CG 4.09Å; R502-L538 HydrophobicContact CG-CD2 4.14Å; I534-L538 HydrophobicContact CG2-CD1 3.82Å; I534-L538 WeakPolarHBondContact O-CB 3.11Å; I534-L538 VanDerWaalsContact O-CG 3.28Å; I534-L538 WeakPolarHBondContact O-CG 3.35Å; I534-L538 PolarHBondContact O-N 3.5Å; S535-L538 PolarHBondContact O-N 2.92Å; L538-G540 VanDerWaalsContact C-N 3.25Å; L538-G540 PolarHBondContact O-N 3.34Å; L538-D541 PolarHBondContact O-N 3.09Å
539A78.9Confident68Low75 Ų7593 Ų9362%0.6254%0.536SS*.Hα-helixtrans-63.7-27.1-175.400000113.9S535 D541S535-A539 WeakPolarHBondContact O-CB 3.48Å; S535-A539 PolarHBondContact O-N 2.95Å; A539-D541 PolarHBondContact O-N 3.35Å
540G64.6Low65.2Low50 Ų50103.7 Ų103.752%0.51559%0.586SS.*THydrogen-bonded Turntrans-76.331.7177.200000115R498 L538R498-G540 PolarHBondContact NH1-O 3.29Å; R498-G540 PolarHBondContact NH2-O 2.96Å; L538-G540 VanDerWaalsContact C-N 3.25Å; L538-G540 PolarHBondContact O-N 3.34Å
541D61.8Low63.9Low88 Ų88102.7 Ų102.747%0.47159%0.585SS.*THydrogen-bonded Turntrans-142.124.4-176.9-151.216.3000113.1R502 L538 A539R502-D541 IonicContact CZ-OD2 2.7Å; R502-D541 IonicContact NH1-OD2 3.34Å; R502-D541 PolarHBondContact NH1-OD2 2.97Å; R502-D541 IonicContact NH2-OD2 2.69Å; R502-D541 PolarHBondContact NH2-OD2 2.84Å; L538-D541 PolarHBondContact O-N 3.09Å; A539-D541 PolarHBondContact O-N 3.35Å
542G52.5Low62.8Low70 Ų70101.1 Ų101.172%0.72258%0.583SS**  trans131.6108.5155.800000117.9
543D38.8Very low61.5Low125 Ų125104.1 Ų104.167%0.66859%0.589SS**  -145.199.7111.7-173.77.3000109.9T545D543-T545 WeakPolarHBondContact OD1-CB 3.31Å; D543-T545 WeakPolarHBondContact OD1-CG2 3.39Å; D543-T545 PolarHBondContact OD1-N 2.95Å; D543-T545 PolarHBondContact OD1-OG1 3.36Å
544V41.3Very low59.8Low133 Ų133106.3 Ų106.381%0.80661%0.605SS**  trans-127.759.7160.3-171.50000106.8V546V544-V546 VanDerWaalsContact C-N 3.26Å; V544-V546 HydrophobicContact CG1-CG2 3.98Å; V544-V546 PolarHBondContact O-N 2.69Å
545T39.9Very low57.9Low116 Ų116112.1 Ų112.171%0.71264%0.639SS**  trans-68.586.417045.70000109.8D543 K547D543-T545 WeakPolarHBondContact OD1-CB 3.31Å; D543-T545 WeakPolarHBondContact OD1-CG2 3.39Å; D543-T545 PolarHBondContact OD1-N 2.95Å; D543-T545 PolarHBondContact OD1-OG1 3.36Å; T545-K547 PolarHBondContact O-N 3.17Å
546V43.2Very low56Low122 Ų122115.1 Ų115.174%0.73965%0.65SS**  trans-65.285.1172.3-174.50000108.8V544 K548V544-V546 VanDerWaalsContact C-N 3.26Å; V544-V546 HydrophobicContact CG1-CG2 3.98Å; V544-V546 PolarHBondContact O-N 2.69Å; V546-K548 PolarHBondContact O-N 3.04Å
547K39.3Very low53.7Low201 Ų201116 Ų11687%0.87465%0.651SS**  trans-75.884.1176-161.3175.7-173.7-177.50108.6T545 E549T545-K547 PolarHBondContact O-N 3.17Å; K547-E549 PolarHBondContact O-N 3.03Å
548K48.8Very low51.1Low162 Ų162124.3 Ų124.370%0.70470%0.698SS**  trans-44.9132.5176.8-176.8-160.4165.2-1440110.8V546 E550V546-K548 PolarHBondContact O-N 3.04Å; K548-E550 IonicContact NZ-OE2 3.15Å
549E37.8Very low48.2Very low183 Ų183130.3 Ų130.386%0.85573%0.733SS**  trans-69.2136.6172.8-169.9177.6150.700111.3K547K547-E549 PolarHBondContact O-N 3.03Å
550E31.6Very low45.4Very low238 Ų238135.3 Ų135.3100%1.11274%0.744SS**  trans-151.70165.9-170.2169.8128.100108.4K548K548-E550 IonicContact NZ-OE2 3.15Å

Retrieved 550 of 550 residues in 482.5 ms (Link to these results)

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