A0A5K4EWI5_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EWI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 956 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
1M35.6Very low66Low248 Ų248106 Ų106100%1.22255%0.554SS**  0144.70-74.2175.8159.900108.8
2L36.6Very low68.4Low174 Ų17497.2 Ų97.291%0.91151%0.508SS*.PPolyproline II helixtrans-73.4143.7171-68.1165.4000109
3A40.7Very low70.5Confident84 Ų8489.8 Ų89.869%0.69447%0.469SS*.PPolyproline II helixtrans-67.4140.2167.700000108.9
4P48.8Very low72.3Confident113 Ų11383.4 Ų83.473%0.73444%0.436SS*.PPolyproline II helixtrans-60.9142173.127.1-34.1000109.5I6P4-I6 PolarHBondContact O-N 3.32Å
5N57.1Low73.9Confident112 Ų11281.8 Ų81.860%0.59942%0.422SS*.PPolyproline II helixtrans-56.8117.5175.3-83.9-8.1000109R7 E148N5-R7 VanDerWaalsContact C-N 3.28Å; N5-R7 PolarHBondContact O-N 3.19Å; N5-E148 PolarHBondContact ND2-OE2 2.93Å
6I67.8Low75.4Confident119 Ų11976.7 Ų76.761%0.6140%0.395SS*.  trans-73.786.3-177.1-56.9178.4000108P4 H8 V99P4-I6 PolarHBondContact O-N 3.32Å; I6-H8 PolarHBondContact O-N 3.47Å; I6-V99 HydrophobicContact CG2-CB 4.35Å; I6-V99 HydrophobicContact CG2-CG1 3.6Å
7R78.3Confident76.6Confident149 Ų14977.1 Ų77.156%0.56239%0.391SS*.  trans-71.2112.6178.3-69-174.8172.8176.10.6109.4N5 Y145 E148N5-R7 VanDerWaalsContact C-N 3.28Å; N5-R7 PolarHBondContact O-N 3.19Å; R7-Y145 HydrophobicContact CB-CD1 3.52Å; R7-Y145 HydrophobicContact CB-CE1 4.01Å; R7-Y145 HydrophobicContact CB-CG 4.07Å; R7-E148 IonicContact CZ-OE1 3.29Å; R7-E148 IonicContact NE-OE1 3.91Å; R7-E148 PolarHBondContact NE-OE1 3.49Å; R7-E148 IonicContact NH2-OE1 3Å; R7-E148 PolarHBondContact NH2-OE1 2.9Å
8H86.3Confident77.7Confident50 Ų5075.9 Ų75.923%0.23138%0.383CS..  trans-79.4132.5174.9-63.8-72.7000110.1I6 R75 R146I6-H8 PolarHBondContact O-N 3.47Å; H8-R75 HydrophobicContact CB-CB 4.36Å; H8-R75 HydrophobicContact CB-CG 4.01Å; H8-R146 WeakPolarHBondContact O-CB 3.29Å; H8-R146 PolarHBondContact O-N 2.92Å
9P91.3Very high78.8Confident4 Ų471.9 Ų71.93%0.02636%0.363CS..EExtended strand (participates in β ladder)trans-59.4148.6172.825.2-34.7000111.2V12 I72 G98 V142 R146P9-V12 HydrophobicContact CB-CG2 3.66Å; P9-V12 HydrophobicContact CG-CG2 4.31Å; P9-I72 HydrophobicContact CB-CD1 4.26Å; P9-I72 HydrophobicContact CG-CD1 3.93Å; P9-G98 WeakPolarHBondContact CD-O 3.35Å; P9-G98 VanDerWaalsContact CG-O 3.31Å; P9-G98 WeakPolarHBondContact CG-O 3.44Å; P9-V142 HydrophobicContact CB-CB 4.49Å; P9-V142 HydrophobicContact CB-CG1 3.79Å; P9-V142 HydrophobicContact CB-CG2 3.9Å; P9-R146 PolarHBondContact O-NH1 2.83Å
10K91Very high79.6Confident75 Ų7570.8 Ų70.833%0.32636%0.356SS..EExtended strand (participates in β ladder)trans-107.8-44169.6-176.7174.6162.4-134.30109.8K71 I72 E144 R146K10-K71 CarbonylContact O-C 3.53Å; K10-K71 VanDerWaalsContact O-CA 3.24Å; K10-K71 WeakPolarHBondContact O-CA 3.46Å; K10-I72 PolarHBondContact O-N 2.91Å; K10-E144 WeakPolarHBondContact CA-O 3.25Å; K10-E144 HydrophobicContact CB-CB 4.43Å; K10-E144 WeakPolarHBondContact CB-O 3.42Å; K10-E144 HydrophobicContact CD-CG 4.48Å; K10-E144 WeakPolarHBondContact CD-OE1 3.32Å; K10-E144 WeakPolarHBondContact CD-OE2 3.28Å; K10-E144 WeakPolarHBondContact CE-OE2 3.43Å; K10-E144 PolarHBondContact N-O 3.27Å; K10-E144 IonicContact NZ-OE1 2.85Å; K10-E144 PolarHBondContact NZ-OE1 2.85Å; K10-E144 IonicContact NZ-OE2 3.52Å; K10-E144 PolarHBondContact NZ-OE2 3.35Å; K10-R146 HydrophobicContact CB-CG 3.67Å; K10-R146 HydrophobicContact CG-CG 4.22Å
11E93Very high80.2Confident38 Ų3871 Ų7118%0.17836%0.359CS..EExtended strand (participates in β ladder)trans-133135.3179.7-172.4131.7-119.900110.2T69 F70 K71 E143 E144E11-T69 HydrophobicContact CG-CG2 3.54Å; E11-F70 WeakPolarHBondContact CA-O 3.38Å; E11-K71 HydrophobicContact CB-CG 4.38Å; E11-K71 HydrophobicContact CG-CG 4.32Å; E11-K71 WeakPolarHBondContact OE1-CE 3.49Å; E11-K71 WeakPolarHBondContact OE1-CG 3.48Å; E11-K71 WeakPolarHBondContact OE2-CE 3.21Å; E11-K71 IonicContact OE2-NZ 3.14Å; E11-K71 PolarHBondContact OE2-NZ 2.87Å; E11-E143 HydrophobicContact CB-CB 4.29Å; E11-E143 HydrophobicContact CG-CB 4.13Å; E11-E143 PolarHBondContact O-N 2.85Å; E11-E144 HydrophobicContact CB-CB 4Å; E11-E144 PolarHBondContact N-O 3.3Å; E11-E144 PolarHBondContact O-N 2.92Å
12V94.6Very high82.9Confident0 Ų059.3 Ų59.30%030%0.301CS..EExtended strand (participates in β ladder)trans-135.5138.8-174.2169.70000109.3P9 V14 T69 F70 I72 V79 I101 I140 W141 V142P9-V12 HydrophobicContact CB-CG2 3.66Å; P9-V12 HydrophobicContact CG-CG2 4.31Å; V12-V14 HydrophobicContact CG1-CG2 4.27Å; V12-T69 WeakPolarHBondContact O-CA 3.33Å; V12-F70 HydrophobicContact CG1-CZ 4.5Å; V12-F70 PolarHBondContact N-O 2.99Å; V12-F70 PolarHBondContact O-N 2.94Å; V12-I72 HydrophobicContact CB-CD1 4.22Å; V12-I72 HydrophobicContact CG2-CD1 3.56Å; V12-I72 HydrophobicContact CG2-CG1 4.37Å; V12-V79 HydrophobicContact CG1-CG2 4.45Å; V12-I101 HydrophobicContact CG1-CD1 4.15Å; V12-I101 HydrophobicContact CG1-CG2 4.42Å; V12-I101 HydrophobicContact CG2-CD1 4.05Å; V12-I140 HydrophobicContact CG1-CD1 3.98Å; V12-I140 HydrophobicContact CG1-CG1 3.66Å; V12-W141 WeakPolarHBondContact CA-O 3.21Å; V12-W141 WeakPolarHBondContact CG1-O 3.37Å; V12-V142 HydrophobicContact CG2-CG2 4.4Å
13T95.2Very high85.3Confident1 Ų155.5 Ų55.51%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-102.8136.6169-56.80000109.6E67 T68 T69 I140 W141 E143T13-E67 HydrophobicContact CG2-CG 3.79Å; T13-T68 WeakPolarHBondContact CA-O 3.38Å; T13-T69 WeakPolarHBondContact OG1-CG2 3.43Å; T13-T69 PolarHBondContact OG1-OG1 3.27Å; T13-I140 WeakPolarHBondContact O-CA 3.2Å; T13-W141 HydrophobicContact CG2-CH2 3.88Å; T13-W141 HydrophobicContact CG2-CZ2 3.41Å; T13-W141 VanDerWaalsContact CG2-CZ2 3.41Å; T13-W141 PolarHBondContact N-O 2.62Å; T13-W141 PolarHBondContact O-N 2.74Å; T13-E143 WeakPolarHBondContact OG1-CG 3.04Å; T13-E143 PolarHBondContact OG1-OE1 3.16Å
14V96.1Very high87.4Confident0 Ų052.9 Ų52.90%025%0.25CS..EExtended strand (participates in β ladder)trans-124.4130.6174.4176.20000108.2V12 V16 I43 E67 T68 F70 V79 L81 W139 I140V12-V14 HydrophobicContact CG1-CG2 4.27Å; V14-V16 HydrophobicContact CG1-CG2 3.91Å; V14-I43 HydrophobicContact CB-CD1 4.32Å; V14-I43 HydrophobicContact CG1-CD1 4.04Å; V14-I43 HydrophobicContact CG2-CG2 4.39Å; V14-E67 CarbonylContact O-C 3.6Å; V14-E67 WeakPolarHBondContact O-CA 3.46Å; V14-T68 PolarHBondContact N-O 2.85Å; V14-T68 PolarHBondContact O-N 3.08Å; V14-F70 HydrophobicContact CB-CE1 4.38Å; V14-F70 HydrophobicContact CG2-CE1 3.69Å; V14-F70 HydrophobicContact CG2-CZ 4.07Å; V14-V79 HydrophobicContact CG2-CG1 4.1Å; V14-L81 HydrophobicContact CG1-CD2 3.89Å; V14-W139 WeakPolarHBondContact CA-O 3.38Å; V14-I140 HydrophobicContact CG2-CB 4.5Å; V14-I140 HydrophobicContact CG2-CD1 3.76Å; V14-I140 HydrophobicContact CG2-CG1 3.78Å
15R96.2Very high88.6Confident60 Ų6048.9 Ų48.923%0.22623%0.226CC..EExtended strand (participates in β ladder)trans-115.1108.4167.8-171.1-176-170.1129.1-14.3110.1N65 F66 E67 T113 F138 W139R15-N65 PolarHBondContact NE-OD1 2.88Å; R15-N65 PolarHBondContact NH2-OD1 3.02Å; R15-F66 CarbonylContact C-O 3.57Å; R15-F66 WeakPolarHBondContact CA-O 3.48Å; R15-E67 HydrophobicContact CB-CB 4.25Å; R15-E67 HydrophobicContact CB-CG 3.98Å; R15-E67 VanDerWaalsContact CD-OE2 3.25Å; R15-E67 WeakPolarHBondContact CD-OE2 3.44Å; R15-E67 HydrophobicContact CG-CB 4.05Å; R15-E67 HydrophobicContact CG-CG 4.25Å; R15-E67 IonicContact CZ-OE2 2.66Å; R15-E67 IonicContact NE-OE2 2.65Å; R15-E67 IonicContact NH1-OE2 2.67Å; R15-E67 PolarHBondContact NH1-OE2 2.85Å; R15-T113 VanDerWaalsContact CD-CG2 3.46Å; R15-F138 CarbonylContact O-C 3.49Å; R15-F138 WeakPolarHBondContact O-CA 3.25Å; R15-F138 VanDerWaalsContact O-CB 3.31Å; R15-F138 WeakPolarHBondContact O-CB 3.5Å; R15-W139 HydrophobicContact CB-CB 4.38Å; R15-W139 HydrophobicContact CB-CE3 4.21Å; R15-W139 HydrophobicContact CG-CE3 4.13Å; R15-W139 PolarHBondContact N-O 2.72Å; R15-W139 PolarHBondContact O-N 3.24Å
16V97Very high89Confident0 Ų049.8 Ų49.80%024%0.238CC..EExtended strand (participates in β ladder)trans-86111.2176.2-177.20000108.6V14 C41 I43 W64 N65 F66 L136V14-V16 HydrophobicContact CG1-CG2 3.91Å; V16-C41 HydrophobicContact CG1-CB 3.95Å; V16-I43 HydrophobicContact CG2-CD1 3.87Å; V16-I43 HydrophobicContact CG2-CG1 4.24Å; V16-W64 HydrophobicContact CG1-CD2 4.44Å; V16-W64 HydrophobicContact CG1-CE3 3.69Å; V16-W64 HydrophobicContact CG1-CZ3 4.12Å; V16-N65 CarbonylContact O-C 3.49Å; V16-N65 WeakPolarHBondContact O-CA 3.37Å; V16-N65 PolarHBondContact O-N 2.88Å; V16-N65 VanDerWaalsContact O-N 3.16Å; V16-F66 PolarHBondContact N-O 3.02Å; V16-F66 PolarHBondContact O-N 2.84Å; V16-L136 HydrophobicContact CG1-CD1 3.95Å
17Y96.9Very high88.8Confident84 Ų8451.2 Ų51.233%0.32924%0.236SC..EExtended strand (participates in β ladder)trans-85.4-71.1-174-178.4-152.1000111.7V63 W64 N65 Y137 W139Y17-V63 HydrophobicContact CD2-CG1 4.37Å; Y17-V63 HydrophobicContact CE2-CG1 4.22Å; Y17-W64 PolarHBondContact O-N 2.72Å; Y17-N65 PolarHBondContact O-N 3.12Å; Y17-Y137 WeakPolarHBondContact CB-O 3.5Å; Y17-Y137 PolarHBondContact N-O 3.26Å; Y17-W139 AromaticContact CD1-CH2 3.96Å; Y17-W139 HydrophobicContact CD1-CH2 3.96Å; Y17-W139 HydrophobicContact CD1-CZ3 4.09Å; Y17-W139 HydrophobicContact CE1-CH2 4.46Å; Y17-W139 HydrophobicContact CG-CH2 4.17Å; Y17-W139 AromaticContact CG-CZ3 3.85Å; Y17-W139 HydrophobicContact CG-CZ3 3.85Å
18K96.9Very high87.8Confident56 Ų5649.6 Ų49.624%0.24325%0.248CC..EExtended strand (participates in β ladder)trans-148.6167.2-178.464.7166.2174.6165.90111.3E20 P62 V63 Y137K18-E20 WeakPolarHBondContact CE-OE1 3.14Å; K18-E20 IonicContact NZ-OE1 2.6Å; K18-E20 PolarHBondContact NZ-OE1 3.32Å; K18-P62 CarbonylContact C-O 3.58Å; K18-P62 WeakPolarHBondContact CA-O 3.33Å; K18-P62 WeakPolarHBondContact CB-O 3.41Å; K18-V63 HydrophobicContact CB-CB 4.34Å; K18-V63 HydrophobicContact CB-CG1 4.43Å; K18-V63 HydrophobicContact CB-CG2 3.95Å; K18-Y137 HydrophobicContact CG-CD2 3.99Å; K18-Y137 HydrophobicContact CG-CG 3.93Å; K18-Y137 PolarHBondContact N-O 2.71Å; K18-Y137 WeakPolarHBondContact O-CB 3.35Å; K18-Y137 PolarHBondContact O-N 2.6Å
19A97.2Very high86.4Confident0 Ų050.6 Ų50.60%026%0.255CS..EExtended strand (participates in β ladder)trans-124.5164.416200000110.8L22 N61 P62 W64 R135 L136A19-L22 HydrophobicContact CB-CD1 3.75Å; A19-L22 HydrophobicContact CB-CD2 3.76Å; A19-L22 HydrophobicContact CB-CG 3.71Å; A19-N61 CarbonylContact O-C 3.58Å; A19-N61 VanDerWaalsContact O-CA 3.24Å; A19-N61 WeakPolarHBondContact O-CA 3.29Å; A19-P62 HydrophobicContact CB-CG 4.17Å; A19-P62 PolarHBondContact N-O 2.63Å; A19-W64 HydrophobicContact CB-CH2 4Å; A19-W64 HydrophobicContact CB-CZ3 3.74Å; A19-R135 CarbonylContact C-O 3.47Å; A19-R135 WeakPolarHBondContact CA-O 3.47Å; A19-R135 VanDerWaalsContact CB-O 3.31Å; A19-R135 WeakPolarHBondContact CB-O 3.49Å; A19-L136 HydrophobicContact CB-CD1 4.01Å
20E95.6Very high84.5Confident49 Ų4959.8 Ų59.823%0.22930%0.297CS..EExtended strand (participates in β ladder)trans-134.9143.2178.2-66179.2-178.700110.8K18 L22 N61 G134 R135 Y137K18-E20 WeakPolarHBondContact CE-OE1 3.14Å; K18-E20 IonicContact NZ-OE1 2.6Å; K18-E20 PolarHBondContact NZ-OE1 3.32Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 2.78Å; E20-N61 VanDerWaalsContact CA-OD1 3.26Å; E20-N61 WeakPolarHBondContact CA-OD1 3.49Å; E20-G134 CarbonylContact O-C 3.54Å; E20-G134 WeakPolarHBondContact O-CA 3.48Å; E20-R135 PolarHBondContact N-O 3.27Å; E20-R135 PolarHBondContact O-N 2.92Å; E20-Y137 HydrophobicContact CB-CE2 4.3Å; E20-Y137 HydrophobicContact CG-CD2 4.45Å; E20-Y137 HydrophobicContact CG-CE2 3.82Å; E20-Y137 PolarHBondContact OE2-OH 3.46Å; E20-Y137 VanDerWaalsContact OE2-OH 3.12Å
21N91.9Very high82.9Confident75 Ų7564.2 Ų64.240%0.40132%0.316SS..SBendtrans5534177.9-69.8-75.1000115.1R23 G60 N61 G134N21-R23 PolarHBondContact O-N 2.85Å; N21-G60 PolarHBondContact N-O 2.88Å; N21-N61 PolarHBondContact N-OD1 2.79Å; N21-G134 WeakPolarHBondContact O-CA 3.39Å; N21-G134 PolarHBondContact O-N 2.86Å
22L92.6Very high80.7Confident3 Ų372 Ų722%0.01635%0.353CS..  trans-63.9131.3173.5-63.6-175.5000111.6A19 E20 W39 G60 P62 W64 V83 V91A19-L22 HydrophobicContact CB-CD1 3.75Å; A19-L22 HydrophobicContact CB-CD2 3.76Å; A19-L22 HydrophobicContact CB-CG 3.71Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 2.78Å; L22-W39 HydrophobicContact CB-CD2 4.24Å; L22-W39 HydrophobicContact CB-CE3 4.24Å; L22-W39 HydrophobicContact CB-CH2 4.14Å; L22-W39 HydrophobicContact CB-CZ2 4.14Å; L22-W39 HydrophobicContact CB-CZ3 4.21Å; L22-W39 HydrophobicContact CD1-CB 4.12Å; L22-W39 HydrophobicContact CD1-CD2 3.88Å; L22-W39 HydrophobicContact CD1-CE3 4.1Å; L22-W39 HydrophobicContact CD1-CG 3.92Å; L22-G60 WeakPolarHBondContact CB-O 3.27Å; L22-G60 WeakPolarHBondContact CG-O 3.23Å; L22-G60 PolarHBondContact N-O 2.8Å; L22-P62 HydrophobicContact CD1-CG 3.53Å; L22-W64 HydrophobicContact CD1-CH2 4.12Å; L22-V83 HydrophobicContact CD1-CG1 3.61Å; L22-V83 HydrophobicContact CD2-CG1 3.87Å; L22-V83 HydrophobicContact CG-CG1 4.39Å; L22-V91 HydrophobicContact CB-CG1 4.11Å; L22-V91 HydrophobicContact CD2-CG1 3.79Å; L22-V91 HydrophobicContact CG-CG1 4.49Å
23R87.2Confident78.8Confident93 Ų9378 Ų7835%0.35138%0.379SS..  trans-143.3132.1174.7-59.1-173.1-175-157.52.6110.6N21 F133N21-R23 PolarHBondContact O-N 2.85Å; R23-F133 HydrophobicContact CB-CB 4.05Å; R23-F133 HydrophobicContact CB-CG 4.26Å
24V83.8Confident77.1Confident30 Ų3086.7 Ų86.718%0.18242%0.416CS..PPolyproline II helixtrans-73.7128.7169.2-174.60000108.2W39 D85 N89 V91V24-W39 HydrophobicContact CG2-CH2 4.24Å; V24-W39 HydrophobicContact CG2-CZ3 3.8Å; V24-D85 HydrophobicContact CG2-CB 4Å; V24-N89 HydrophobicContact CG1-CB 3.71Å; V24-N89 HydrophobicContact CG2-CB 4.48Å; V24-V91 HydrophobicContact CG2-CG2 4.13Å
25A74.7Confident75.7Confident28 Ų2891.2 Ų91.223%0.23144%0.444CS..PPolyproline II helixtrans-60.6134175.600000110.6R27 T129 F133A25-R27 PolarHBondContact O-N 3.03Å; A25-R27 VanDerWaalsContact O-N 3.12Å; A25-T129 HydrophobicContact CB-CG2 3.6Å; A25-F133 HydrophobicContact CB-CE2 4.01Å
26P66.2Low74.5Confident132 Ų13289 Ų8986%0.85744%0.437SS*.PPolyproline II helixtrans-56.7119.2174.3-25.134.7000110.6
27R62.1Low73.9Confident148 Ų14892.7 Ų92.756%0.55846%0.455SS*.PPolyproline II helixtrans-77.1144.4178.1-59.9173.157.3136.27.8109.2A25 D29 N89A25-R27 PolarHBondContact O-N 3.03Å; A25-R27 VanDerWaalsContact O-N 3.12Å; R27-D29 WeakPolarHBondContact CB-OD1 3Å; R27-D29 IonicContact NE-OD1 3.54Å; R27-D29 PolarHBondContact NE-OD1 2.6Å; R27-D29 PolarHBondContact O-N 3.22Å; R27-N89 PolarHBondContact NH1-OD1 2.91Å
28S57.7Low73.7Confident116 Ų11693.4 Ų93.481%0.81146%0.46SS*.SBendtrans-76.2-6.3-175.851.70000114.2H30S28-H30 PolarHBondContact O-N 2.73Å
29D57.5Low73.7Confident71 Ų7191.1 Ų91.138%0.3845%0.449SS..SBendtrans-71.6110.5165.255.1-60.1000110.3R27 K31R27-D29 WeakPolarHBondContact CB-OD1 3Å; R27-D29 IonicContact NE-OD1 3.54Å; R27-D29 PolarHBondContact NE-OD1 2.6Å; R27-D29 PolarHBondContact O-N 3.22Å; D29-K31 PolarHBondContact O-N 3.26Å
30H50.9Low73.6Confident196 Ų19692.1 Ų92.191%0.90745%0.454SS*.  trans-60.414.2-175.8-64.5-70.8000116.3S28 Q32S28-H30 PolarHBondContact O-N 2.73Å; H30-Q32 PolarHBondContact O-N 2.74Å
31K56.6Low73.7Confident168 Ų16889.8 Ų89.873%0.7344%0.443SS*.  trans-80.8113169.9-65.1-174.7177.7-173.80108.1D29 K33D29-K31 PolarHBondContact O-N 3.26Å; K31-K33 PolarHBondContact O-N 3.18Å
32Q47Very low73.9Confident203 Ų20386.4 Ų86.495%0.94943%0.425SS*.  trans-64.781.6171.2-70.1-175.6-7.400110.4H30H30-Q32 PolarHBondContact O-N 2.74Å
33K56.1Low74Confident125 Ų12586.3 Ų86.354%0.54342%0.424SS..  trans-66.6138.9165.5-89.1-167.2154.7-145.10109.2K31 V35 E87K31-K33 PolarHBondContact O-N 3.18Å; K33-V35 PolarHBondContact O-N 3.36Å; K33-V35 VanDerWaalsContact O-N 3.11Å; K33-E87 IonicContact NZ-OE2 3.69Å; K33-E87 PolarHBondContact NZ-OE2 3.13Å
34K59.4Low74.3Confident184 Ų18484.7 Ų84.780%0.842%0.422SS*.  trans-61.5112.1170.5-175.7176.4-177.6177.40108.1S36K34-S36 PolarHBondContact O-N 2.96Å
35V65.4Low74.5Confident95 Ų9583.3 Ų83.358%0.57641%0.414SS*.  trans-58.2121.9177.4-179.80000108.1K33 Q37K33-V35 PolarHBondContact O-N 3.36Å; K33-V35 VanDerWaalsContact O-N 3.11Å; V35-Q37 PolarHBondContact O-N 2.67Å
36S71.8Confident74.6Confident13 Ų1384.1 Ų84.19%0.09143%0.425CS..  trans-73.6120.7178.5176.60000109.9K34 K38 S86K34-S36 PolarHBondContact O-N 2.96Å; S36-K38 PolarHBondContact O-N 3Å; S36-K38 PolarHBondContact OG-N 3.33Å; S36-K38 PolarHBondContact OG-O 3.01Å; S36-S86 PolarHBondContact OG-OG 2.85Å
37Q84.7Confident75.2Confident77 Ų7789.1 Ų89.136%0.3643%0.427SS..  trans-87.215.1174.3-69.8168.6-45.400111.9V35 Y56 A57 P58V35-Q37 PolarHBondContact O-N 2.67Å; Q37-Y56 HydrophobicContact CB-CD2 3.99Å; Q37-Y56 HydrophobicContact CB-CE2 3.65Å; Q37-Y56 WeakPolarHBondContact O-CA 3.4Å; Q37-Y56 WeakPolarHBondContact O-CD2 3.15Å; Q37-A57 PolarHBondContact O-N 2.77Å; Q37-P58 HydrophobicContact CB-CB 4.13Å; Q37-P58 HydrophobicContact CG-CB 4.01Å; Q37-P58 VanDerWaalsContact NE2-CB 3.32Å
38K93.1Very high76.4Confident100 Ų10087 Ų8744%0.43542%0.422SS..EExtended strand (participates in β ladder)trans-112.7128.4175.7-68-165.5177.7-1660110.1S36 C54 V55 Y56 D85 S86S36-K38 PolarHBondContact O-N 3Å; S36-K38 PolarHBondContact OG-N 3.33Å; S36-K38 PolarHBondContact OG-O 3.01Å; K38-C54 HydrophobicContact CB-CB 4.49Å; K38-V55 CarbonylContact C-O 3.56Å; K38-V55 VanDerWaalsContact CA-O 3.29Å; K38-V55 WeakPolarHBondContact CA-O 3.2Å; K38-Y56 HydrophobicContact CG-CD2 3.83Å; K38-Y56 HydrophobicContact CG-CG 4.42Å; K38-D85 CarbonylContact O-C 3.58Å; K38-D85 VanDerWaalsContact O-CA 3.25Å; K38-D85 WeakPolarHBondContact O-CA 3.33Å; K38-S86 PolarHBondContact O-N 2.83Å
39W95.4Very high78.1Confident8 Ų888.2 Ų88.23%0.0341%0.412CS..EExtended strand (participates in β ladder)trans-121.3143.1-170.4-47.2100.8000112.4L22 V24 C54 V55 A57 P62 W64 S84 D85 V91L22-W39 HydrophobicContact CB-CD2 4.24Å; L22-W39 HydrophobicContact CB-CE3 4.24Å; L22-W39 HydrophobicContact CB-CH2 4.14Å; L22-W39 HydrophobicContact CB-CZ2 4.14Å; L22-W39 HydrophobicContact CB-CZ3 4.21Å; L22-W39 HydrophobicContact CD1-CB 4.12Å; L22-W39 HydrophobicContact CD1-CD2 3.88Å; L22-W39 HydrophobicContact CD1-CE3 4.1Å; L22-W39 HydrophobicContact CD1-CG 3.92Å; V24-W39 HydrophobicContact CG2-CH2 4.24Å; V24-W39 HydrophobicContact CG2-CZ3 3.8Å; W39-C54 CarbonylContact O-C 3.51Å; W39-C54 WeakPolarHBondContact O-CA 3.31Å; W39-V55 PolarHBondContact N-O 3.18Å; W39-V55 PolarHBondContact O-N 3.4Å; W39-A57 PolarHBondContact NE1-O 3.22Å; W39-P62 HydrophobicContact CB-CB 4.13Å; W39-P62 HydrophobicContact CB-CG 3.82Å; W39-P62 HydrophobicContact CG-CB 4.33Å; W39-P62 HydrophobicContact CG-CG 3.92Å; W39-W64 HydrophobicContact CB-CZ2 3.78Å; W39-W64 PolarHBondContact O-NE1 3.1Å; W39-S84 WeakPolarHBondContact CA-O 3.39Å; W39-D85 HydrophobicContact CE3-CB 4.23Å; W39-D85 HydrophobicContact CZ3-CB 4.25Å; W39-V91 HydrophobicContact CE3-CG2 3.75Å; W39-V91 HydrophobicContact CH2-CG2 4.43Å; W39-V91 HydrophobicContact CZ3-CG2 3.37Å
40K95.9Very high79.9Confident21 Ų2186.8 Ų86.89%0.09140%0.404CS..EExtended strand (participates in β ladder)trans-135.7137.3173.968.2-162.7-178.3-168.20111.1V42 T52 S84 D85 D88K40-V42 HydrophobicContact CG-CG2 4.3Å; K40-T52 WeakPolarHBondContact CA-OG1 3.14Å; K40-S84 VanDerWaalsContact CE-OG 3.26Å; K40-S84 WeakPolarHBondContact CE-OG 3.43Å; K40-S84 VanDerWaalsContact CG-OG 3.25Å; K40-S84 WeakPolarHBondContact CG-OG 3.3Å; K40-S84 PolarHBondContact N-O 3.04Å; K40-S84 PolarHBondContact O-N 3.28Å; K40-S84 PolarHBondContact O-OG 3.25Å; K40-D85 VanDerWaalsContact CE-O 3.26Å; K40-D85 WeakPolarHBondContact CE-O 3.46Å; K40-D88 VanDerWaalsContact CE-OD1 3.31Å; K40-D88 WeakPolarHBondContact CE-OD1 3.15Å; K40-D88 IonicContact NZ-OD1 2.63Å; K40-D88 PolarHBondContact NZ-OD1 3.31Å; K40-D88 IonicContact NZ-OD2 3.77Å; K40-D88 PolarHBondContact NZ-OD2 3.37Å
41C96.9Very high82Confident0 Ų080 Ų800%038%0.379CS..EExtended strand (participates in β ladder)trans-94.4135.5168.4-1760000109.5V16 T52 W64V16-C41 HydrophobicContact CG1-CB 3.95Å; C41-T52 HydrophobicContact CB-CG2 3.84Å; C41-T52 PolarHBondContact N-OG1 2.63Å; C41-T52 PolarHBondContact O-N 2.86Å; C41-T52 PolarHBondContact O-OG1 2.98Å; C41-W64 HydrophobicContact CB-CE3 4.46Å; C41-W64 HydrophobicContact CB-CH2 4.15Å; C41-W64 HydrophobicContact CB-CZ2 4.23Å; C41-W64 HydrophobicContact CB-CZ3 4.28Å
42V96.1Very high83.9Confident3 Ų372.3 Ų72.32%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-120.8110-175176.90000108.5K40 L44 K49 I50 L82K40-V42 HydrophobicContact CG-CG2 4.3Å; V42-L44 HydrophobicContact CG1-CD2 4Å; V42-L44 HydrophobicContact CG1-CG 4.39Å; V42-K49 HydrophobicContact CG1-CD 4.18Å; V42-K49 HydrophobicContact CG1-CG 3.83Å; V42-I50 CarbonylContact C-O 3.58Å; V42-I50 WeakPolarHBondContact CA-O 3.11Å; V42-L82 HydrophobicContact CB-CB 4.22Å; V42-L82 WeakPolarHBondContact CB-O 3.47Å; V42-L82 PolarHBondContact N-O 2.85Å; V42-L82 PolarHBondContact O-N 3.26Å
43I96Very high86.1Confident2 Ų269.1 Ų69.11%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-89.7120.7-176.1-54171.1000108.4V14 V16 K49 I50 F66 T68 F70 V79 L81V14-I43 HydrophobicContact CB-CD1 4.32Å; V14-I43 HydrophobicContact CG1-CD1 4.04Å; V14-I43 HydrophobicContact CG2-CG2 4.39Å; V16-I43 HydrophobicContact CG2-CD1 3.87Å; V16-I43 HydrophobicContact CG2-CG1 4.24Å; I43-K49 WeakPolarHBondContact O-CA 3.14Å; I43-I50 HydrophobicContact CB-CB 4.45Å; I43-I50 PolarHBondContact N-O 2.74Å; I43-I50 PolarHBondContact O-N 2.76Å; I43-F66 HydrophobicContact CD1-CD1 4.27Å; I43-F66 HydrophobicContact CD1-CE1 4.13Å; I43-T68 HydrophobicContact CD1-CG2 3.54Å; I43-F70 HydrophobicContact CG2-CD1 4.35Å; I43-F70 HydrophobicContact CG2-CE1 3.55Å; I43-F70 HydrophobicContact CG2-CZ 3.87Å; I43-V79 HydrophobicContact CG2-CG1 4.34Å; I43-L81 HydrophobicContact CB-CD2 4.35Å; I43-L81 HydrophobicContact CG1-CD2 3.94Å; I43-L81 HydrophobicContact CG2-CD2 4.01Å
44L93.5Very high88Confident59 Ų5966 Ų6631%0.30932%0.324SS..EExtended strand (participates in β ladder)trans-115128.7-179-56173.4000109.7V42 K48 K49 V79 V80 L82V42-L44 HydrophobicContact CG1-CD2 4Å; V42-L44 HydrophobicContact CG1-CG 4.39Å; L44-K48 WeakPolarHBondContact CA-O 3.44Å; L44-K49 HydrophobicContact CD2-CB 3.83Å; L44-K49 HydrophobicContact CD2-CD 4.24Å; L44-K49 HydrophobicContact CD2-CG 3.67Å; L44-V79 WeakPolarHBondContact O-CA 3.41Å; L44-V80 HydrophobicContact CB-CB 4.19Å; L44-V80 HydrophobicContact CD1-CB 4.4Å; L44-V80 PolarHBondContact N-O 3.4Å; L44-V80 PolarHBondContact O-N 2.86Å; L44-L82 HydrophobicContact CD1-CB 4.47Å; L44-L82 HydrophobicContact CD1-CD2 4.48Å
45G87.2Confident89.7Confident1 Ų158.5 Ų58.51%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-14192.9-179.500000111.6R47 K48G45-R47 PolarHBondContact O-N 2.91Å; G45-K48 PolarHBondContact N-O 3.3Å; G45-K48 PolarHBondContact O-N 2.84Å
46G76.7Confident91.1Very high44 Ų4460.7 Ų60.745%0.45429%0.293SS..THydrogen-bonded Turntrans59.2-100.2-173.100000111.9
47R79.6Confident92Very high238 Ų23860.4 Ų60.490%0.89829%0.291SS*.THydrogen-bonded Turntrans-99.4-10.3176-64.2-171.3-176.2-173.42.4114.7G45 A73G45-R47 PolarHBondContact O-N 2.91Å; R47-A73 HydrophobicContact CB-CB 4.44Å; R47-A73 HydrophobicContact CG-CB 4.26Å
48K87.8Confident92.2Very high104 Ų10460.1 Ų60.145%0.45230%0.296SS..EExtended strand (participates in β ladder)trans-85.6138.4177.9-74.7-170.3167.3-1580110.8L44 G45 F70L44-K48 WeakPolarHBondContact CA-O 3.44Å; G45-K48 PolarHBondContact N-O 3.3Å; G45-K48 PolarHBondContact O-N 2.84Å; K48-F70 HydrophobicContact CD-CB 3.84Å
49K93Very high91.9Very high140 Ų14059.9 Ų59.961%0.60930%0.299SS*.EExtended strand (participates in β ladder)trans-126.5124.7169.7176.6-177.8-172.7-164.60107.6V42 I43 L44V42-K49 HydrophobicContact CG1-CD 4.18Å; V42-K49 HydrophobicContact CG1-CG 3.83Å; I43-K49 WeakPolarHBondContact O-CA 3.14Å; L44-K49 HydrophobicContact CD2-CB 3.83Å; L44-K49 HydrophobicContact CD2-CD 4.24Å; L44-K49 HydrophobicContact CD2-CG 3.67Å
50I95Very high91.7Very high41 Ų4159.5 Ų59.521%0.2130%0.298CS..EExtended strand (participates in β ladder)trans-125.9144.7176.2-54.6178.6000106.9V42 I43 F66 T68 F70V42-I50 CarbonylContact C-O 3.58Å; V42-I50 WeakPolarHBondContact CA-O 3.11Å; I43-I50 HydrophobicContact CB-CB 4.45Å; I43-I50 PolarHBondContact N-O 2.74Å; I43-I50 PolarHBondContact O-N 2.76Å; I50-F66 HydrophobicContact CG2-CE1 4.02Å; I50-F66 HydrophobicContact CG2-CZ 3.92Å; I50-T68 HydrophobicContact CD1-CG2 3.99Å; I50-T68 WeakPolarHBondContact CD1-OG1 3.49Å; I50-T68 HydrophobicContact CG2-CG2 4.14Å; I50-F70 HydrophobicContact CD1-CB 4.03Å; I50-F70 HydrophobicContact CD1-CD1 4.28Å; I50-F70 HydrophobicContact CD1-CG 4.42Å
51S94.9Very high91.7Very high54 Ų5461.2 Ų61.238%0.37831%0.309SS..EExtended strand (participates in β ladder)trans-123.2141.9178.7-170.70000109.6
52T96.7Very high91.7Very high7 Ų761.3 Ų61.34%0.04331%0.309CS..  trans-66.1169.4157.268.80000109.8K40 C41 W64 F66K40-T52 WeakPolarHBondContact CA-OG1 3.14Å; C41-T52 HydrophobicContact CB-CG2 3.84Å; C41-T52 PolarHBondContact N-OG1 2.63Å; C41-T52 PolarHBondContact O-N 2.86Å; C41-T52 PolarHBondContact O-OG1 2.98Å; T52-W64 HydrophobicContact CG2-CB 4.2Å; T52-W64 HydrophobicContact CG2-CG 4.05Å; T52-W64 PolarHBondContact OG1-NE1 3.35Å; T52-F66 HydrophobicContact CG2-CB 3.83Å; T52-F66 HydrophobicContact CG2-CD1 3.78Å; T52-F66 HydrophobicContact CG2-CG 3.86Å
53E94Very high91.7Very high135 Ų13564.9 Ų64.963%0.63133%0.331SS*.  trans-64.6172.1161.158.1169.8-152.700113.2V55 W64E53-V55 HydrophobicContact CG-CG2 4.2Å; E53-W64 PolarHBondContact O-NE1 2.83Å
54C94.5Very high91.7Very high59 Ų5965.6 Ų65.640%0.39933%0.333SS..  trans-99.887.2-177.7-66.60000111.6K38 W39K38-C54 HydrophobicContact CB-CB 4.49Å; W39-C54 CarbonylContact O-C 3.51Å; W39-C54 WeakPolarHBondContact O-CA 3.31Å
55V95.4Very high91.8Very high27 Ų2766.7 Ų66.716%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-75.9130.3-177.6174.70000110.7K38 W39 E53 P62 V63 W64K38-V55 CarbonylContact C-O 3.56Å; K38-V55 VanDerWaalsContact CA-O 3.29Å; K38-V55 WeakPolarHBondContact CA-O 3.2Å; W39-V55 PolarHBondContact N-O 3.18Å; W39-V55 PolarHBondContact O-N 3.4Å; E53-V55 HydrophobicContact CG-CG2 4.2Å; V55-P62 HydrophobicContact CB-CB 4.11Å; V55-P62 HydrophobicContact CG1-CB 3.94Å; V55-V63 WeakPolarHBondContact CG2-O 3.17Å; V55-W64 HydrophobicContact CG2-CG 4.19Å
56Y94.2Very high92.2Very high141 Ų14169.5 Ų69.555%0.55335%0.352SS*.EExtended strand (participates in β ladder)trans-83112.8174.7179.6-104.5000110.5Q37 K38 P58Q37-Y56 HydrophobicContact CB-CD2 3.99Å; Q37-Y56 HydrophobicContact CB-CE2 3.65Å; Q37-Y56 WeakPolarHBondContact O-CA 3.4Å; Q37-Y56 WeakPolarHBondContact O-CD2 3.15Å; K38-Y56 HydrophobicContact CG-CD2 3.83Å; K38-Y56 HydrophobicContact CG-CG 4.42Å; Y56-P58 HydrophobicContact CE1-CG 4.08Å
57A92.1Very high93.1Very high8 Ų871.3 Ų71.37%0.06635%0.348CS..  trans-141.690.1178.400000108.8Q37 W39 D59 G60 P62Q37-A57 PolarHBondContact O-N 2.77Å; W39-A57 PolarHBondContact NE1-O 3.22Å; A57-D59 WeakPolarHBondContact CB-OD1 3.41Å; A57-D59 PolarHBondContact O-N 2.8Å; A57-G60 PolarHBondContact O-N 3.43Å; A57-P62 HydrophobicContact CB-CB 3.95Å
58P88Confident93.9Very high70 Ų7061.2 Ų61.246%0.45531%0.313SS..THydrogen-bonded Turntrans-70.1-13.3-170.529.3-36.1000114.4Q37 Y56Q37-P58 HydrophobicContact CB-CB 4.13Å; Q37-P58 HydrophobicContact CG-CB 4.01Å; Q37-P58 VanDerWaalsContact NE2-CB 3.32Å; Y56-P58 HydrophobicContact CE1-CG 4.08Å
59D87.9Confident94.2Very high95 Ų9559.3 Ų59.351%0.50831%0.31SS..THydrogen-bonded Turntrans-83.5-14.6172.863.1-16.8000113.7A57 N61A57-D59 WeakPolarHBondContact CB-OD1 3.41Å; A57-D59 PolarHBondContact O-N 2.8Å; D59-N61 PolarHBondContact OD1-N 3.17Å; D59-N61 WeakPolarHBondContact OD2-CB 3.45Å; D59-N61 PolarHBondContact OD2-ND2 3.11Å
60G90.9Very high94.2Very high1 Ų152.7 Ų52.71%0.0128%0.281CS..SBendtrans88.215.9-175.300000114.8N21 L22 A57 P62N21-G60 PolarHBondContact N-O 2.88Å; L22-G60 WeakPolarHBondContact CB-O 3.27Å; L22-G60 WeakPolarHBondContact CG-O 3.23Å; L22-G60 PolarHBondContact N-O 2.8Å; A57-G60 PolarHBondContact O-N 3.43Å; G60-P62 VanDerWaalsContact O-CD 3.24Å; G60-P62 WeakPolarHBondContact O-CD 3.31Å
61N95.1Very high94.1Very high57 Ų5755.8 Ų55.831%0.30529%0.293SS..  trans-116.258.6-176.4-50.9-50.4000113.8A19 E20 N21 D59A19-N61 CarbonylContact O-C 3.58Å; A19-N61 VanDerWaalsContact O-CA 3.24Å; A19-N61 WeakPolarHBondContact O-CA 3.29Å; E20-N61 VanDerWaalsContact CA-OD1 3.26Å; E20-N61 WeakPolarHBondContact CA-OD1 3.49Å; N21-N61 PolarHBondContact N-OD1 2.79Å; D59-N61 PolarHBondContact OD1-N 3.17Å; D59-N61 WeakPolarHBondContact OD2-CB 3.45Å; D59-N61 PolarHBondContact OD2-ND2 3.11Å
62P96.3Very high93.9Very high1 Ų153.4 Ų53.41%0.00628%0.276CS..  trans-68.7140.4-177.431.1-37000112.7K18 A19 L22 W39 V55 A57 G60 W64K18-P62 CarbonylContact C-O 3.58Å; K18-P62 WeakPolarHBondContact CA-O 3.33Å; K18-P62 WeakPolarHBondContact CB-O 3.41Å; A19-P62 HydrophobicContact CB-CG 4.17Å; A19-P62 PolarHBondContact N-O 2.63Å; L22-P62 HydrophobicContact CD1-CG 3.53Å; W39-P62 HydrophobicContact CB-CB 4.13Å; W39-P62 HydrophobicContact CB-CG 3.82Å; W39-P62 HydrophobicContact CG-CB 4.33Å; W39-P62 HydrophobicContact CG-CG 3.92Å; V55-P62 HydrophobicContact CB-CB 4.11Å; V55-P62 HydrophobicContact CG1-CB 3.94Å; A57-P62 HydrophobicContact CB-CB 3.95Å; G60-P62 VanDerWaalsContact O-CD 3.24Å; G60-P62 WeakPolarHBondContact O-CD 3.31Å; P62-W64 HydrophobicContact CB-CD2 4.49Å; P62-W64 HydrophobicContact CB-CH2 4.31Å; P62-W64 HydrophobicContact CB-CZ2 4.04Å; P62-W64 HydrophobicContact CG-CH2 3.54Å; P62-W64 HydrophobicContact CG-CZ2 3.67Å; P62-W64 HydrophobicContact CG-CZ3 3.98Å
63V96.6Very high93.2Very high79 Ų7955.4 Ų55.448%0.47929%0.294SS..EExtended strand (participates in β ladder)trans-107.2125.3166.6-1750000108Y17 K18 V55Y17-V63 HydrophobicContact CD2-CG1 4.37Å; Y17-V63 HydrophobicContact CE2-CG1 4.22Å; K18-V63 HydrophobicContact CB-CB 4.34Å; K18-V63 HydrophobicContact CB-CG1 4.43Å; K18-V63 HydrophobicContact CB-CG2 3.95Å; V55-V63 WeakPolarHBondContact CG2-O 3.17Å
64W96.5Very high92.7Very high17 Ų1752.5 Ų52.56%0.06429%0.285CS..EExtended strand (participates in β ladder)trans-110.1-34.4177-63.2-78.8000112.9V16 Y17 A19 L22 W39 C41 T52 E53 V55 P62 F66 V83 L136V16-W64 HydrophobicContact CG1-CD2 4.44Å; V16-W64 HydrophobicContact CG1-CE3 3.69Å; V16-W64 HydrophobicContact CG1-CZ3 4.12Å; Y17-W64 PolarHBondContact O-N 2.72Å; A19-W64 HydrophobicContact CB-CH2 4Å; A19-W64 HydrophobicContact CB-CZ3 3.74Å; L22-W64 HydrophobicContact CD1-CH2 4.12Å; W39-W64 HydrophobicContact CB-CZ2 3.78Å; W39-W64 PolarHBondContact O-NE1 3.1Å; C41-W64 HydrophobicContact CB-CE3 4.46Å; C41-W64 HydrophobicContact CB-CH2 4.15Å; C41-W64 HydrophobicContact CB-CZ2 4.23Å; C41-W64 HydrophobicContact CB-CZ3 4.28Å; T52-W64 HydrophobicContact CG2-CB 4.2Å; T52-W64 HydrophobicContact CG2-CG 4.05Å; T52-W64 PolarHBondContact OG1-NE1 3.35Å; E53-W64 PolarHBondContact O-NE1 2.83Å; V55-W64 HydrophobicContact CG2-CG 4.19Å; P62-W64 HydrophobicContact CB-CD2 4.49Å; P62-W64 HydrophobicContact CB-CH2 4.31Å; P62-W64 HydrophobicContact CB-CZ2 4.04Å; P62-W64 HydrophobicContact CG-CH2 3.54Å; P62-W64 HydrophobicContact CG-CZ2 3.67Å; P62-W64 HydrophobicContact CG-CZ3 3.98Å; W64-F66 HydrophobicContact CB-CB 4.23Å; W64-F66 PolarHBondContact O-N 3.13Å; W64-V83 HydrophobicContact CH2-CG1 4.16Å; W64-L136 HydrophobicContact CZ3-CD1 3.8Å
65N94.6Very high92.2Very high81 Ų8155.3 Ų55.343%0.43329%0.287SS..EExtended strand (participates in β ladder)trans45.934.7-174.7-16529000114.2R15 V16 Y17R15-N65 PolarHBondContact NE-OD1 2.88Å; R15-N65 PolarHBondContact NH2-OD1 3.02Å; V16-N65 CarbonylContact O-C 3.49Å; V16-N65 WeakPolarHBondContact O-CA 3.37Å; V16-N65 PolarHBondContact O-N 2.88Å; V16-N65 VanDerWaalsContact O-N 3.16Å; Y17-N65 PolarHBondContact O-N 3.12Å
66F96.4Very high91.5Very high61 Ų6156.4 Ų56.427%0.26830%0.304SS..EExtended strand (participates in β ladder)trans-94.4126.4-169.9174.9-91.9000111.3R15 V16 I43 I50 T52 W64 T68R15-F66 CarbonylContact C-O 3.57Å; R15-F66 WeakPolarHBondContact CA-O 3.48Å; V16-F66 PolarHBondContact N-O 3.02Å; V16-F66 PolarHBondContact O-N 2.84Å; I43-F66 HydrophobicContact CD1-CD1 4.27Å; I43-F66 HydrophobicContact CD1-CE1 4.13Å; I50-F66 HydrophobicContact CG2-CE1 4.02Å; I50-F66 HydrophobicContact CG2-CZ 3.92Å; T52-F66 HydrophobicContact CG2-CB 3.83Å; T52-F66 HydrophobicContact CG2-CD1 3.78Å; T52-F66 HydrophobicContact CG2-CG 3.86Å; W64-F66 HydrophobicContact CB-CB 4.23Å; W64-F66 PolarHBondContact O-N 3.13Å; F66-T68 HydrophobicContact CE1-CG2 3.83Å
67E96Very high91.3Very high81 Ų8151.6 Ų51.638%0.37929%0.288SS..EExtended strand (participates in β ladder)trans-112.3139.6179-163.6164.3136.100111.9T13 V14 R15T13-E67 HydrophobicContact CG2-CG 3.79Å; V14-E67 CarbonylContact O-C 3.6Å; V14-E67 WeakPolarHBondContact O-CA 3.46Å; R15-E67 HydrophobicContact CB-CB 4.25Å; R15-E67 HydrophobicContact CB-CG 3.98Å; R15-E67 VanDerWaalsContact CD-OE2 3.25Å; R15-E67 WeakPolarHBondContact CD-OE2 3.44Å; R15-E67 HydrophobicContact CG-CB 4.05Å; R15-E67 HydrophobicContact CG-CG 4.25Å; R15-E67 IonicContact CZ-OE2 2.66Å; R15-E67 IonicContact NE-OE2 2.65Å; R15-E67 IonicContact NH1-OE2 2.67Å; R15-E67 PolarHBondContact NH1-OE2 2.85Å
68T95.5Very high91.3Very high26 Ų2653.5 Ų53.516%0.1630%0.299CS..EExtended strand (participates in β ladder)trans-154143.2175.7-162.90000113.1T13 V14 I43 I50 F66 F70T13-T68 WeakPolarHBondContact CA-O 3.38Å; V14-T68 PolarHBondContact N-O 2.85Å; V14-T68 PolarHBondContact O-N 3.08Å; I43-T68 HydrophobicContact CD1-CG2 3.54Å; I50-T68 HydrophobicContact CD1-CG2 3.99Å; I50-T68 WeakPolarHBondContact CD1-OG1 3.49Å; I50-T68 HydrophobicContact CG2-CG2 4.14Å; F66-T68 HydrophobicContact CE1-CG2 3.83Å; T68-F70 HydrophobicContact CG2-CD1 4.26Å
69T94.8Very high91.6Very high64 Ų6450.1 Ų50.139%0.39328%0.278SS..EExtended strand (participates in β ladder)trans-111.1134.1177.6-52.30000110.5E11 V12 T13 E143E11-T69 HydrophobicContact CG-CG2 3.54Å; V12-T69 WeakPolarHBondContact O-CA 3.33Å; T13-T69 WeakPolarHBondContact OG1-CG2 3.43Å; T13-T69 PolarHBondContact OG1-OG1 3.27Å; T69-E143 HydrophobicContact CG2-CG 4.03Å
70F93.8Very high92Very high1 Ų146.7 Ų46.70%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-150.2153-17962.6-87.7000114.9E11 V12 V14 I43 K48 I50 T68 I72 V79E11-F70 WeakPolarHBondContact CA-O 3.38Å; V12-F70 HydrophobicContact CG1-CZ 4.5Å; V12-F70 PolarHBondContact N-O 2.99Å; V12-F70 PolarHBondContact O-N 2.94Å; V14-F70 HydrophobicContact CB-CE1 4.38Å; V14-F70 HydrophobicContact CG2-CE1 3.69Å; V14-F70 HydrophobicContact CG2-CZ 4.07Å; I43-F70 HydrophobicContact CG2-CD1 4.35Å; I43-F70 HydrophobicContact CG2-CE1 3.55Å; I43-F70 HydrophobicContact CG2-CZ 3.87Å; K48-F70 HydrophobicContact CD-CB 3.84Å; I50-F70 HydrophobicContact CD1-CB 4.03Å; I50-F70 HydrophobicContact CD1-CD1 4.28Å; I50-F70 HydrophobicContact CD1-CG 4.42Å; T68-F70 HydrophobicContact CG2-CD1 4.26Å; F70-I72 HydrophobicContact CD2-CG1 4.31Å; F70-I72 HydrophobicContact CE2-CG1 3.95Å; F70-V79 HydrophobicContact CE2-CG2 4Å; F70-V79 HydrophobicContact CZ-CB 4.44Å; F70-V79 HydrophobicContact CZ-CG1 3.83Å; F70-V79 HydrophobicContact CZ-CG2 3.74Å
71K91.9Very high92.3Very high106 Ų10646.6 Ų46.646%0.46126%0.259SS..EExtended strand (participates in β ladder)trans-85.7124.8177.6-58.6-174.5172.71710111.2K10 E11K10-K71 CarbonylContact O-C 3.53Å; K10-K71 VanDerWaalsContact O-CA 3.24Å; K10-K71 WeakPolarHBondContact O-CA 3.46Å; E11-K71 HydrophobicContact CB-CG 4.38Å; E11-K71 HydrophobicContact CG-CG 4.32Å; E11-K71 WeakPolarHBondContact OE1-CE 3.49Å; E11-K71 WeakPolarHBondContact OE1-CG 3.48Å; E11-K71 WeakPolarHBondContact OE2-CE 3.21Å; E11-K71 IonicContact OE2-NZ 3.14Å; E11-K71 PolarHBondContact OE2-NZ 2.87Å
72I89.9Confident92.4Very high5 Ų544.9 Ų44.93%0.02625%0.25CC..  trans-82.7125.8178.8-65.7-179.1000109.2P9 K10 V12 F70 T74 D77 V79 R146P9-I72 HydrophobicContact CB-CD1 4.26Å; P9-I72 HydrophobicContact CG-CD1 3.93Å; K10-I72 PolarHBondContact O-N 2.91Å; V12-I72 HydrophobicContact CB-CD1 4.22Å; V12-I72 HydrophobicContact CG2-CD1 3.56Å; V12-I72 HydrophobicContact CG2-CG1 4.37Å; F70-I72 HydrophobicContact CD2-CG1 4.31Å; F70-I72 HydrophobicContact CE2-CG1 3.95Å; I72-T74 PolarHBondContact O-N 2.85Å; I72-D77 HydrophobicContact CG2-CB 3.59Å; I72-V79 HydrophobicContact CD1-CG2 3.84Å; I72-R146 PolarHBondContact O-NH2 2.81Å
73A82.8Confident92.4Very high49 Ų4944.8 Ų44.841%0.40525%0.25SC..SBendtrans-64.9-45.7-165.800000114.5R47 R146R47-A73 HydrophobicContact CB-CB 4.44Å; R47-A73 HydrophobicContact CG-CB 4.26Å; A73-R146 PolarHBondContact O-NH2 2.7Å
74T83Confident92.2Very high73 Ų7341.1 Ų41.145%0.44823%0.227SC..SBendtrans-123.7170.1-177.277.90000112.7I72 G76 D77 R146I72-T74 PolarHBondContact O-N 2.85Å; T74-G76 PolarHBondContact O-N 2.88Å; T74-D77 WeakPolarHBondContact CA-OD2 3.3Å; T74-D77 WeakPolarHBondContact CB-OD2 3.22Å; T74-D77 PolarHBondContact N-OD2 2.9Å; T74-D77 PolarHBondContact OG1-OD1 3.39Å; T74-D77 PolarHBondContact OG1-OD2 3.48Å; T74-R146 PolarHBondContact O-NH1 3.24Å; T74-R146 PolarHBondContact O-NH2 2.94Å
75R83.7Confident92Very high119 Ų11940.4 Ų40.445%0.44923%0.225SC..THydrogen-bonded Turntrans-77112171.5-76.4-177.8176135.6-1.5108.9H8 E149H8-R75 HydrophobicContact CB-CB 4.36Å; H8-R75 HydrophobicContact CB-CG 4.01Å; R75-E149 IonicContact CZ-OE2 2.68Å; R75-E149 IonicContact NH1-OE2 3.94Å; R75-E149 PolarHBondContact NH1-OE2 2.83Å; R75-E149 IonicContact NH2-OE2 2.86Å; R75-E149 PolarHBondContact NH2-OE2 3.15Å
76G81.9Confident91.7Very high50 Ų5038.9 Ų38.952%0.51522%0.22SC..THydrogen-bonded Turntrans107.6-7175.800000115.5T74T74-G76 PolarHBondContact O-N 2.88Å
77D88.7Confident91.3Very high39 Ų3940 Ų4021%0.20923%0.227CC..PPolyproline II helixtrans-54.6131.5168.3-76.7-37.9000110.3I72 T74I72-D77 HydrophobicContact CG2-CB 3.59Å; T74-D77 WeakPolarHBondContact CA-OD2 3.3Å; T74-D77 WeakPolarHBondContact CB-OD2 3.22Å; T74-D77 PolarHBondContact N-OD2 2.9Å; T74-D77 PolarHBondContact OG1-OD1 3.39Å; T74-D77 PolarHBondContact OG1-OD2 3.48Å
78P93Very high90.9Very high48 Ų4839.5 Ų39.531%0.31223%0.226SC..PPolyproline II helixtrans-77.2163.516933.6-34.8000111.2V80 V95 V96P78-V80 HydrophobicContact CG-CG2 4.25Å; P78-V95 HydrophobicContact CB-CG1 3.86Å; P78-V95 HydrophobicContact CG-CG1 4.25Å; P78-V96 WeakPolarHBondContact CA-O 3.14Å; P78-V96 WeakPolarHBondContact CB-O 2.96Å
79V95.2Very high90.6Very high0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-92.2129.9160.8175.90000107.7V12 V14 I43 L44 F70 I72 L81 V96 I101 I140V12-V79 HydrophobicContact CG1-CG2 4.45Å; V14-V79 HydrophobicContact CG2-CG1 4.1Å; I43-V79 HydrophobicContact CG2-CG1 4.34Å; L44-V79 WeakPolarHBondContact O-CA 3.41Å; F70-V79 HydrophobicContact CE2-CG2 4Å; F70-V79 HydrophobicContact CZ-CB 4.44Å; F70-V79 HydrophobicContact CZ-CG1 3.83Å; F70-V79 HydrophobicContact CZ-CG2 3.74Å; I72-V79 HydrophobicContact CD1-CG2 3.84Å; V79-L81 HydrophobicContact CG1-CD2 4Å; V79-V96 PolarHBondContact N-O 2.74Å; V79-V96 PolarHBondContact O-N 3.1Å; V79-I101 HydrophobicContact CG2-CD1 3.9Å; V79-I140 HydrophobicContact CB-CD1 4.1Å; V79-I140 HydrophobicContact CG1-CD1 4.05Å; V79-I140 HydrophobicContact CG2-CD1 4.22Å
80V95.7Very high90.4Very high22 Ų2237.3 Ų37.313%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-119.2125177.3-173.10000110L44 P78 Q93 V94 V95L44-V80 HydrophobicContact CB-CB 4.19Å; L44-V80 HydrophobicContact CD1-CB 4.4Å; L44-V80 PolarHBondContact N-O 3.4Å; L44-V80 PolarHBondContact O-N 2.86Å; P78-V80 HydrophobicContact CG-CG2 4.25Å; V80-Q93 HydrophobicContact CG1-CB 4.07Å; V80-Q93 HydrophobicContact CG1-CG 4.49Å; V80-V94 CarbonylContact C-O 3.5Å; V80-V94 WeakPolarHBondContact CA-O 3.44Å; V80-V95 HydrophobicContact CG1-CG2 4.08Å; V80-V95 HydrophobicContact CG2-CG1 4.28Å; V80-V95 HydrophobicContact CG2-CG2 4.08Å
81L97.2Very high90.4Very high0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-101.194.8176.1-48.1180000107.6V14 I43 V79 Q93 V94 L136 F138V14-L81 HydrophobicContact CG1-CD2 3.89Å; I43-L81 HydrophobicContact CB-CD2 4.35Å; I43-L81 HydrophobicContact CG1-CD2 3.94Å; I43-L81 HydrophobicContact CG2-CD2 4.01Å; V79-L81 HydrophobicContact CG1-CD2 4Å; L81-Q93 CarbonylContact O-C 3.56Å; L81-Q93 VanDerWaalsContact O-CA 3.24Å; L81-Q93 WeakPolarHBondContact O-CA 3.39Å; L81-V94 HydrophobicContact CB-CB 4.32Å; L81-V94 PolarHBondContact N-O 3.04Å; L81-V94 PolarHBondContact O-N 3.33Å; L81-L136 HydrophobicContact CB-CD2 3.73Å; L81-L136 HydrophobicContact CD1-CD2 3.75Å; L81-L136 HydrophobicContact CG-CD2 4.39Å; L81-F138 HydrophobicContact CD1-CB 4.3Å; L81-F138 HydrophobicContact CD1-CD1 3.78Å; L81-F138 HydrophobicContact CD1-CD2 3.59Å; L81-F138 HydrophobicContact CD1-CE1 3.92Å; L81-F138 HydrophobicContact CD1-CE2 3.73Å; L81-F138 HydrophobicContact CD1-CG 3.61Å; L81-F138 HydrophobicContact CD1-CZ 3.89Å
82L96.4Very high90.5Very high20 Ų2032.2 Ų32.211%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-91.7116.9-177.4171.366.9000109.9V42 L44 H90 Q93 T126V42-L82 HydrophobicContact CB-CB 4.22Å; V42-L82 WeakPolarHBondContact CB-O 3.47Å; V42-L82 PolarHBondContact N-O 2.85Å; V42-L82 PolarHBondContact O-N 3.26Å; L44-L82 HydrophobicContact CD1-CB 4.47Å; L44-L82 HydrophobicContact CD1-CD2 4.48Å; L82-H90 HydrophobicContact CD1-CB 4.25Å; L82-Q93 HydrophobicContact CD1-CB 4.16Å; L82-T126 HydrophobicContact CD1-CG2 3.9Å
83V96.3Very high90.8Very high0 Ų034.2 Ų34.20%020%0.197CC..EExtended strand (participates in β ladder)trans-93.3133.3176.9-174.30000110L22 W64 V91 G92 M123 L136L22-V83 HydrophobicContact CD1-CG1 3.61Å; L22-V83 HydrophobicContact CD2-CG1 3.87Å; L22-V83 HydrophobicContact CG-CG1 4.39Å; W64-V83 HydrophobicContact CH2-CG1 4.16Å; V83-V91 HydrophobicContact CB-CB 4.34Å; V83-V91 HydrophobicContact CG1-CB 4.15Å; V83-V91 HydrophobicContact CG1-CG2 4.37Å; V83-V91 PolarHBondContact O-N 3.05Å; V83-G92 PolarHBondContact N-O 2.77Å; V83-G92 PolarHBondContact O-N 2.96Å; V83-M123 HydrophobicContact CB-SD 4.22Å; V83-M123 HydrophobicContact CG2-SD 3.83Å; V83-L136 HydrophobicContact CG2-CD1 4.26Å; V83-L136 HydrophobicContact CG2-CD2 4.43Å
84S93.9Very high91.5Very high1 Ų131.9 Ų31.91%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-144.2159.7-177.452.60000111.8W39 K40 N89W39-S84 WeakPolarHBondContact CA-O 3.39Å; K40-S84 VanDerWaalsContact CE-OG 3.26Å; K40-S84 WeakPolarHBondContact CE-OG 3.43Å; K40-S84 VanDerWaalsContact CG-OG 3.25Å; K40-S84 WeakPolarHBondContact CG-OG 3.3Å; K40-S84 PolarHBondContact N-O 3.04Å; K40-S84 PolarHBondContact O-N 3.28Å; K40-S84 PolarHBondContact O-OG 3.25Å; S84-N89 CarbonylContact C-O 3.46Å; S84-N89 WeakPolarHBondContact CA-O 3.35Å; S84-N89 VanDerWaalsContact CB-O 3.29Å; S84-N89 WeakPolarHBondContact CB-O 3.36Å
85D91.7Very high92.1Very high2 Ų230.4 Ų30.41%0.01117%0.169CC..EExtended strand (participates in β ladder)trans-80.6176.8169.278.4-2.3000111.6V24 K38 W39 K40 E87 D88 N89V24-D85 HydrophobicContact CG2-CB 4Å; K38-D85 CarbonylContact O-C 3.58Å; K38-D85 VanDerWaalsContact O-CA 3.25Å; K38-D85 WeakPolarHBondContact O-CA 3.33Å; W39-D85 HydrophobicContact CE3-CB 4.23Å; W39-D85 HydrophobicContact CZ3-CB 4.25Å; K40-D85 VanDerWaalsContact CE-O 3.26Å; K40-D85 WeakPolarHBondContact CE-O 3.46Å; D85-E87 PolarHBondContact O-N 3.38Å; D85-E87 VanDerWaalsContact OD1-C 3.29Å; D85-E87 WeakPolarHBondContact OD1-CA 3.37Å; D85-E87 PolarHBondContact OD1-N 2.71Å; D85-D88 PolarHBondContact O-N 3.24Å; D85-D88 VanDerWaalsContact O-N 3.16Å; D85-D88 PolarHBondContact OD1-N 3.43Å; D85-N89 PolarHBondContact N-O 2.78Å; D85-N89 WeakPolarHBondContact OD1-CB 3.41Å; D85-N89 PolarHBondContact OD1-N 3.23Å; D85-N89 PolarHBondContact OD1-ND2 3.29Å; D85-N89 PolarHBondContact OD2-ND2 3.08Å
86S88.9Confident92.6Very high49 Ų4925.3 Ų25.334%0.34315%0.151SC..THydrogen-bonded Turntrans-67.5-11.8177.670.70000114.4S36 K38S36-S86 PolarHBondContact OG-OG 2.85Å; K38-S86 PolarHBondContact O-N 2.83Å
87E86.8Confident93.1Very high86 Ų8625.9 Ų25.940%0.40215%0.145SC..THydrogen-bonded Turntrans-96.48.6175-66.4-164.9-177.100112.9K33 D85 N89K33-E87 IonicContact NZ-OE2 3.69Å; K33-E87 PolarHBondContact NZ-OE2 3.13Å; D85-E87 PolarHBondContact O-N 3.38Å; D85-E87 VanDerWaalsContact OD1-C 3.29Å; D85-E87 WeakPolarHBondContact OD1-CA 3.37Å; D85-E87 PolarHBondContact OD1-N 2.71Å; E87-N89 PolarHBondContact O-N 2.83Å
88D88.2Confident93.1Very high69 Ų6924.3 Ų24.337%0.36914%0.138SC..  trans60.324.2-174.4-73.6-80.6000114.1K40 D85 K128K40-D88 VanDerWaalsContact CE-OD1 3.31Å; K40-D88 WeakPolarHBondContact CE-OD1 3.15Å; K40-D88 IonicContact NZ-OD1 2.63Å; K40-D88 PolarHBondContact NZ-OD1 3.31Å; K40-D88 IonicContact NZ-OD2 3.77Å; K40-D88 PolarHBondContact NZ-OD2 3.37Å; D85-D88 PolarHBondContact O-N 3.24Å; D85-D88 VanDerWaalsContact O-N 3.16Å; D85-D88 PolarHBondContact OD1-N 3.43Å; D88-K128 PolarHBondContact O-NZ 2.89Å
89N88.7Confident92.8Very high17 Ų1726 Ų269%0.09115%0.148CC..  trans-72.2132.7159-54.8-68000108.1V24 R27 S84 D85 E87V24-N89 HydrophobicContact CG1-CB 3.71Å; V24-N89 HydrophobicContact CG2-CB 4.48Å; R27-N89 PolarHBondContact NH1-OD1 2.91Å; S84-N89 CarbonylContact C-O 3.46Å; S84-N89 WeakPolarHBondContact CA-O 3.35Å; S84-N89 VanDerWaalsContact CB-O 3.29Å; S84-N89 WeakPolarHBondContact CB-O 3.36Å; D85-N89 PolarHBondContact N-O 2.78Å; D85-N89 WeakPolarHBondContact OD1-CB 3.41Å; D85-N89 PolarHBondContact OD1-N 3.23Å; D85-N89 PolarHBondContact OD1-ND2 3.29Å; D85-N89 PolarHBondContact OD2-ND2 3.08Å; E87-N89 PolarHBondContact O-N 2.83Å
90H91.8Very high92.6Very high28 Ų2830.4 Ų30.413%0.1318%0.175CC..EExtended strand (participates in β ladder)trans-85.1136.5-178.7-60175.3000110.7L82 T126 K128 T129L82-H90 HydrophobicContact CD1-CB 4.25Å; H90-T126 HydrophobicContact CB-CG2 4.09Å; H90-T126 WeakPolarHBondContact CB-OG1 3.48Å; H90-T126 PolarHBondContact ND1-OG1 3.27Å; H90-K128 HydrophobicContact CB-CB 4.29Å; H90-K128 PolarHBondContact CD2-NZ 2.84Å; H90-K128 WeakPolarHBondContact NE2-CE 3.4Å; H90-K128 PolarHBondContact NE2-NZ 3.45Å; H90-T129 WeakPolarHBondContact CB-OG1 3.39Å; H90-T129 PolarHBondContact O-OG1 2.75Å
91V92.2Very high92.4Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-89-38.5171.7177.20000111L22 V24 W39 V83 G132 F133L22-V91 HydrophobicContact CB-CG1 4.11Å; L22-V91 HydrophobicContact CD2-CG1 3.79Å; L22-V91 HydrophobicContact CG-CG1 4.49Å; V24-V91 HydrophobicContact CG2-CG2 4.13Å; W39-V91 HydrophobicContact CE3-CG2 3.75Å; W39-V91 HydrophobicContact CH2-CG2 4.43Å; W39-V91 HydrophobicContact CZ3-CG2 3.37Å; V83-V91 HydrophobicContact CB-CB 4.34Å; V83-V91 HydrophobicContact CG1-CB 4.15Å; V83-V91 HydrophobicContact CG1-CG2 4.37Å; V83-V91 PolarHBondContact O-N 3.05Å; V91-G132 WeakPolarHBondContact O-CA 3.42Å; V91-F133 HydrophobicContact CG1-CB 4.39Å; V91-F133 VanDerWaalsContact CG1-O 3.23Å; V91-F133 WeakPolarHBondContact CG1-O 3.28Å; V91-F133 PolarHBondContact O-N 3.3Å
92G94.7Very high92.1Very high0 Ų032.3 Ų32.30%019%0.187CC..EExtended strand (participates in β ladder)trans167.9178.1-172.100000111.1V83 E124 T126V83-G92 PolarHBondContact N-O 2.77Å; V83-G92 PolarHBondContact O-N 2.96Å; G92-E124 CarbonylContact C-O 3.37Å; G92-E124 VanDerWaalsContact CA-O 3.29Å; G92-E124 WeakPolarHBondContact CA-O 3.38Å; G92-T126 VanDerWaalsContact C-CG2 3.47Å
93Q96.4Very high91.9Very high47 Ų4734.9 Ų34.922%0.2221%0.205CC..EExtended strand (participates in β ladder)trans-142.2163.2174.868.9-176.132.500111.8V80 L81 L82 V95 E124 Q125 T126V80-Q93 HydrophobicContact CG1-CB 4.07Å; V80-Q93 HydrophobicContact CG1-CG 4.49Å; L81-Q93 CarbonylContact O-C 3.56Å; L81-Q93 VanDerWaalsContact O-CA 3.24Å; L81-Q93 WeakPolarHBondContact O-CA 3.39Å; L82-Q93 HydrophobicContact CD1-CB 4.16Å; Q93-V95 HydrophobicContact CG-CG2 4.4Å; Q93-E124 HydrophobicContact CG-CB 4.09Å; Q93-E124 PolarHBondContact N-O 3.48Å; Q93-E124 WeakPolarHBondContact O-CA 3.2Å; Q93-E124 VanDerWaalsContact O-CB 3.31Å; Q93-E124 WeakPolarHBondContact O-CB 3.31Å; Q93-E124 PolarHBondContact O-N 2.85Å; Q93-Q125 WeakPolarHBondContact CG-O 3.37Å; Q93-Q125 PolarHBondContact NE2-O 3.42Å; Q93-T126 HydrophobicContact CB-CG2 4.02Å; Q93-T126 HydrophobicContact CG-CG2 4.04Å
94V96.6Very high91.6Very high0 Ų038.8 Ų38.80%022%0.222CC..EExtended strand (participates in β ladder)trans-123.7127.4165.31650000108.5V80 L81 V96 M121 M123 F138V80-V94 CarbonylContact C-O 3.5Å; V80-V94 WeakPolarHBondContact CA-O 3.44Å; L81-V94 HydrophobicContact CB-CB 4.32Å; L81-V94 PolarHBondContact N-O 3.04Å; L81-V94 PolarHBondContact O-N 3.33Å; V94-V96 HydrophobicContact CG1-CG2 4.01Å; V94-M121 HydrophobicContact CG1-CB 4.14Å; V94-M121 HydrophobicContact CG1-CE 3.86Å; V94-M121 HydrophobicContact CG1-CG 4.37Å; V94-M121 HydrophobicContact CG1-SD 3.45Å; V94-M121 WeakPolarHBondContact CG1-SD 3.38Å; V94-M121 HydrophobicContact CG2-CB 3.75Å; V94-M123 HydrophobicContact CG2-CE 3.48Å; V94-M123 VanDerWaalsContact CG2-CE 3.48Å; V94-F138 HydrophobicContact CG1-CE1 3.97Å; V94-F138 HydrophobicContact CG1-CZ 3.91Å
95V95.2Very high91.2Very high42 Ų4240.4 Ų40.426%0.25523%0.233SC..EExtended strand (participates in β ladder)trans-106.3113.7178.4-178.90000109.6P78 V80 Q93 P97 E124P78-V95 HydrophobicContact CB-CG1 3.86Å; P78-V95 HydrophobicContact CG-CG1 4.25Å; V80-V95 HydrophobicContact CG1-CG2 4.08Å; V80-V95 HydrophobicContact CG2-CG1 4.28Å; V80-V95 HydrophobicContact CG2-CG2 4.08Å; Q93-V95 HydrophobicContact CG-CG2 4.4Å; V95-P97 WeakPolarHBondContact O-CD 3.25Å; V95-E124 WeakPolarHBondContact CG2-OE2 3.4Å
96V94.5Very high90.6Very high12 Ų1247.5 Ų47.57%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-104109.2176.2-170.10000109.3P78 V79 V94 G98 I101 F138 I140P78-V96 WeakPolarHBondContact CA-O 3.14Å; P78-V96 WeakPolarHBondContact CB-O 2.96Å; V79-V96 PolarHBondContact N-O 2.74Å; V79-V96 PolarHBondContact O-N 3.1Å; V94-V96 HydrophobicContact CG1-CG2 4.01Å; V96-G98 PolarHBondContact O-N 2.87Å; V96-I101 HydrophobicContact CG1-CG1 3.8Å; V96-F138 HydrophobicContact CG2-CE2 4.01Å; V96-F138 HydrophobicContact CG2-CZ 3.91Å; V96-I140 HydrophobicContact CB-CD1 4.38Å; V96-I140 HydrophobicContact CG1-CD1 4.26Å
97P92.5Very high89.9Confident61 Ų6149.1 Ų49.140%0.39628%0.281SS..  trans-61.4133.6176.1-22.533.5000111.5V95 V99 T100V95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-V99 HydrophobicContact CB-CG2 4.37Å; P97-V99 PolarHBondContact O-N 2.94Å; P97-T100 HydrophobicContact CB-CG2 4.26Å; P97-T100 HydrophobicContact CG-CG2 4.44Å; P97-T100 PolarHBondContact O-N 2.79Å; P97-T100 PolarHBondContact O-OG1 2.94Å
98G89.5Confident89.3Confident6 Ų651.3 Ų51.36%0.06230%0.303CS..THydrogen-bonded Turntrans-58.7-18.1-175.900000115.4P9 V96P9-G98 WeakPolarHBondContact CD-O 3.35Å; P9-G98 VanDerWaalsContact CG-O 3.31Å; P9-G98 WeakPolarHBondContact CG-O 3.44Å; V96-G98 PolarHBondContact O-N 2.87Å
99V87Confident88.4Confident85 Ų8552.6 Ų52.652%0.51532%0.317SS..THydrogen-bonded Turntrans-86.1-9.5176.4-60.50000114.3I6 P97I6-V99 HydrophobicContact CG2-CB 4.35Å; I6-V99 HydrophobicContact CG2-CG1 3.6Å; P97-V99 HydrophobicContact CB-CG2 4.37Å; P97-V99 PolarHBondContact O-N 2.94Å
100T90.1Very high87.6Confident91 Ų9154.6 Ų54.656%0.55833%0.33SS*.THydrogen-bonded Turntrans-101.5-4176.863.30000112.9P97P97-T100 HydrophobicContact CB-CG2 4.26Å; P97-T100 HydrophobicContact CG-CG2 4.44Å; P97-T100 PolarHBondContact O-N 2.79Å; P97-T100 PolarHBondContact O-OG1 2.94Å
101I92.2Very high86.9Confident8 Ų856.3 Ų56.34%0.04135%0.345CS..PPolyproline II helixtrans-72.9123.2179.9-56.7176.9000108.8V12 V79 V96 I140 V142V12-I101 HydrophobicContact CG1-CD1 4.15Å; V12-I101 HydrophobicContact CG1-CG2 4.42Å; V12-I101 HydrophobicContact CG2-CD1 4.05Å; V79-I101 HydrophobicContact CG2-CD1 3.9Å; V96-I101 HydrophobicContact CG1-CG1 3.8Å; I101-I140 HydrophobicContact CD1-CD1 3.79Å; I101-I140 HydrophobicContact CD1-CG1 4.39Å; I101-I140 HydrophobicContact CG1-CD1 4.07Å; I101-I140 HydrophobicContact CG2-CD1 4.38Å; I101-I140 HydrophobicContact CG2-CG1 3.89Å; I101-I140 HydrophobicContact CG2-CG2 4.45Å; I101-V142 HydrophobicContact CB-CG2 3.91Å; I101-V142 HydrophobicContact CG2-CG2 3.6Å
102P91.2Very high86.2Confident55 Ų5558.7 Ų58.736%0.35736%0.357SS..PPolyproline II helixtrans-68.6154-179.829.6-35.5000111.2I140 W141 V142P102-I140 WeakPolarHBondContact CG-O 3.26Å; P102-W141 CarbonylContact O-C 3.55Å; P102-W141 VanDerWaalsContact O-CA 3.26Å; P102-W141 WeakPolarHBondContact O-CA 3.29Å; P102-V142 PolarHBondContact O-N 2.73Å
103P90.8Very high85.6Confident74 Ų7460.7 Ų60.748%0.48137%0.369SS..BIsolated β-bridgetrans-62.6160169.329.5-35.9000111R117 Y145P103-R117 PolarHBondContact O-NH2 3.21Å; P103-R117 VanDerWaalsContact O-NH2 3.08Å; P103-Y145 HydrophobicContact CB-CE2 4.12Å
104K90.3Very high84.8Confident81 Ų8163.2 Ų63.235%0.35238%0.381SS..PPolyproline II helixtrans-58135.5158.9-163.2161.6-175.2159.90109.1L112 V142 E143K104-L112 HydrophobicContact CG-CD2 3.88Å; K104-V142 WeakPolarHBondContact CB-O 3.21Å; K104-V142 PolarHBondContact N-O 3.05Å; K104-E143 WeakPolarHBondContact CD-OE2 3.23Å; K104-E143 IonicContact NZ-OE1 2.63Å; K104-E143 PolarHBondContact NZ-OE1 2.95Å; K104-E143 IonicContact NZ-OE2 2.62Å; K104-E143 PolarHBondContact NZ-OE2 2.85Å
105P84.8Confident84.3Confident36 Ų3669.1 Ų69.123%0.23441%0.413CS..PPolyproline II helixtrans-58.8137.3171.1-19.432.9000110.1D107 V110 L112P105-D107 VanDerWaalsContact C-N 3.34Å; P105-V110 HydrophobicContact CB-CB 4.26Å; P105-V110 HydrophobicContact CB-CG1 4.33Å; P105-V110 HydrophobicContact CG-CG1 4.25Å; P105-L112 VanDerWaalsContact CD-CD2 3.49Å; P105-L112 HydrophobicContact CG-CD2 4.11Å
106T79.1Confident83.8Confident150 Ų15071.9 Ų71.992%0.9243%0.434SS*.SBendtrans-78.8-23.3174.3-37.60000112
107D76.1Confident83.5Confident84 Ų8473.4 Ų73.445%0.44944%0.438SS..  trans-83.6119.9-178.1-172.9-27.3000110.4P105 S109 V110P105-D107 VanDerWaalsContact C-N 3.34Å; D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.29Å; D107-S109 VanDerWaalsContact OD1-CB 3.3Å; D107-S109 WeakPolarHBondContact OD1-CB 3.19Å; D107-S109 PolarHBondContact OD1-N 3.21Å; D107-S109 PolarHBondContact OD1-OG 3Å; D107-S109 PolarHBondContact OD2-OG 3.47Å; D107-V110 HydrophobicContact CB-CG2 4.09Å; D107-V110 PolarHBondContact O-N 2.81Å
108P72.7Confident83.5Confident132 Ų13272.2 Ų72.286%0.85743%0.428SS*.THydrogen-bonded Turntrans-71.2-15.9-179.230.6-36000113.8V110P108-V110 VanDerWaalsContact C-N 3.31Å
109S69.9Low83.7Confident95 Ų9573.8 Ų73.866%0.66444%0.438SS*.THydrogen-bonded Turntrans-72.8-25.2175.270.90000112.6D107 S111D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.29Å; D107-S109 VanDerWaalsContact OD1-CB 3.3Å; D107-S109 WeakPolarHBondContact OD1-CB 3.19Å; D107-S109 PolarHBondContact OD1-N 3.21Å; D107-S109 PolarHBondContact OD1-OG 3Å; D107-S109 PolarHBondContact OD2-OG 3.47Å; S109-S111 PolarHBondContact O-N 3.05Å; S109-S111 VanDerWaalsContact O-N 3.16Å
110V71.5Confident84.1Confident59 Ų5974.2 Ų74.236%0.35844%0.437SS..SBendtrans-83.895.2-178.3-177.50000109.8P105 D107 P108 L112P105-V110 HydrophobicContact CB-CB 4.26Å; P105-V110 HydrophobicContact CB-CG1 4.33Å; P105-V110 HydrophobicContact CG-CG1 4.25Å; D107-V110 HydrophobicContact CB-CG2 4.09Å; D107-V110 PolarHBondContact O-N 2.81Å; P108-V110 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 3.18Å
111S77Confident84.4Confident64 Ų6473.1 Ų73.145%0.44843%0.426SS..  trans-48126.2174.1176.30000111.6S109 T113 H114S109-S111 PolarHBondContact O-N 3.05Å; S109-S111 VanDerWaalsContact O-N 3.16Å; S111-T113 PolarHBondContact O-N 3.01Å; S111-T113 VanDerWaalsContact O-N 3.13Å; S111-H114 VanDerWaalsContact O-CB 3.27Å; S111-H114 WeakPolarHBondContact O-CB 3.12Å; S111-H114 PolarHBondContact O-N 3.11Å
112L78.4Confident84.5Confident51 Ų5176.3 Ų76.327%0.26744%0.44SS..THydrogen-bonded Turntrans-56.8-33-177.6-62.9177.9000112.1K104 P105 V110 R117 W141K104-L112 HydrophobicContact CG-CD2 3.88Å; P105-L112 VanDerWaalsContact CD-CD2 3.49Å; P105-L112 HydrophobicContact CG-CD2 4.11Å; V110-L112 PolarHBondContact O-N 3.18Å; L112-R117 PolarHBondContact O-NH1 3.4Å; L112-W141 HydrophobicContact CB-CH2 4.07Å; L112-W141 HydrophobicContact CB-CZ2 4.26Å; L112-W141 HydrophobicContact CB-CZ3 4.32Å; L112-W141 HydrophobicContact CD1-CH2 4.39Å; L112-W141 HydrophobicContact CD1-CZ2 3.82Å
113T81.1Confident84.7Confident41 Ų4174.4 Ų74.425%0.25243%0.427SS..THydrogen-bonded Turntrans-100.723179.5600000113R15 S111 W139R15-T113 VanDerWaalsContact CD-CG2 3.46Å; S111-T113 PolarHBondContact O-N 3.01Å; S111-T113 VanDerWaalsContact O-N 3.13Å; T113-W139 HydrophobicContact CG2-CD2 4.19Å; T113-W139 HydrophobicContact CG2-CE3 4.19Å; T113-W139 HydrophobicContact CG2-CZ3 4.46Å; T113-W139 WeakPolarHBondContact O-CZ2 3.24Å; T113-W139 PolarHBondContact O-NE1 3.16Å
114H80.9Confident84.8Confident101 Ų10175 Ų7547%0.46842%0.423SS..  trans-61.4145.8172.7-171.5-106.1000111.2S111 S116 R117 W139S111-H114 VanDerWaalsContact O-CB 3.27Å; S111-H114 WeakPolarHBondContact O-CB 3.12Å; S111-H114 PolarHBondContact O-N 3.11Å; H114-S116 PolarHBondContact ND1-N 2.85Å; H114-S116 PolarHBondContact ND1-OG 2.9Å; H114-S116 PolarHBondContact O-N 3.04Å; H114-S116 VanDerWaalsContact O-N 3.17Å; H114-R117 PolarHBondContact O-N 2.96Å; H114-W139 PolarHBondContact O-NE1 3.2Å
115N86Confident84.8Confident123 Ų12377.3 Ų77.366%0.65844%0.435SS*.G310 helixtrans-59.6-30.6-174.5-74.1-23.1000113.1R117 L118N115-R117 PolarHBondContact O-N 2.87Å; N115-R117 VanDerWaalsContact O-N 3.16Å; N115-L118 VanDerWaalsContact O-CB 3.29Å; N115-L118 WeakPolarHBondContact O-CB 3.14Å; N115-L118 PolarHBondContact O-N 3.18Å; N115-L118 VanDerWaalsContact O-N 3.14Å
116S83.6Confident85.1Confident100 Ų10076.2 Ų76.270%0.69943%0.428SS*.G310 helixtrans-67-11.6175.865.50000114.8H114H114-S116 PolarHBondContact ND1-N 2.85Å; H114-S116 PolarHBondContact ND1-OG 2.9Å; H114-S116 PolarHBondContact O-N 3.04Å; H114-S116 VanDerWaalsContact O-N 3.17Å
117R87.8Confident85.6Confident45 Ų4579.7 Ų79.717%0.1743%0.431CS..G310 helixtrans-1052.1175.6-57.5-174.877.2-123.66.2113.1P103 L112 H114 N115 C119 W139P103-R117 PolarHBondContact O-NH2 3.21Å; P103-R117 VanDerWaalsContact O-NH2 3.08Å; L112-R117 PolarHBondContact O-NH1 3.4Å; H114-R117 PolarHBondContact O-N 2.96Å; N115-R117 PolarHBondContact O-N 2.87Å; N115-R117 VanDerWaalsContact O-N 3.16Å; R117-C119 PolarHBondContact O-N 2.79Å; R117-W139 VanDerWaalsContact C-CD1 3.41Å; R117-W139 VanDerWaalsContact O-CD1 3.24Å
118L93.5Very high86.1Confident35 Ų3581.7 Ų81.718%0.18344%0.435CS..  trans-75.6113.3-176.5-178.857.1000110.5N115 I120 Y137 W139N115-L118 VanDerWaalsContact O-CB 3.29Å; N115-L118 WeakPolarHBondContact O-CB 3.14Å; N115-L118 PolarHBondContact O-N 3.18Å; N115-L118 VanDerWaalsContact O-N 3.14Å; L118-I120 HydrophobicContact CG-CG1 4.27Å; L118-Y137 HydrophobicContact CD2-CD1 4.17Å; L118-W139 HydrophobicContact CB-CZ2 4.23Å; L118-W139 HydrophobicContact CD1-CD2 3.89Å; L118-W139 HydrophobicContact CD1-CE3 4.14Å; L118-W139 HydrophobicContact CD1-CH2 4.1Å; L118-W139 HydrophobicContact CD1-CZ2 3.82Å; L118-W139 HydrophobicContact CD1-CZ3 4.27Å; L118-W139 HydrophobicContact CD2-CZ2 4.35Å; L118-W139 HydrophobicContact CG-CZ2 4.36Å
119C94.2Very high86.6Confident40 Ų4075.9 Ų75.927%0.2740%0.398SS..EExtended strand (participates in β ladder)trans-76.8124171.5-58.10000109.6R117 Y137 F138R117-C119 PolarHBondContact O-N 2.79Å; C119-Y137 WeakPolarHBondContact O-CA 3.26Å; C119-F138 WeakPolarHBondContact CA-O 3.48Å; C119-F138 HydrophobicContact CB-CD1 4.08Å; C119-F138 HydrophobicContact CB-CD2 4.03Å; C119-F138 HydrophobicContact CB-CE1 3.71Å; C119-F138 HydrophobicContact CB-CE2 3.66Å; C119-F138 HydrophobicContact CB-CG 4.23Å; C119-F138 HydrophobicContact CB-CZ 3.49Å; C119-F138 VanDerWaalsContact CB-CZ 3.49Å; C119-F138 VanDerWaalsContact CB-O 3.28Å; C119-F138 WeakPolarHBondContact CB-O 3.38Å; C119-F138 PolarHBondContact N-O 3.01Å; C119-F138 PolarHBondContact O-N 3.25Å
120I95.7Very high87.3Confident94 Ų9479.8 Ų79.848%0.48241%0.405SS..EExtended strand (participates in β ladder)trans-116116.8173.5-51.7173.6000106.7L118 Y137L118-I120 HydrophobicContact CG-CG1 4.27Å; I120-Y137 HydrophobicContact CB-CE1 4.37Å; I120-Y137 HydrophobicContact CD1-CD1 4.06Å; I120-Y137 HydrophobicContact CD1-CE1 3.65Å; I120-Y137 HydrophobicContact CG1-CD1 3.72Å; I120-Y137 HydrophobicContact CG1-CE1 3.73Å; I120-Y137 HydrophobicContact CG2-CD1 4.24Å; I120-Y137 HydrophobicContact CG2-CE1 3.77Å; I120-Y137 HydrophobicContact CG2-CE2 4.17Å
121M95.4Very high87.9Confident67 Ų6780 Ų8033%0.3340%0.404SS..EExtended strand (participates in β ladder)trans-134.6138-176.6-64.5-172.768.500112V94 R135 L136 F138V94-M121 HydrophobicContact CG1-CB 4.14Å; V94-M121 HydrophobicContact CG1-CE 3.86Å; V94-M121 HydrophobicContact CG1-CG 4.37Å; V94-M121 HydrophobicContact CG1-SD 3.45Å; V94-M121 WeakPolarHBondContact CG1-SD 3.38Å; V94-M121 HydrophobicContact CG2-CB 3.75Å; M121-R135 CarbonylContact O-C 3.5Å; M121-R135 VanDerWaalsContact O-CA 3.32Å; M121-R135 WeakPolarHBondContact O-CA 3.36Å; M121-L136 PolarHBondContact N-O 3.42Å; M121-L136 PolarHBondContact O-N 3.06Å; M121-F138 HydrophobicContact CB-CE1 4.32Å; M121-F138 HydrophobicContact CG-CE1 4.11Å; M121-F138 HydrophobicContact CG-CZ 4.39Å; M121-F138 HydrophobicContact SD-CE1 4.08Å; M121-F138 HydrophobicContact SD-CZ 3.81Å
122E94.7Very high88.4Confident75 Ų7577.8 Ų77.835%0.3539%0.39SS..EExtended strand (participates in β ladder)trans-67.8148.2170.5-58.2-166.9148.100110.5E124 R135 K324 Q404E122-E124 PolarHBondContact O-N 3.33Å; E122-R135 HydrophobicContact CG-CG 4.15Å; E122-R135 IonicContact OE1-CZ 3.81Å; E122-R135 IonicContact OE1-NE 2.82Å; E122-R135 IonicContact OE1-NH2 2.68Å; E122-R135 PolarHBondContact OE1-NH2 2.94Å; E122-K324 IonicContact OE2-NZ 2.73Å; E122-Q404 PolarHBondContact OE1-NE2 3.05Å; E122-Q404 PolarHBondContact OE2-NE2 2.76Å
123M94.7Very high88.9Confident15 Ų1577.9 Ų77.97%0.07439%0.389CS..PPolyproline II helixtrans-67.6123.4176.2-75.8-54.49500112.4V83 V94 G132 F133 G134 L136V83-M123 HydrophobicContact CB-SD 4.22Å; V83-M123 HydrophobicContact CG2-SD 3.83Å; V94-M123 HydrophobicContact CG2-CE 3.48Å; V94-M123 VanDerWaalsContact CG2-CE 3.48Å; M123-G132 WeakPolarHBondContact O-CA 3.41Å; M123-F133 VanDerWaalsContact CG-O 3.25Å; M123-F133 WeakPolarHBondContact CG-O 3.29Å; M123-G134 PolarHBondContact N-O 3.08Å; M123-L136 HydrophobicContact CE-CB 3.34Å; M123-L136 HydrophobicContact CE-CD2 4.4Å; M123-L136 HydrophobicContact CE-CG 4.45Å
124E93Very high89.5Confident86 Ų8676.9 Ų76.940%0.40239%0.387SS..BIsolated β-bridgetrans-79.6159.3167.5-56.2-174.1147.400111.8G92 Q93 V95 E122G92-E124 CarbonylContact C-O 3.37Å; G92-E124 VanDerWaalsContact CA-O 3.29Å; G92-E124 WeakPolarHBondContact CA-O 3.38Å; Q93-E124 HydrophobicContact CG-CB 4.09Å; Q93-E124 PolarHBondContact N-O 3.48Å; Q93-E124 WeakPolarHBondContact O-CA 3.2Å; Q93-E124 VanDerWaalsContact O-CB 3.31Å; Q93-E124 WeakPolarHBondContact O-CB 3.31Å; Q93-E124 PolarHBondContact O-N 2.85Å; V95-E124 WeakPolarHBondContact CG2-OE2 3.4Å; E122-E124 PolarHBondContact O-N 3.33Å
125Q91Very high90.2Very high130 Ų13076.3 Ų76.361%0.60738%0.381SS*.PPolyproline II helixtrans-58.5154170.362.8175.8-16.600112.7Q93 T129 E130Q93-Q125 WeakPolarHBondContact CG-O 3.37Å; Q93-Q125 PolarHBondContact NE2-O 3.42Å; Q125-T129 WeakPolarHBondContact CA-O 3.25Å; Q125-E130 WeakPolarHBondContact CB-O 3.48Å
126T91.6Very high90.7Very high14 Ų1470.4 Ų70.49%0.08635%0.349CS..BIsolated β-bridgetrans-126.7168.1174.690.40000111L82 H90 G92 Q93 K128 T129L82-T126 HydrophobicContact CD1-CG2 3.9Å; H90-T126 HydrophobicContact CB-CG2 4.09Å; H90-T126 WeakPolarHBondContact CB-OG1 3.48Å; H90-T126 PolarHBondContact ND1-OG1 3.27Å; G92-T126 VanDerWaalsContact C-CG2 3.47Å; Q93-T126 HydrophobicContact CB-CG2 4.02Å; Q93-T126 HydrophobicContact CG-CG2 4.04Å; T126-K128 PolarHBondContact O-N 2.8Å; T126-K128 PolarHBondContact OG1-N 3.31Å; T126-K128 VanDerWaalsContact OG1-N 3.13Å; T126-T129 PolarHBondContact N-O 3.06Å; T126-T129 CarbonylContact O-C 3.59Å; T126-T129 PolarHBondContact O-N 3.01Å; T126-T129 VanDerWaalsContact O-O 3.07Å; T126-T129 PolarHBondContact OG1-N 2.92Å
127K88.3Confident91.4Very high223 Ų22367.1 Ų67.197%0.9732%0.322SS*.THydrogen-bonded Turntrans-58.7-10.1174.2-63-173.5-179.1-178.50115.4
128K86.7Confident91.9Very high125 Ų12565 Ų6554%0.54331%0.314SS..THydrogen-bonded Turntrans-110.7-11.1174.4-64.8-173.3-171.7153.40113.8D88 H90 T126D88-K128 PolarHBondContact O-NZ 2.89Å; H90-K128 HydrophobicContact CB-CB 4.29Å; H90-K128 PolarHBondContact CD2-NZ 2.84Å; H90-K128 WeakPolarHBondContact NE2-CE 3.4Å; H90-K128 PolarHBondContact NE2-NZ 3.45Å; T126-K128 PolarHBondContact O-N 2.8Å; T126-K128 PolarHBondContact OG1-N 3.31Å; T126-K128 VanDerWaalsContact OG1-N 3.13Å
129T84.4Confident92Very high11 Ų1163.9 Ų63.97%0.06731%0.307CS..BIsolated β-bridgetrans-148.1109.3-164.8-34.10000109.5A25 H90 Q125 T126 I131A25-T129 HydrophobicContact CB-CG2 3.6Å; H90-T129 WeakPolarHBondContact CB-OG1 3.39Å; H90-T129 PolarHBondContact O-OG1 2.75Å; Q125-T129 WeakPolarHBondContact CA-O 3.25Å; T126-T129 PolarHBondContact N-O 3.06Å; T126-T129 CarbonylContact O-C 3.59Å; T126-T129 PolarHBondContact O-N 3.01Å; T126-T129 VanDerWaalsContact O-O 3.07Å; T126-T129 PolarHBondContact OG1-N 2.92Å; T129-I131 VanDerWaalsContact CG2-O 3.28Å; T129-I131 WeakPolarHBondContact CG2-O 3.1Å; T129-I131 PolarHBondContact O-N 3.21Å
130E83.9Confident92.1Very high177 Ų17762.2 Ų62.283%0.82730%0.296SS*.SBendtrans-68.7-19.8-174.4-59.8178.9168.800113.3Q125Q125-E130 WeakPolarHBondContact CB-O 3.48Å
131I83.4Confident92.1Very high64 Ų6457.8 Ų57.833%0.32827%0.273SS..SBendtrans-128.3124.8178.1-61.5177000108T129 F133T129-I131 VanDerWaalsContact CG2-O 3.28Å; T129-I131 WeakPolarHBondContact CG2-O 3.1Å; T129-I131 PolarHBondContact O-N 3.21Å; I131-F133 HydrophobicContact CB-CE2 3.81Å; I131-F133 HydrophobicContact CB-CZ 4.02Å; I131-F133 HydrophobicContact CG2-CD1 4.34Å; I131-F133 HydrophobicContact CG2-CD2 4.07Å; I131-F133 HydrophobicContact CG2-CE1 3.89Å; I131-F133 HydrophobicContact CG2-CE2 3.58Å; I131-F133 HydrophobicContact CG2-CG 4.43Å; I131-F133 HydrophobicContact CG2-CZ 3.49Å; I131-F133 VanDerWaalsContact CG2-CZ 3.49Å
132G88.5Confident92Very high16 Ų1654.7 Ų54.717%0.16526%0.258CS..  trans-79.1137.6165.500000110.9V91 M123V91-G132 WeakPolarHBondContact O-CA 3.42Å; M123-G132 WeakPolarHBondContact O-CA 3.41Å
133F89.1Confident91.9Very high53 Ų5354.4 Ų54.423%0.23226%0.256CS..  trans-118.6129.2178.4-69.5-83.6000112.2R23 A25 V91 M123 I131R23-F133 HydrophobicContact CB-CB 4.05Å; R23-F133 HydrophobicContact CB-CG 4.26Å; A25-F133 HydrophobicContact CB-CE2 4.01Å; V91-F133 HydrophobicContact CG1-CB 4.39Å; V91-F133 VanDerWaalsContact CG1-O 3.23Å; V91-F133 WeakPolarHBondContact CG1-O 3.28Å; V91-F133 PolarHBondContact O-N 3.3Å; M123-F133 VanDerWaalsContact CG-O 3.25Å; M123-F133 WeakPolarHBondContact CG-O 3.29Å; I131-F133 HydrophobicContact CB-CE2 3.81Å; I131-F133 HydrophobicContact CB-CZ 4.02Å; I131-F133 HydrophobicContact CG2-CD1 4.34Å; I131-F133 HydrophobicContact CG2-CD2 4.07Å; I131-F133 HydrophobicContact CG2-CE1 3.89Å; I131-F133 HydrophobicContact CG2-CE2 3.58Å; I131-F133 HydrophobicContact CG2-CG 4.43Å; I131-F133 HydrophobicContact CG2-CZ 3.49Å; I131-F133 VanDerWaalsContact CG2-CZ 3.49Å
134G92.6Very high91.8Very high21 Ų2157.2 Ų57.222%0.21627%0.269CS..SBendtrans97.9-173.8176.800000114.8E20 N21 M123E20-G134 CarbonylContact O-C 3.54Å; E20-G134 WeakPolarHBondContact O-CA 3.48Å; N21-G134 WeakPolarHBondContact O-CA 3.39Å; N21-G134 PolarHBondContact O-N 2.86Å; M123-G134 PolarHBondContact N-O 3.08Å
135R96Very high91.7Very high88 Ų8856.4 Ų56.433%0.33226%0.263SS..EExtended strand (participates in β ladder)trans-126.9147.7178.7-71.1176.2178.2156.62.6110.3A19 E20 M121 E122 Y137A19-R135 CarbonylContact C-O 3.47Å; A19-R135 WeakPolarHBondContact CA-O 3.47Å; A19-R135 VanDerWaalsContact CB-O 3.31Å; A19-R135 WeakPolarHBondContact CB-O 3.49Å; E20-R135 PolarHBondContact N-O 3.27Å; E20-R135 PolarHBondContact O-N 2.92Å; M121-R135 CarbonylContact O-C 3.5Å; M121-R135 VanDerWaalsContact O-CA 3.32Å; M121-R135 WeakPolarHBondContact O-CA 3.36Å; E122-R135 HydrophobicContact CG-CG 4.15Å; E122-R135 IonicContact OE1-CZ 3.81Å; E122-R135 IonicContact OE1-NE 2.82Å; E122-R135 IonicContact OE1-NH2 2.68Å; E122-R135 PolarHBondContact OE1-NH2 2.94Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å
136L97.6Very high91.5Very high0 Ų052.5 Ų52.50%024%0.243CC..EExtended strand (participates in β ladder)trans-118.2135.4175.9-174.873000110.3V16 A19 W64 L81 V83 M121 M123 F138V16-L136 HydrophobicContact CG1-CD1 3.95Å; A19-L136 HydrophobicContact CB-CD1 4.01Å; W64-L136 HydrophobicContact CZ3-CD1 3.8Å; L81-L136 HydrophobicContact CB-CD2 3.73Å; L81-L136 HydrophobicContact CD1-CD2 3.75Å; L81-L136 HydrophobicContact CG-CD2 4.39Å; V83-L136 HydrophobicContact CG2-CD1 4.26Å; V83-L136 HydrophobicContact CG2-CD2 4.43Å; M121-L136 PolarHBondContact N-O 3.42Å; M121-L136 PolarHBondContact O-N 3.06Å; M123-L136 HydrophobicContact CE-CB 3.34Å; M123-L136 HydrophobicContact CE-CD2 4.4Å; M123-L136 HydrophobicContact CE-CG 4.45Å; L136-F138 HydrophobicContact CD2-CD1 4.11Å; L136-F138 HydrophobicContact CG-CD1 4.1Å
137Y97.8Very high90.9Very high30 Ų3056.4 Ų56.412%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-111.2118.1-178.8-66.1-108.4000107.8Y17 K18 E20 L118 C119 I120 R135Y17-Y137 WeakPolarHBondContact CB-O 3.5Å; Y17-Y137 PolarHBondContact N-O 3.26Å; K18-Y137 HydrophobicContact CG-CD2 3.99Å; K18-Y137 HydrophobicContact CG-CG 3.93Å; K18-Y137 PolarHBondContact N-O 2.71Å; K18-Y137 WeakPolarHBondContact O-CB 3.35Å; K18-Y137 PolarHBondContact O-N 2.6Å; E20-Y137 HydrophobicContact CB-CE2 4.3Å; E20-Y137 HydrophobicContact CG-CD2 4.45Å; E20-Y137 HydrophobicContact CG-CE2 3.82Å; E20-Y137 PolarHBondContact OE2-OH 3.46Å; E20-Y137 VanDerWaalsContact OE2-OH 3.12Å; L118-Y137 HydrophobicContact CD2-CD1 4.17Å; C119-Y137 WeakPolarHBondContact O-CA 3.26Å; I120-Y137 HydrophobicContact CB-CE1 4.37Å; I120-Y137 HydrophobicContact CD1-CD1 4.06Å; I120-Y137 HydrophobicContact CD1-CE1 3.65Å; I120-Y137 HydrophobicContact CG1-CD1 3.72Å; I120-Y137 HydrophobicContact CG1-CE1 3.73Å; I120-Y137 HydrophobicContact CG2-CD1 4.24Å; I120-Y137 HydrophobicContact CG2-CE1 3.77Å; I120-Y137 HydrophobicContact CG2-CE2 4.17Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å
138F97.3Very high89.9Confident1 Ų149.9 Ų49.90%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-154.5156.4-175.966.8-81.9000112.6R15 L81 V94 V96 C119 M121 L136 I140R15-F138 CarbonylContact O-C 3.49Å; R15-F138 WeakPolarHBondContact O-CA 3.25Å; R15-F138 VanDerWaalsContact O-CB 3.31Å; R15-F138 WeakPolarHBondContact O-CB 3.5Å; L81-F138 HydrophobicContact CD1-CB 4.3Å; L81-F138 HydrophobicContact CD1-CD1 3.78Å; L81-F138 HydrophobicContact CD1-CD2 3.59Å; L81-F138 HydrophobicContact CD1-CE1 3.92Å; L81-F138 HydrophobicContact CD1-CE2 3.73Å; L81-F138 HydrophobicContact CD1-CG 3.61Å; L81-F138 HydrophobicContact CD1-CZ 3.89Å; V94-F138 HydrophobicContact CG1-CE1 3.97Å; V94-F138 HydrophobicContact CG1-CZ 3.91Å; V96-F138 HydrophobicContact CG2-CE2 4.01Å; V96-F138 HydrophobicContact CG2-CZ 3.91Å; C119-F138 WeakPolarHBondContact CA-O 3.48Å; C119-F138 HydrophobicContact CB-CD1 4.08Å; C119-F138 HydrophobicContact CB-CD2 4.03Å; C119-F138 HydrophobicContact CB-CE1 3.71Å; C119-F138 HydrophobicContact CB-CE2 3.66Å; C119-F138 HydrophobicContact CB-CG 4.23Å; C119-F138 HydrophobicContact CB-CZ 3.49Å; C119-F138 VanDerWaalsContact CB-CZ 3.49Å; C119-F138 VanDerWaalsContact CB-O 3.28Å; C119-F138 WeakPolarHBondContact CB-O 3.38Å; C119-F138 PolarHBondContact N-O 3.01Å; C119-F138 PolarHBondContact O-N 3.25Å; M121-F138 HydrophobicContact CB-CE1 4.32Å; M121-F138 HydrophobicContact CG-CE1 4.11Å; M121-F138 HydrophobicContact CG-CZ 4.39Å; M121-F138 HydrophobicContact SD-CE1 4.08Å; M121-F138 HydrophobicContact SD-CZ 3.81Å; L136-F138 HydrophobicContact CD2-CD1 4.11Å; L136-F138 HydrophobicContact CG-CD1 4.1Å; F138-I140 HydrophobicContact CD2-CB 4.25Å; F138-I140 HydrophobicContact CD2-CG2 4.33Å; F138-I140 HydrophobicContact CE2-CB 4.21Å; F138-I140 HydrophobicContact CE2-CG2 3.89Å
139W96.7Very high88.4Confident12 Ų1250.8 Ų50.85%0.04525%0.25CC..EExtended strand (participates in β ladder)trans-107.5147.6165.7-63.3-93.4000109.7V14 R15 Y17 T113 H114 R117 L118 W141V14-W139 WeakPolarHBondContact CA-O 3.38Å; R15-W139 HydrophobicContact CB-CB 4.38Å; R15-W139 HydrophobicContact CB-CE3 4.21Å; R15-W139 HydrophobicContact CG-CE3 4.13Å; R15-W139 PolarHBondContact N-O 2.72Å; R15-W139 PolarHBondContact O-N 3.24Å; Y17-W139 AromaticContact CD1-CH2 3.96Å; Y17-W139 HydrophobicContact CD1-CH2 3.96Å; Y17-W139 HydrophobicContact CD1-CZ3 4.09Å; Y17-W139 HydrophobicContact CE1-CH2 4.46Å; Y17-W139 HydrophobicContact CG-CH2 4.17Å; Y17-W139 AromaticContact CG-CZ3 3.85Å; Y17-W139 HydrophobicContact CG-CZ3 3.85Å; T113-W139 HydrophobicContact CG2-CD2 4.19Å; T113-W139 HydrophobicContact CG2-CE3 4.19Å; T113-W139 HydrophobicContact CG2-CZ3 4.46Å; T113-W139 WeakPolarHBondContact O-CZ2 3.24Å; T113-W139 PolarHBondContact O-NE1 3.16Å; H114-W139 PolarHBondContact O-NE1 3.2Å; R117-W139 VanDerWaalsContact C-CD1 3.41Å; R117-W139 VanDerWaalsContact O-CD1 3.24Å; L118-W139 HydrophobicContact CB-CZ2 4.23Å; L118-W139 HydrophobicContact CD1-CD2 3.89Å; L118-W139 HydrophobicContact CD1-CE3 4.14Å; L118-W139 HydrophobicContact CD1-CH2 4.1Å; L118-W139 HydrophobicContact CD1-CZ2 3.82Å; L118-W139 HydrophobicContact CD1-CZ3 4.27Å; L118-W139 HydrophobicContact CD2-CZ2 4.35Å; L118-W139 HydrophobicContact CG-CZ2 4.36Å; W139-W141 HydrophobicContact CB-CE3 4.19Å; W139-W141 HydrophobicContact CB-CZ3 3.76Å
140I95.9Very high86.2Confident5 Ų554.3 Ų54.33%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-146.1137.7176-168.7170.9000110.5V12 T13 V14 V79 V96 I101 P102 F138V12-I140 HydrophobicContact CG1-CD1 3.98Å; V12-I140 HydrophobicContact CG1-CG1 3.66Å; T13-I140 WeakPolarHBondContact O-CA 3.2Å; V14-I140 HydrophobicContact CG2-CB 4.5Å; V14-I140 HydrophobicContact CG2-CD1 3.76Å; V14-I140 HydrophobicContact CG2-CG1 3.78Å; V79-I140 HydrophobicContact CB-CD1 4.1Å; V79-I140 HydrophobicContact CG1-CD1 4.05Å; V79-I140 HydrophobicContact CG2-CD1 4.22Å; V96-I140 HydrophobicContact CB-CD1 4.38Å; V96-I140 HydrophobicContact CG1-CD1 4.26Å; I101-I140 HydrophobicContact CD1-CD1 3.79Å; I101-I140 HydrophobicContact CD1-CG1 4.39Å; I101-I140 HydrophobicContact CG1-CD1 4.07Å; I101-I140 HydrophobicContact CG2-CD1 4.38Å; I101-I140 HydrophobicContact CG2-CG1 3.89Å; I101-I140 HydrophobicContact CG2-CG2 4.45Å; P102-I140 WeakPolarHBondContact CG-O 3.26Å; F138-I140 HydrophobicContact CD2-CB 4.25Å; F138-I140 HydrophobicContact CD2-CG2 4.33Å; F138-I140 HydrophobicContact CE2-CB 4.21Å; F138-I140 HydrophobicContact CE2-CG2 3.89Å
141W94.8Very high84Confident1 Ų155.8 Ų55.80%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-154.3156175.462.285.8000113.1V12 T13 P102 L112 W139 E143V12-W141 WeakPolarHBondContact CA-O 3.21Å; V12-W141 WeakPolarHBondContact CG1-O 3.37Å; T13-W141 HydrophobicContact CG2-CH2 3.88Å; T13-W141 HydrophobicContact CG2-CZ2 3.41Å; T13-W141 VanDerWaalsContact CG2-CZ2 3.41Å; T13-W141 PolarHBondContact N-O 2.62Å; T13-W141 PolarHBondContact O-N 2.74Å; P102-W141 CarbonylContact O-C 3.55Å; P102-W141 VanDerWaalsContact O-CA 3.26Å; P102-W141 WeakPolarHBondContact O-CA 3.29Å; L112-W141 HydrophobicContact CB-CH2 4.07Å; L112-W141 HydrophobicContact CB-CZ2 4.26Å; L112-W141 HydrophobicContact CB-CZ3 4.32Å; L112-W141 HydrophobicContact CD1-CH2 4.39Å; L112-W141 HydrophobicContact CD1-CZ2 3.82Å; W139-W141 HydrophobicContact CB-CE3 4.19Å; W139-W141 HydrophobicContact CB-CZ3 3.76Å; W141-E143 PolarHBondContact NE1-OE1 2.86Å
142V94.1Very high81.9Confident2 Ų257 Ų571%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-81.8124.9174.9-171.40000110.2P9 V12 I101 P102 K104 E144 Y145P9-V142 HydrophobicContact CB-CB 4.49Å; P9-V142 HydrophobicContact CB-CG1 3.79Å; P9-V142 HydrophobicContact CB-CG2 3.9Å; V12-V142 HydrophobicContact CG2-CG2 4.4Å; I101-V142 HydrophobicContact CB-CG2 3.91Å; I101-V142 HydrophobicContact CG2-CG2 3.6Å; P102-V142 PolarHBondContact O-N 2.73Å; K104-V142 WeakPolarHBondContact CB-O 3.21Å; K104-V142 PolarHBondContact N-O 3.05Å; V142-E144 WeakPolarHBondContact CG1-O 3Å; V142-Y145 HydrophobicContact CB-CD2 4.49Å; V142-Y145 HydrophobicContact CB-CE1 4.09Å; V142-Y145 HydrophobicContact CB-CE2 3.9Å; V142-Y145 HydrophobicContact CG1-CD1 3.92Å; V142-Y145 HydrophobicContact CG1-CD2 3.88Å; V142-Y145 HydrophobicContact CG1-CE1 3.84Å; V142-Y145 HydrophobicContact CG1-CE2 3.78Å; V142-Y145 HydrophobicContact CG1-CG 3.95Å; V142-Y145 HydrophobicContact CG2-CE1 3.83Å; V142-Y145 HydrophobicContact CG2-CE2 4.43Å
143E93.1Very high79.4Confident68 Ų6867.4 Ų67.432%0.31833%0.327SS..EExtended strand (participates in β ladder)trans-84.4-48.4170.7-68.8-69.516400110.7E11 T13 T69 K104 W141E11-E143 HydrophobicContact CB-CB 4.29Å; E11-E143 HydrophobicContact CG-CB 4.13Å; E11-E143 PolarHBondContact O-N 2.85Å; T13-E143 WeakPolarHBondContact OG1-CG 3.04Å; T13-E143 PolarHBondContact OG1-OE1 3.16Å; T69-E143 HydrophobicContact CG2-CG 4.03Å; K104-E143 WeakPolarHBondContact CD-OE2 3.23Å; K104-E143 IonicContact NZ-OE1 2.63Å; K104-E143 PolarHBondContact NZ-OE1 2.95Å; K104-E143 IonicContact NZ-OE2 2.62Å; K104-E143 PolarHBondContact NZ-OE2 2.85Å; W141-E143 PolarHBondContact NE1-OE1 2.86Å
144E91.6Very high76.8Confident74 Ų7470.1 Ų70.135%0.34635%0.353SS..EExtended strand (participates in β ladder)trans-132.6128.5179.7-160.1-162.5158.300110K10 E11 V142K10-E144 WeakPolarHBondContact CA-O 3.25Å; K10-E144 HydrophobicContact CB-CB 4.43Å; K10-E144 WeakPolarHBondContact CB-O 3.42Å; K10-E144 HydrophobicContact CD-CG 4.48Å; K10-E144 WeakPolarHBondContact CD-OE1 3.32Å; K10-E144 WeakPolarHBondContact CD-OE2 3.28Å; K10-E144 WeakPolarHBondContact CE-OE2 3.43Å; K10-E144 PolarHBondContact N-O 3.27Å; K10-E144 IonicContact NZ-OE1 2.85Å; K10-E144 PolarHBondContact NZ-OE1 2.85Å; K10-E144 IonicContact NZ-OE2 3.52Å; K10-E144 PolarHBondContact NZ-OE2 3.35Å; E11-E144 HydrophobicContact CB-CB 4Å; E11-E144 PolarHBondContact N-O 3.3Å; E11-E144 PolarHBondContact O-N 2.92Å; V142-E144 WeakPolarHBondContact CG1-O 3Å
145Y91.2Very high74.2Confident70 Ų7073.5 Ų73.528%0.27538%0.378SS..EExtended strand (participates in β ladder)trans-84.8148.4167.1-71.8-82.3000110.4R7 P103 V142 S147R7-Y145 HydrophobicContact CB-CD1 3.52Å; R7-Y145 HydrophobicContact CB-CE1 4.01Å; R7-Y145 HydrophobicContact CB-CG 4.07Å; P103-Y145 HydrophobicContact CB-CE2 4.12Å; V142-Y145 HydrophobicContact CB-CD2 4.49Å; V142-Y145 HydrophobicContact CB-CE1 4.09Å; V142-Y145 HydrophobicContact CB-CE2 3.9Å; V142-Y145 HydrophobicContact CG1-CD1 3.92Å; V142-Y145 HydrophobicContact CG1-CD2 3.88Å; V142-Y145 HydrophobicContact CG1-CE1 3.84Å; V142-Y145 HydrophobicContact CG1-CE2 3.78Å; V142-Y145 HydrophobicContact CG1-CG 3.95Å; V142-Y145 HydrophobicContact CG2-CE1 3.83Å; V142-Y145 HydrophobicContact CG2-CE2 4.43Å; Y145-S147 PolarHBondContact O-N 2.87Å
146R87.4Confident71.3Confident48 Ų4878.4 Ų78.418%0.18140%0.402CS..PPolyproline II helixtrans-62.2137.9168.4-71.5-179.1159.999.4-6.8109.1H8 P9 K10 I72 A73 T74 E148H8-R146 WeakPolarHBondContact O-CB 3.29Å; H8-R146 PolarHBondContact O-N 2.92Å; P9-R146 PolarHBondContact O-NH1 2.83Å; K10-R146 HydrophobicContact CB-CG 3.67Å; K10-R146 HydrophobicContact CG-CG 4.22Å; I72-R146 PolarHBondContact O-NH2 2.81Å; A73-R146 PolarHBondContact O-NH2 2.7Å; T74-R146 PolarHBondContact O-NH1 3.24Å; T74-R146 PolarHBondContact O-NH2 2.94Å; R146-E148 PolarHBondContact O-N 3.45Å
147S79.5Confident68.4Low96 Ų9682.2 Ų82.267%0.67144%0.442SS*.PPolyproline II helixtrans-52.9135.7167.646.30000110.3Y145 E149Y145-S147 PolarHBondContact O-N 2.87Å; S147-E149 PolarHBondContact O-N 2.9Å
148E66.3Low65.3Low86 Ų8686.4 Ų86.440%0.40248%0.475SS..PPolyproline II helixtrans-65.9119.7165.6-67.5173.8-151.900106.8N5 R7 R146 S150N5-E148 PolarHBondContact ND2-OE2 2.93Å; R7-E148 IonicContact CZ-OE1 3.29Å; R7-E148 IonicContact NE-OE1 3.91Å; R7-E148 PolarHBondContact NE-OE1 3.49Å; R7-E148 IonicContact NH2-OE1 3Å; R7-E148 PolarHBondContact NH2-OE1 2.9Å; R146-E148 PolarHBondContact O-N 3.45Å; E148-S150 PolarHBondContact O-N 3.5Å
149E54.9Low62.4Low144 Ų14492.5 Ų92.567%0.67351%0.512SS*.  trans-68.685.4167.4-82.5167.3109.600107.8R75 S147 K151R75-E149 IonicContact CZ-OE2 2.68Å; R75-E149 IonicContact NH1-OE2 3.94Å; R75-E149 PolarHBondContact NH1-OE2 2.83Å; R75-E149 IonicContact NH2-OE2 2.86Å; R75-E149 PolarHBondContact NH2-OE2 3.15Å; S147-E149 PolarHBondContact O-N 2.9Å; E149-K151 PolarHBondContact O-N 3.37Å
150S38.2Very low59.5Low84 Ų8499.3 Ų99.359%0.58755%0.549SS*.  trans-49.1131163.965.40000107.8E148 S152E148-S150 PolarHBondContact O-N 3.5Å; S150-S152 PolarHBondContact O-N 2.95Å; S150-S152 PolarHBondContact O-OG 3.44Å; S150-S152 WeakPolarHBondContact OG-CB 3.38Å; S150-S152 PolarHBondContact OG-OG 3.26Å
151K38.8Very low56.4Low208 Ų208104.3 Ų104.390%0.90458%0.584SS**  trans-74.647.7167.4-67.4-180179.2175.60109.8E149 R153E149-K151 PolarHBondContact O-N 3.37Å; K151-R153 PolarHBondContact O-N 3.13Å
152S38.5Very low53.4Low90 Ų90111.9 Ų111.963%0.62962%0.624SS**  trans-62.4123.6172430000107.5S150 S154S150-S152 PolarHBondContact O-N 2.95Å; S150-S152 PolarHBondContact O-OG 3.44Å; S150-S152 WeakPolarHBondContact OG-CB 3.38Å; S150-S152 PolarHBondContact OG-OG 3.26Å; S152-S154 PolarHBondContact O-N 2.96Å
153R35.5Very low50.4Low234 Ų234116.7 Ų116.788%0.88366%0.657SS**  trans-69.4100.8-172.6-72.5159.264.2167.1-1108.9K151 A155K151-R153 PolarHBondContact O-N 3.13Å; R153-A155 PolarHBondContact O-N 3.29Å
154S35.4Very low47.7Very low111 Ų111118.6 Ų118.678%0.77668%0.678SS**  trans-63.288.7159.5-174.80000108.3S152 K156S152-S154 PolarHBondContact O-N 2.96Å; S154-K156 PolarHBondContact O-N 2.94Å
155A37Very low45.1Very low91 Ų91122 Ų12275%0.75270%0.698SS**  trans-81.860.8-176.400000110.8R153R153-A155 PolarHBondContact O-N 3.29Å
156K36.6Very low42.6Very low191 Ų191126.5 Ų126.583%0.8372%0.721SS**SBendtrans-158.6125.6172.2-100.1153.7-174.3178.60109.2S154S154-K156 PolarHBondContact O-N 2.94Å
157G35.5Very low40Very low81 Ų81130.8 Ų130.884%0.83575%0.747SS**  trans86.653.5167.700000117.3V159G157-V159 PolarHBondContact O-N 2.84Å
158S32.2Very low38.1Very low117 Ų117134.8 Ų134.882%0.81876%0.755SS**  trans-81.9102.9166.8166.30000111.7
159V38Very low36.5Very low129 Ų129139.7 Ų139.778%0.78278%0.775SS**  trans-16499.5147.2-99.90000111.6G157G157-V159 PolarHBondContact O-N 2.84Å
160L34.3Very low35.7Very low156 Ų156139.1 Ų139.182%0.81778%0.776SS**  trans-144.847.8152.5-82.1-171.5000110.7L162L160-L162 VanDerWaalsContact C-N 3.29Å; L160-L162 PolarHBondContact O-N 3.03Å
161S32.2Very low35.7Very low110 Ų110144.5 Ų144.577%0.76979%0.789SS**  trans-74.785.1164-65.90000109.2S163S161-S163 PolarHBondContact O-N 3.47Å
162L31.7Very low35.4Very low160 Ų160138.4 Ų138.484%0.83879%0.786SS**  trans-74.773.6177.2-73.1174.3000111.5L160L160-L162 VanDerWaalsContact C-N 3.29Å; L160-L162 PolarHBondContact O-N 3.03Å
163S31.1Very low35.2Very low102 Ų102140 Ų14071%0.71380%0.797SS**  trans-158.2144.4167.548.20000113.3S161S161-S163 PolarHBondContact O-N 3.47Å
164S35.9Very low35.3Very low108 Ų108135 Ų13576%0.75579%0.793SS**  trans88.1134.8171.6-141.20000118.8
165L37.7Very low35.4Very low147 Ų147135.2 Ų135.277%0.7779%0.791SS**  trans52.699.5159.4-61.3159.8000117.6
166H37.4Very low35.5Very low164 Ų164138.5 Ų138.576%0.75980%0.796SS**  53121.671.1-70.671.8000115.8
167L33.6Very low35.6Very low138 Ų138133.6 Ų133.672%0.72379%0.786SS**  trans29.6125.8154.5-63.975.2000117.5
168H39.1Very low35.9Very low179 Ų179136.5 Ų136.583%0.82978%0.781SS**  -152.3174.766.7-110-95.1000114.4
169K32.8Very low36.1Very low189 Ų189137 Ų13782%0.82278%0.775SS**  trans-126.693.9-167.5179.1-169-180179.10111.6
170D39Very low36.1Very low133 Ų133141.4 Ų141.471%0.71178%0.779SS**  trans-148.8125.7163.1-84.8-53.3000107.7
171K36.6Very low36.2Very low196 Ų196139.3 Ų139.385%0.85278%0.777SS**  80.49964.6-76.4-168.9-171.5167.30114
172G33.8Very low36.5Very low81 Ų81137 Ų13784%0.83577%0.771SS**  trans94.7108.3148.300000117.4
173S34.6Very low36.7Very low123 Ų123134.9 Ų134.986%0.8677%0.77SS**  -168.4161.1109.7-159.30000111
174T36Very low37.2Very low130 Ų130136.2 Ų136.280%0.79877%0.773SS**  trans-82.8162.7-163.434.40000116.3
175P39Very low37.1Very low115 Ų115138.4 Ų138.475%0.74778%0.776SS**  trans-98.1171.5-172.640.1-37.4000115
176N38.5Very low37Very low159 Ų159136.9 Ų136.985%0.8578%0.777SS**  trans-159.8152162.4-90.1-43.7000108.6
177S39.2Very low36.7Very low89 Ų89137.5 Ų137.562%0.62279%0.785SS**  cis-172168.7-2149.30000109.6
178L40.6Very low36.7Very low141 Ų141136.1 Ų136.174%0.73879%0.787SS**  trans74.5111.2169.1-48177.1000116.3
179N36.9Very low36.2Very low129 Ų129131.9 Ų131.969%0.6978%0.778SS**  75.2124.677.6-60.8-3000112
180Y37.8Very low36.4Very low221 Ų221130 Ų13087%0.86778%0.776SS**  cis-142.7-178.927.8-79.7-105.4000110.5
181S36.1Very low36Very low111 Ų111130.6 Ų130.678%0.77678%0.78SS**  cis-179.1164.1-35.8-170.80000109.1
182G38.6Very low36.1Very low62 Ų62129.1 Ų129.164%0.63978%0.781SS**  trans85.6105.4179.700000113.3
183S36.6Very low36.2Very low115 Ų115131.8 Ų131.880%0.80477%0.772SS**  cis74.9135.347.6-48.70000112.6
184V40.5Very low36.3Very low130 Ų130133.3 Ų133.379%0.78876%0.76SS**  cis-138.6141.228.8-171.80000113.9
185L35.2Very low36.3Very low155 Ų155135 Ų13581%0.81276%0.756SS**  trans-4.2149.3153.1-48.2176.6000119
186S34.8Very low36.3Very low115 Ų115139.3 Ų139.380%0.80476%0.763SS**  -160.4160.456-57.90000115.5
187L30.8Very low36.1Very low176 Ų176139.5 Ų139.592%0.92176%0.756SS**  trans-128.6143.9-178.2-80.4162.4000112.2
188S33.1Very low36.1Very low110 Ų110144.2 Ų144.277%0.76977%0.766SS**  trans-160.8104.3154.9-167.50000106.8
189S29.1Very low35.9Very low89 Ų89148.6 Ų148.662%0.62277%0.772SS**  57.4109.265.3-168.10000113
190N36.9Very low35.7Very low149 Ų149154 Ų15480%0.79778%0.783SS**  -162.6158.9102.4-87.8-9.9000110.9
191N31.7Very low35.5Very low147 Ų147154.1 Ų154.179%0.78678%0.784SS**  trans-78.8161.6173.1-65.8-53.6000110.8
192D38Very low35.4Very low165 Ų165153.7 Ų153.788%0.88278%0.777SS**  -165.8142.2106.3-94.9-12.7000114.6
193E36.5Very low35.1Very low136 Ų136156.8 Ų156.864%0.63677%0.773SS**  trans-69.3175.2-168.1-66.9-172.993.300117.6
194Y37.4Very low35Very low156 Ų156156.4 Ų156.461%0.61277%0.765SS**  trans100.191.7146.6-64-55.1000122.8
195K35.6Very low34.7Very low164 Ų164154.1 Ų154.171%0.71376%0.76SS**  44.5112116.4-62176.8-164.2160.40119.5
196K39.2Very low34.7Very low207 Ų207152.9 Ų152.990%0.975%0.754SS**  177.6154.9102.3-98.5155-176.5171.80115.5
197K34.1Very low34.8Very low162 Ų162155.7 Ų155.770%0.70475%0.754SS**  trans-88144.2178.9-57.1169.2178.81710112.7
198K39.7Very low34.9Very low188 Ų188150.8 Ų150.882%0.81774%0.739SS**  trans-161.4118.9148.7-95.1167.4-174.3178.20105.2
199R35.3Very low35Very low233 Ų233153.1 Ų153.188%0.87974%0.739SS**  61.8119.154.6-150.1-169.9-155.9-170.511.3112
200W32.5Very low35.4Very low243 Ų243155.7 Ų155.792%0.9274%0.741SS**  trans-165.2155.1140.5-87.5-10.8000112
201Y33.3Very low35.4Very low224 Ų224153.7 Ų153.788%0.87873%0.734SS**  trans-150.7128.1170.8-115.9-63.4000108.4
202T35.1Very low35.9Very low102 Ų102151.9 Ų151.963%0.62673%0.731SS**  trans41.8112.415428.80000123.9R475T202-R475 PolarHBondContact O-NH1 3.03Å; T202-R475 VanDerWaalsContact O-NH1 3.15Å
203K32.7Very low35.9Very low127 Ų127149.7 Ų149.755%0.55272%0.723SS**  96.6137.3119.5-146.5-169.1177.5179.30118.9E476K203-E476 IonicContact NZ-OE1 3.36Å; K203-E476 PolarHBondContact NZ-OE1 3.06Å; K203-E476 IonicContact NZ-OE2 2.73Å; K203-E476 PolarHBondContact NZ-OE2 2.92Å
204V34.7Very low36Very low107 Ų107147.6 Ų147.665%0.64872%0.724SS**  trans86.982.9161.9-160.90000118.8
205A33.5Very low36.1Very low81 Ų81146.9 Ų146.967%0.66973%0.729SS**  61.4149.8109.100000124.8
206N34.1Very low36.3Very low129 Ų129146.6 Ų146.669%0.6973%0.73SS**  trans83122.1143.8-75.914000123.3
207H37.5Very low36.3Very low175 Ų175143.8 Ų143.881%0.8172%0.72SS**  trans65.2154.6152.5-53.4-44.9000118
208A32.6Very low36.4Very low73 Ų73140.8 Ų140.860%0.60372%0.72SS**  cis-168.5-169.8-23.900000107.7
209M35.4Very low36.2Very low158 Ų158142.7 Ų142.778%0.77872%0.722SS**  trans72.3144.9170.8-43.2-56.9-76.700115.4
210H36.9Very low36.1Very low143 Ų143137.2 Ų137.266%0.66272%0.719SS**  cis-157.8127.1-22.2-139-132000105.7
211V38.1Very low36.5Very low107 Ų107131.6 Ų131.665%0.64871%0.714SS**  65.8138.91011730000115.6
212P41.6Very low36.7Very low110 Ų110125.6 Ų125.671%0.71470%0.704SS**  cis-101.2-131.7-5.520.13.1000110.3
213T38Very low36.7Very low119 Ų119128.1 Ų128.173%0.7371%0.714SS**  cis-169148.8-1.5-4.70000106.3
214S39.3Very low36.7Very low92 Ų92126.7 Ų126.764%0.64372%0.72SS**  cis-172139.2-19.248.70000111.7
215I39.5Very low36.9Very low141 Ų141127.9 Ų127.972%0.72373%0.728SS**  trans62.5102.4143.1-60.2172.2000119.8
216Q38.4Very low37.1Very low158 Ų158127.9 Ų127.974%0.73872%0.723SS**  trans63.3153.9131-61.4-179.42.500120.4
217Q39.3Very low37.2Very low148 Ų148128.3 Ų128.369%0.69273%0.725SS**  cis-158.4128.7-2.1-125.816721.400113.6
218S36.5Very low37.3Very low98 Ų98124.9 Ų124.969%0.68572%0.716SS**  trans64.7154.5139.1800000124.4
219R35.1Very low37.5Very low229 Ų229131 Ų13186%0.86473%0.73SS**  trans80.385158.3-62.2-176-179.7-154.4-2.4120.3
220S34Very low37.5Very low117 Ų117128.3 Ų128.382%0.81873%0.726SS**  53.2152.895.6-53.10000121.2
221P42.1Very low37.7Very low126 Ų126129.2 Ų129.282%0.81873%0.732SS**  -132.3179.9-126.544.9-32.4000116.6
222S36.6Very low37.5Very low97 Ų97130.8 Ų130.868%0.67874%0.737SS**  trans-167.8142.8158.1610000113.7
223N34.5Very low37.2Very low156 Ų156132.9 Ų132.983%0.83474%0.742SS**  trans52.6147.2134.8-61.4-6.3000120.9
224S32.9Very low37Very low96 Ų96132.2 Ų132.267%0.67174%0.743SS**  cis-177.7-167.5-6.849.50000108.9
225V38.6Very low36.8Very low133 Ų133137.7 Ų137.781%0.80675%0.751SS**  trans74.7135163.4175.10000116.1
226S37.5Very low37Very low81 Ų81137.9 Ų137.957%0.56675%0.753SS**  cis-170176-19.459.80000111.2
227N36.3Very low37Very low137 Ų137134.4 Ų134.473%0.73374%0.744SS**  trans76.2141.2158.2-58.1-20.6000119.1
228T40.2Very low37.1Very low104 Ų104136.3 Ų136.364%0.63875%0.751SS**  cis-165.4135.3-17.721.50000111.4
229K37.4Very low37.3Very low202 Ų202139.4 Ų139.488%0.87876%0.76SS**  trans64.8154.7154.2-57.8169.6-177.8177.30115.9
230S35.6Very low37.3Very low100 Ų100138.9 Ų138.970%0.69976%0.759SS**  cis-146.5153.77.3-161.50000112.6
231M40.1Very low37.5Very low162 Ų162144.4 Ų144.480%0.79876%0.763SS**  trans6.3146.9154.4-65177.4179.300120.8
232N35.1Very low37.2Very low140 Ų140147.7 Ų147.775%0.74977%0.768SS**  cis-157.2168.511.7-124.9-7000113.8
233N34.4Very low37.2Very low154 Ų154151.1 Ų151.182%0.82477%0.773SS**  trans-67.5157.6178.3-62.7-16.4000113.1
234S33.7Very low37.1Very low106 Ų106148.8 Ų148.874%0.74176%0.761SS**  -168.9141.782.9-152.70000116.2
235Y34.6Very low37.1Very low207 Ų207154.4 Ų154.481%0.81277%0.773SS**  trans33.5124.2149.9-96.9-105.6000122.5P237Y235-P237 HydrophobicContact CD1-CB 3.94Å; Y235-P237 HydrophobicContact CD1-CG 4.15Å; Y235-P237 HydrophobicContact CE1-CB 4.09Å
236N44.5Very low37.1Very low144 Ų144153.8 Ų153.877%0.7777%0.766SS**  trans-136.6114.9143.1-17514.1000109.1
237P38Very low37Very low85 Ų85157.8 Ų157.855%0.55278%0.776SS**  trans-107.179.9-165.538.5-33.1000114.8Y235Y235-P237 HydrophobicContact CD1-CB 3.94Å; Y235-P237 HydrophobicContact CD1-CG 4.15Å; Y235-P237 HydrophobicContact CE1-CB 4.09Å
238F40.6Very low37.2Very low189 Ų189160.5 Ų160.583%0.82978%0.784SS**  trans-139.5-10.5168.5-87.6-72.8000116.7Y240F238-Y240 VanDerWaalsContact C-N 3.27Å; F238-Y240 PolarHBondContact O-N 2.82Å
239D42.2Very low37Very low163 Ų163163.7 Ų163.787%0.87280%0.797SS**  trans-80.364.4178.3-73.4-44.8000113.2
240Y35.4Very low37Very low217 Ų217157.7 Ų157.785%0.85179%0.792SS**  trans-146.984.6168.9-102.4-86.3000110.7F238F238-Y240 VanDerWaalsContact C-N 3.27Å; F238-Y240 PolarHBondContact O-N 2.82Å
241Y37.8Very low37Very low233 Ų233159.6 Ų159.691%0.91480%0.799SS**  trans-176.164.5144.1-89.9-56.2000110.7
242Q35.7Very low37Very low196 Ų196159.3 Ų159.392%0.91680%0.799SS**  trans-121.579161.4-85.5-162.9-1.600110.3
243Q35.4Very low37Very low169 Ų169161.3 Ų161.379%0.7980%0.804SS**  trans-158.6142.9160.9-77.7-157.7-28.500107.3
244N33.1Very low37.4Very low107 Ų107162.9 Ų162.957%0.57281%0.807SS**  cis-149.8158.9-20.2-86.1-37.1000105.2
245F33.7Very low37.7Very low213 Ų213166.3 Ų166.393%0.93481%0.808SS**  179.1125.1128-92.2-58.7000108.7
246N37.2Very low37.8Very low121 Ų121164.1 Ų164.165%0.64781%0.81SS**  trans-87.8165.2-177.1-76.927.6000111.4
247E36.4Very low37.4Very low165 Ų165161 Ų16177%0.77181%0.812SS**  31.1130.1128.4-51.8159.8142.700116.9
248E40.1Very low37.4Very low194 Ų194163 Ų16391%0.90783%0.828SS**  cis-149.9176.842.1-72.2-175.8126.600113.9
249D35.8Very low37.5Very low171 Ų171160 Ų16091%0.91483%0.825SS**  trans-68.5147.9175.1-78.9-60.1000114.1
250G37Very low37.3Very low75 Ų75160.5 Ų160.577%0.77383%0.827SS**  trans-166.693.4172.900000113.9
251V37Very low37.3Very low141 Ų141153.3 Ų153.386%0.85582%0.819SS**  trans-88.3115.1178178.10000111.1
252I39Very low37.2Very low155 Ų155146.3 Ų146.380%0.79581%0.81SS**  trans-138.1125.5160.9-58.2-178.5000108.3
253E36.3Very low37.1Very low183 Ų183147.8 Ų147.886%0.85581%0.808SS**  trans-86.1122.2163.3-66.2-175.9128.700108.9
254E41.3Very low36.9Very low187 Ų187145.1 Ų145.187%0.87481%0.808SS**  trans-156.5172.9152.8-123.3167.6-147.800113.2
255K40.1Very low37.2Very low178 Ų178148.3 Ų148.377%0.77482%0.82SS**  trans-93.6162.5-147.2-62.8175.6-179.5171.10116.4
256D36.3Very low37.4Very low160 Ų160145.6 Ų145.686%0.85681%0.814SS**  trans39.299141.3-54.9-29000118.2
257G38.1Very low37.2Very low78 Ų78145.9 Ų145.980%0.80482%0.82SS**  trans-152.660.3-178.800000115.9V259G257-V259 PolarHBondContact O-N 2.91Å
258S37Very low37.1Very low128 Ų128142.8 Ų142.890%0.89582%0.823SS**  trans-78.4100.9169.4-70.40000111.7
259V42.1Very low36.8Very low126 Ų126140.1 Ų140.176%0.76482%0.815SS**  trans-163.5124.1158.41190000112.7G257G257-V259 PolarHBondContact O-N 2.91Å
260L38.2Very low36.8Very low173 Ų173137.9 Ų137.991%0.90681%0.813SS**  trans61.1165.7167.3-56.1171.9000115.9
261G36.5Very low36.8Very low66 Ų66141.7 Ų141.768%0.6881%0.814SS**  cis-152.3172.4-1.400000112
262A35.7Very low36.7Very low87 Ų87140.5 Ų140.572%0.71981%0.812SS**  trans-73.1149.5-170.900000114.4
263Y32.2Very low36.5Very low227 Ų227138.5 Ų138.589%0.8981%0.812SS**  trans-116126.9139.1-87.8-87.1000107.9
264S32.1Very low36.4Very low112 Ų112134.5 Ų134.578%0.78380%0.804SS**  trans-160.188.8178.6-72.70000109.9
265E38.6Very low36.1Very low175 Ų175130.9 Ų130.982%0.81880%0.8SS**  trans-137.7138.7171.2-69.3-177-168.900107.3
266L39.1Very low35.9Very low156 Ų156126.9 Ų126.982%0.81780%0.8SS**  cis-145.4159.4-10.2-107.7168.8000109.3
267T33.3Very low35.8Very low126 Ų126128.6 Ų128.677%0.77380%0.8SS**  trans-84.9148.7-173.348.50000114.6
268A34.1Very low35.8Very low100 Ų100128.9 Ų128.983%0.82680%0.795SS**  trans-145.1115.5147.900000110.2
269N34.1Very low35.6Very low139 Ų139127.9 Ų127.974%0.74378%0.784SS**  trans-110.8149.4172.5-73.7-3.4000109.6
270S34.6Very low35.5Very low124 Ų124129 Ų12987%0.86779%0.785SS**  trans-123.5121.7157.155.80000109.2
271L36.7Very low35.6Very low154 Ų154128.1 Ų128.181%0.80678%0.776SS**  trans-117.2134.2-173.7-72.5165.4000111.4
272S34.5Very low35.7Very low116 Ų116130.5 Ų130.581%0.81177%0.773SS**  trans-177.2137.8161.944.80000108.5
273S34.8Very low35.9Very low114 Ų114133.5 Ų133.580%0.79777%0.77SS**  cis-151.1171.2-12.9-71.20000106.4
274S34.5Very low36.1Very low98 Ų98132.3 Ų132.369%0.68576%0.764SS**  cis-159.8154.420.7-158.80000113.1
275S36.1Very low36.3Very low111 Ų111136.5 Ų136.578%0.77676%0.762SS**  trans60.1144.4148.364.90000120.9
276A35.9Very low36.2Very low94 Ų94134.5 Ų134.578%0.77776%0.757SS**  cis-143.7168.4200000113.5
277F32.9Very low35.9Very low197 Ų197132.2 Ų132.286%0.86476%0.755SS**  trans-69.3171.3179.8-56.6-91000112.7
278A38Very low36Very low84 Ų84134.9 Ų134.969%0.69476%0.76SS**  cis-148.9137.627.100000111.1
279T34.6Very low36Very low107 Ų107138.2 Ų138.266%0.65676%0.759SS**  57.1102.472.256.20000117.1
280N38.3Very low36.3Very low149 Ų149137 Ų13780%0.79776%0.758SS**  trans148.8149132.6-78-41.7000113
281Q40.5Very low36.2Very low154 Ų154134.8 Ų134.872%0.7274%0.742SS**  cis-172169.3-28.2-112.4-69.51800107.8
282L38.8Very low36.4Very low117 Ų117136.5 Ų136.561%0.61374%0.743SS**  trans64.4102.9155.3-99.867.3000123.2
283K39.9Very low36.5Very low149 Ų149142.4 Ų142.465%0.64875%0.748SS**  62.6114.1114.7-68.9-178.8-163.2160.10123
284R37.7Very low36.4Very low202 Ų202142.4 Ų142.476%0.76275%0.748SS**  89.4120.3114.5-73.3177.2179.7-177.2-1.7122.4
285R35.6Very low36.4Very low200 Ų200140.7 Ų140.776%0.75575%0.746SS**  trans89.6111.1131-70.2171.799.6101.6-5.8121.1
286N35.6Very low36.3Very low133 Ų133143.6 Ų143.671%0.71175%0.752SS**  77.5106.8127.3-62.323.4000120.9
287S32.5Very low36.2Very low109 Ų109147.1 Ų147.176%0.76276%0.756SS**  53112123.1173.20000120.3
288M35.6Very low36Very low182 Ų182142.3 Ų142.390%0.89775%0.752SS**  -167.1147.6106.4-101.2-176.279.200112.9
289H34.1Very low35.9Very low170 Ų170143.5 Ų143.579%0.78776%0.756SS**  trans-79.2170.1162.2-107.1-44.1000109.8
290P40.7Very low35.8Very low113 Ų113146.3 Ų146.373%0.73477%0.767SS**  cis-154.3-173.937.441.5-18.3000119
291S33.6Very low36Very low77 Ų77146.4 Ų146.454%0.53877%0.765SS.*  trans81.7107.6130.9170.60000124.1
292K39.6Very low35.5Very low190 Ų190146.6 Ų146.683%0.82677%0.771SS**  89.4142.7128.3-68.7172-160.61670123.4
293R36.6Very low35.4Very low240 Ų240145.4 Ų145.491%0.90677%0.773SS**  trans72.6151.2153-80.1-175.8158.7-173.9-6.9118
294S34.3Very low35Very low115 Ų115143.8 Ų143.880%0.80478%0.78SS**  cis-170.9155.7-18.5-168.20000111.3
295G32.8Very low35.1Very low61 Ų61141.9 Ų141.963%0.62978%0.783SS**  trans92.6132174.600000112.9
296L34.5Very low35.1Very low173 Ų173141 Ų14191%0.90679%0.785SS**  cis59.3126.226.8-45.6176000111.5
297I33.7Very low35.1Very low168 Ų168143 Ų14386%0.86280%0.796SS**  cis-138.3161.340.5-76162.9000111.6
298A29.7Very low35Very low95 Ų95142.4 Ų142.479%0.78579%0.792SS**  trans-100.7155175.300000113.3
299S35Very low35.1Very low110 Ų110141.7 Ų141.777%0.76979%0.791SS**  trans-144.5140.1164.556.50000109.9
300N33.7Very low35.2Very low166 Ų166141.9 Ų141.989%0.88879%0.793SS**  trans-64.1140.9-171.6-52.7-38.9000112.7
301I41Very low35.3Very low150 Ų150144.7 Ų144.777%0.76980%0.796SS**  trans-122.6113.1151.3-65.2179.4000105.8S303I301-S303 WeakPolarHBondContact CG2-OG 3.39Å
302D31.3Very low35.9Very low158 Ų158148.2 Ų148.285%0.84581%0.808SS**  trans-81.4125.7163.8-174.95.6000107.3
303S36.8Very low36.9Very low93 Ų93145.3 Ų145.365%0.6580%0.795SS**  trans-160.791.2-178.3-77.40000110.2I301 I305I301-S303 WeakPolarHBondContact CG2-OG 3.39Å; S303-I305 PolarHBondContact O-N 2.95Å
304S30.5Very low38.7Very low114 Ų114136.4 Ų136.480%0.79777%0.77SS**  trans-51.1114.8155.2166.90000110.1
305I40.1Very low41.2Very low162 Ų162137.3 Ų137.383%0.83176%0.759SS**  trans-157.6150.2150.5-102.5147.7000108.5S303S303-I305 PolarHBondContact O-N 2.95Å
306K35Very low44Very low182 Ų182134.6 Ų134.679%0.79173%0.73SS**  trans-53.6147.5-177.2-53.3165.5-180179.40112.6
307D35.3Very low46.8Very low174 Ų174130.1 Ų130.193%0.9371%0.705SS**  -131.5142.1123.8-109.2-34.3000108.3
308S32Very low49.6Very low98 Ų98122.2 Ų122.269%0.68566%0.664SS**  trans-127.988.2-167.655.60000111.3
309D36.6Very low52.5Low166 Ų166120.2 Ų120.289%0.88864%0.64SS**  trans-85.2102.1160.1-92.3-38.7000108.7H311D309-H311 PolarHBondContact O-N 3.04Å
310E37.4Very low55.1Low174 Ų174117.7 Ų117.781%0.81361%0.614SS**  trans-68.490.2160.6-74.7-163.1157.900108.8L312E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 3.46Å
311H42.9Very low58Low172 Ų172110 Ų11080%0.79657%0.573SS**  trans-54.4102.8156-132.7-67.8000106.5D309 K313D309-H311 PolarHBondContact O-N 3.04Å; H311-K313 WeakPolarHBondContact O-CG 3.49Å; H311-K313 PolarHBondContact O-N 3.22Å
312L45.4Very low60.5Low151 Ų151104.7 Ų104.779%0.79155%0.551SS**  trans-52.5103-178.8-73.8170.9000108.7E310 S314E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 3.46Å; L312-S314 PolarHBondContact O-N 3.39Å
313K59.8Low63.5Low129 Ų12999.9 Ų99.956%0.56153%0.528SS*.  trans-75.180.1-171.4-81.8-164.8175.9-1730109.9H311 K315 E396 F397H311-K313 WeakPolarHBondContact O-CG 3.49Å; H311-K313 PolarHBondContact O-N 3.22Å; K313-K315 PolarHBondContact O-N 3.36Å; K313-K315 VanDerWaalsContact O-N 3.08Å; K313-E396 VanDerWaalsContact CD-OE1 3.31Å; K313-E396 WeakPolarHBondContact CD-OE1 3.31Å; K313-E396 WeakPolarHBondContact CE-OE1 3.17Å; K313-E396 IonicContact NZ-OE1 2.78Å; K313-E396 PolarHBondContact NZ-OE1 2.68Å; K313-E396 IonicContact NZ-OE2 2.6Å; K313-E396 PolarHBondContact NZ-OE2 2.86Å; K313-F397 HydrophobicContact CB-CE1 4.42Å; K313-F397 HydrophobicContact CB-CZ 4.11Å; K313-F397 HydrophobicContact CD-CZ 4.36Å
314S75.3Confident66.1Low53 Ų53100.6 Ų100.637%0.37152%0.52SS..  trans-45.9112.9171.149.60000110.1L312 F340L312-S314 PolarHBondContact O-N 3.39Å; S314-F340 WeakPolarHBondContact O-CB 3.5Å; S314-F340 WeakPolarHBondContact OG-CD1 3.42Å; S314-F340 WeakPolarHBondContact OG-CG 3.4Å
315K86.9Confident69Low134 Ų13497.9 Ų97.958%0.58350%0.5SS*.  trans-52.5130-175.9-175.8175.2-178.8172.20110.1K313 F397K313-K315 PolarHBondContact O-N 3.36Å; K313-K315 VanDerWaalsContact O-N 3.08Å; K315-F397 HydrophobicContact CB-CD1 4.39Å; K315-F397 HydrophobicContact CG-CD1 4.06Å
316P91.9Very high71.4Confident4 Ų490.6 Ų90.63%0.02647%0.465CS..  trans-63.2142.4178.126.5-35.6000111.5R339 L341 I345 F397 I400P316-R339 VanDerWaalsContact CA-O 3.27Å; P316-R339 WeakPolarHBondContact CA-O 3.4Å; P316-L341 HydrophobicContact CB-CB 4.11Å; P316-L341 HydrophobicContact CB-CD1 3.96Å; P316-L341 HydrophobicContact CG-CD1 4.48Å; P316-I345 HydrophobicContact CG-CD1 4.32Å; P316-F397 HydrophobicContact CG-CB 4.29Å; P316-F397 HydrophobicContact CG-CD1 4.43Å; P316-F397 HydrophobicContact CG-CD2 3.74Å; P316-F397 HydrophobicContact CG-CE2 4.14Å; P316-F397 HydrophobicContact CG-CG 3.9Å; P316-I400 HydrophobicContact CB-CD1 4.31Å; P316-I400 HydrophobicContact CG-CD1 3.49Å; P316-I400 VanDerWaalsContact CG-CD1 3.49Å; P316-I400 HydrophobicContact CG-CG1 4.06Å; P316-I400 WeakPolarHBondContact O-CG2 3.38Å
317E91.7Very high74.1Confident80 Ų8084.2 Ų84.237%0.37444%0.442SS..EExtended strand (participates in β ladder)trans-128.4138.4-176.1-166.6-169.1174.600110.9L319 C338 R339E317-L319 VanDerWaalsContact CD-CD2 3.43Å; E317-L319 HydrophobicContact CG-CD2 4.03Å; E317-L319 WeakPolarHBondContact OE2-CD2 3.47Å; E317-C338 CarbonylContact O-C 3.53Å; E317-C338 VanDerWaalsContact O-CA 3.23Å; E317-C338 WeakPolarHBondContact O-CA 3.34Å; E317-R339 HydrophobicContact CB-CB 4.44Å; E317-R339 PolarHBondContact N-O 3.38Å; E317-R339 PolarHBondContact O-N 3.43Å
318L93.6Very high76.7Confident1 Ų176.8 Ų76.81%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-106.896178.7-56.7-179.8000110I336 C338 L341 I392 I400 C402L318-I336 HydrophobicContact CB-CG2 4.25Å; L318-I336 HydrophobicContact CD2-CG2 4.18Å; L318-C338 HydrophobicContact CD2-CB 4.1Å; L318-C338 WeakPolarHBondContact CD2-SG 3.36Å; L318-L341 HydrophobicContact CD2-CD2 4.18Å; L318-I392 HydrophobicContact CD1-CD1 4Å; L318-I392 HydrophobicContact CD1-CG1 4.02Å; L318-I392 HydrophobicContact CD2-CD1 3.78Å; L318-I392 HydrophobicContact CG-CD1 4.45Å; L318-I400 HydrophobicContact CD1-CG2 4.11Å; L318-I400 WeakPolarHBondContact CD1-O 3.29Å; L318-I400 HydrophobicContact CG-CG2 3.91Å; L318-C402 HydrophobicContact CB-CB 3.75Å; L318-C402 HydrophobicContact CD1-CB 4.02Å
319L89.5Confident79.3Confident53 Ų5375.7 Ų75.728%0.27740%0.396SS..EExtended strand (participates in β ladder)trans-73.4-49.7-165-59.6179.7000114.1E317 Y337 R339E317-L319 VanDerWaalsContact CD-CD2 3.43Å; E317-L319 HydrophobicContact CG-CD2 4.03Å; E317-L319 WeakPolarHBondContact OE2-CD2 3.47Å; L319-Y337 WeakPolarHBondContact CB-O 3.24Å; L319-Y337 PolarHBondContact N-O 3.23Å; L319-R339 HydrophobicContact CD1-CG 3.81Å; L319-R339 HydrophobicContact CD2-CG 4.25Å; L319-R339 HydrophobicContact CG-CG 4.15Å
320R91Very high81.8Confident58 Ų5868.1 Ų68.122%0.21936%0.357CS..EExtended strand (participates in β ladder)trans-157.9159.1-171.963.1166.8-168.4160.72.7112.1I336 Y337R320-I336 WeakPolarHBondContact O-CA 3.36Å; R320-Y337 HydrophobicContact CG-CD2 3.81Å; R320-Y337 HydrophobicContact CG-CG 4.02Å; R320-Y337 VanDerWaalsContact NE-CD2 3.29Å; R320-Y337 PolarHBondContact O-N 3.48Å
321I95Very high84Confident5 Ų563.1 Ų63.13%0.02635%0.353CS..EExtended strand (participates in β ladder)trans-119148.5173.774.4177.7000111.7K324 L334 T335 I336 Q404 E405 F406I321-K324 HydrophobicContact CG1-CG 4.13Å; I321-L334 HydrophobicContact CB-CD1 4Å; I321-L334 HydrophobicContact CB-CD2 4.39Å; I321-L334 HydrophobicContact CB-CG 4.41Å; I321-L334 HydrophobicContact CD1-CD1 4.42Å; I321-L334 HydrophobicContact CG1-CD1 4.42Å; I321-L334 HydrophobicContact CG2-CD2 4.47Å; I321-T335 CarbonylContact C-O 3.55Å; I321-T335 WeakPolarHBondContact CA-O 3.46Å; I321-I336 HydrophobicContact CG2-CG1 4.16Å; I321-I336 HydrophobicContact CG2-CG2 4.38Å; I321-Q404 HydrophobicContact CD1-CB 4.33Å; I321-Q404 HydrophobicContact CG1-CB 4.08Å; I321-Q404 HydrophobicContact CG2-CB 4.44Å; I321-E405 WeakPolarHBondContact CD1-O 3.35Å; I321-F406 HydrophobicContact CD1-CB 3.9Å; I321-F406 HydrophobicContact CD1-CD2 4.25Å
322A93Very high86.2Confident38 Ų3856.1 Ų56.131%0.31432%0.322SS..EExtended strand (participates in β ladder)trans-147.3126.6171.700000110.9T335 Y337A322-T335 PolarHBondContact N-O 2.89Å; A322-T335 PolarHBondContact O-N 3.46Å; A322-Y337 HydrophobicContact CB-CE2 4.4Å
323P93.9Very high88.6Confident56 Ų5652.8 Ų52.836%0.36430%0.302SS..SBendcis-71.2162.3-4.232.2-36.4000112.9C325 T332 L334P323-C325 VanDerWaalsContact C-N 3.29Å; P323-C325 PolarHBondContact O-N 2.93Å; P323-T332 HydrophobicContact CG-CG2 3.63Å; P323-L334 WeakPolarHBondContact O-CD1 3.34Å
324K91.6Very high90.2Very high108 Ų10846.7 Ų46.747%0.4728%0.276SS..SBendtrans-81.4-3.7176.3-62.2-165.7177.4-167.20113.8E122 I321 T407E122-K324 IonicContact OE2-NZ 2.73Å; I321-K324 HydrophobicContact CG1-CG 4.13Å; K324-T407 PolarHBondContact O-N 2.85Å
325C91.7Very high91.2Very high58 Ų5845.1 Ų45.139%0.39226%0.264SS..EExtended strand (participates in β ladder)trans-156.1163.8179.160.20000113.2P323 F406 T407 L409P323-C325 VanDerWaalsContact C-N 3.29Å; P323-C325 PolarHBondContact O-N 2.93Å; C325-F406 VanDerWaalsContact C-CE2 3.5Å; C325-F406 VanDerWaalsContact C-CZ 3.4Å; C325-T407 WeakPolarHBondContact CA-O 3.29Å; C325-T407 WeakPolarHBondContact CB-O 3.42Å; C325-L409 HydrophobicContact CB-CD1 4.35Å; C325-L409 HydrophobicContact CB-CG 4.34Å
326G90.4Very high91.6Very high9 Ų938.7 Ų38.79%0.09324%0.236CC..EExtended strand (participates in β ladder)trans-164.8178.9176.300000111.5T407 Y408 L409G326-T407 PolarHBondContact N-O 3.41Å; G326-T407 VanDerWaalsContact N-O 3.11Å; G326-Y408 CarbonylContact O-C 3.59Å; G326-Y408 WeakPolarHBondContact O-CA 3.25Å; G326-L409 PolarHBondContact O-N 2.85Å
327P90.7Very high91.7Very high48 Ų4841.3 Ų41.331%0.31225%0.246SC..EExtended strand (participates in β ladder)trans-79.7150-178.833.3-35.3000112.7S329 G330 T332 Y408P327-S329 WeakPolarHBondContact CG-OG 3.25Å; P327-S329 PolarHBondContact O-N 3.4Å; P327-G330 PolarHBondContact O-N 2.96Å; P327-T332 WeakPolarHBondContact CD-OG1 3.34Å; P327-Y408 WeakPolarHBondContact O-CD1 3.49Å
328S90Very high91.7Very high17 Ų1737.5 Ų37.512%0.11923%0.228CC..THydrogen-bonded Turntrans-57.1-16.1173.445.60000115.1G330 S382 L383 L409 S411S328-G330 PolarHBondContact O-N 2.99Å; S328-S382 CarbonylContact O-C 3.38Å; S328-S382 WeakPolarHBondContact O-CA 3.43Å; S328-L383 CarbonylContact C-O 3.56Å; S328-L383 VanDerWaalsContact CA-O 3.25Å; S328-L383 WeakPolarHBondContact CA-O 3.47Å; S328-L383 WeakPolarHBondContact CB-O 3.45Å; S328-L383 PolarHBondContact O-N 3.01Å; S328-L383 VanDerWaalsContact O-O 3.06Å; S328-L409 WeakPolarHBondContact CB-O 3.06Å; S328-L409 PolarHBondContact N-O 3.02Å; S328-L409 PolarHBondContact OG-O 2.8Å; S328-S411 WeakPolarHBondContact OG-CB 3.4Å; S328-S411 PolarHBondContact OG-N 2.87Å; S328-S411 PolarHBondContact OG-OG 2.78Å
329S87.7Confident91.6Very high76 Ų7640.4 Ų40.453%0.53124%0.239SC..THydrogen-bonded Turntrans-69.3-8.2170.558.20000114.2P327P327-S329 WeakPolarHBondContact CG-OG 3.25Å; P327-S329 PolarHBondContact O-N 3.4Å
330G88.1Confident91.6Very high6 Ų640.9 Ų40.96%0.06224%0.239CC..  trans71-156.3-173.900000112.7P327 S328 T332 M380 P381P327-G330 PolarHBondContact O-N 2.96Å; S328-G330 PolarHBondContact O-N 2.99Å; G330-T332 VanDerWaalsContact C-N 3.3Å; G330-T332 PolarHBondContact O-N 2.97Å; G330-M380 CarbonylContact C-O 3.55Å; G330-M380 WeakPolarHBondContact CA-O 3.47Å; G330-P381 VanDerWaalsContact CA-O 3.3Å; G330-P381 WeakPolarHBondContact CA-O 3.33Å
331G84.2Confident91.7Very high70 Ų7038.2 Ų38.272%0.72223%0.229SC*.  trans76.311.1175.800000115M380G331-M380 PolarHBondContact N-O 2.77Å
332T89.7Confident91.4Very high25 Ų2540.5 Ų40.515%0.15324%0.243CC..  trans-86.1127.1172.8-59.50000109.6P323 P327 G330 L334 M380 F406P323-T332 HydrophobicContact CG-CG2 3.63Å; P327-T332 WeakPolarHBondContact CD-OG1 3.34Å; G330-T332 VanDerWaalsContact C-N 3.3Å; G330-T332 PolarHBondContact O-N 2.97Å; T332-L334 PolarHBondContact O-N 3.33Å; T332-M380 WeakPolarHBondContact O-CB 3.42Å; T332-M380 WeakPolarHBondContact O-CG 3.45Å; T332-M380 PolarHBondContact O-N 3.39Å; T332-F406 HydrophobicContact CG2-CE2 4.47Å; T332-F406 HydrophobicContact CG2-CZ 4.34Å
333E94.2Very high91.3Very high81 Ų8141.8 Ų41.838%0.37925%0.247SC..EExtended strand (participates in β ladder)trans-76113.2166.9-173.2-176.2164.400108.8R377E333-R377 WeakPolarHBondContact OE1-CD 3.41Å; E333-R377 IonicContact OE1-CZ 2.76Å; E333-R377 IonicContact OE1-NE 2.74Å; E333-R377 IonicContact OE1-NH1 3.46Å; E333-R377 PolarHBondContact OE1-NH1 2.86Å
334L94.5Very high90.9Very high0 Ų045 Ų450%026%0.257CS..EExtended strand (participates in β ladder)trans-97.4126.3175.6-174.169.4000109.7I321 P323 T332 I336 R377 V378 M380 I390 F406I321-L334 HydrophobicContact CB-CD1 4Å; I321-L334 HydrophobicContact CB-CD2 4.39Å; I321-L334 HydrophobicContact CB-CG 4.41Å; I321-L334 HydrophobicContact CD1-CD1 4.42Å; I321-L334 HydrophobicContact CG1-CD1 4.42Å; I321-L334 HydrophobicContact CG2-CD2 4.47Å; P323-L334 WeakPolarHBondContact O-CD1 3.34Å; T332-L334 PolarHBondContact O-N 3.33Å; L334-I336 HydrophobicContact CD2-CD1 4.46Å; L334-I336 HydrophobicContact CD2-CG1 4.14Å; L334-I336 HydrophobicContact CG-CG1 4.33Å; L334-R377 CarbonylContact O-C 3.57Å; L334-R377 VanDerWaalsContact O-CA 3.3Å; L334-R377 WeakPolarHBondContact O-CA 3.26Å; L334-V378 HydrophobicContact CB-CB 4.44Å; L334-V378 WeakPolarHBondContact CB-O 3.44Å; L334-V378 PolarHBondContact N-O 3.36Å; L334-V378 PolarHBondContact O-N 2.93Å; L334-M380 HydrophobicContact CB-CG 3.78Å; L334-M380 HydrophobicContact CB-SD 3.72Å; L334-M380 HydrophobicContact CD2-CE 3.99Å; L334-M380 HydrophobicContact CD2-CG 4.48Å; L334-M380 HydrophobicContact CD2-SD 3.56Å; L334-M380 VanDerWaalsContact CD2-SD 3.56Å; L334-M380 HydrophobicContact CG-SD 4.24Å; L334-I390 HydrophobicContact CD2-CD1 3.26Å; L334-F406 HydrophobicContact CD1-CD2 3.71Å; L334-F406 HydrophobicContact CD1-CE2 3.88Å; L334-F406 HydrophobicContact CD2-CD2 4.25Å
335T95.2Very high90.9Very high20 Ų2040.7 Ų40.712%0.12324%0.239CC..EExtended strand (participates in β ladder)trans-100.5117.2169.6-53.80000110.1I321 A322 Y337 Q375I321-T335 CarbonylContact C-O 3.55Å; I321-T335 WeakPolarHBondContact CA-O 3.46Å; A322-T335 PolarHBondContact N-O 2.89Å; A322-T335 PolarHBondContact O-N 3.46Å; T335-Y337 HydrophobicContact CG2-CD2 4.11Å; T335-Y337 HydrophobicContact CG2-CE1 4.48Å; T335-Y337 HydrophobicContact CG2-CE2 3.54Å; T335-Q375 HydrophobicContact CG2-CB 4.13Å; T335-Q375 HydrophobicContact CG2-CG 4.29Å
336I95.4Very high90.9Very high0 Ų038 Ų380%022%0.221CC..EExtended strand (participates in β ladder)trans-98.2129.5171.9-48.6173.5000107.4L318 R320 I321 L334 Q375 L376 V378 I390L318-I336 HydrophobicContact CB-CG2 4.25Å; L318-I336 HydrophobicContact CD2-CG2 4.18Å; R320-I336 WeakPolarHBondContact O-CA 3.36Å; I321-I336 HydrophobicContact CG2-CG1 4.16Å; I321-I336 HydrophobicContact CG2-CG2 4.38Å; L334-I336 HydrophobicContact CD2-CD1 4.46Å; L334-I336 HydrophobicContact CD2-CG1 4.14Å; L334-I336 HydrophobicContact CG-CG1 4.33Å; I336-Q375 CarbonylContact O-C 3.52Å; I336-Q375 WeakPolarHBondContact O-CA 3.42Å; I336-L376 HydrophobicContact CB-CB 4.33Å; I336-L376 WeakPolarHBondContact CB-O 3.48Å; I336-L376 HydrophobicContact CD1-CD2 4.24Å; I336-L376 HydrophobicContact CD1-CG 4.46Å; I336-L376 PolarHBondContact N-O 2.86Å; I336-L376 PolarHBondContact O-N 3.35Å; I336-V378 HydrophobicContact CD1-CG2 3.78Å; I336-V378 HydrophobicContact CG1-CG2 4.43Å; I336-I390 HydrophobicContact CD1-CG2 3.72Å
337Y93.8Very high90.8Very high58 Ų5843.8 Ų43.823%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-99.2125.6178.7-66.4-104.1000109.2L319 R320 A322 T335 Q375L319-Y337 WeakPolarHBondContact CB-O 3.24Å; L319-Y337 PolarHBondContact N-O 3.23Å; R320-Y337 HydrophobicContact CG-CD2 3.81Å; R320-Y337 HydrophobicContact CG-CG 4.02Å; R320-Y337 VanDerWaalsContact NE-CD2 3.29Å; R320-Y337 PolarHBondContact O-N 3.48Å; A322-Y337 HydrophobicContact CB-CE2 4.4Å; T335-Y337 HydrophobicContact CG2-CD2 4.11Å; T335-Y337 HydrophobicContact CG2-CE1 4.48Å; T335-Y337 HydrophobicContact CG2-CE2 3.54Å; Y337-Q375 HydrophobicContact CD1-CG 3.85Å; Y337-Q375 HydrophobicContact CE1-CG 3.92Å
338C93.2Very high90.6Very high0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-124.1151.2-165.1-500000111.1E317 L318 L341 S374E317-C338 CarbonylContact O-C 3.53Å; E317-C338 VanDerWaalsContact O-CA 3.23Å; E317-C338 WeakPolarHBondContact O-CA 3.34Å; L318-C338 HydrophobicContact CD2-CB 4.1Å; L318-C338 WeakPolarHBondContact CD2-SG 3.36Å; C338-L341 HydrophobicContact CB-CB 3.77Å; C338-L341 HydrophobicContact CB-CD2 3.9Å; C338-S374 PolarHBondContact N-O 3.49Å; C338-S374 PolarHBondContact O-N 3.07Å
339R91.2Very high90.8Very high63 Ų6347.8 Ų47.824%0.23826%0.257CS..EExtended strand (participates in β ladder)trans-111.8143.5164-62.3-172.579.1-159.84.7111.1P316 E317 L319 L341 D372 L373P316-R339 VanDerWaalsContact CA-O 3.27Å; P316-R339 WeakPolarHBondContact CA-O 3.4Å; E317-R339 HydrophobicContact CB-CB 4.44Å; E317-R339 PolarHBondContact N-O 3.38Å; E317-R339 PolarHBondContact O-N 3.43Å; L319-R339 HydrophobicContact CD1-CG 3.81Å; L319-R339 HydrophobicContact CD2-CG 4.25Å; L319-R339 HydrophobicContact CG-CG 4.15Å; R339-L341 PolarHBondContact O-N 2.88Å; R339-D372 WeakPolarHBondContact CA-O 3.31Å; R339-D372 WeakPolarHBondContact CB-O 3.49Å; R339-D372 IonicContact CZ-OD2 2.97Å; R339-D372 IonicContact NE-OD2 3.24Å; R339-D372 PolarHBondContact NE-OD2 2.72Å; R339-D372 VanDerWaalsContact NE-OD2 3.13Å; R339-D372 IonicContact NH2-OD2 3.77Å; R339-D372 PolarHBondContact NH2-OD2 3.38Å; R339-L373 HydrophobicContact CG-CD2 3.99Å
340F89.9Confident91.1Very high62 Ų6247.4 Ų47.427%0.27225%0.251SS..SBendtrans54.64.7177.8-46.5-66.3000116.5S314 T342 I345 D372S314-F340 WeakPolarHBondContact O-CB 3.5Å; S314-F340 WeakPolarHBondContact OG-CD1 3.42Å; S314-F340 WeakPolarHBondContact OG-CG 3.4Å; F340-T342 PolarHBondContact O-N 2.92Å; F340-I345 WeakPolarHBondContact O-CD1 3.26Å; F340-D372 HydrophobicContact CD1-CB 4.14Å; F340-D372 HydrophobicContact CE1-CB 3.59Å; F340-D372 HydrophobicContact CZ-CB 4.17Å; F340-D372 PolarHBondContact N-O 3.05Å; F340-D372 VanDerWaalsContact N-O 3.1Å
341L91.3Very high91.5Very high2 Ų247.1 Ų47.11%0.0125%0.248CC..  trans-78.2111.6175.3-172.773.2000109P316 L318 C338 R339 I345 M346 L365 S374 L376 I392P316-L341 HydrophobicContact CB-CB 4.11Å; P316-L341 HydrophobicContact CB-CD1 3.96Å; P316-L341 HydrophobicContact CG-CD1 4.48Å; L318-L341 HydrophobicContact CD2-CD2 4.18Å; C338-L341 HydrophobicContact CB-CB 3.77Å; C338-L341 HydrophobicContact CB-CD2 3.9Å; R339-L341 PolarHBondContact O-N 2.88Å; L341-I345 HydrophobicContact CD1-CB 4.48Å; L341-I345 HydrophobicContact CD1-CG2 4.02Å; L341-M346 HydrophobicContact CD1-CG 4.29Å; L341-M346 HydrophobicContact CD1-SD 3.73Å; L341-M346 HydrophobicContact CD2-CG 4.4Å; L341-M346 HydrophobicContact CD2-SD 3.93Å; L341-M346 HydrophobicContact CG-CG 4.16Å; L341-M346 HydrophobicContact CG-SD 4Å; L341-L365 HydrophobicContact CD2-CD1 3.82Å; L341-L365 HydrophobicContact CG-CD1 4.23Å; L341-S374 WeakPolarHBondContact O-CB 3.46Å; L341-S374 PolarHBondContact O-OG 3.36Å; L341-L376 HydrophobicContact CD2-CB 4.31Å; L341-L376 HydrophobicContact CD2-CD2 4.39Å; L341-I392 HydrophobicContact CD1-CD1 3.97Å; L341-I392 HydrophobicContact CD2-CD1 3.55Å; L341-I392 HydrophobicContact CG-CD1 4.43Å
342T90.2Very high92Very high53 Ų5345.4 Ų45.433%0.32522%0.221SC..  trans-111.4165.2-178.265.40000111.9F340 E344 I345 M346F340-T342 PolarHBondContact O-N 2.92Å; T342-E344 PolarHBondContact O-N 2.62Å; T342-I345 PolarHBondContact O-N 2.9Å; T342-M346 WeakPolarHBondContact O-CG 3.49Å; T342-M346 PolarHBondContact O-N 3.01Å
343T89.6Confident92.3Very high65 Ų6544.2 Ų44.240%0.39921%0.214SC..Hα-helixtrans-60.1-30.9176.2-58.40000111.2M346 K347 E367T343-M346 PolarHBondContact O-N 3.27Å; T343-K347 WeakPolarHBondContact O-CG 3.25Å; T343-K347 PolarHBondContact O-N 2.88Å; T343-E367 WeakPolarHBondContact CB-OE1 3.24Å; T343-E367 PolarHBondContact N-OE1 3.39Å; T343-E367 PolarHBondContact OG1-OE1 3Å
344E86.9Confident92.2Very high124 Ų12440.7 Ų40.758%0.57920%0.2SC*.Hα-helixtrans-64.4-45.7176.4-15563.7-133.700111.7T342 M346 K347T342-E344 PolarHBondContact O-N 2.62Å; E344-M346 VanDerWaalsContact C-N 3.34Å; E344-K347 PolarHBondContact O-N 3.12Å; E344-K347 VanDerWaalsContact OE1-CD 3.28Å; E344-K347 WeakPolarHBondContact OE1-CD 3.31Å; E344-K347 IonicContact OE1-NZ 2.74Å; E344-K347 PolarHBondContact OE1-NZ 2.76Å; E344-K347 IonicContact OE2-NZ 2.62Å; E344-K347 PolarHBondContact OE2-NZ 2.87Å
345I90.1Very high92Very high17 Ų1747.6 Ų47.69%0.08724%0.236CC..Hα-helixtrans-61.3-46.6174.1-59170.9000109.2P316 F340 L341 T342 K347 S349 S394 F397P316-I345 HydrophobicContact CG-CD1 4.32Å; F340-I345 WeakPolarHBondContact O-CD1 3.26Å; L341-I345 HydrophobicContact CD1-CB 4.48Å; L341-I345 HydrophobicContact CD1-CG2 4.02Å; T342-I345 PolarHBondContact O-N 2.9Å; I345-K347 VanDerWaalsContact C-N 3.31Å; I345-K347 PolarHBondContact O-N 3.39Å; I345-S349 PolarHBondContact O-OG 2.91Å; I345-S394 VanDerWaalsContact CG2-OG 3.31Å; I345-S394 WeakPolarHBondContact CG2-OG 3.41Å; I345-F397 HydrophobicContact CD1-CD2 4.23Å; I345-F397 HydrophobicContact CD1-CE2 3.55Å; I345-F397 HydrophobicContact CD1-CZ 4.37Å; I345-F397 HydrophobicContact CG1-CD2 4.48Å; I345-F397 HydrophobicContact CG1-CE2 3.91Å; I345-F397 HydrophobicContact CG2-CD2 4.16Å; I345-F397 HydrophobicContact CG2-CE2 4.42Å
346M92.1Very high91.8Very high3 Ų350.9 Ų50.92%0.01525%0.25CS..Hα-helixtrans-68.9-20.3-177.8-66.4-55.1-64.200114.7L341 T342 T343 E344 Q348 S349 V351 W363 L365 L376 I392L341-M346 HydrophobicContact CD1-CG 4.29Å; L341-M346 HydrophobicContact CD1-SD 3.73Å; L341-M346 HydrophobicContact CD2-CG 4.4Å; L341-M346 HydrophobicContact CD2-SD 3.93Å; L341-M346 HydrophobicContact CG-CG 4.16Å; L341-M346 HydrophobicContact CG-SD 4Å; T342-M346 WeakPolarHBondContact O-CG 3.49Å; T342-M346 PolarHBondContact O-N 3.01Å; T343-M346 PolarHBondContact O-N 3.27Å; E344-M346 VanDerWaalsContact C-N 3.34Å; M346-Q348 PolarHBondContact O-N 2.9Å; M346-S349 PolarHBondContact O-N 3.12Å; M346-V351 HydrophobicContact CE-CG2 3.76Å; M346-W363 HydrophobicContact CB-CH2 4.18Å; M346-W363 HydrophobicContact CB-CZ3 4.04Å; M346-W363 HydrophobicContact CE-CD2 4.34Å; M346-W363 HydrophobicContact CE-CE3 3.75Å; M346-W363 HydrophobicContact CE-CH2 3.51Å; M346-W363 HydrophobicContact CE-CZ2 4.09Å; M346-W363 HydrophobicContact CE-CZ3 3.32Å; M346-W363 HydrophobicContact CG-CZ3 4.5Å; M346-W363 WeakPolarHBondContact O-CH2 3.32Å; M346-L365 HydrophobicContact CG-CB 4.46Å; M346-L365 HydrophobicContact CG-CD2 4Å; M346-L376 HydrophobicContact CE-CD1 4.04Å; M346-L376 HydrophobicContact CE-CD2 4.11Å; M346-I392 HydrophobicContact CE-CD1 4.35Å; M346-I392 HydrophobicContact CE-CG2 4.29Å; M346-I392 HydrophobicContact SD-CD1 3.94Å; M346-I392 HydrophobicContact SD-CG2 4Å
347K88.3Confident91.8Very high129 Ų12955 Ų5556%0.56128%0.277SS*.THydrogen-bonded Turntrans-57.6-33.2178.3-84.7167.6-177.9170.90113.7T343 E344 I345T343-K347 WeakPolarHBondContact O-CG 3.25Å; T343-K347 PolarHBondContact O-N 2.88Å; E344-K347 PolarHBondContact O-N 3.12Å; E344-K347 VanDerWaalsContact OE1-CD 3.28Å; E344-K347 WeakPolarHBondContact OE1-CD 3.31Å; E344-K347 IonicContact OE1-NZ 2.74Å; E344-K347 PolarHBondContact OE1-NZ 2.76Å; E344-K347 IonicContact OE2-NZ 2.62Å; E344-K347 PolarHBondContact OE2-NZ 2.87Å; I345-K347 VanDerWaalsContact C-N 3.31Å; I345-K347 PolarHBondContact O-N 3.39Å
348Q86.8Confident91.8Very high144 Ų14452.9 Ų52.967%0.67327%0.27SS*.THydrogen-bonded Turntrans-118.416.4-178.5-58.7-172.27.300112.4M346 V395M346-Q348 PolarHBondContact O-N 2.9Å; Q348-V395 HydrophobicContact CB-CG2 3.97Å
349S93.4Very high91.8Very high6 Ų655.7 Ų55.74%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-107152.2-179.5-58.40000112.2I345 M346 W363 D393 S394I345-S349 PolarHBondContact O-OG 2.91Å; M346-S349 PolarHBondContact O-N 3.12Å; S349-W363 WeakPolarHBondContact O-CZ2 3.39Å; S349-D393 CarbonylContact C-O 3.59Å; S349-D393 WeakPolarHBondContact CA-O 3.45Å; S349-D393 WeakPolarHBondContact CB-O 3.34Å; S349-S394 WeakPolarHBondContact OG-CA 3.21Å; S349-S394 VanDerWaalsContact OG-CB 3.29Å; S349-S394 WeakPolarHBondContact OG-CB 3.46Å; S349-S394 PolarHBondContact OG-OG 3.37Å
350T94.3Very high91.8Very high67 Ų6759.1 Ų59.141%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-118.2140.3175.239.80000110.6F352 I392 D393T350-F352 WeakPolarHBondContact OG1-CE2 3.15Å; T350-I392 CarbonylContact O-C 3.45Å; T350-I392 WeakPolarHBondContact O-CA 3.35Å; T350-D393 PolarHBondContact N-O 3.42Å; T350-D393 PolarHBondContact O-N 3.01Å
351V96.3Very high91.9Very high0 Ų063.3 Ų63.30%033%0.328CS..EExtended strand (participates in β ladder)trans-99.6135.1-179.4-176.70000109M346 V358 W363 L376 V378 I392M346-V351 HydrophobicContact CE-CG2 3.76Å; V351-V358 HydrophobicContact CB-CB 4.42Å; V351-V358 HydrophobicContact CG1-CG2 4.45Å; V351-V358 PolarHBondContact O-N 3.3Å; V351-W363 HydrophobicContact CB-CG 4.32Å; V351-W363 HydrophobicContact CG2-CD2 3.75Å; V351-W363 HydrophobicContact CG2-CE3 4.39Å; V351-W363 HydrophobicContact CG2-CG 3.81Å; V351-W363 HydrophobicContact CG2-CZ2 4.32Å; V351-L376 HydrophobicContact CG2-CD2 3.97Å; V351-V378 HydrophobicContact CG1-CG1 4.28Å; V351-V378 HydrophobicContact CG1-CG2 4.09Å; V351-I392 HydrophobicContact CG2-CG1 4.44Å
352F96.3Very high92Very high34 Ų3466.6 Ų66.615%0.14935%0.346CS..EExtended strand (participates in β ladder)trans-126.2146.6-178.1-70.6-96.5000112.5T350 H356 P357 I390 Y391 D393T350-F352 WeakPolarHBondContact OG1-CE2 3.15Å; F352-H356 WeakPolarHBondContact CA-O 3.31Å; F352-P357 HydrophobicContact CD1-CB 3.98Å; F352-P357 HydrophobicContact CE1-CB 3.72Å; F352-P357 HydrophobicContact CE1-CG 4.32Å; F352-P357 HydrophobicContact CZ-CB 4.27Å; F352-I390 WeakPolarHBondContact O-CA 3.41Å; F352-Y391 HydrophobicContact CB-CD1 4.12Å; F352-Y391 HydrophobicContact CB-CD2 3.85Å; F352-Y391 HydrophobicContact CB-CE1 3.74Å; F352-Y391 HydrophobicContact CB-CE2 3.46Å; F352-Y391 VanDerWaalsContact CB-CE2 3.46Å; F352-Y391 HydrophobicContact CB-CG 4.17Å; F352-Y391 HydrophobicContact CD1-CE2 4.17Å; F352-Y391 AromaticContact CD2-CD2 3.85Å; F352-Y391 HydrophobicContact CD2-CD2 3.85Å; F352-Y391 AromaticContact CD2-CE2 3.36Å; F352-Y391 HydrophobicContact CD2-CE2 3.36Å; F352-Y391 HydrophobicContact CE2-CE2 4.06Å; F352-Y391 HydrophobicContact CG-CD2 4.11Å; F352-Y391 HydrophobicContact CG-CE1 4.44Å; F352-Y391 AromaticContact CG-CE2 3.42Å; F352-Y391 HydrophobicContact CG-CE2 3.42Å; F352-Y391 VanDerWaalsContact CG-CE2 3.42Å; F352-Y391 AromaticContact CG-CZ 3.6Å; F352-Y391 PolarHBondContact N-O 3.12Å; F352-Y391 PolarHBondContact O-N 2.81Å; F352-D393 HydrophobicContact CD2-CB 4.27Å; F352-D393 HydrophobicContact CE2-CB 3.78Å
353V95.1Very high92.1Very high0 Ų064.4 Ų64.40%033%0.331CS..EExtended strand (participates in β ladder)trans-122.599.7171.1-178.80000107.7D355 H356 V358 M380 L383 Y388 S389 I390 Y408V353-D355 PolarHBondContact O-N 3Å; V353-H356 PolarHBondContact N-O 3.01Å; V353-H356 PolarHBondContact O-N 2.87Å; V353-V358 HydrophobicContact CG2-CG2 3.82Å; V353-M380 HydrophobicContact CB-CE 4.41Å; V353-M380 HydrophobicContact CG1-CE 3.72Å; V353-M380 HydrophobicContact CG2-CE 3.74Å; V353-M380 HydrophobicContact CG2-SD 4.15Å; V353-L383 HydrophobicContact CB-CD1 4.25Å; V353-L383 HydrophobicContact CG1-CD1 3.76Å; V353-Y388 HydrophobicContact CG1-CD1 4.32Å; V353-Y388 HydrophobicContact CG1-CG 4.19Å; V353-S389 CarbonylContact C-O 3.5Å; V353-I390 HydrophobicContact CG2-CG1 4.37Å; V353-Y408 HydrophobicContact CG1-CE2 3.96Å
354G91.7Very high92.3Very high8 Ų865.3 Ų65.38%0.08233%0.33CS..THydrogen-bonded Turntrans56.7-126.4-16000000110.5H356 S389 Y391G354-H356 VanDerWaalsContact C-N 3.32Å; G354-S389 PolarHBondContact N-O 2.93Å; G354-Y391 WeakPolarHBondContact O-CE1 3.34Å; G354-Y391 PolarHBondContact O-OH 3.35Å; G354-Y391 VanDerWaalsContact O-OH 3.05Å
355D90.5Very high92.6Very high144 Ų14460.8 Ų60.877%0.7731%0.309SS*.THydrogen-bonded Turntrans-87.41.1179.1-52.5-51.2000113.5V353 P357V353-D355 PolarHBondContact O-N 3Å; D355-P357 WeakPolarHBondContact O-CD 3.33Å
356H92.1Very high92.6Very high90 Ų9063.2 Ų63.242%0.41732%0.323SS..EExtended strand (participates in β ladder)trans-95.3116.9-177-66.1-83.4000112F352 V353 G354 L383F352-H356 WeakPolarHBondContact CA-O 3.31Å; V353-H356 PolarHBondContact N-O 3.01Å; V353-H356 PolarHBondContact O-N 2.87Å; G354-H356 VanDerWaalsContact C-N 3.32Å; H356-L383 HydrophobicContact CB-CD1 4.37Å; H356-L383 HydrophobicContact CB-CD2 4.2Å; H356-L383 WeakPolarHBondContact CD2-CD2 3.45Å
357P94.8Very high92.3Very high87 Ų8767.7 Ų67.757%0.56534%0.343SS*.EExtended strand (participates in β ladder)trans-71140.4171.429.3-33.5000110.8F352 D355F352-P357 HydrophobicContact CD1-CB 3.98Å; F352-P357 HydrophobicContact CE1-CB 3.72Å; F352-P357 HydrophobicContact CE1-CG 4.32Å; F352-P357 HydrophobicContact CZ-CB 4.27Å; D355-P357 WeakPolarHBondContact O-CD 3.33Å
358V94.1Very high91.8Very high13 Ų1364.1 Ų64.18%0.07934%0.335CS..PPolyproline II helixtrans-94.2136.7175.9-174.10000109.6V351 V353 D362 V378V351-V358 HydrophobicContact CB-CB 4.42Å; V351-V358 HydrophobicContact CG1-CG2 4.45Å; V351-V358 PolarHBondContact O-N 3.3Å; V353-V358 HydrophobicContact CG2-CG2 3.82Å; V358-D362 HydrophobicContact CG1-CB 3.53Å; V358-V378 HydrophobicContact CB-CG1 4.4Å; V358-V378 HydrophobicContact CG1-CG1 3.92Å; V358-V378 HydrophobicContact CG2-CG1 4.04Å
359S92.7Very high91Very high59 Ų5963.5 Ų63.541%0.41335%0.346SS..PPolyproline II helixtrans-58.9151.5-178.6-169.40000111.8D361 D362 W363S359-D361 PolarHBondContact O-N 2.85Å; S359-D362 WeakPolarHBondContact CB-OD2 3.45Å; S359-D362 PolarHBondContact O-N 3.39Å; S359-W363 PolarHBondContact O-NE1 2.96Å
360R90.7Very high89.7Confident135 Ų13568.2 Ų68.251%0.50937%0.368SS..G310 helixtrans-61.9-28.4177.5-177.259.5-16893.6-14.6112.5W363R360-W363 VanDerWaalsContact CZ-CH2 3.47Å; R360-W363 VanDerWaalsContact CZ-CZ3 3.43Å; R360-W363 PolarHBondContact NH1-O 2.79Å
361D92.2Very high88.3Confident149 Ų14970.9 Ų70.980%0.79739%0.389SS*.G310 helixtrans-80.1-20.2177.2-56.5-53.1000112.9S359 W363S359-D361 PolarHBondContact O-N 2.85Å; D361-W363 VanDerWaalsContact C-N 3.35Å
362D93Very high87.6Confident72 Ų7272.4 Ų72.439%0.38540%0.397SS..G310 helixtrans-87.21-178.8-72.6-46.1000112.9V358 S359 H379V358-D362 HydrophobicContact CG1-CB 3.53Å; S359-D362 WeakPolarHBondContact CB-OD2 3.45Å; S359-D362 PolarHBondContact O-N 3.39Å; D362-H379 HydrophobicContact CB-CB 4.22Å; D362-H379 PolarHBondContact O-N 2.86Å
363W93.9Very high87.1Confident6 Ų672.7 Ų72.72%0.02340%0.4CS..EExtended strand (participates in β ladder)trans-142.9149.2173.963.7-100.3000114.5M346 S349 V351 S359 R360 D361 L376 R377 V378M346-W363 HydrophobicContact CB-CH2 4.18Å; M346-W363 HydrophobicContact CB-CZ3 4.04Å; M346-W363 HydrophobicContact CE-CD2 4.34Å; M346-W363 HydrophobicContact CE-CE3 3.75Å; M346-W363 HydrophobicContact CE-CH2 3.51Å; M346-W363 HydrophobicContact CE-CZ2 4.09Å; M346-W363 HydrophobicContact CE-CZ3 3.32Å; M346-W363 HydrophobicContact CG-CZ3 4.5Å; M346-W363 WeakPolarHBondContact O-CH2 3.32Å; S349-W363 WeakPolarHBondContact O-CZ2 3.39Å; V351-W363 HydrophobicContact CB-CG 4.32Å; V351-W363 HydrophobicContact CG2-CD2 3.75Å; V351-W363 HydrophobicContact CG2-CE3 4.39Å; V351-W363 HydrophobicContact CG2-CG 3.81Å; V351-W363 HydrophobicContact CG2-CZ2 4.32Å; S359-W363 PolarHBondContact O-NE1 2.96Å; R360-W363 VanDerWaalsContact CZ-CH2 3.47Å; R360-W363 VanDerWaalsContact CZ-CZ3 3.43Å; R360-W363 PolarHBondContact NH1-O 2.79Å; D361-W363 VanDerWaalsContact C-N 3.35Å; W363-L376 HydrophobicContact CB-CD1 4.27Å; W363-L376 HydrophobicContact CD2-CD1 4.39Å; W363-L376 HydrophobicContact CE3-CD1 3.8Å; W363-R377 CarbonylContact C-O 3.55Å; W363-R377 WeakPolarHBondContact CA-O 3.34Å; W363-R377 WeakPolarHBondContact CB-O 3.44Å; W363-V378 HydrophobicContact CB-CG2 4.25Å
364F93.2Very high87Confident84 Ų8473 Ų7337%0.36840%0.402SS..EExtended strand (participates in β ladder)trans-147150.6174.967.8-89.3000112.6R377F364-R377 HydrophobicContact CD1-CB 4.15Å; F364-R377 HydrophobicContact CE1-CB 3.8Å; F364-R377 HydrophobicContact CE1-CG 4.32Å; F364-R377 HydrophobicContact CE2-CB 4.26Å; F364-R377 HydrophobicContact CE2-CG 4Å; F364-R377 HydrophobicContact CZ-CB 3.88Å; F364-R377 VanDerWaalsContact CZ-CD 3.49Å; F364-R377 HydrophobicContact CZ-CG 3.87Å; F364-R377 PolarHBondContact N-O 3.2Å; F364-R377 PolarHBondContact O-N 3.46Å
365L93.5Very high87.1Confident29 Ų2975.6 Ų75.615%0.15241%0.412CS..EExtended strand (participates in β ladder)trans-99.5133.5175.9-17074.7000109.8L341 M346 E367 L376L341-L365 HydrophobicContact CD2-CD1 3.82Å; L341-L365 HydrophobicContact CG-CD1 4.23Å; M346-L365 HydrophobicContact CG-CB 4.46Å; M346-L365 HydrophobicContact CG-CD2 4Å; L365-E367 HydrophobicContact CD2-CG 3.96Å; L365-E367 HydrophobicContact CG-CG 4.4Å; L365-L376 HydrophobicContact CD1-CB 4.03Å
366D89.8Confident87.3Confident68 Ų6868.8 Ų68.836%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-115100.6175.2-167.25.5000107.3S374 Q375 R377D366-S374 CarbonylContact O-C 3.59Å; D366-S374 WeakPolarHBondContact O-CA 2.98Å; D366-Q375 HydrophobicContact CB-CB 4.32Å; D366-Q375 PolarHBondContact N-O 3.19Å; D366-Q375 PolarHBondContact O-N 3.14Å; D366-R377 IonicContact OD2-NH2 3.86Å; D366-R377 PolarHBondContact OD2-NH2 3.14Å
367E85.6Confident87.4Confident97 Ų9767.8 Ų67.845%0.45337%0.368SS..EExtended strand (participates in β ladder)trans-77.6132.2-178.8-74.7-179.8-158.300111.1T343 L365T343-E367 WeakPolarHBondContact CB-OE1 3.24Å; T343-E367 PolarHBondContact N-OE1 3.39Å; T343-E367 PolarHBondContact OG1-OE1 3Å; L365-E367 HydrophobicContact CD2-CG 3.96Å; L365-E367 HydrophobicContact CG-CG 4.4Å
368S78.2Confident87.5Confident54 Ų5463.6 Ų63.638%0.37834%0.341SS..  trans-72.7155.1174.9-165.50000111.1Q370 L373S368-Q370 PolarHBondContact O-N 3.31Å; S368-Q370 PolarHBondContact OG-N 2.97Å; S368-L373 WeakPolarHBondContact CB-O 3.35Å; S368-L373 PolarHBondContact N-O 2.94Å
369S69.7Low87.5Confident131 Ų13166.3 Ų66.392%0.91635%0.353SS*.SBendtrans-66.1-7.4162.855.80000113.2
370Q65.8Low87.6Confident105 Ų10563.7 Ų63.749%0.49133%0.334SS..SBendtrans-92.9117.6166.3-63.7-174.9-20.500109.6S368 D372 L373S368-Q370 PolarHBondContact O-N 3.31Å; S368-Q370 PolarHBondContact OG-N 2.97Å; Q370-D372 PolarHBondContact O-N 2.92Å; Q370-L373 PolarHBondContact O-N 3.18Å; Q370-L373 VanDerWaalsContact O-N 3.13Å
371S65.5Low87.8Confident124 Ų12459.2 Ų59.287%0.86732%0.323SS*.THydrogen-bonded Turntrans-64.6-6.1-168.157.20000116.4
372D82.1Confident87.8Confident31 Ų3156.3 Ų56.317%0.16631%0.314CS..THydrogen-bonded Turntrans-105.2-1.6178.381.7-51.8000114.1R339 F340 Q370R339-D372 WeakPolarHBondContact CA-O 3.31Å; R339-D372 WeakPolarHBondContact CB-O 3.49Å; R339-D372 IonicContact CZ-OD2 2.97Å; R339-D372 IonicContact NE-OD2 3.24Å; R339-D372 PolarHBondContact NE-OD2 2.72Å; R339-D372 VanDerWaalsContact NE-OD2 3.13Å; R339-D372 IonicContact NH2-OD2 3.77Å; R339-D372 PolarHBondContact NH2-OD2 3.38Å; F340-D372 HydrophobicContact CD1-CB 4.14Å; F340-D372 HydrophobicContact CE1-CB 3.59Å; F340-D372 HydrophobicContact CZ-CB 4.17Å; F340-D372 PolarHBondContact N-O 3.05Å; F340-D372 VanDerWaalsContact N-O 3.1Å; Q370-D372 PolarHBondContact O-N 2.92Å
373L85.6Confident87.7Confident41 Ų4153.7 Ų53.722%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-131.9139.5-170-79.2166.9000113.8R339 S368 Q370R339-L373 HydrophobicContact CG-CD2 3.99Å; S368-L373 WeakPolarHBondContact CB-O 3.35Å; S368-L373 PolarHBondContact N-O 2.94Å; Q370-L373 PolarHBondContact O-N 3.18Å; Q370-L373 VanDerWaalsContact O-N 3.13Å
374S91.9Very high87.6Confident6 Ų660.7 Ų60.74%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-148.1166.9173.256.30000111.6C338 L341 D366C338-S374 PolarHBondContact N-O 3.49Å; C338-S374 PolarHBondContact O-N 3.07Å; L341-S374 WeakPolarHBondContact O-CB 3.46Å; L341-S374 PolarHBondContact O-OG 3.36Å; D366-S374 CarbonylContact O-C 3.59Å; D366-S374 WeakPolarHBondContact O-CA 2.98Å
375Q93.2Very high87.4Confident63 Ų6359.1 Ų59.129%0.29433%0.331SS..EExtended strand (participates in β ladder)trans-124.8113.9176.8-68.117563.700109.2T335 I336 Y337 D366T335-Q375 HydrophobicContact CG2-CB 4.13Å; T335-Q375 HydrophobicContact CG2-CG 4.29Å; I336-Q375 CarbonylContact O-C 3.52Å; I336-Q375 WeakPolarHBondContact O-CA 3.42Å; Y337-Q375 HydrophobicContact CD1-CG 3.85Å; Y337-Q375 HydrophobicContact CE1-CG 3.92Å; D366-Q375 HydrophobicContact CB-CB 4.32Å; D366-Q375 PolarHBondContact N-O 3.19Å; D366-Q375 PolarHBondContact O-N 3.14Å
376L95.6Very high87.4Confident0 Ų059 Ų590%034%0.338CS..EExtended strand (participates in β ladder)trans-88.9116.8170.4173.160.7000108.3I336 L341 M346 V351 W363 L365 V378 I392I336-L376 HydrophobicContact CB-CB 4.33Å; I336-L376 WeakPolarHBondContact CB-O 3.48Å; I336-L376 HydrophobicContact CD1-CD2 4.24Å; I336-L376 HydrophobicContact CD1-CG 4.46Å; I336-L376 PolarHBondContact N-O 2.86Å; I336-L376 PolarHBondContact O-N 3.35Å; L341-L376 HydrophobicContact CD2-CB 4.31Å; L341-L376 HydrophobicContact CD2-CD2 4.39Å; M346-L376 HydrophobicContact CE-CD1 4.04Å; M346-L376 HydrophobicContact CE-CD2 4.11Å; V351-L376 HydrophobicContact CG2-CD2 3.97Å; W363-L376 HydrophobicContact CB-CD1 4.27Å; W363-L376 HydrophobicContact CD2-CD1 4.39Å; W363-L376 HydrophobicContact CE3-CD1 3.8Å; L365-L376 HydrophobicContact CD1-CB 4.03Å; L376-V378 HydrophobicContact CD1-CG2 4.45Å; L376-V378 HydrophobicContact CD2-CG2 4.37Å; L376-V378 HydrophobicContact CG-CG2 3.94Å; L376-I392 HydrophobicContact CD2-CD1 3.52Å; L376-I392 HydrophobicContact CD2-CG1 3.99Å
377R95.2Very high87.6Confident69 Ų6962.6 Ų62.626%0.2635%0.346SS..EExtended strand (participates in β ladder)trans-97.6138.6173.6-52.4-152-154169.16.9110.5E333 L334 W363 F364 D366E333-R377 WeakPolarHBondContact OE1-CD 3.41Å; E333-R377 IonicContact OE1-CZ 2.76Å; E333-R377 IonicContact OE1-NE 2.74Å; E333-R377 IonicContact OE1-NH1 3.46Å; E333-R377 PolarHBondContact OE1-NH1 2.86Å; L334-R377 CarbonylContact O-C 3.57Å; L334-R377 VanDerWaalsContact O-CA 3.3Å; L334-R377 WeakPolarHBondContact O-CA 3.26Å; W363-R377 CarbonylContact C-O 3.55Å; W363-R377 WeakPolarHBondContact CA-O 3.34Å; W363-R377 WeakPolarHBondContact CB-O 3.44Å; F364-R377 HydrophobicContact CD1-CB 4.15Å; F364-R377 HydrophobicContact CE1-CB 3.8Å; F364-R377 HydrophobicContact CE1-CG 4.32Å; F364-R377 HydrophobicContact CE2-CB 4.26Å; F364-R377 HydrophobicContact CE2-CG 4Å; F364-R377 HydrophobicContact CZ-CB 3.88Å; F364-R377 VanDerWaalsContact CZ-CD 3.49Å; F364-R377 HydrophobicContact CZ-CG 3.87Å; F364-R377 PolarHBondContact N-O 3.2Å; F364-R377 PolarHBondContact O-N 3.46Å; D366-R377 IonicContact OD2-NH2 3.86Å; D366-R377 PolarHBondContact OD2-NH2 3.14Å
378V96Very high88Confident0 Ų060 Ų600%033%0.333CS..EExtended strand (participates in β ladder)trans-137.9121.8-173.1-170.90000108.9L334 I336 V351 V358 W363 L376 M380L334-V378 HydrophobicContact CB-CB 4.44Å; L334-V378 WeakPolarHBondContact CB-O 3.44Å; L334-V378 PolarHBondContact N-O 3.36Å; L334-V378 PolarHBondContact O-N 2.93Å; I336-V378 HydrophobicContact CD1-CG2 3.78Å; I336-V378 HydrophobicContact CG1-CG2 4.43Å; V351-V378 HydrophobicContact CG1-CG1 4.28Å; V351-V378 HydrophobicContact CG1-CG2 4.09Å; V358-V378 HydrophobicContact CB-CG1 4.4Å; V358-V378 HydrophobicContact CG1-CG1 3.92Å; V358-V378 HydrophobicContact CG2-CG1 4.04Å; W363-V378 HydrophobicContact CB-CG2 4.25Å; L376-V378 HydrophobicContact CD1-CG2 4.45Å; L376-V378 HydrophobicContact CD2-CG2 4.37Å; L376-V378 HydrophobicContact CG-CG2 3.94Å; V378-M380 HydrophobicContact CB-SD 4.43Å; V378-M380 HydrophobicContact CG1-SD 4.13Å; V378-M380 PolarHBondContact O-N 2.89Å
379H95Very high88.8Confident70 Ų7059.6 Ų59.632%0.32433%0.33SS..EExtended strand (participates in β ladder)trans-78.9114169.2-69.7-73.5000108.8D362D362-H379 HydrophobicContact CB-CB 4.22Å; D362-H379 PolarHBondContact O-N 2.86Å
380M94.4Very high90Very high3 Ų353.4 Ų53.42%0.01529%0.286CS..  trans-72.6124.8-171.5-62.3-57-77.700111G330 G331 T332 L334 V353 V378 I390 F406 Y408G330-M380 CarbonylContact C-O 3.55Å; G330-M380 WeakPolarHBondContact CA-O 3.47Å; G331-M380 PolarHBondContact N-O 2.77Å; T332-M380 WeakPolarHBondContact O-CB 3.42Å; T332-M380 WeakPolarHBondContact O-CG 3.45Å; T332-M380 PolarHBondContact O-N 3.39Å; L334-M380 HydrophobicContact CB-CG 3.78Å; L334-M380 HydrophobicContact CB-SD 3.72Å; L334-M380 HydrophobicContact CD2-CE 3.99Å; L334-M380 HydrophobicContact CD2-CG 4.48Å; L334-M380 HydrophobicContact CD2-SD 3.56Å; L334-M380 VanDerWaalsContact CD2-SD 3.56Å; L334-M380 HydrophobicContact CG-SD 4.24Å; V353-M380 HydrophobicContact CB-CE 4.41Å; V353-M380 HydrophobicContact CG1-CE 3.72Å; V353-M380 HydrophobicContact CG2-CE 3.74Å; V353-M380 HydrophobicContact CG2-SD 4.15Å; V378-M380 HydrophobicContact CB-SD 4.43Å; V378-M380 HydrophobicContact CG1-SD 4.13Å; V378-M380 PolarHBondContact O-N 2.89Å; M380-I390 HydrophobicContact CE-CD1 3.88Å; M380-F406 HydrophobicContact CE-CB 4.03Å; M380-F406 HydrophobicContact CE-CD1 3.58Å; M380-F406 HydrophobicContact CE-CD2 4.17Å; M380-F406 HydrophobicContact CE-CE1 3.96Å; M380-F406 HydrophobicContact CE-CG 3.67Å; M380-F406 HydrophobicContact CE-CZ 4.39Å; M380-F406 HydrophobicContact CG-CE1 4.38Å; M380-F406 HydrophobicContact CG-CE2 4.35Å; M380-F406 HydrophobicContact CG-CZ 4.09Å; M380-Y408 HydrophobicContact CB-CE1 4.43Å; M380-Y408 HydrophobicContact CE-CE2 4.34Å
381P93.6Very high91.4Very high42 Ų4249.2 Ų49.227%0.27327%0.266SS..  trans-67.4167.4179.827.1-34.4000112.5G330 L383 Y408G330-P381 VanDerWaalsContact CA-O 3.3Å; G330-P381 WeakPolarHBondContact CA-O 3.33Å; P381-L383 HydrophobicContact CG-CD1 4.16Å; P381-L383 HydrophobicContact CG-CD2 4.49Å; P381-L383 HydrophobicContact CG-CG 4.11Å; P381-L383 PolarHBondContact O-N 2.88Å; P381-Y408 WeakPolarHBondContact O-CE1 3.47Å; P381-Y408 PolarHBondContact O-OH 3.07Å; P381-Y408 VanDerWaalsContact O-OH 3.04Å
382S92.6Very high92.9Very high88 Ų8843.3 Ų43.362%0.61523%0.225SC*.  trans-76.4105.2173.357.40000110.7S328S328-S382 CarbonylContact O-C 3.38Å; S328-S382 WeakPolarHBondContact O-CA 3.43Å
383L92.2Very high93.5Very high17 Ų1744.9 Ų44.99%0.08923%0.233CC..  trans-123.4163.3-179.7-61.6-175.7000111.9S328 V353 H356 P381 Y388 Y408S328-L383 CarbonylContact C-O 3.56Å; S328-L383 VanDerWaalsContact CA-O 3.25Å; S328-L383 WeakPolarHBondContact CA-O 3.47Å; S328-L383 WeakPolarHBondContact CB-O 3.45Å; S328-L383 PolarHBondContact O-N 3.01Å; S328-L383 VanDerWaalsContact O-O 3.06Å; V353-L383 HydrophobicContact CB-CD1 4.25Å; V353-L383 HydrophobicContact CG1-CD1 3.76Å; H356-L383 HydrophobicContact CB-CD1 4.37Å; H356-L383 HydrophobicContact CB-CD2 4.2Å; H356-L383 WeakPolarHBondContact CD2-CD2 3.45Å; P381-L383 HydrophobicContact CG-CD1 4.16Å; P381-L383 HydrophobicContact CG-CD2 4.49Å; P381-L383 HydrophobicContact CG-CG 4.11Å; P381-L383 PolarHBondContact O-N 2.88Å; L383-Y388 HydrophobicContact CB-CE1 4.42Å; L383-Y388 HydrophobicContact CB-CE2 4.41Å; L383-Y388 HydrophobicContact CD1-CD1 3.85Å; L383-Y388 HydrophobicContact CD1-CE1 3.78Å; L383-Y388 HydrophobicContact CD1-CG 4.4Å; L383-Y408 HydrophobicContact CB-CD1 4.47Å; L383-Y408 HydrophobicContact CB-CD2 4.17Å; L383-Y408 HydrophobicContact CB-CE1 4.19Å; L383-Y408 HydrophobicContact CB-CE2 3.88Å; L383-Y408 HydrophobicContact CB-CG 4.43Å; L383-Y408 HydrophobicContact CD1-CE2 3.75Å; L383-Y408 HydrophobicContact CG-CE2 4.19Å
384Q90Very high93.8Very high152 Ų15243.2 Ų43.271%0.7123%0.225SC*.  trans-63.6151.5178.8-65.4-170.54.600111.5G386 Y388Q384-G386 PolarHBondContact O-N 2.84Å; Q384-Y388 WeakPolarHBondContact O-CE2 3.26Å; Q384-Y388 PolarHBondContact O-OH 2.82Å
385P90.9Very high93.7Very high51 Ų5148.3 Ų48.333%0.33126%0.255SS..SBendtrans-59.6121.8175.1-23.334.3000111.7Y408 H410P385-Y408 CarbonylContact C-O 3.55Å; P385-Y408 WeakPolarHBondContact CA-O 3.42Å; P385-H410 VanDerWaalsContact CB-ND1 3.29Å; P385-H410 WeakPolarHBondContact CB-ND1 3.37Å; P385-H410 HydrophobicContact CG-CB 4.34Å; P385-H410 WeakPolarHBondContact CG-ND1 3.39Å
386G91.9Very high93.4Very high28 Ų2850.1 Ų50.129%0.28926%0.264SS..EExtended strand (participates in β ladder)trans173-177.1-170.500000112.2Q384 T407 Y408Q384-G386 PolarHBondContact O-N 2.84Å; G386-T407 CarbonylContact O-C 3.5Å; G386-T407 WeakPolarHBondContact O-CA 3.24Å; G386-Y408 PolarHBondContact N-O 3.04Å; G386-Y408 PolarHBondContact O-N 2.95Å
387R94Very high93.1Very high142 Ų14251.9 Ų51.954%0.53627%0.271SS..EExtended strand (participates in β ladder)trans-105.8136.3170.3-59.9-164.3-167.4173.12.3109.6E405 F406 T407R387-E405 HydrophobicContact CB-CB 4.42Å; R387-E405 WeakPolarHBondContact CD-OE2 3.41Å; R387-E405 IonicContact CZ-OE2 3.43Å; R387-E405 IonicContact NE-OE2 3.16Å; R387-E405 IonicContact NH1-OE2 2.82Å; R387-E405 PolarHBondContact NH1-OE2 3.46Å; R387-F406 WeakPolarHBondContact CA-O 3.5Å; R387-T407 HydrophobicContact CG-CG2 4.42Å
388Y95.1Very high92.9Very high44 Ų4449.9 Ų49.917%0.17327%0.272CS..EExtended strand (participates in β ladder)trans-128.4127.7-177.5-70-105000108.8V353 L383 Q384 E405 F406 Y408V353-Y388 HydrophobicContact CG1-CD1 4.32Å; V353-Y388 HydrophobicContact CG1-CG 4.19Å; L383-Y388 HydrophobicContact CB-CE1 4.42Å; L383-Y388 HydrophobicContact CB-CE2 4.41Å; L383-Y388 HydrophobicContact CD1-CD1 3.85Å; L383-Y388 HydrophobicContact CD1-CE1 3.78Å; L383-Y388 HydrophobicContact CD1-CG 4.4Å; Q384-Y388 WeakPolarHBondContact O-CE2 3.26Å; Q384-Y388 PolarHBondContact O-OH 2.82Å; Y388-E405 WeakPolarHBondContact O-CA 3.46Å; Y388-F406 PolarHBondContact N-O 3.16Å; Y388-F406 PolarHBondContact O-N 2.97Å; Y388-Y408 AromaticContact CD2-CD2 3.47Å; Y388-Y408 HydrophobicContact CD2-CD2 3.47Å; Y388-Y408 VanDerWaalsContact CD2-CD2 3.47Å; Y388-Y408 AromaticContact CD2-CE2 3.88Å; Y388-Y408 HydrophobicContact CD2-CE2 3.88Å; Y388-Y408 AromaticContact CE2-CD2 3.79Å; Y388-Y408 HydrophobicContact CE2-CD2 3.79Å; Y388-Y408 HydrophobicContact CE2-CE2 4.34Å; Y388-Y408 HydrophobicContact CG-CD2 4.2Å; Y388-Y408 HydrophobicContact CG-CE2 4.16Å
389S94.3Very high92.7Very high45 Ų4556.2 Ų56.232%0.31530%0.296SS..  trans-63.4156.2164.653.20000109.8V353 G354V353-S389 CarbonylContact C-O 3.5Å; G354-S389 PolarHBondContact N-O 2.93Å
390I95.7Very high92.7Very high0 Ų053.2 Ų53.20%028%0.282CS..EExtended strand (participates in β ladder)trans-128.9130.4175-60.7-177.7000107.7L334 I336 F352 V353 M380 C402 F406L334-I390 HydrophobicContact CD2-CD1 3.26Å; I336-I390 HydrophobicContact CD1-CG2 3.72Å; F352-I390 WeakPolarHBondContact O-CA 3.41Å; V353-I390 HydrophobicContact CG2-CG1 4.37Å; M380-I390 HydrophobicContact CE-CD1 3.88Å; I390-C402 HydrophobicContact CB-CB 4.38Å; I390-C402 VanDerWaalsContact O-CB 3.25Å; I390-C402 WeakPolarHBondContact O-CB 3.38Å; I390-C402 PolarHBondContact O-N 3.48Å; I390-F406 HydrophobicContact CD1-CB 3.85Å
391Y95.2Very high92.6Very high18 Ų1857.7 Ų57.77%0.07131%0.306CS..EExtended strand (participates in β ladder)trans-143.4160.717858.4-89.3000111.5F352 G354 R399 I400F352-Y391 HydrophobicContact CB-CD1 4.12Å; F352-Y391 HydrophobicContact CB-CD2 3.85Å; F352-Y391 HydrophobicContact CB-CE1 3.74Å; F352-Y391 HydrophobicContact CB-CE2 3.46Å; F352-Y391 VanDerWaalsContact CB-CE2 3.46Å; F352-Y391 HydrophobicContact CB-CG 4.17Å; F352-Y391 HydrophobicContact CD1-CE2 4.17Å; F352-Y391 AromaticContact CD2-CD2 3.85Å; F352-Y391 HydrophobicContact CD2-CD2 3.85Å; F352-Y391 AromaticContact CD2-CE2 3.36Å; F352-Y391 HydrophobicContact CD2-CE2 3.36Å; F352-Y391 HydrophobicContact CE2-CE2 4.06Å; F352-Y391 HydrophobicContact CG-CD2 4.11Å; F352-Y391 HydrophobicContact CG-CE1 4.44Å; F352-Y391 AromaticContact CG-CE2 3.42Å; F352-Y391 HydrophobicContact CG-CE2 3.42Å; F352-Y391 VanDerWaalsContact CG-CE2 3.42Å; F352-Y391 AromaticContact CG-CZ 3.6Å; F352-Y391 PolarHBondContact N-O 3.12Å; F352-Y391 PolarHBondContact O-N 2.81Å; G354-Y391 WeakPolarHBondContact O-CE1 3.34Å; G354-Y391 PolarHBondContact O-OH 3.35Å; G354-Y391 VanDerWaalsContact O-OH 3.05Å; Y391-R399 HydrophobicContact CD2-CG 3.6Å; Y391-R399 HydrophobicContact CE2-CG 4.29Å; Y391-R399 HydrophobicContact CG-CG 3.89Å; Y391-I400 CarbonylContact C-O 3.55Å; Y391-I400 WeakPolarHBondContact CA-O 3.42Å; Y391-I400 VanDerWaalsContact CB-O 3.31Å; Y391-I400 WeakPolarHBondContact CB-O 3.43Å
392I96.2Very high92.6Very high0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-111.1126.3169.6-56.2171.2000106.2L318 L341 M346 T350 V351 L376 I400L318-I392 HydrophobicContact CD1-CD1 4Å; L318-I392 HydrophobicContact CD1-CG1 4.02Å; L318-I392 HydrophobicContact CD2-CD1 3.78Å; L318-I392 HydrophobicContact CG-CD1 4.45Å; L341-I392 HydrophobicContact CD1-CD1 3.97Å; L341-I392 HydrophobicContact CD2-CD1 3.55Å; L341-I392 HydrophobicContact CG-CD1 4.43Å; M346-I392 HydrophobicContact CE-CD1 4.35Å; M346-I392 HydrophobicContact CE-CG2 4.29Å; M346-I392 HydrophobicContact SD-CD1 3.94Å; M346-I392 HydrophobicContact SD-CG2 4Å; T350-I392 CarbonylContact O-C 3.45Å; T350-I392 WeakPolarHBondContact O-CA 3.35Å; V351-I392 HydrophobicContact CG2-CG1 4.44Å; L376-I392 HydrophobicContact CD2-CD1 3.52Å; L376-I392 HydrophobicContact CD2-CG1 3.99Å; I392-I400 HydrophobicContact CB-CB 4.36Å; I392-I400 HydrophobicContact CB-CD1 4.24Å; I392-I400 HydrophobicContact CG2-CD1 4.33Å; I392-I400 PolarHBondContact N-O 3.33Å; I392-I400 PolarHBondContact O-N 3.09Å
393D94.5Very high92.4Very high63 Ų6357 Ų5734%0.33729%0.293SS..EExtended strand (participates in β ladder)trans-91.8128.7168.1-163.45.8000108.6S349 T350 F352S349-D393 CarbonylContact C-O 3.59Å; S349-D393 WeakPolarHBondContact CA-O 3.45Å; S349-D393 WeakPolarHBondContact CB-O 3.34Å; T350-D393 PolarHBondContact N-O 3.42Å; T350-D393 PolarHBondContact O-N 3.01Å; F352-D393 HydrophobicContact CD2-CB 4.27Å; F352-D393 HydrophobicContact CE2-CB 3.78Å
394S92.4Very high92.4Very high6 Ų657 Ų574%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-139.2128.7-167.9-166.90000112.2I345 S349 E396 F397 G398I345-S394 VanDerWaalsContact CG2-OG 3.31Å; I345-S394 WeakPolarHBondContact CG2-OG 3.41Å; S349-S394 WeakPolarHBondContact OG-CA 3.21Å; S349-S394 VanDerWaalsContact OG-CB 3.29Å; S349-S394 WeakPolarHBondContact OG-CB 3.46Å; S349-S394 PolarHBondContact OG-OG 3.37Å; S394-E396 PolarHBondContact O-N 2.9Å; S394-E396 VanDerWaalsContact O-N 3.08Å; S394-F397 PolarHBondContact O-N 3.34Å; S394-G398 PolarHBondContact N-O 3.13Å; S394-G398 VanDerWaalsContact N-O 3.1Å; S394-G398 WeakPolarHBondContact O-CA 3.28Å; S394-G398 PolarHBondContact O-N 3.05Å
395V88.9Confident92.5Very high114 Ų11454.3 Ų54.369%0.69128%0.281SS*.THydrogen-bonded Turntrans-56.4-28.2-179.5179.90000113.1Q348Q348-V395 HydrophobicContact CB-CG2 3.97Å
396E87.4Confident92.7Very high100 Ų10051.9 Ų51.947%0.46727%0.265SS..THydrogen-bonded Turntrans-93.4-32.3-179.4-177.9158.6-124.700114.4K313 S394K313-E396 VanDerWaalsContact CD-OE1 3.31Å; K313-E396 WeakPolarHBondContact CD-OE1 3.31Å; K313-E396 WeakPolarHBondContact CE-OE1 3.17Å; K313-E396 IonicContact NZ-OE1 2.78Å; K313-E396 PolarHBondContact NZ-OE1 2.68Å; K313-E396 IonicContact NZ-OE2 2.6Å; K313-E396 PolarHBondContact NZ-OE2 2.86Å; S394-E396 PolarHBondContact O-N 2.9Å; S394-E396 VanDerWaalsContact O-N 3.08Å
397F89.2Confident92.8Very high37 Ų3752.6 Ų52.616%0.16226%0.264CS..THydrogen-bonded Turntrans-120.51.6-170.3-63.5-78.3000114.8K313 K315 P316 I345 S394 I400K313-F397 HydrophobicContact CB-CE1 4.42Å; K313-F397 HydrophobicContact CB-CZ 4.11Å; K313-F397 HydrophobicContact CD-CZ 4.36Å; K315-F397 HydrophobicContact CB-CD1 4.39Å; K315-F397 HydrophobicContact CG-CD1 4.06Å; P316-F397 HydrophobicContact CG-CB 4.29Å; P316-F397 HydrophobicContact CG-CD1 4.43Å; P316-F397 HydrophobicContact CG-CD2 3.74Å; P316-F397 HydrophobicContact CG-CE2 4.14Å; P316-F397 HydrophobicContact CG-CG 3.9Å; I345-F397 HydrophobicContact CD1-CD2 4.23Å; I345-F397 HydrophobicContact CD1-CE2 3.55Å; I345-F397 HydrophobicContact CD1-CZ 4.37Å; I345-F397 HydrophobicContact CG1-CD2 4.48Å; I345-F397 HydrophobicContact CG1-CE2 3.91Å; I345-F397 HydrophobicContact CG2-CD2 4.16Å; I345-F397 HydrophobicContact CG2-CE2 4.42Å; S394-F397 PolarHBondContact O-N 3.34Å; F397-I400 HydrophobicContact CB-CD1 4.22Å; F397-I400 HydrophobicContact CB-CG1 4.13Å
398G91.2Very high92.8Very high27 Ų2746.1 Ų46.128%0.27824%0.239SC..EExtended strand (participates in β ladder)trans63.3-148.1-170.600000111.8S394 I400S394-G398 PolarHBondContact N-O 3.13Å; S394-G398 VanDerWaalsContact N-O 3.1Å; S394-G398 WeakPolarHBondContact O-CA 3.28Å; S394-G398 PolarHBondContact O-N 3.05Å; G398-I400 PolarHBondContact O-N 3.03Å
399R92.5Very high92.5Very high134 Ų13448.2 Ų48.251%0.50625%0.253SS..EExtended strand (participates in β ladder)trans-75.2113.3179.6-170.2172.6-65.3166.10.1112.4Y391Y391-R399 HydrophobicContact CD2-CG 3.6Å; Y391-R399 HydrophobicContact CE2-CG 4.29Å; Y391-R399 HydrophobicContact CG-CG 3.89Å
400I94.1Very high92Very high6 Ų653.1 Ų53.13%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-97.1100.9174.9-49.5153.2000108.3P316 L318 Y391 I392 F397 G398P316-I400 HydrophobicContact CB-CD1 4.31Å; P316-I400 HydrophobicContact CG-CD1 3.49Å; P316-I400 VanDerWaalsContact CG-CD1 3.49Å; P316-I400 HydrophobicContact CG-CG1 4.06Å; P316-I400 WeakPolarHBondContact O-CG2 3.38Å; L318-I400 HydrophobicContact CD1-CG2 4.11Å; L318-I400 WeakPolarHBondContact CD1-O 3.29Å; L318-I400 HydrophobicContact CG-CG2 3.91Å; Y391-I400 CarbonylContact C-O 3.55Å; Y391-I400 WeakPolarHBondContact CA-O 3.42Å; Y391-I400 VanDerWaalsContact CB-O 3.31Å; Y391-I400 WeakPolarHBondContact CB-O 3.43Å; I392-I400 HydrophobicContact CB-CB 4.36Å; I392-I400 HydrophobicContact CB-CD1 4.24Å; I392-I400 HydrophobicContact CG2-CD1 4.33Å; I392-I400 PolarHBondContact N-O 3.33Å; I392-I400 PolarHBondContact O-N 3.09Å; F397-I400 HydrophobicContact CB-CD1 4.22Å; F397-I400 HydrophobicContact CB-CG1 4.13Å; G398-I400 PolarHBondContact O-N 3.03Å
401L93.8Very high90.5Very high98 Ų9855.4 Ų55.451%0.51329%0.286SS..EExtended strand (participates in β ladder)trans-83.2141.2-178.7-176.564.1000112.3
402C92.3Very high88.3Confident6 Ų662.3 Ų62.34%0.04133%0.325CS..BIsolated β-bridgetrans-86.8131.8167.3-171.50000111.6L318 I390 Q404L318-C402 HydrophobicContact CB-CB 3.75Å; L318-C402 HydrophobicContact CD1-CB 4.02Å; I390-C402 HydrophobicContact CB-CB 4.38Å; I390-C402 VanDerWaalsContact O-CB 3.25Å; I390-C402 WeakPolarHBondContact O-CB 3.38Å; I390-C402 PolarHBondContact O-N 3.48Å; C402-Q404 PolarHBondContact O-N 3.01Å
403N88.7Confident85.8Confident108 Ų10867.8 Ų67.858%0.57836%0.358SS*.SBendtrans-69.33.3179.7-67.2-49000114.4
404Q91.5Very high82.9Confident19 Ų1972.1 Ų72.19%0.08938%0.381CS..SBendtrans-132.1122.9-178.8-62.3-172.6-5.400110.6E122 I321 C402E122-Q404 PolarHBondContact OE1-NE2 3.05Å; E122-Q404 PolarHBondContact OE2-NE2 2.76Å; I321-Q404 HydrophobicContact CD1-CB 4.33Å; I321-Q404 HydrophobicContact CG1-CB 4.08Å; I321-Q404 HydrophobicContact CG2-CB 4.44Å; C402-Q404 PolarHBondContact O-N 3.01Å
405E93.1Very high80.1Confident95 Ų9579.2 Ų79.244%0.44442%0.418SS..  trans-75143.4173.9-53.7177.2124.900111.2I321 R387 Y388I321-E405 WeakPolarHBondContact CD1-O 3.35Å; R387-E405 HydrophobicContact CB-CB 4.42Å; R387-E405 WeakPolarHBondContact CD-OE2 3.41Å; R387-E405 IonicContact CZ-OE2 3.43Å; R387-E405 IonicContact NE-OE2 3.16Å; R387-E405 IonicContact NH1-OE2 2.82Å; R387-E405 PolarHBondContact NH1-OE2 3.46Å; Y388-E405 WeakPolarHBondContact O-CA 3.46Å
406F94.6Very high77.4Confident0 Ų082.3 Ų82.30%043%0.428CS..EExtended strand (participates in β ladder)trans-91.5136.2166.9-176.4-93.4000110.5I321 C325 T332 L334 M380 R387 Y388 I390 Y408I321-F406 HydrophobicContact CD1-CB 3.9Å; I321-F406 HydrophobicContact CD1-CD2 4.25Å; C325-F406 VanDerWaalsContact C-CE2 3.5Å; C325-F406 VanDerWaalsContact C-CZ 3.4Å; T332-F406 HydrophobicContact CG2-CE2 4.47Å; T332-F406 HydrophobicContact CG2-CZ 4.34Å; L334-F406 HydrophobicContact CD1-CD2 3.71Å; L334-F406 HydrophobicContact CD1-CE2 3.88Å; L334-F406 HydrophobicContact CD2-CD2 4.25Å; M380-F406 HydrophobicContact CE-CB 4.03Å; M380-F406 HydrophobicContact CE-CD1 3.58Å; M380-F406 HydrophobicContact CE-CD2 4.17Å; M380-F406 HydrophobicContact CE-CE1 3.96Å; M380-F406 HydrophobicContact CE-CG 3.67Å; M380-F406 HydrophobicContact CE-CZ 4.39Å; M380-F406 HydrophobicContact CG-CE1 4.38Å; M380-F406 HydrophobicContact CG-CE2 4.35Å; M380-F406 HydrophobicContact CG-CZ 4.09Å; R387-F406 WeakPolarHBondContact CA-O 3.5Å; Y388-F406 PolarHBondContact N-O 3.16Å; Y388-F406 PolarHBondContact O-N 2.97Å; I390-F406 HydrophobicContact CD1-CB 3.85Å; F406-Y408 AromaticContact CD1-CD2 3.79Å; F406-Y408 HydrophobicContact CD1-CD2 3.79Å; F406-Y408 HydrophobicContact CD1-CE1 4.44Å; F406-Y408 AromaticContact CD1-CE2 3.68Å; F406-Y408 HydrophobicContact CD1-CE2 3.68Å; F406-Y408 HydrophobicContact CD1-CG 4.25Å; F406-Y408 AromaticContact CE1-CD1 3.91Å; F406-Y408 HydrophobicContact CE1-CD1 3.91Å; F406-Y408 AromaticContact CE1-CD2 4Å; F406-Y408 HydrophobicContact CE1-CD2 4Å; F406-Y408 AromaticContact CE1-CE1 3.85Å; F406-Y408 HydrophobicContact CE1-CE1 3.85Å; F406-Y408 AromaticContact CE1-CE2 3.94Å; F406-Y408 HydrophobicContact CE1-CE2 3.94Å; F406-Y408 HydrophobicContact CE1-CG 4.02Å; F406-Y408 AromaticContact CE1-CZ 3.89Å
407T94.6Very high74.8Confident43 Ų4385.7 Ų85.726%0.26444%0.444SS..EExtended strand (participates in β ladder)trans-104.5115178.6-54.80000111.8K324 C325 G326 G386 R387 L409K324-T407 PolarHBondContact O-N 2.85Å; C325-T407 WeakPolarHBondContact CA-O 3.29Å; C325-T407 WeakPolarHBondContact CB-O 3.42Å; G326-T407 PolarHBondContact N-O 3.41Å; G326-T407 VanDerWaalsContact N-O 3.11Å; G386-T407 CarbonylContact O-C 3.5Å; G386-T407 WeakPolarHBondContact O-CA 3.24Å; R387-T407 HydrophobicContact CG-CG2 4.42Å; T407-L409 HydrophobicContact CG2-CD2 4.12Å
408Y94Very high72Confident5 Ų588 Ų882%0.0247%0.465CS..EExtended strand (participates in β ladder)trans-79.3123.7166.2-71.2-88.8000110.1G326 P327 V353 M380 P381 L383 P385 G386 Y388 F406G326-Y408 CarbonylContact O-C 3.59Å; G326-Y408 WeakPolarHBondContact O-CA 3.25Å; P327-Y408 WeakPolarHBondContact O-CD1 3.49Å; V353-Y408 HydrophobicContact CG1-CE2 3.96Å; M380-Y408 HydrophobicContact CB-CE1 4.43Å; M380-Y408 HydrophobicContact CE-CE2 4.34Å; P381-Y408 WeakPolarHBondContact O-CE1 3.47Å; P381-Y408 PolarHBondContact O-OH 3.07Å; P381-Y408 VanDerWaalsContact O-OH 3.04Å; L383-Y408 HydrophobicContact CB-CD1 4.47Å; L383-Y408 HydrophobicContact CB-CD2 4.17Å; L383-Y408 HydrophobicContact CB-CE1 4.19Å; L383-Y408 HydrophobicContact CB-CE2 3.88Å; L383-Y408 HydrophobicContact CB-CG 4.43Å; L383-Y408 HydrophobicContact CD1-CE2 3.75Å; L383-Y408 HydrophobicContact CG-CE2 4.19Å; P385-Y408 CarbonylContact C-O 3.55Å; P385-Y408 WeakPolarHBondContact CA-O 3.42Å; G386-Y408 PolarHBondContact N-O 3.04Å; G386-Y408 PolarHBondContact O-N 2.95Å; Y388-Y408 AromaticContact CD2-CD2 3.47Å; Y388-Y408 HydrophobicContact CD2-CD2 3.47Å; Y388-Y408 VanDerWaalsContact CD2-CD2 3.47Å; Y388-Y408 AromaticContact CD2-CE2 3.88Å; Y388-Y408 HydrophobicContact CD2-CE2 3.88Å; Y388-Y408 AromaticContact CE2-CD2 3.79Å; Y388-Y408 HydrophobicContact CE2-CD2 3.79Å; Y388-Y408 HydrophobicContact CE2-CE2 4.34Å; Y388-Y408 HydrophobicContact CG-CD2 4.2Å; Y388-Y408 HydrophobicContact CG-CE2 4.16Å; F406-Y408 AromaticContact CD1-CD2 3.79Å; F406-Y408 HydrophobicContact CD1-CD2 3.79Å; F406-Y408 HydrophobicContact CD1-CE1 4.44Å; F406-Y408 AromaticContact CD1-CE2 3.68Å; F406-Y408 HydrophobicContact CD1-CE2 3.68Å; F406-Y408 HydrophobicContact CD1-CG 4.25Å; F406-Y408 AromaticContact CE1-CD1 3.91Å; F406-Y408 HydrophobicContact CE1-CD1 3.91Å; F406-Y408 AromaticContact CE1-CD2 4Å; F406-Y408 HydrophobicContact CE1-CD2 4Å; F406-Y408 AromaticContact CE1-CE1 3.85Å; F406-Y408 HydrophobicContact CE1-CE1 3.85Å; F406-Y408 AromaticContact CE1-CE2 3.94Å; F406-Y408 HydrophobicContact CE1-CE2 3.94Å; F406-Y408 HydrophobicContact CE1-CG 4.02Å; F406-Y408 AromaticContact CE1-CZ 3.89Å
409L89.3Confident69Low88 Ų8893 Ų9346%0.46149%0.493SS..EExtended strand (participates in β ladder)trans-91.6150.7176.5-57.1176.1000110C325 G326 S328 T407 S411C325-L409 HydrophobicContact CB-CD1 4.35Å; C325-L409 HydrophobicContact CB-CG 4.34Å; G326-L409 PolarHBondContact O-N 2.85Å; S328-L409 WeakPolarHBondContact CB-O 3.06Å; S328-L409 PolarHBondContact N-O 3.02Å; S328-L409 PolarHBondContact OG-O 2.8Å; T407-L409 HydrophobicContact CG2-CD2 4.12Å; L409-S411 PolarHBondContact O-N 2.91Å
410H82.8Confident66.4Low148 Ų14892 Ų9269%0.68550%0.501SS*.PPolyproline II helixtrans-56.3123.5170.5-90.277.1000110.4P385 D412P385-H410 VanDerWaalsContact CB-ND1 3.29Å; P385-H410 WeakPolarHBondContact CB-ND1 3.37Å; P385-H410 HydrophobicContact CG-CB 4.34Å; P385-H410 WeakPolarHBondContact CG-ND1 3.39Å; H410-D412 PolarHBondContact O-N 2.9Å
411S64.6Low63.4Low48 Ų48102.7 Ų102.734%0.33654%0.541SS..  trans-76.7105.4168.955.30000109.8S328 L409 V413S328-S411 WeakPolarHBondContact OG-CB 3.4Å; S328-S411 PolarHBondContact OG-N 2.87Å; S328-S411 PolarHBondContact OG-OG 2.78Å; L409-S411 PolarHBondContact O-N 2.91Å; S411-V413 PolarHBondContact O-N 2.96Å
412D49.2Very low60.6Low164 Ų164105.4 Ų105.488%0.87756%0.556SS**  trans-69.159.3174.8-74.2-31.3000112.3H410H410-D412 PolarHBondContact O-N 2.9Å
413V42.4Very low58Low115 Ų115113 Ų11370%0.69760%0.596SS**  trans-111.558.7-177.1-170.70000109.5S411S411-V413 PolarHBondContact O-N 2.96Å
414N33.8Very low55.2Low154 Ų154112.5 Ų112.582%0.82461%0.607SS**  trans-17496157-98.7-36000111.3
415L34.5Very low52.6Low154 Ų154118.5 Ų118.581%0.80664%0.644SS**  trans-178.663.9130.5-118.574.4000112Q417L415-Q417 VanDerWaalsContact C-N 3.33Å
416I31.3Very low49.8Very low179 Ų179118.8 Ų118.892%0.91866%0.656SS**  trans-102.658.4156.3-48.8-177.1000108.3
417Q32.9Very low46.8Very low172 Ų172123.4 Ų123.480%0.80469%0.689SS**  trans-92.2120.2158.6-79.6-174.9-21.800107.7L415L415-Q417 VanDerWaalsContact C-N 3.33Å
418S30.2Very low44.1Very low86 Ų86128.4 Ų128.460%0.60171%0.711SS**  trans-63150.2174.847.40000110.6T420S418-T420 PolarHBondContact O-N 2.91Å
419P29.3Very low41.4Very low132 Ų132134.8 Ų134.886%0.85775%0.746SS**  trans-77.167.5-174.231.9-36.9000112.4R421P419-R421 PolarHBondContact O-N 3.35Å
420T37.3Very low38.8Very low111 Ų111139.1 Ų139.168%0.68176%0.763SS**  trans-75.5103.617044.80000110.1S418 N422S418-T420 PolarHBondContact O-N 2.91Å; T420-N422 PolarHBondContact O-N 2.98Å
421R32.1Very low36.7Very low232 Ų232136.4 Ų136.488%0.87576%0.759SS**  trans-57.3118.8170.9-60.5170176.5136.7-6.9110.2P419P419-R421 PolarHBondContact O-N 3.35Å
422N34.7Very low35.3Very low155 Ų155139.8 Ų139.883%0.82978%0.778SS**  trans-10499.9158.7-75.8-8.9000108.6T420T420-N422 PolarHBondContact O-N 2.98Å
423L36.6Very low34.4Very low166 Ų166138.5 Ų138.587%0.86977%0.771SS**  trans-68.2143.3159.4-83.3157.5000108.2
424A30.8Very low34.2Very low97 Ų97141.6 Ų141.680%0.80278%0.775SS**  trans-71.6144.5176.700000111.6
425V37.6Very low34Very low144 Ų144141.6 Ų141.687%0.87377%0.773SS**  trans-160.7155.2136.9134.60000108.4
426S33.7Very low34.1Very low101 Ų101142 Ų14271%0.70678%0.775SS**  trans-73.6149.9-169.953.70000115.6
427S31.9Very low34Very low98 Ų98140.4 Ų140.469%0.68577%0.768SS**  trans45122.6138.6-158.10000120.1
428M37.2Very low34.2Very low147 Ų147140.2 Ų140.272%0.72477%0.771SS**  169.4122.6110.6-85.8-63.1-80.700110.9
429N38.3Very low34.3Very low140 Ų140142.5 Ų142.575%0.74978%0.781SS**  trans47.8131.9149.7-58.55.3000123.2
430E34.4Very low34.8Very low178 Ų178141.9 Ų141.983%0.83278%0.777SS**  trans-50.5172.2155.6-89.6-158.310200116.4
431P38.5Very low34.7Very low91 Ų91145.6 Ų145.659%0.59178%0.784SS**  cis-140.6-171.3-3534.4-13.7000114.2
432T33.6Very low34.7Very low119 Ų119139.8 Ų139.873%0.7377%0.774SS**  trans92.5126.5157.478.70000121.9
433N32.3Very low34.5Very low137 Ų137138.8 Ų138.873%0.73377%0.769SS**  trans80.3128.5135.6-84.5-45.8000123.2
434K36.2Very low34.4Very low180 Ų180137.1 Ų137.178%0.78377%0.766SS**  trans77.487.1150.6-64.2168.2-175.4174.70119.1
435I31.2Very low34.5Very low155 Ų155137.2 Ų137.280%0.79576%0.761SS**  28.9118.3116.9-52.1168000116.6
436I35.2Very low34.6Very low162 Ų162136.1 Ų136.183%0.83175%0.754SS**  -164.3141.1128.2-100151.2000109.2
437N30.3Very low34.6Very low146 Ų146139.7 Ų139.778%0.78176%0.76SS**  trans-84.4155.7175.3-64.5-39.4000111.2
438I36.7Very low34.9Very low168 Ų168143.9 Ų143.986%0.86277%0.768SS**  trans-171152.1130.7-98.5151.3000111
439T33.2Very low35Very low133 Ų133142.4 Ų142.482%0.81677%0.768SS**  trans-92.9166.2-168.426.60000114.8
440P38Very low34.7Very low119 Ų119143 Ų14377%0.77377%0.771SS**  trans-100.6179.8-155.840.4-39.4000115.4
441K35.5Very low34.7Very low190 Ų190139.4 Ų139.483%0.82677%0.765SS**  trans-159.9132.5164-112.3161.5-172.5174.90114.1
442T32.1Very low34.6Very low110 Ų110140.7 Ų140.768%0.67578%0.777SS**  trans35.7143133.959.10000120.9
443N31.7Very low34.8Very low133 Ų133141.1 Ų141.171%0.71178%0.779SS**  cis-172.4166.16.3-109.3-2.6000110.5
444T35Very low35.1Very low131 Ų131140.1 Ų140.180%0.80478%0.777SS**  trans60.2154.815444.90000118.7
445S32.8Very low34.7Very low100 Ų100140.9 Ų140.970%0.69978%0.781SS**  cis-175.7142.7-20.448.20000106.2
446V38.3Very low34.9Very low120 Ų120140.5 Ų140.573%0.72778%0.78SS**  177.8159.183.8162.40000107.5
447E35Very low35.1Very low177 Ų177144.2 Ų144.283%0.82778%0.784SS**  trans0.3144.6162.9-65.7162.7-154.400120.2
448E37.8Very low35.4Very low186 Ų186146 Ų14687%0.86979%0.79SS**  -145.2172.870.7-81.9-176.215800117.1
449T38.1Very low35.2Very low116 Ų116141.4 Ų141.471%0.71278%0.784SS**  trans-52.5162.6171.739.60000115.9
450D33.3Very low35.5Very low152 Ų152139.9 Ų139.981%0.81378%0.779SS**  cis-1541475.3-130.1-31.9000110.7
451S35Very low35.7Very low102 Ų102143.5 Ų143.571%0.71379%0.785SS**  trans-157.6116.2167.257.30000114.4V453S451-V453 PolarHBondContact O-N 2.94Å
452S34.8Very low35.8Very low119 Ų119143.4 Ų143.483%0.83278%0.78SS**  trans-95.961.2-173.7490000113.6V454S452-V454 PolarHBondContact O-N 2.9Å
453V37.9Very low36.2Very low127 Ų127143.4 Ų143.477%0.7779%0.785SS**  trans-75.2117.1176.7-177.10000111.1S451S451-V453 PolarHBondContact O-N 2.94Å
454V38Very low36.6Very low117 Ų117144.7 Ų144.771%0.70979%0.791SS**  trans-75.5130.3-177.4177.20000111.8S452 N456S452-V454 PolarHBondContact O-N 2.9Å; V454-N456 PolarHBondContact O-N 3.45Å
455F29.4Very low36.7Very low196 Ų196143.7 Ų143.786%0.8678%0.78SS**  trans-70.290.3177.3-87.8-92.2000113.2R457F455-R457 PolarHBondContact O-N 3.25Å
456N35.2Very low37.2Very low146 Ų146144.8 Ų144.878%0.78178%0.783SS**  trans-83.7101.2164-80.4-23.4000110.9V454 M458V454-N456 PolarHBondContact O-N 3.45Å; N456-M458 PolarHBondContact O-N 2.75Å; N456-M458 VanDerWaalsContact O-N 3.14Å
457R38.7Very low37.3Very low240 Ų240146.8 Ų146.891%0.90679%0.788SS**  trans-72.999.1172.3-76.9-175.5172.3-171.1-1.8110.9F455 G459F455-R457 PolarHBondContact O-N 3.25Å; R457-G459 PolarHBondContact O-N 2.78Å; R457-G459 VanDerWaalsContact O-N 3.14Å
458M36.3Very low37.7Very low185 Ų185142.9 Ų142.991%0.91178%0.776SS**  trans-71.3102.8164.5-73172.863.400109.8N456N456-M458 PolarHBondContact O-N 2.75Å; N456-M458 VanDerWaalsContact O-N 3.14Å
459G33.9Very low37.8Very low71 Ų71139.8 Ų139.873%0.73277%0.766SS**  trans-76.8122.6177.600000111.8R457 Q461R457-G459 PolarHBondContact O-N 2.78Å; R457-G459 VanDerWaalsContact O-N 3.14Å; G459-Q461 PolarHBondContact O-N 3.21Å
460S39.6Very low38Very low101 Ų101144.6 Ų144.671%0.70677%0.771SS**  trans-39125.8176.1155.40000113.3R462S460-R462 PolarHBondContact O-N 2.92Å
461Q40.4Very low38.4Very low195 Ų195148 Ų14891%0.91177%0.773SS**  trans-59.8128.9159.2-65.6-177.31.800107.9G459G459-Q461 PolarHBondContact O-N 3.21Å
462R38.5Very low38.5Very low187 Ų187149 Ų14971%0.70678%0.78SS**  trans-106.8134178-60.2-173.374.6-175.33.6109.1S460S460-R462 PolarHBondContact O-N 2.92Å
463S39.8Very low38.7Very low111 Ų111146.6 Ų146.678%0.77677%0.773SS**  trans-58.2162168.448.10000111.7L465S463-L465 PolarHBondContact O-N 2.91Å
464N40.7Very low38.7Very low160 Ų160152.2 Ų152.286%0.85678%0.781SS**  trans-49.6107.5-178-69-33000111.8V466N464-V466 PolarHBondContact O-N 2.91Å
465L37.5Very low38.7Very low109 Ų109154.4 Ų154.457%0.57178%0.776SS**  trans-70.796.8174.8-83.8167.4000109.3S463 L467S463-L465 PolarHBondContact O-N 2.91Å; L465-L467 VanDerWaalsContact C-N 3.33Å; L465-L467 PolarHBondContact O-N 2.84Å
466V42.2Very low39.3Very low123 Ų123151.3 Ų151.375%0.74577%0.765SS**  trans-61.798.8163.7-177.30000107.5N464 V468N464-V466 PolarHBondContact O-N 2.91Å; V466-V468 HydrophobicContact CG1-CG2 3.93Å; V466-V468 PolarHBondContact O-N 3.09Å
467L41Very low39.5Very low162 Ų162156 Ų15685%0.84877%0.771SS**  trans-72.876.7174.7-73.4173.9000109.8L465 D469L465-L467 VanDerWaalsContact C-N 3.33Å; L465-L467 PolarHBondContact O-N 2.84Å; L467-D469 PolarHBondContact O-N 2.97Å; L467-D469 VanDerWaalsContact O-N 3.16Å
468V43.2Very low39.4Very low95 Ų95149.7 Ų149.758%0.57676%0.764SS**  trans-63.1110.1163.8-1770000107.4V466 R470V466-V468 HydrophobicContact CG1-CG2 3.93Å; V466-V468 PolarHBondContact O-N 3.09Å; V468-R470 HydrophobicContact CG1-CG 4.04Å; V468-R470 PolarHBondContact O-N 3.05Å
469D41Very low39.5Very low122 Ų122152.9 Ų152.965%0.65277%0.766SS**  trans-65109.7173.1-171.7-7.7000109.1L467 R471L467-D469 PolarHBondContact O-N 2.97Å; L467-D469 VanDerWaalsContact O-N 3.16Å; D469-R471 WeakPolarHBondContact OD1-CB 3.43Å; D469-R471 WeakPolarHBondContact OD1-CG 3.46Å; D469-R471 PolarHBondContact OD1-N 2.79Å
470R41.9Very low39.6Very low217 Ų217154.9 Ų154.982%0.81977%0.766SS**  trans-102.636.1179.9-73-175.1171.8176-1.9112.2V468 S472V468-R470 HydrophobicContact CG1-CG 4.04Å; V468-R470 PolarHBondContact O-N 3.05Å; R470-S472 PolarHBondContact O-N 2.86Å
471R40.7Very low39.5Very low224 Ų224159.7 Ų159.785%0.84578%0.777SS**  trans-67.765167-77.9172.8177.1-120.8-3.4112.6D469 G473D469-R471 WeakPolarHBondContact OD1-CB 3.43Å; D469-R471 WeakPolarHBondContact OD1-CG 3.46Å; D469-R471 PolarHBondContact OD1-N 2.79Å; R471-G473 PolarHBondContact O-N 3.02Å
472S36.8Very low39.5Very low123 Ų123155 Ų15586%0.8677%0.772SS**  trans-60.3124.8168.3173.30000110.7R470R470-S472 PolarHBondContact O-N 2.86Å
473G39Very low39.5Very low68 Ų68154.5 Ų154.570%0.70178%0.782SS**  trans-129.14.7-157.900000118.6R471R471-G473 PolarHBondContact O-N 3.02Å
474R38.5Very low39.3Very low245 Ų245152.5 Ų152.593%0.92578%0.779SS**  trans74.7150.3170.9-161.9-177.9-173.1176.63.3117
475R39.1Very low39Very low162 Ų162156.1 Ų156.161%0.61178%0.781SS**  trans71.9136.1-177.3-90.3-177.9172.1159.2-7.7113.8T202T202-R475 PolarHBondContact O-NH1 3.03Å; T202-R475 VanDerWaalsContact O-NH1 3.15Å
476E41.3Very low39Very low132 Ų132156.2 Ų156.262%0.61779%0.791SS**  cis-120.7164.84.4-62.7-161.6124.400113.7K203K203-E476 IonicContact NZ-OE1 3.36Å; K203-E476 PolarHBondContact NZ-OE1 3.06Å; K203-E476 IonicContact NZ-OE2 2.73Å; K203-E476 PolarHBondContact NZ-OE2 2.92Å
477R40.1Very low38.6Very low243 Ų243157.5 Ų157.592%0.91779%0.793SS**  trans-94.4170169.4-45.7171.2168.4163.6-8.6107.3
478S36.3Very low38.4Very low109 Ų109154.9 Ų154.976%0.76279%0.789SS**  cis-170.6137.217.737.70000110.9
479R37.8Very low38Very low252 Ų252158.1 Ų158.195%0.95180%0.802SS**  trans-167.3120.6139.7-155.2169.1-172.5150.91.4112
480P36.3Very low37.6Very low112 Ų112157.1 Ų157.173%0.72780%0.804SS**  trans-131.4131.9167.836.4-22000113.6
481E38.3Very low37.3Very low202 Ų202152.2 Ų152.294%0.94480%0.803SS**  trans179.7145.4161.1-106.1164.1-169.700107.3
482A38.8Very low37Very low96 Ų96146 Ų14679%0.79379%0.794SS**  cis-148.5179.5-5.100000111.8
483L38.3Very low37Very low178 Ų178147 Ų14793%0.93279%0.788SS**  trans-66.1162.7-179.2-66.9142.6000113.4
484G36.4Very low37Very low69 Ų69151.8 Ų151.871%0.71180%0.797SS**  cis172.8-143.31.100000115.4
485R35.2Very low36.8Very low236 Ų236143.6 Ų143.689%0.89179%0.789SS**  trans-73.6171.1-178.2-61.5175.3174.4168.4-5.5111.1
486S37Very low36.6Very low111 Ų111139.7 Ų139.778%0.77680%0.799SS**  cis-157.7-178.933.5-50.90000113.9
487D33.6Very low36.3Very low150 Ų150139 Ų13980%0.80281%0.809SS**  trans-76.1179.7-173.1-45.9-96.6000116.6
488S36.3Very low36.2Very low107 Ų107132.7 Ų132.775%0.74880%0.802SS**  trans94.8100.4152.5730000120.7
489L36.4Very low36.4Very low163 Ų163135.8 Ų135.885%0.85380%0.801SS**  56.1119.2124.8-62.7176.1000122.1
490S32Very low36.4Very low101 Ų101132.2 Ų132.271%0.70680%0.798SS**  84.1126.5127.474.10000121.2
491S35.3Very low36.4Very low114 Ų114130 Ų13080%0.79780%0.795SS**  trans67.7150.2159.577.30000117.7
492S35.1Very low36.4Very low92 Ų92126.4 Ų126.464%0.64379%0.788SS**  cis-168.4169.6-27.355.40000109.8
493I36.6Very low36.6Very low144 Ų144128.6 Ų128.674%0.73879%0.785SS**  trans72.4122.8149-79.2164.1000118.4
494L37.9Very low36.6Very low169 Ų169125.9 Ų125.989%0.88577%0.771SS**  trans40137.4152.1-78.961.9000119.7
495G34.2Very low36.9Very low73 Ų73129.4 Ų129.475%0.75377%0.768SS**  cis152.1156.520.300000111.5
496G35.5Very low37.1Very low81 Ų81123.5 Ų123.584%0.83576%0.755SS**  trans75.8159.9175.100000116.8
497S35.2Very low37.2Very low118 Ų118126.8 Ų126.883%0.82576%0.755SS**  cis173.8155.5-22.8-1770000107.4
498S37.4Very low37.5Very low109 Ų109125.3 Ų125.376%0.76275%0.751SS**  trans77.4146.2158-160.80000118.1
499K40.2Very low37.6Very low174 Ų174126.7 Ų126.776%0.75775%0.75SS**  cis-176.1162.7-26.6-165.7177.5-178.8179.80109.8
500M37.7Very low37.5Very low177 Ų177123.8 Ų123.887%0.87274%0.739SS**  trans72.2147.4169.7-48.3-169.6-67.700115.2
501G36.3Very low37.7Very low66 Ų66124.7 Ų124.768%0.6874%0.736SS**  cis-164.2-172.2-5.600000108.6
502T39.7Very low37.7Very low127 Ų127126.8 Ų126.878%0.77973%0.731SS**  cis-172.3161.9-0.5-5.90000109.1
503I41.1Very low37.7Very low142 Ų142129 Ų12973%0.72873%0.731SS**  trans69.1127.8155.1-68.8159.8000116.9
504N40.3Very low37.7Very low120 Ų120128 Ų12864%0.64273%0.727SS**  cis-154.8-150-8.6-99.4-1.8000106.8
505H40.9Very low37.4Very low143 Ų143126.7 Ų126.766%0.66272%0.721SS**  cis-156.2154.93.9-112.6-66.7000110.4
506D39.9Very low37.3Very low113 Ų113134.2 Ų134.260%0.60473%0.727SS**  trans17.7140.5135.5-56.5-17.9000121.5
507K38.7Very low37Very low179 Ų179135.8 Ų135.878%0.77872%0.72SS**  cis-147.4147.44.7-95.6140.5-176.5175.90107.9
508V40.1Very low36.9Very low119 Ų119139.4 Ų139.472%0.72172%0.721SS**  cis92.4141.343.6172.30000113.4
509D37.8Very low36.5Very low137 Ų137140.8 Ų140.873%0.73372%0.72SS**  trans85.7141.1174.3-70.2-43.4000121.7
510T35.8Very low36.2Very low101 Ų101138.4 Ų138.462%0.6272%0.72SS**  cis-171.8171.3-49.629.70000111.1
511N36Very low36Very low120 Ų120137.4 Ų137.464%0.64271%0.713SS**  trans81.9117.6156.3-64-52.8000119
512K35.4Very low35.7Very low158 Ų158141 Ų14169%0.68772%0.715SS**  85.8156.191.1-75.4174171.8-127.30113.4
513H35.5Very low35.4Very low139 Ų139142.1 Ų142.164%0.64472%0.717SS**  cis-163.6159.9-3.4-106.5-40.6000105.6
514D36.6Very low35Very low124 Ų124141.3 Ų141.366%0.66372%0.718SS**  cis-160.2-161.5-15-150.881.9000109.9
515N30.9Very low34.8Very low141 Ų141141.5 Ų141.575%0.75473%0.726SS**  trans-84152.4-175.8-55.5-89.7000115.2
516R32.1Very low34.3Very low231 Ų231139.9 Ų139.987%0.87273%0.73SS**  -167.9147.4121.5-129.4174.3-177.6137.43.4116.1
517T28.2Very low34.1Very low114 Ų114144.4 Ų144.470%0.69975%0.745SS**  trans-98.3146.7174.7-45.50000111.9
518F33.9Very low33.7Very low193 Ų193144.7 Ų144.785%0.84675%0.749SS**  trans-147.8137.7151.4-91.6-74.5000111.4
519N28.7Very low33.5Very low139 Ų139147.6 Ų147.674%0.74376%0.76SS**  trans-90.4161.8168.2-72.3-22.7000110.2
520T34.8Very low33.1Very low124 Ų124145.9 Ų145.976%0.76176%0.758SS**  -177.3140.112131.80000113.6
521H33Very low33Very low156 Ų156145.5 Ų145.572%0.72276%0.759SS**  trans44.7113.8147.8-59-55.5000121.1
522I30.3Very low32.9Very low140 Ų140148.8 Ų148.872%0.71877%0.771SS**  71.4109.979.3-66.6176.1000113.8
523N32.5Very low32.6Very low152 Ų152144.4 Ų144.481%0.81377%0.771SS**  -166.4152.9117-114.6-24.1000113
524V33.3Very low32.5Very low124 Ų124147.3 Ų147.375%0.75278%0.782SS**  trans-142.3142.1171.8-179.80000107.3
525P37Very low32.4Very low124 Ų124146.9 Ų146.981%0.80579%0.786SS**  trans-139.9136.4133.835.1-22000113.6
526S29.6Very low32.5Very low109 Ų109150.9 Ų150.976%0.76279%0.792SS**  trans-71.9156.7165.6-43.50000111.2
527K36.5Very low32.5Very low209 Ų209146.5 Ų146.591%0.90979%0.785SS**  trans-152.3127151.2-117.1175.1-175.1-178.60111.5
528E29.2Very low32.8Very low184 Ų184148.3 Ų148.386%0.8679%0.791SS**  trans-78.1159167.1-55.6162.812600109.6
529L36Very low32.8Very low181 Ų181144.1 Ų144.195%0.94878%0.781SS**  trans-164.6163135.5-108.5167.2000110.4
530S28.8Very low33.2Very low100 Ų100144.2 Ų144.270%0.69978%0.781SS**  trans-130.4163.9-165.6177.50000112.2
531S34.5Very low33.4Very low93 Ų93145.6 Ų145.665%0.6578%0.784SS**  trans103141.5145.883.20000120.1
532Q34Very low33.4Very low190 Ų190145.6 Ų145.689%0.88879%0.79SS**  trans66.8148.7163.6-45.8-168.417.100117.6
533G29.7Very low33.8Very low66 Ų66144.4 Ų144.468%0.6879%0.789SS**  cis153.3150.1-12.200000114.7
534K33.4Very low34Very low200 Ų200143.7 Ų143.787%0.8779%0.785SS**  trans94.3137.5172.4-59.3-177.9175.9-177.80118.4
535P33.5Very low34Very low115 Ų115146.3 Ų146.375%0.74779%0.786SS**  trans-94.9178.9167.440.4-35.3000112
536Y34.1Very low33.7Very low224 Ų224146.8 Ų146.888%0.87878%0.782SS**  trans-134.8133165.9-93.5-90.9000111.2
537N30.5Very low33.9Very low139 Ų139150 Ų15074%0.74378%0.782SS**  trans-93.7157.7164.3-66.5-10.4000109.4
538N35.1Very low33.8Very low153 Ų153149.3 Ų149.382%0.81878%0.775SS**  trans164154.1141.8-88.50.2000110.3
539V34.6Very low33.8Very low104 Ų104149.4 Ų149.463%0.6378%0.776SS**  cis-176.5159.3-31.8116.90000107
540D36.7Very low33.8Very low141 Ų141146 Ų14675%0.75476%0.763SS**  trans64.6155.5177.5-54-30.3000116.2
541D39.1Very low33.8Very low154 Ų154148.3 Ų148.382%0.82477%0.767SS**  cis-133.616211.4-112.5-46.7000112.5
542D33.6Very low34Very low156 Ų156152.2 Ų152.283%0.83478%0.775SS**  trans-129.8114.5-174.417924.2000112.5
543V39Very low34Very low115 Ų115151.9 Ų151.970%0.69777%0.771SS**  trans-145.8117.1-177.7-175.40000114
544N35.6Very low34.1Very low137 Ų137154.6 Ų154.673%0.73378%0.776SS**  trans47.3118.6161.9-64.4-33.8000119.4
545K33.9Very low33.9Very low179 Ų179151 Ų15178%0.77877%0.771SS**  cis75.4119.249-66.1-173174.1174.90116.6
546N30.8Very low33.6Very low134 Ų134151.7 Ų151.772%0.71777%0.773SS**  trans68.8118.2152.8-53.51.6000117.8
547F32.9Very low33.4Very low175 Ų175146 Ų14677%0.76876%0.761SS**  -173158.497.7-107.7-76.4000112.5
548Y35.1Very low33.3Very low195 Ų195147.5 Ų147.577%0.76576%0.764SS**  trans63.474.1169.7-63.8-66.9000120.2
549E29.3Very low33Very low187 Ų187146.6 Ų146.687%0.87476%0.758SS**  -38.8136.1130179.4172.4-126.800113.6
550T34.9Very low32.7Very low110 Ų110145.8 Ų145.868%0.67576%0.756SS**  trans-146123.5170.8-46.10000110.5H552T550-H552 PolarHBondContact O-N 2.98Å
551D30.4Very low32.4Very low148 Ų148144 Ų14479%0.79175%0.751SS**  trans-72.8122.9-178.2-82.7-53.1000113.4
552H37.6Very low31.9Very low175 Ų175146.5 Ų146.581%0.8175%0.75SS**  trans-115.2102.6164.7-73.4-14.9000110.5T550T550-H552 PolarHBondContact O-N 2.98Å
553K35Very low31.8Very low183 Ų183146.1 Ų146.180%0.79675%0.746SS**  trans-57.1146.4176.2-67.4171.9-179.7168.70110.7V555K553-V555 PolarHBondContact O-N 3.07Å; K553-V555 VanDerWaalsContact O-N 3.12Å
554P30.9Very low31.5Very low122 Ų122148 Ų14879%0.79275%0.752SS**  trans-63116.5174.626.7-33.9000110.2T556P554-T556 PolarHBondContact O-N 3.45Å
555V30Very low31.2Very low126 Ų126146.6 Ų146.676%0.76475%0.75SS**  trans-81.1104.2170.9179.20000108.1K553 V557K553-V555 PolarHBondContact O-N 3.07Å; K553-V555 VanDerWaalsContact O-N 3.12Å; V555-V557 HydrophobicContact CG1-CG2 4.06Å; V555-V557 PolarHBondContact O-N 3.04Å
556T27.6Very low31.2Very low128 Ų128142.9 Ų142.979%0.78575%0.747SS**  trans-70.295.8173.9-49.60000109.7P554 E558P554-T556 PolarHBondContact O-N 3.45Å; T556-E558 PolarHBondContact O-N 3.07Å
557V29.4Very low31.5Very low106 Ų106142 Ų14264%0.64275%0.748SS**  trans-82.9106.1173.3-176.70000109.1V555 I559V555-V557 HydrophobicContact CG1-CG2 4.06Å; V555-V557 PolarHBondContact O-N 3.04Å; V557-I559 VanDerWaalsContact C-N 3.35Å; V557-I559 HydrophobicContact CG1-CG1 3.95Å; V557-I559 PolarHBondContact O-N 3.04Å
558E27.5Very low31.6Very low170 Ų170140.1 Ų140.179%0.79475%0.745SS**  trans-70.889.9168.6-72-164.314900110.3T556 S560T556-E558 PolarHBondContact O-N 3.07Å; E558-S560 VanDerWaalsContact C-N 3.25Å; E558-S560 PolarHBondContact O-N 3.48Å
559I29.5Very low31.5Very low134 Ų134137.5 Ų137.569%0.68774%0.739SS**  trans-70.886.1171.5-54.9179.1000108.5V557 T561V557-I559 VanDerWaalsContact C-N 3.35Å; V557-I559 HydrophobicContact CG1-CG1 3.95Å; V557-I559 PolarHBondContact O-N 3.04Å; I559-T561 PolarHBondContact O-N 3.01Å; I559-T561 PolarHBondContact O-OG1 3.32Å
560S27.2Very low31.4Very low86 Ų86137.8 Ų137.860%0.60174%0.738SS**  trans-62.585.8169.9-76.70000109.9E558 Y562E558-S560 VanDerWaalsContact C-N 3.25Å; E558-S560 PolarHBondContact O-N 3.48Å; S560-Y562 WeakPolarHBondContact O-CD2 3.39Å; S560-Y562 PolarHBondContact O-N 3.48Å
561T31.1Very low31.2Very low104 Ų104139.2 Ų139.264%0.63874%0.741SS**  trans-75.290.3-176.5-57.80000108.6I559 I563I559-T561 PolarHBondContact O-N 3.01Å; I559-T561 PolarHBondContact O-OG1 3.32Å; T561-I563 HydrophobicContact CG2-CG1 4.11Å; T561-I563 PolarHBondContact O-N 3.47Å
562Y28.6Very low31.4Very low206 Ų206144 Ų14481%0.80875%0.748SS**  trans-67.284.7171.4-80.3-82.8000109.9S560 L564S560-Y562 WeakPolarHBondContact O-CD2 3.39Å; S560-Y562 PolarHBondContact O-N 3.48Å; Y562-L564 VanDerWaalsContact C-N 3.34Å; Y562-L564 PolarHBondContact O-N 2.91Å
563I31.5Very low31.1Very low148 Ų148141.6 Ų141.676%0.75975%0.746SS**  trans-62.497.9168.5-58.3176.6000107.2T561 P565T561-I563 HydrophobicContact CG2-CG1 4.11Å; T561-I563 PolarHBondContact O-N 3.47Å; I563-P565 WeakPolarHBondContact O-CD 3.4Å
564L31.8Very low30.9Very low155 Ų155136.3 Ų136.381%0.81274%0.743SS**PPolyproline II helixtrans-57.9120.7170.8-77.8169.3000108.2Y562 S566Y562-L564 VanDerWaalsContact C-N 3.34Å; Y562-L564 PolarHBondContact O-N 2.91Å; L564-S566 PolarHBondContact O-N 2.95Å
565P31.1Very low31Very low108 Ų108135.3 Ų135.370%0.70174%0.739SS**PPolyproline II helixtrans-65.8125.6-178.525.8-33.1000109.6I563I563-P565 WeakPolarHBondContact O-CD 3.4Å
566S33.9Very low31Very low100 Ų100138.4 Ų138.470%0.69975%0.745SS**PPolyproline II helixtrans-48.1141.8175.8-540000111.1L564 I568L564-S566 PolarHBondContact O-N 2.95Å; S566-I568 PolarHBondContact O-N 2.68Å
567P37.4Very low31.3Very low115 Ų115143.7 Ų143.775%0.74775%0.75SS**  trans-57.3113.3-174.122.4-33.5000110.8H569P567-H569 PolarHBondContact O-N 2.73Å
568I34Very low31.4Very low137 Ų137142.1 Ų142.170%0.70376%0.756SS**  trans-6894.8-173.7-58.2176.9000109.1S566 F570S566-I568 PolarHBondContact O-N 2.68Å; I568-F570 PolarHBondContact O-N 2.82Å; I568-F570 VanDerWaalsContact O-N 3.09Å
569H32.3Very low31.5Very low140 Ų140141.1 Ų141.165%0.64875%0.752SS**  trans-61.1112164.7-93.3-79.4000108.6P567 N571P567-H569 PolarHBondContact O-N 2.73Å; H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 PolarHBondContact O-N 2.75Å
570F28.8Very low31.6Very low192 Ų192143.1 Ų143.184%0.84276%0.762SS**  trans-64.188.7174.6-84.9-89.2000110.9I568 R572I568-F570 PolarHBondContact O-N 2.82Å; I568-F570 VanDerWaalsContact O-N 3.09Å; F570-R572 PolarHBondContact O-N 2.89Å
571N30Very low31.9Very low140 Ų140146 Ų14675%0.74976%0.764SS**  trans-59.2109.7167.3-81.1-27.4000108.8H569 V573H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 PolarHBondContact O-N 2.75Å; N571-V573 PolarHBondContact O-N 3.48Å
572R33.6Very low32.2Very low249 Ų249149.3 Ų149.394%0.9478%0.777SS**  trans-77.672.8-179.4-165.3-178-167.7-179.35.3110.4F570 G574F570-R572 PolarHBondContact O-N 2.89Å; R572-G574 PolarHBondContact O-N 2.87Å
573V33.1Very low32.5Very low125 Ų125146.8 Ų146.876%0.75877%0.773SS**  trans-60.3107.5178.7-178.30000109.8N571 S575N571-V573 PolarHBondContact O-N 3.48Å; V573-S575 VanDerWaalsContact C-N 3.32Å; V573-S575 PolarHBondContact O-N 2.89Å
574G30.1Very low32.6Very low71 Ų71144.4 Ų144.473%0.73276%0.761SS**  trans-7679175.900000111.3R572 Q576R572-G574 PolarHBondContact O-N 2.87Å; G574-Q576 PolarHBondContact O-N 3.01Å; G574-Q576 VanDerWaalsContact O-N 3.07Å
575S33.5Very low32.7Very low101 Ų101147 Ų14771%0.70676%0.76SS**  trans-67.2106.1176-173.20000110.7V573V573-S575 VanDerWaalsContact C-N 3.32Å; V573-S575 PolarHBondContact O-N 2.89Å
576Q30.1Very low32.9Very low191 Ų191152.5 Ų152.589%0.89377%0.767SS**  trans-72.5122.6160.2-67.3-176.51.400108.4G574G574-Q576 PolarHBondContact O-N 3.01Å; G574-Q576 VanDerWaalsContact O-N 3.07Å
577R32.1Very low33.1Very low239 Ų239153.4 Ų153.490%0.90276%0.764SS**  trans-137.2134.3161.4-133177.4-175.1-160.9-0.8109.6
578G32.3Very low33Very low74 Ų74154.7 Ų154.776%0.76376%0.764SS**  trans-74174.6-164.400000115.1
579E29.5Very low33.3Very low149 Ų149154.3 Ų154.370%0.69676%0.764SS**  trans-61.5141.5177.5-55.5-175.1152.300112.6K581E579-K581 IonicContact OE1-NZ 3.55Å; E579-K581 IonicContact OE2-NZ 3.56Å; E579-K581 PolarHBondContact OE2-NZ 3.14Å
580L32.6Very low33.4Very low175 Ų175154.6 Ų154.692%0.91677%0.77SS**  trans-123.8104.7151.1-85.1170.9000108.1
581K32.6Very low33.8Very low146 Ų146149.2 Ų149.264%0.63576%0.757SS**  trans-76.6138.5171.9-69.6-177.9170.586.40109.4E579E579-K581 IonicContact OE1-NZ 3.55Å; E579-K581 IonicContact OE2-NZ 3.56Å; E579-K581 PolarHBondContact OE2-NZ 3.14Å
582L36.9Very low34.1Very low175 Ų175148.4 Ų148.492%0.91675%0.752SS**  trans-124.5119.6159.5-74.5176.7000110.1
583H35.3Very low34.1Very low153 Ų153145.8 Ų145.871%0.70874%0.742SS**  trans-71.8168.4162.3-82.2-91.9000109.5
584D34.2Very low34.3Very low97 Ų97147.6 Ų147.652%0.51974%0.742SS.*  cis-162.8168.910.5-138.513.6000111.6
585R34.1Very low34.5Very low211 Ų211152.8 Ų152.880%0.79675%0.747SS**  trans68.1143.8155.8-60.8154.1-154.9-165.94.6116.7
586R34.8Very low34.7Very low222 Ų222153.7 Ų153.784%0.83875%0.75SS**  cis-143.8142.534.7-84.6-174.7-175.7152.45.3115.6
587D38.5Very low34.7Very low120 Ų120155.7 Ų155.764%0.64275%0.75SS**  trans61.6104.4130.6-45.6-23.4000122.6
588N35.3Very low34.8Very low141 Ų141156.3 Ų156.375%0.75475%0.752SS**  34.4132.7119.7-69-19.6000119.6
589N39.1Very low34.8Very low130 Ų130159.1 Ų159.170%0.69575%0.754SS**  -170151.960.3-112.3-43.3000114
590N35.4Very low35.1Very low146 Ų146158.1 Ų158.178%0.78176%0.761SS**  trans40.1145.9144.9-76.2-25.4000123.1
591S37.6Very low35Very low79 Ų79156 Ų15655%0.55276%0.755SS**  cis-175163.5-11.360.70000111.6
592N34.9Very low35Very low122 Ų122158.1 Ų158.165%0.65276%0.764SS**  trans67.2149.1158.5-65.2-65000117.1
593R34.1Very low34.6Very low195 Ų195154.8 Ų154.874%0.73675%0.751SS**  cis-161.3159.2-2-122164.2-156.8-159.94.4113.2
594H36.9Very low34.5Very low162 Ų162153.5 Ų153.575%0.7575%0.754SS**  trans65.3102.5155.2-61.8-54.6000123
595H34.3Very low34.5Very low180 Ų180153.8 Ų153.883%0.83376%0.764SS**  trans-70.7160.3137.2-85.5-28.4000110.9
596P38.4Very low34.5Very low120 Ų120152.2 Ų152.278%0.77977%0.766SS**  -156.4135.672.439-15.9000120.9
597R29.5Very low34.5Very low234 Ų234148.6 Ų148.688%0.88376%0.763SS**  41.3113.2115.4-163.3-171-154174.57.2120
598R34.3Very low34.4Very low252 Ų252151.6 Ų151.695%0.95177%0.773SS**  trans-167.5140.7134.1-108.9167.6-170.3-1591.5113.5
599T33.3Very low34.5Very low132 Ų132147.7 Ų147.781%0.8176%0.76SS**  trans-106.1166.2165.652.90000109.4
600P36Very low34.4Very low128 Ų128149.8 Ų149.883%0.83176%0.764SS**  -148.4-171.398.939-21.1000114.7
601V29.2Very low34.6Very low132 Ų132151.4 Ų151.480%0.877%0.766SS**  trans-119.4138.8-171.3170.30000111.5
602K32.6Very low34.6Very low190 Ų190156.4 Ų156.483%0.82679%0.786SS**  trans-171.4115.6138.6-111.6-170.2174.4-175.90116.5
603T29.6Very low34.6Very low105 Ų105153.3 Ų153.364%0.64478%0.783SS**  44.2151.5127.361.30000125.3
604T32.5Very low34.7Very low125 Ų125150 Ų15077%0.76779%0.79SS**  trans85.6124.5148.937.10000122.1
605S34.3Very low34.6Very low104 Ų104146.7 Ų146.773%0.72779%0.785SS**  trans58.4142.2148.651.80000120.7
606E34Very low34.8Very low178 Ų178145.1 Ų145.183%0.83278%0.782SS**  cis-167.6179.5-19.2-124.8161.9-178.700109.5
607D34.2Very low34.6Very low146 Ų146146.2 Ų146.278%0.78178%0.782SS**  trans61.689160.4-72.37000123.6
608E37.3Very low34.9Very low182 Ų182141.3 Ų141.385%0.8578%0.777SS**  46.6137.8118.2-84.3-146.8156.900126.4
609A37.8Very low34.9Very low59 Ų59137.5 Ų137.549%0.48877%0.77SS.*  trans78.9125.5132.100000121.5
610K36.9Very low34.9Very low175 Ų175140.2 Ų140.276%0.76177%0.771SS**  cis-174.9162.830-127.8164.4-167.1177.20113.5
611E38.4Very low34.7Very low180 Ų180141.1 Ų141.184%0.84177%0.767SS**  trans-78.4164.4171.2-53.8160.9109.700114.6
612L37.8Very low34.9Very low183 Ų183141 Ų14196%0.95876%0.761SS**  trans-156154.7141.2-72-174.6000106.7
613G34.6Very low34.6Very low57 Ų57137.1 Ų137.159%0.58876%0.758SS**  cis-157.2164-3.900000109.4
614S36.7Very low35Very low126 Ų126137.2 Ų137.288%0.88176%0.76SS**  63.3147.593.969.10000114.9
615S35.6Very low34.9Very low92 Ų92135.8 Ų135.864%0.64376%0.755SS**  cis-146.21788.8-166.10000107.6
616D37Very low34.6Very low147 Ų147136.4 Ų136.479%0.78676%0.76SS**  -175.7-173.653.4-75.4-51.3000108.5
617D34Very low34.5Very low143 Ų143133.2 Ų133.277%0.76575%0.752SS**  -166.7-168-59-160.4-4.4000108.1
618V37.5Very low34.3Very low131 Ų131133.1 Ų133.179%0.79475%0.75SS**  trans84.5123166.5-1710000117.6
619Q33.4Very low34.2Very low172 Ų172131.7 Ų131.780%0.80475%0.747SS**  trans-96.3156.5170.6-56167.6-500110.9
620K33.6Very low33.8Very low189 Ų189135.8 Ų135.882%0.82276%0.761SS**  trans-150.1125.2148-152.2169.8-174178.50112
621I32Very low33.8Very low148 Ų148133.8 Ų133.876%0.75976%0.759SS**  trans-108.8126.1173.2-61167.4000107.2
622I34Very low33.5Very low130 Ų130134.3 Ų134.367%0.66776%0.758SS**  trans-142.2134.7155.8-59.8-175.7000108.2
623S26.4Very low33.4Very low108 Ų108136.4 Ų136.476%0.75575%0.753SS**  trans-137.1141.6158.1-57.40000107.6
624P36.4Very low33.4Very low107 Ų107139.5 Ų139.570%0.69576%0.757SS**  trans-117.3129.6135-1.122.1000107.9
625S31.4Very low33.1Very low95 Ų95141 Ų14166%0.66475%0.75SS**  59.5107.561.6800000112.6
626S28.1Very low33.1Very low117 Ų117143.6 Ų143.682%0.81876%0.761SS**  trans-50.6133.8169.849.20000112.1
627V32.2Very low32.8Very low111 Ų111145 Ų14567%0.67376%0.764SS**  trans-116.3114.1162.6-1740000107.2L629V627-L629 HydrophobicContact CG1-CD2 3.79Å; V627-L629 HydrophobicContact CG1-CG 3.93Å
628I29.1Very low32.8Very low144 Ų144145.9 Ų145.974%0.73877%0.768SS**  trans-79.3122.1164-63.2169.3000105.7
629L35Very low32.5Very low152 Ų152145.5 Ų145.580%0.79677%0.766SS**  trans-109.992.6169.3-70-179.9000108.7V627 D631V627-L629 HydrophobicContact CG1-CD2 3.79Å; V627-L629 HydrophobicContact CG1-CG 3.93Å; L629-D631 PolarHBondContact O-N 2.97Å
630D29.9Very low32.6Very low145 Ų145143.4 Ų143.478%0.77577%0.765SS**  trans-69114.1152.2-76.9-66.8000107.8
631D36.1Very low32.4Very low133 Ų133141.6 Ų141.671%0.71176%0.763SS**  trans-135.894.5164-153.1-11.8000110L629L629-D631 PolarHBondContact O-N 2.97Å
632K32.1Very low32.6Very low190 Ų190142.1 Ų142.183%0.82677%0.767SS**  trans-84.7114.1173.1-73.5-177.6177-1790109.4
633R36.7Very low32.4Very low227 Ų227143 Ų14386%0.85777%0.773SS**  trans-135.7144.3154.2-68-164.9-179.9168.96.4111.8
634N33.6Very low32.8Very low123 Ų123146.9 Ų146.966%0.65878%0.776SS**  trans-88.9160-166.1-68.935.1000112.8
635E31.8Very low32.7Very low158 Ų158146.3 Ų146.374%0.73878%0.775SS**  trans40.9116.5136-63.3149.6-129.800118.5
636T34.3Very low32.6Very low145 Ų145150.4 Ų150.489%0.8978%0.783SS**  -156.7140.8961.70000110.7
637E31.6Very low33Very low178 Ų178152.9 Ų152.983%0.83279%0.787SS**  trans-87.3149.1170.4-60.6179.2159.200109.6
638D35Very low33.1Very low160 Ų160156.1 Ų156.186%0.85679%0.792SS**  trans-154.3108153.4-126-25.6000109.3
639V30.9Very low33.3Very low124 Ų124157.4 Ų157.475%0.75280%0.797SS**  trans-99.6109.1-177.7175.90000109.5
640V34.4Very low33.3Very low128 Ų128156.9 Ų156.978%0.77679%0.79SS**  trans-124.698.2168.9-1760000110.3
641L30.5Very low33.6Very low151 Ų151157.2 Ų157.279%0.79179%0.791SS**  trans-61139.6163-66.7162.7000110.1
642L34.6Very low33.7Very low159 Ų159155.3 Ų155.383%0.83279%0.788SS**  trans-164.7122.6143.4-112.3168.2000112.9
643N29.7Very low33.8Very low149 Ų149153.5 Ų153.580%0.79778%0.782SS**  trans-78.9138173.5-64.1-41.7000111.6
644K35Very low33.9Very low189 Ų189150.6 Ų150.682%0.82278%0.776SS**  trans174.8111.6144.6-97.7153-174.8176.30109.5
645S34.5Very low34.2Very low95 Ų95151.9 Ų151.966%0.66478%0.783SS**  91.4108.370.473.10000113
646E30.6Very low34.4Very low181 Ų181149.8 Ų149.885%0.84679%0.785SS**  trans31.9126.5144.3-54.3-176.7135.500120.5
647N35.6Very low34.6Very low169 Ų169147.9 Ų147.990%0.90478%0.776SS**  -156.8153119.4-113.5-62.3000113.7
648K35.3Very low34.9Very low178 Ų178145.4 Ų145.477%0.77477%0.768SS**  trans-90.7155175-62.9175.9174.3-178.10111.4
649M32.5Very low35.1Very low171 Ų171147.6 Ų147.684%0.84277%0.77SS**  -176.7103.7127.4-153.1156.8-8400107.5
650E34.8Very low35.2Very low141 Ų141148.7 Ų148.766%0.65977%0.767SS**  86.4136.270.8-93.9-170.814900116.2
651I35.8Very low35.3Very low153 Ų153150 Ų15079%0.78577%0.765SS**  trans70.7133.5153.5-62.9160.6000115.6
652S37.7Very low35.5Very low92 Ų92150.9 Ų150.964%0.64377%0.765SS**  cis-147.8140.224.5530000116.1
653E34.6Very low35.4Very low153 Ų153152 Ų15272%0.71577%0.771SS**  trans23.8134.3132.5-32.8177141.300122.8
654K40.1Very low35.5Very low165 Ų165150.2 Ų150.272%0.71777%0.77SS**  178.5126.192.1-101158.2-167.91580115.1
655N37.9Very low35.4Very low150 Ų150146 Ų14680%0.80276%0.764SS**  trans44.6140.9140.2-47.8-2000119.9
656S36.2Very low35.2Very low114 Ų114151 Ų15180%0.79778%0.775SS**  cis-155.8162.411.9-147.90000110.8
657P40Very low35.4Very low105 Ų105149.9 Ų149.968%0.68277%0.774SS**  trans-109.8-158-165.642.4-34.5000115.9
658D37.4Very low35.2Very low126 Ų126146.4 Ų146.467%0.67476%0.761SS**  trans91.6111.2169.8-52.2-22.2000115.9
659F37.8Very low34.9Very low206 Ų206145.8 Ų145.890%0.90476%0.764SS**  -144.6140.854.7-99.9-93.9000115.1
660Q33.9Very low34.9Very low148 Ų148142.5 Ų142.569%0.69276%0.758SS**  trans-80177.3159.9-64.7156.8-102.500109.3
661E36.8Very low34.6Very low155 Ų155144.2 Ų144.272%0.72477%0.766SS**  cis-159.3173.710.2-138.5139.5-142.400106.2
662E34.4Very low34.6Very low170 Ų170146.6 Ų146.679%0.79477%0.771SS**  cis-138.6134.811.9-51.2171.412100109.8
663L32.8Very low34.3Very low183 Ų183147 Ų14796%0.95877%0.774SS**  trans-156.879.1155-92.2-168.6000109.3
664S32.4Very low34.3Very low110 Ų110147.4 Ų147.477%0.76978%0.779SS**  trans-102.7146167.7510000110
665S33.3Very low34.1Very low100 Ų100146.5 Ų146.570%0.69978%0.783SS**  cis-170.8137.8-24.542.20000106.1
666F29.6Very low33.6Very low202 Ų202146.2 Ų146.289%0.88678%0.781SS**  trans-60.9138.7172.4-89.4-107.7000111
667N34.1Very low33.4Very low157 Ų157147.8 Ų147.884%0.8478%0.78SS**  trans-139.998.2162.5-97.8-15.9000109.1
668P31.5Very low33.1Very low95 Ų95148.6 Ų148.662%0.61778%0.783SS**  trans-87.6175161.936.9-32.7000110.9
669I29.2Very low32.7Very low165 Ų165148.7 Ų148.785%0.84679%0.789SS**  trans73121.6177.8-46.7161.9000110.7
670S32.7Very low32.4Very low103 Ų103143.8 Ų143.872%0.7278%0.78SS**  -145.3159.352.6540000115.8
671E29.5Very low32Very low176 Ų176142.3 Ų142.382%0.82279%0.786SS**  trans-74.8154.1173.4-59.7161.8120.700112
672F33.9Very low31.8Very low203 Ų203140.5 Ų140.589%0.8979%0.79SS**  trans-135.6106.1156.1-110.2-82.9000109
673S31.8Very low31.3Very low100 Ų100137.6 Ų137.670%0.69980%0.795SS**  trans-71.2139.6174.7-54.40000110.9
674I35.6Very low31.3Very low162 Ų162134.2 Ų134.283%0.83179%0.787SS**  trans-117.7114162.6-60.2178000106.4
675N34.8Very low31.2Very low147 Ų147137.4 Ų137.479%0.78679%0.79SS**  trans-87.4156.9169.4-78.7-4000110.1
676N28.3Very low31.2Very low143 Ų143139.9 Ų139.977%0.76579%0.793SS**  trans-61.6154.3-176-49.9-34.2000113
677D32.6Very low31Very low147 Ų147139.3 Ų139.379%0.78679%0.791SS**  176.7165.899.3-91.1-28.5000113.7
678T32.3Very low30.7Very low122 Ų122136.3 Ų136.375%0.74878%0.782SS**  trans80.580.5160-40.90000119.5
679V29.1Very low30.5Very low129 Ų129138.7 Ų138.778%0.78279%0.79SS**  53.1137.3112-179.90000120.7
680S30.9Very low30.5Very low103 Ų103139 Ų13972%0.7279%0.788SS**  trans89.2116.9175.9-36.30000114.1
681S27Very low30.3Very low117 Ų117141.3 Ų141.382%0.81879%0.787SS**  cis81.282.834.889.70000115.7
682S31.5Very low30.4Very low117 Ų117142.7 Ų142.782%0.81879%0.791SS**  trans-162.5123146.7570000110.2
683A25.6Very low30Very low109 Ų109139.5 Ų139.590%0.90178%0.783SS**  trans-87.3139.6167.700000110
684S32.6Very low30Very low112 Ų112140 Ų14078%0.78379%0.786SS**  trans-158.1134.5159.956.90000109.8
685E28.9Very low29.7Very low176 Ų176137.6 Ų137.682%0.82278%0.783SS**  trans-80-148.7177.4-54.2170.8113.100110.9
686I33Very low29.6Very low152 Ų152137.1 Ų137.178%0.77978%0.78SS**  trans90.488.7176.8-52.9169.9000112.5
687F26.9Very low29.5Very low191 Ų191136.5 Ų136.584%0.83878%0.776SS**  84.5150.773.9-97.7-92000114.8
688S28Very low29.5Very low93 Ų93140.4 Ų140.465%0.6578%0.781SS**  trans90.193.8161.4-47.90000118.7
689N25.9Very low29.2Very low145 Ų145138.9 Ų138.978%0.77578%0.776SS**  29.9112.2113.8-50.9-22000117.9
690Q30.3Very low29Very low172 Ų172138.7 Ų138.780%0.80478%0.775SS**  -176.4110.5103.3-97.8169.241.200113.6
691Q27.1Very low28.9Very low151 Ų151140.3 Ų140.371%0.70677%0.774SS**  35.2101119.7-170.8176.912.600118.1
692F32.5Very low28.8Very low205 Ų205140.3 Ų140.390%0.89977%0.769SS**  trans-129.5107.8149.4-105.8-84.2000110.7
693N26.2Very low28.7Very low137 Ų137142.1 Ų142.173%0.73377%0.769SS**  trans-89.3127.9173.9-70.5-27.9000110.2
694S31.5Very low28.8Very low109 Ų109141.4 Ų141.476%0.76276%0.758SS**  trans-177.5140.915448.70000109.7
695C27.9Very low28.6Very low113 Ų113143.1 Ų143.176%0.76476%0.758SS**  cis-160.6168.3-12.1-141.80000111.2
696L33Very low28.6Very low137 Ų137141.1 Ų141.172%0.71775%0.752SS**  trans70.399.1160.9-57.2172.6000119.3
697D27.8Very low28.7Very low129 Ų129141.8 Ų141.869%0.6976%0.756SS**  51116.5114.9-48.9-18.1000120.2
698Y31.3Very low28.9Very low229 Ų229136.1 Ų136.190%0.89874%0.74SS**  -155.5154.485.5-114.2-80.5000112.6
699S25.8Very low29.1Very low91 Ų91139 Ų13964%0.63675%0.748SS**  trans-105.4159.5-170.451.80000114.2
700V24.5Very low29.3Very low124 Ų124138 Ų13875%0.75275%0.747SS**  trans18.2112151.8-174.50000117.3
701I28.8Very low29.4Very low138 Ų138134.7 Ų134.771%0.70874%0.743SS**  trans-127.289.9154.9-57.8-176.3000110.3N703I701-N703 HydrophobicContact CG2-CB 4Å; I701-N703 VanDerWaalsContact CG2-ND2 3.34Å; I701-N703 WeakPolarHBondContact CG2-ND2 3.45Å; I701-N703 PolarHBondContact O-N 3.16Å
702T25.7Very low29.4Very low117 Ų117135.4 Ų135.472%0.71875%0.751SS**  trans-82.599157.6470000109.1S704T702-S704 PolarHBondContact O-N 3.17Å
703N30Very low29.2Very low154 Ų154130.3 Ų130.382%0.82474%0.741SS**  trans-98.976.3-179.2-96.5-8.1000113.1I701I701-N703 HydrophobicContact CG2-CB 4Å; I701-N703 VanDerWaalsContact CG2-ND2 3.34Å; I701-N703 WeakPolarHBondContact CG2-ND2 3.45Å; I701-N703 PolarHBondContact O-N 3.16Å
704S26.6Very low29.3Very low94 Ų94132.2 Ų132.266%0.65775%0.745SS**  trans-88.4124.8152.553.30000109.3T702T702-S704 PolarHBondContact O-N 3.17Å
705N28.8Very low29.4Very low149 Ų149134.2 Ų134.280%0.79775%0.746SS**  trans-176.5151.4142-105.9-37.3000118.6
706I29.1Very low29.6Very low134 Ų134134.1 Ų134.169%0.68774%0.744SS**  trans64.5108147.7-61.6159.9000120
707L34.1Very low29.4Very low165 Ų165135.3 Ų135.386%0.86475%0.746SS**  -159.876.9122.3-97.4172.6000106.2
708S31.6Very low29.4Very low72 Ų72137.7 Ų137.750%0.50375%0.753SS.*  93.1134.476.566.20000113.7
709N32.8Very low29.2Very low153 Ų153132 Ų13282%0.81875%0.746SS**  trans89.3137.1167.8-51.5-20.5000117.9
710V29.8Very low29.3Very low124 Ų124135.6 Ų135.675%0.75275%0.753SS**  cis-168.4159-31.41130000109.3
711S33.2Very low29.5Very low103 Ų103135 Ų13572%0.7275%0.746SS**  trans68.2129.6178.6-58.20000115.6
712L27.2Very low29.5Very low166 Ų166134.9 Ų134.987%0.86975%0.746SS**  cis64.6100.526-61.5169.1000116.2
713S27.8Very low29.7Very low98 Ų98134.5 Ų134.569%0.68574%0.744SS**  -179.5130.2113.557.60000114.9
714Q27.8Very low29.8Very low178 Ų178132.7 Ų132.783%0.83274%0.739SS**  trans49.8113.1137.6-67.2159.8-73.500123.4
715I33.2Very low30Very low150 Ų150135 Ų13577%0.76974%0.743SS**  -1.9129.5119.3-63.1164.5000114.6E717I715-E717 HydrophobicContact CG2-CG 4.17Å
716P33.1Very low30.2Very low111 Ų111134.6 Ų134.672%0.72174%0.74SS**  -127.4156.472.48.916000114.3
717E28.4Very low30.4Very low162 Ų162132.3 Ų132.376%0.75774%0.736SS**  83.4143.158.4-63.9-172131.100116.5I715I715-E717 HydrophobicContact CG2-CG 4.17Å
718E27.4Very low30.4Very low180 Ų180131.1 Ų131.184%0.84173%0.731SS**  trans71154.8155.5-77.2-174.6178.400124
719S27.4Very low30.7Very low108 Ų108131.8 Ų131.876%0.75574%0.735SS**  trans61.2103.8175.961.60000116.5
720E28.2Very low30.8Very low168 Ų168132.6 Ų132.679%0.78573%0.734SS**  79.4153.857.3-70.4-162.2165.100115.8
721N28.6Very low31.1Very low112 Ų112135.6 Ų135.660%0.59974%0.739SS**  trans75.490.7152.9-65.5-47.8000119.9
722N28.2Very low31.2Very low134 Ų134134.7 Ų134.772%0.71774%0.738SS**  74.2159129.9-50.5-41000117.1
723T30.3Very low31.6Very low110 Ų110133.2 Ų133.268%0.67574%0.736SS**  cis-157.1156.313.5-22.30000110.1
724T31.2Very low31.7Very low116 Ų116134 Ų13471%0.71273%0.732SS**  trans61.5145.3148.757.60000120.9
725L32.6Very low32Very low141 Ų141135.3 Ų135.374%0.73874%0.736SS**  cis-161.7149.1-8-103.1162.9000109.3
726L32.8Very low31.9Very low141 Ų141135 Ų13574%0.73873%0.731SS**  trans35121.1146.8-63.1176.6000120.8
727S32.4Very low31.7Very low86 Ų86136 Ų13660%0.60174%0.735SS**  81.5153.374.1960000113.2
728D34.7Very low31.7Very low141 Ų141132 Ų13275%0.75473%0.729SS**  cis-158.9169.618.3-110.5-44.9000109.6
729S36.9Very low31.8Very low85 Ų85130.8 Ų130.859%0.59472%0.724SS**  cis-159.6-163.8-6.364.70000110.9
730H35.9Very low32Very low171 Ų171132 Ų13279%0.79272%0.721SS**  trans8155.6157.8-55.5-57000123.5
731E35.8Very low32.3Very low187 Ų187132.2 Ų132.287%0.87472%0.72SS**  cis-145.4178.121-150.6167.1-172.700114.6
732A35.3Very low32.4Very low83 Ų83133.6 Ų133.669%0.68673%0.727SS**  trans-74.9171.5-168.100000114.9
733T36.3Very low32.5Very low136 Ų136131.5 Ų131.583%0.83473%0.728SS**  cis-154139.829.9-390000113.6
734D29.8Very low32.5Very low113 Ų113133.4 Ų133.460%0.60473%0.733SS**  trans-86.5166.5173.9-102.8-63.7000113.3Q736D734-Q736 PolarHBondContact OD1-NE2 3.38Å
735F32.6Very low32.5Very low207 Ų207136.9 Ų136.991%0.90874%0.741SS**  -154.1128.6122.1-112.7-69000112.6
736Q32.5Very low32.3Very low144 Ų144139.5 Ų139.567%0.67375%0.747SS**  trans-86.8140.1-177.9-76.215522.700110.2D734D734-Q736 PolarHBondContact OD1-NE2 3.38Å
737V28.8Very low32.4Very low130 Ų130141.3 Ų141.379%0.78875%0.751SS**  75.688.666.7-1800000114.1
738A29Very low32.3Very low78 Ų78145.4 Ų145.465%0.64576%0.758SS**  trans76.2162.2131.700000123.5
739H29.6Very low32.1Very low156 Ų156145 Ų14572%0.72276%0.755SS**  trans88.598.2150.6-70.9-48.3000123.4
740N30.1Very low31.8Very low132 Ų132147.6 Ų147.671%0.70676%0.761SS**  80.3159.6115-66.913.8000121.9
741K34.4Very low31.5Very low173 Ų173147.2 Ų147.275%0.75276%0.76SS**  trans91.3107158.7-69.4172.9175.4178.50118.4
742D30.4Very low31.4Very low142 Ų142146 Ų14676%0.75975%0.754SS**  48.6107.6114.4-40-21.4000116.4
743A30.5Very low31.4Very low89 Ų89147.3 Ų147.374%0.73675%0.75SS**  87141.954.100000114.9
744I30.7Very low31.5Very low151 Ų151147 Ų14777%0.77475%0.75SS**  trans63.7110.9169.9-24.6176000116.7
745Q32.3Very low31.9Very low188 Ų188151.2 Ų151.288%0.87976%0.759SS**  -173.4162.6103.6-95.6-174.610.600113.8
746F27.5Very low32.2Very low196 Ų196149.5 Ų149.586%0.8675%0.754SS**  trans-92.8141.8-178.2-80.8-118.9000111
747E34.5Very low32.4Very low179 Ų179148.8 Ų148.884%0.83675%0.754SS**  -177.9121.5124.2-96.1-179159.400106.4
748K31.4Very low32.8Very low172 Ų172147.3 Ų147.375%0.74875%0.75SS**  68.79859.8-164.7-154.5179.7-175.40112.7
749L30.3Very low33.2Very low132 Ų132150.8 Ų150.869%0.69176%0.757SS**  166.5141.7120.3-87.5174.9000111.6
750I30.3Very low33.6Very low141 Ų141149.4 Ų149.472%0.72376%0.755SS**  trans63.3142.9141.8-68.4167.6000118.9
751E30.1Very low34.1Very low163 Ų163150.5 Ų150.576%0.76276%0.759SS**  cis-170.5170.9-22.9-172.7160.1172.700108.1
752E32.1Very low34.3Very low161 Ų161145.5 Ų145.575%0.75276%0.757SS**  trans133.8148.9138.2-70.7-154.3154.400116.7
753N36.6Very low35.2Very low110 Ų110144.6 Ų144.659%0.58876%0.758SS**  trans75.690.4162.8-62.4-67.6000119Y755N753-Y755 WeakPolarHBondContact OD1-CE2 3.26Å
754P37.7Very low35.5Very low130 Ų130145.6 Ų145.684%0.84476%0.76SS**  trans-114.1120.1133.133.9-25.9000111.1
755Y37.9Very low36Very low201 Ų201145.3 Ų145.379%0.78877%0.766SS**  trans-120.7117.4171.4-89.5-85.7000110.3N753N753-Y755 WeakPolarHBondContact OD1-CE2 3.26Å
756Q38.7Very low36.3Very low172 Ų172139.4 Ų139.480%0.80476%0.755SS**  176.4144.2115.8-98.2178.24.800114.9
757N38.4Very low37Very low128 Ų128139.3 Ų139.368%0.68476%0.757SS**  trans79.376.2149.4-56.5-11.8000121.8
758S36.1Very low37.2Very low100 Ų100134.7 Ų134.770%0.69975%0.745SS**  84.4143.8105.972.40000123
759L38.2Very low37.5Very low150 Ų150133 Ų13379%0.78574%0.744SS**  trans71.8135.2167.9-84.673.6000117.4
760D38.3Very low37.8Very low127 Ų127133.8 Ų133.868%0.67975%0.748SS**  cis-160.5159-16.6-141.5-5.9000114
761I40.3Very low38Very low155 Ų155131.6 Ų131.680%0.79575%0.745SS**  trans51.4126.8157.5-63.9151.2000121.2
762G37.4Very low39Very low68 Ų68129.5 Ų129.570%0.70175%0.746SS**  trans133.290.4140.500000119.2
763P49Very low39.2Very low123 Ų123130 Ų13080%0.79975%0.746SS**  trans-121.1163.5-175.441.5-31.4000116.7
764S38.3Very low39.2Very low111 Ų111131.9 Ų131.978%0.77675%0.751SS**  trans157.5152.3151.145.30000111.6
765T40.8Very low39Very low144 Ų144130.7 Ų130.788%0.88374%0.737SS**  cis-165.3160.3-16.4230000109.9
766G39.3Very low38.9Very low64 Ų64129.5 Ų129.566%0.6674%0.737SS**  trans109.4107.9164.800000114.2
767E40.7Very low38.8Very low194 Ų194127.8 Ų127.891%0.90773%0.732SS**  88.2135.860.8-76.9-176.3-157.500114.1
768S39.9Very low39Very low82 Ų82126.5 Ų126.557%0.57373%0.731SS**  cis-169.3166-9.763.70000113.8
769N37.2Very low38.9Very low137 Ų137128.1 Ų128.173%0.73374%0.737SS**  trans64156.5140.3-69.3-22.8000121.4
770L37.2Very low38.8Very low148 Ų148124.2 Ų124.278%0.77573%0.733SS**  cis-168.8166.5-11.7-93.5161.7000105.8
771S34.6Very low38.9Very low95 Ų95126.6 Ų126.666%0.66474%0.74SS**  cis-170.8155.8-16.752.50000110.9
772P49.7Very low38.6Very low119 Ų119124.2 Ų124.277%0.77374%0.737SS**  trans-102.1-174.2-176.341.2-37.3000114.5
773K37.2Very low38.6Very low173 Ų173128.5 Ų128.575%0.75274%0.739SS**  trans178134145-100.1167.1173.7-177.40117.1
774Q37.2Very low37.8Very low149 Ų149129.6 Ų129.670%0.69674%0.737SS**  63.8151.4129.1-63.5174.1-44.500121.4
775N33.6Very low37.6Very low104 Ų104130.1 Ų130.156%0.55674%0.735SS**  cis-157.8-173.3-10.4-97.72.2000106.9
776F35.2Very low37.1Very low176 Ų176128 Ų12877%0.77273%0.726SS**  cis-143.616314.9-81.9-86.4000107.6
777L36.3Very low36.9Very low137 Ų137130.5 Ų130.572%0.71773%0.734SS**  cis71.8143.349-70.8164.4000115.8
778P42Very low36.5Very low101 Ų101129.9 Ų129.966%0.65674%0.736SS**  cis-150.7167.3-19.844.3-25.5000119.6
779T35.3Very low36.1Very low133 Ų133129.7 Ų129.782%0.81675%0.747SS**  trans38.7143.6139.260.10000127.3
780G36.5Very low36Very low68 Ų68129.8 Ų129.870%0.70175%0.753SS**  trans-176.3100.3142.900000110.2
781E39.4Very low35.8Very low178 Ų178128.5 Ų128.583%0.83275%0.753SS**  7199.590.5-72.8-178-169.900113
782S33.9Very low36Very low105 Ų105129.6 Ų129.673%0.73476%0.758SS**  109.1152.179.561.90000109.5
783E36.9Very low35.2Very low158 Ų158133.5 Ų133.574%0.73876%0.762SS**  cis-149.5155.334.2-73.9-170.7118.200114.1
784L33.4Very low35.1Very low146 Ų146132.6 Ų132.676%0.76476%0.764SS**  37.8147.6126.5-46175.5000121.4
785V34.3Very low35Very low121 Ų121134.3 Ų134.373%0.73377%0.77SS**  cis-156.5154.75.6101.20000114.3
786S30.4Very low34.9Very low100 Ų100138.2 Ų138.270%0.69978%0.784SS**  trans2.6139.1156.1-50.70000120.9
787S34.7Very low34.9Very low117 Ų117135.3 Ų135.382%0.81879%0.786SS**  -169.9159.779.942.30000115
788L31.1Very low34.5Very low180 Ų180139.6 Ų139.694%0.94279%0.794SS**  trans-83.9144.6-179.7-85.760.8000112.5
789G31.9Very low34.2Very low78 Ų78143.8 Ų143.880%0.80480%0.802SS**  trans-142.8110170.600000112.4
790T34.6Very low33.9Very low140 Ų140148.9 Ų148.986%0.85981%0.806SS**PPolyproline II helixtrans-70.1149.9-172.724.60000114.9
791P33Very low33.9Very low120 Ų120152.9 Ų152.978%0.77981%0.81SS**PPolyproline II helixtrans-81.4137.8-178.832.3-35.1000113.3
792P40Very low33.5Very low118 Ų118149.1 Ų149.177%0.76680%0.804SS**PPolyproline II helixtrans-87.7134.2179.332.9-33.5000113.7
793K32.2Very low33.6Very low201 Ų201152.8 Ų152.887%0.87481%0.809SS**PPolyproline II helixtrans-87.5119.6171.2-62.6174-179175.70111.2
794I35.9Very low33.4Very low154 Ų154149.9 Ų149.979%0.7981%0.806SS**  trans-134.294.8166.5-54.5-178.9000107.3
795K34.9Very low33.5Very low186 Ų186151 Ų15181%0.80981%0.813SS**  65.3113.178.9-73.6-169172.4-178.80114.3
796Q30.2Very low33.6Very low186 Ų186151.8 Ų151.887%0.86981%0.813SS**  trans-54.5146.8163.3-62.2165.8-21.600111.1
797S35.4Very low34Very low115 Ų115153.2 Ų153.280%0.80482%0.819SS**  trans-145.2119.3156.258.60000111.2
798Y28.9Very low33.9Very low227 Ų227153.7 Ų153.789%0.8981%0.813SS**  trans-71.7136.3166.7-80.4-102.4000109.1
799K35.2Very low34.1Very low189 Ų189155 Ų15582%0.82281%0.811SS**  trans-145.1111.1160.9-145.9169.7-171.8178.10112.1
800R29.7Very low34.3Very low240 Ų240156.1 Ų156.191%0.90680%0.804SS**  trans-69.7133.5165.2-53.4175-169.3158.91.8108
801I36.1Very low34.1Very low151 Ų151156.3 Ų156.377%0.77480%0.798SS**  trans-131.9127.7154.7-62.3-176.1000107.2
802S30.1Very low34.2Very low100 Ų100158.6 Ų158.670%0.69980%0.804SS**  trans-120.1118.2179.6-540000108.8
803Q36.5Very low33.7Very low181 Ų181158 Ų15885%0.84680%0.803SS**  trans-173.998.8160.8-102.1153.441.400106.2
804S32.2Very low33.9Very low98 Ų98152.9 Ų152.969%0.68580%0.798SS**  72.4101.876.373.20000113.8
805N36.1Very low33.8Very low169 Ų169155.1 Ų155.190%0.90480%0.802SS**  trans-162.4112.4141.5-94.9-31.5000109.7
806L37.2Very low33.6Very low138 Ų138154.7 Ų154.772%0.72380%0.8SS**  trans-89.1164.2168.7-82.9154.5000109.4
807P37.3Very low33.7Very low129 Ų129153.1 Ų153.184%0.83880%0.798SS**  -128137.3113.135.2-30.5000113.1
808N33.4Very low33.6Very low128 Ų128155.2 Ų155.268%0.68480%0.795SS**  trans-77.6151.1179.4-64.2-51.2000112.7
809K35.5Very low33.8Very low207 Ų207152.3 Ų152.390%0.980%0.795SS**  trans-147.3141.9135.7-117.7170.3-175.6176.20111.1
810P35Very low33.7Very low101 Ų101148.2 Ų148.266%0.65679%0.785SS**  trans-126.9164.1-152.941.5-26.5000116.1
811I32.2Very low33.8Very low144 Ų144143.5 Ų143.574%0.73878%0.778SS**  trans56.9118.7149.4-62.8158000118
812N35Very low33.7Very low168 Ų168144.7 Ų144.790%0.89879%0.785SS**  -149.3147.5125.6-114.5-28.3000110.4
813S29.5Very low33.7Very low107 Ų107148 Ų14875%0.74879%0.792SS**  trans-134.9129.1-169.8540000113.8
814A35.8Very low33.6Very low93 Ų93145 Ų14577%0.76979%0.788SS**  trans-138.4111164.400000106.6
815K34.6Very low33.5Very low200 Ų200146.6 Ų146.687%0.8779%0.794SS**  60.989.883.2-69-172.8177.7-178.40111.3
816F29.5Very low33.4Very low177 Ų177150.5 Ų150.578%0.77680%0.796SS**  83.6105.675.8-165.9-70.9000111.9
817N32.9Very low33.2Very low153 Ų153154.7 Ų154.782%0.81880%0.802SS**  trans-160.4102149-106.3-17.2000109
818Q32.4Very low32.9Very low159 Ų159154.8 Ų154.874%0.74380%0.799SS**  trans-78.5135.4153.9-72.4176.2-34.100107.3
819N33.7Very low32.8Very low166 Ų166153.4 Ų153.489%0.88880%0.8SS**  trans-141131.1160.1-127.4-9.4000107.8
820V33.5Very low32.5Very low103 Ų103151.3 Ų151.362%0.62480%0.798SS**  trans-132.6146.1-163.8-156.40000109.5
821N31.8Very low32.4Very low142 Ų142153.3 Ų153.376%0.75981%0.808SS**  trans70.3127.5171.4-51.6-53.4000116.9
822L33.6Very low32.3Very low175 Ų175153.8 Ų153.892%0.91681%0.812SS**  -160.9104.2106.1-103158.1000110.3
823M30.5Very low32.3Very low171 Ų171151 Ų15184%0.84281%0.806SS**  trans-97.6133.7175-106.1-71.9171.700110.4
824P34.9Very low32.5Very low117 Ų117153.8 Ų153.876%0.7681%0.807SS**  trans-101.8113.7164.411.48.4000110.9
825T29.9Very low32.3Very low132 Ų132157.2 Ų157.281%0.8181%0.813SS**  trans-68.5142.6179.8-35.70000112.8
826R33Very low32.3Very low251 Ų251152.9 Ų152.995%0.94781%0.805SS**  trans-141.1147.3147.8-105.9179.1-173.1-161.3-0.8111.2
827R32.3Very low32.7Very low226 Ų226154.4 Ų154.485%0.85381%0.811SS**  trans-78.5142.6-172.9-63.8174.7177.1165.7-4.3111.3
828V30.9Very low32.7Very low130 Ų130153.7 Ų153.779%0.78881%0.808SS**  trans-99.7152.1142.5-179.10000106.9L830V828-L830 HydrophobicContact CG1-CG 4.48Å
829S31.8Very low32.9Very low99 Ų99154.6 Ų154.669%0.69281%0.812SS**  trans-141.2105.7174.2-62.10000108.6
830L29.9Very low33Very low164 Ų164153.4 Ų153.486%0.85981%0.806SS**  trans-96.4130.5169.5-68.6169.5000107.9V828V828-L830 HydrophobicContact CG1-CG 4.48Å
831T33.6Very low33.4Very low143 Ų143154.5 Ų154.588%0.87781%0.813SS**  trans-129.7112.7165.747.20000108.3
832N29.1Very low33.7Very low153 Ų153155.2 Ų155.282%0.81882%0.817SS**  trans-92.7135.5-178.8179.722.1000110
833S35.2Very low33.8Very low109 Ų109151 Ų15176%0.76281%0.807SS**  trans-165.6130.2162.556.40000111.4
834Q33.1Very low34.2Very low167 Ų167149.8 Ų149.878%0.7881%0.809SS**  trans-74.6154.9172.2-59.5136-78.800111.6
835N32.5Very low34.1Very low165 Ų165151.5 Ų151.588%0.88281%0.812SS**  -170.2130.8128.5-99.2-13000110.6
836P34.7Very low34.3Very low109 Ų109151.5 Ų151.571%0.70882%0.816SS**  trans-91.3148166.136-31.2000111
837F36.7Very low34.2Very low208 Ų208146.2 Ų146.291%0.91281%0.812SS**  trans-159.5152.8148.2-111-73.2000109.9
838N32.8Very low34.2Very low139 Ų139140.3 Ų140.374%0.74381%0.805SS**  trans-79.1155.8-177.9-51.2-21.5000111
839E37.3Very low34.3Very low177 Ų177139.9 Ų139.983%0.82780%0.803SS**  -172.1130.7102.8-98.6170.6176.500111.3
840D36.6Very low34.4Very low142 Ų142142.8 Ų142.876%0.75981%0.809SS**  trans18.1133.3148.3-47.9-14.9000120.7
841T42Very low34.5Very low126 Ų126140.9 Ų140.977%0.77381%0.81SS**  -170.4121.7104.3-65.10000110.6
842D37.7Very low34.5Very low157 Ų157137.1 Ų137.184%0.8480%0.8SS**  trans39.4133.4156-57.3-20.6000123.4
843A35.1Very low34.9Very low87 Ų87138.6 Ų138.672%0.71980%0.802SS**  trans-82.5166.5172.100000113.1
844T38Very low35Very low144 Ų144139 Ų13988%0.88380%0.8SS**  trans-157.1127.5135.6-3.70000110.6
845D33.3Very low35Very low153 Ų153136.2 Ų136.282%0.81880%0.799SS**  trans-67.3152.7162.6-68.4-71.8000110.6
846C34.2Very low35.3Very low133 Ų133138 Ų13890%0.89980%0.802SS**  trans-169.1122134.8-116.70000112.2
847V31.4Very low35.2Very low140 Ų140139.1 Ų139.185%0.84881%0.807SS**  trans-84125.7162.3173.60000108.7
848S33.1Very low35.3Very low101 Ų101138.2 Ų138.271%0.70681%0.808SS**  trans179.9122.3145.2-86.10000114.2
849T32.1Very low35.5Very low122 Ų122139.1 Ų139.175%0.74881%0.808SS**  37.2163.2127.967.90000123.6
850L34.5Very low35.6Very low159 Ų159142 Ų14283%0.83281%0.812SS**  trans78.1101.9161.7-59.5172.8000120
851S31.5Very low35.5Very low124 Ų124141.3 Ų141.387%0.86781%0.809SS**  16.9123.3118.1178.80000119
852G34.1Very low35.5Very low65 Ų65142.6 Ų142.667%0.6781%0.806SS**  trans-177.595.7166.300000117.3
853E37.2Very low35.6Very low183 Ų183142.5 Ų142.586%0.85580%0.799SS**  trans57131.4133.4-62.2-175.3132.300125
854T36.6Very low35.7Very low117 Ų117144.6 Ų144.672%0.71880%0.798SS**  trans7296.1139.655.50000123
855S34.2Very low35.9Very low109 Ų109146.9 Ų146.976%0.76280%0.795SS**  39121108.7-51.40000121.5
856Q37.7Very low36.3Very low202 Ų202145.4 Ų145.494%0.94479%0.786SS**  trans-128.9139.1142.7-71.8-171.40.500109.9
857T32.4Very low36.7Very low133 Ų133146.6 Ų146.682%0.81678%0.778SS**  trans-118.9139.3-176.544.40000111.4
858M39.6Very low37.2Very low190 Ų190148.2 Ų148.294%0.93678%0.776SS**  trans-141.999161.1-91.3-162.4-71.600111.2
859E36Very low37.5Very low158 Ų158147.1 Ų147.174%0.73878%0.781SS**  trans6.2128.4139.5-177.3168.7-135.400119.2
860Y40.3Very low37.9Very low236 Ų236146.8 Ų146.893%0.92578%0.784SS**  trans-152.9112.2135.5-108.7-75.2000110.3
861N35.4Very low38.3Very low129 Ų129146.4 Ų146.469%0.6978%0.782SS**  trans-101.6148.9168-76.2-68.8000109.6
862E40.2Very low38.9Very low153 Ų153151.7 Ų151.772%0.71578%0.783SS**  176.1150.9128.7-103.6-174.2156.400114.9
863F39.9Very low39.6Very low155 Ų155154.1 Ų154.168%0.6879%0.79SS**  trans51.5137.4158-61.1-51.3000120.9
864N38Very low39.8Very low130 Ų130150.4 Ų150.470%0.69579%0.791SS**  cis-142.7147.6-4-77.2-57.4000106.7
865K43.1Very low40.2Very low192 Ų192149.3 Ų149.384%0.83579%0.794SS**  cis81.4148.628.9-145.1170.1-170174.60114.9
866I41.5Very low40.6Very low123 Ų123150.1 Ų150.163%0.63180%0.799SS**  trans62.6135.2-175.8-1.2-178.5000114.8
867H41.9Very low40.9Very low158 Ų158143.8 Ų143.873%0.73179%0.788SS**  cis-126.9142.88.4-73.9-103.6000111.1
868H42.1Very low41.4Very low174 Ų174148.4 Ų148.481%0.80679%0.79SS**  41.9127.588-51.6-75.3000115.3
869G38.4Very low41.7Very low78 Ų78145 Ų14580%0.80479%0.785SS**  cis151.6149.5-4.500000111.9
870S40.4Very low42.3Very low115 Ų115146.7 Ų146.780%0.80479%0.79SS**  trans-166.9123.4164.5-176.10000111.9
871D42.9Very low42.6Very low151 Ų151140 Ų14081%0.80778%0.778SS**  trans-73.7153.1170.6-53.6-88.1000112.5
872R44.6Very low43.6Very low234 Ų234142.1 Ų142.188%0.88379%0.787SS**  trans-161.291148.2-110.9156-158.4-114.10.2114.3
873S48.7Very low44Very low116 Ų116142 Ų14281%0.81179%0.789SS**  trans61115.5134.3-52.60000119.7
874A42.1Very low44.7Very low106 Ų106136.3 Ų136.388%0.87677%0.774SS**  trans-73.9144.7168.700000113.6
875A45.7Very low45.4Very low94 Ų94134 Ų13478%0.77777%0.772SS**  trans-148.492159.400000108.1G877A875-G877 PolarHBondContact O-N 3.17Å
876S41.4Very low46.1Very low125 Ų125127.5 Ų127.587%0.87476%0.76SS**  58.241.584.4-155.90000115.1
877G43.9Very low46.9Very low69 Ų69128.6 Ų128.671%0.71176%0.763SS**  trans-94.576.1169.700000113A875 S879A875-G877 PolarHBondContact O-N 3.17Å; G877-S879 PolarHBondContact O-N 2.78Å
878R43.1Very low47.8Very low230 Ų230128.3 Ų128.387%0.86876%0.762SS**  trans-7879.8-173.8-177.2179.2160.4162.3-6.1113.1
879S46.7Very low49.1Very low118 Ų118126.8 Ų126.883%0.82576%0.755SS**  trans-106.279.2173.2-64.70000112.2G877 S881G877-S879 PolarHBondContact O-N 2.78Å; S879-S881 PolarHBondContact O-N 2.98Å; S879-S881 VanDerWaalsContact O-N 3.14Å
880K48.9Very low50.8Low195 Ų195124.8 Ų124.885%0.84874%0.735SS**  trans-75.396.6167.9-77.8-161172.1-162.80109.7
881S45.8Very low52.4Low96 Ų96124.2 Ų124.267%0.67172%0.722SS**  trans-70.7132.4164.1-176.70000109.6S879 M883S879-S881 PolarHBondContact O-N 2.98Å; S879-S881 VanDerWaalsContact O-N 3.14Å; S881-M883 VanDerWaalsContact C-N 3.35Å; S881-M883 PolarHBondContact O-N 2.89Å
882I55.6Low54.1Low172 Ų172124.8 Ų124.888%0.88272%0.717SS**THydrogen-bonded Turntrans-96.932.4-170.2-163164.5000112.9
883M48.8Very low55.7Low152 Ų152119.8 Ų119.875%0.74971%0.708SS**THydrogen-bonded Turntrans-117.2-8.3-174.8-58.8-164.4-5700115.4S881 A885S881-M883 VanDerWaalsContact C-N 3.35Å; S881-M883 PolarHBondContact O-N 2.89Å; M883-A885 PolarHBondContact O-N 3.04Å
884G54.4Low57.2Low35 Ų35119.7 Ų119.736%0.36169%0.694SS.*THydrogen-bonded Turntrans-75.8-8.1-169.500000117.3G886 E887 E888G884-G886 VanDerWaalsContact C-N 3.32Å; G884-G886 PolarHBondContact O-N 2.95Å; G884-E887 PolarHBondContact O-N 2.83Å; G884-E887 VanDerWaalsContact O-N 3.13Å; G884-E888 PolarHBondContact O-N 3.5Å
885A53.9Low59.3Low80 Ų80118.9 Ų118.966%0.66168%0.675SS**Hα-helixtrans-63.6-31.8-169.800000114.4M883M883-A885 PolarHBondContact O-N 3.04Å
886G57Low61.3Low57 Ų57119.7 Ų119.759%0.58866%0.663SS**Hα-helixtrans-80.9-22.6176.700000114.2G884 G890G884-G886 VanDerWaalsContact C-N 3.32Å; G884-G886 PolarHBondContact O-N 2.95Å; G886-G890 PolarHBondContact O-N 2.89Å
887E58.7Low63.6Low146 Ų146116.7 Ų116.768%0.68265%0.646SS**Hα-helixtrans-78.3-35.2179.8-62.4179.3153.500110.8G884 G890 L891G884-E887 PolarHBondContact O-N 2.83Å; G884-E887 VanDerWaalsContact O-N 3.13Å; E887-G890 PolarHBondContact O-N 2.75Å; E887-L891 WeakPolarHBondContact O-CG 3.24Å; E887-L891 PolarHBondContact O-N 2.84Å
888E61.3Low66Low152 Ų152118 Ų11871%0.7164%0.636SS**Hα-helixtrans-68.7-38.6178.2-166.8167.5-157.400112.6G884 K892G884-E888 PolarHBondContact O-N 3.5Å; E888-K892 WeakPolarHBondContact O-CB 3.44Å; E888-K892 PolarHBondContact O-N 2.72Å; E888-K892 VanDerWaalsContact O-N 3.09Å
889E69.4Low68.3Low141 Ų141114.2 Ų114.266%0.65962%0.622SS**Hα-helixtrans-68.8-39.1172.1-69.7-165146.300112.5K892 L893E889-K892 PolarHBondContact O-N 3.4Å; E889-L893 WeakPolarHBondContact O-CG 3.38Å; E889-L893 PolarHBondContact O-N 2.91Å
890G73.2Confident70.5Confident37 Ų37111.7 Ų111.738%0.38160%0.604SS.*Hα-helixtrans-59.3-49.1175.400000112.4G886 E887 K892 L893 E894G886-G890 PolarHBondContact O-N 2.89Å; E887-G890 PolarHBondContact O-N 2.75Å; G890-K892 VanDerWaalsContact C-N 3.28Å; G890-K892 PolarHBondContact O-N 2.6Å; G890-L893 PolarHBondContact O-N 3.38Å; G890-E894 PolarHBondContact O-N 2.93Å
891L75.4Confident72.6Confident102 Ų102107.8 Ų107.853%0.53459%0.592SS.*Hα-helixtrans-63-33.1175.8-71.6169.5000112.6E887 N895E887-L891 WeakPolarHBondContact O-CG 3.24Å; E887-L891 PolarHBondContact O-N 2.84Å; L891-N895 WeakPolarHBondContact O-CB 3.31Å; L891-N895 PolarHBondContact O-N 2.92Å; L891-N895 PolarHBondContact O-ND2 3.4Å
892K78.4Confident75Confident163 Ų163108.1 Ų108.171%0.70959%0.585SS**Hα-helixtrans-69.5-42.2176.6-170.1178.1-179.6-1760112E888 E889 G890 N895 E896E888-K892 WeakPolarHBondContact O-CB 3.44Å; E888-K892 PolarHBondContact O-N 2.72Å; E888-K892 VanDerWaalsContact O-N 3.09Å; E889-K892 PolarHBondContact O-N 3.4Å; G890-K892 VanDerWaalsContact C-N 3.28Å; G890-K892 PolarHBondContact O-N 2.6Å; K892-N895 PolarHBondContact O-N 3.46Å; K892-E896 PolarHBondContact O-N 3.41Å; K892-E896 VanDerWaalsContact O-N 3.08Å
893L78.3Confident76.8Confident130 Ų130105 Ų10568%0.68157%0.57SS**Hα-helixtrans-65.3-39.6174.1-71.4168.4000111.8E889 G890 E896 A897E889-L893 WeakPolarHBondContact O-CG 3.38Å; E889-L893 PolarHBondContact O-N 2.91Å; G890-L893 PolarHBondContact O-N 3.38Å; L893-E896 PolarHBondContact O-N 3.04Å; L893-A897 WeakPolarHBondContact O-CB 3.12Å; L893-A897 PolarHBondContact O-N 3.29Å
894E80.3Confident79Confident113 Ų113102.2 Ų102.253%0.52856%0.559SS.*Hα-helixtrans-63.1-44.5174.8-174.2174.3-165.700111.8G890 E896 A897 L898G890-E894 PolarHBondContact O-N 2.93Å; E894-E896 VanDerWaalsContact C-N 3.33Å; E894-E896 PolarHBondContact O-N 3Å; E894-A897 PolarHBondContact O-N 3.19Å; E894-L898 HydrophobicContact CG-CD1 4.22Å; E894-L898 WeakPolarHBondContact O-CB 3.45Å; E894-L898 VanDerWaalsContact O-CG 3.29Å; E894-L898 WeakPolarHBondContact O-CG 3.44Å; E894-L898 PolarHBondContact O-N 3.25Å
895N85.1Confident81Confident90 Ų90102.5 Ų102.548%0.48156%0.558SS.*Hα-helixtrans-62.3-38.1175.9-87.6-91.1000112.8L891 K892 L898 R899L891-N895 WeakPolarHBondContact O-CB 3.31Å; L891-N895 PolarHBondContact O-N 2.92Å; L891-N895 PolarHBondContact O-ND2 3.4Å; K892-N895 PolarHBondContact O-N 3.46Å; N895-L898 PolarHBondContact O-N 3.34Å; N895-R899 VanDerWaalsContact O-CG 3.29Å; N895-R899 WeakPolarHBondContact O-CG 3.43Å; N895-R899 PolarHBondContact O-N 3.3Å
896E88.9Confident82.9Confident110 Ų110102.8 Ų102.851%0.51455%0.548SS..Hα-helixtrans-73-36.5178.7-156.267.6179.400111.9K892 L893 E894 R899 S900K892-E896 PolarHBondContact O-N 3.41Å; K892-E896 VanDerWaalsContact O-N 3.08Å; L893-E896 PolarHBondContact O-N 3.04Å; E894-E896 VanDerWaalsContact C-N 3.33Å; E894-E896 PolarHBondContact O-N 3Å; E896-R899 WeakPolarHBondContact O-CB 3.14Å; E896-R899 PolarHBondContact O-N 3.11Å; E896-R899 VanDerWaalsContact OE2-CD 3.26Å; E896-R899 WeakPolarHBondContact OE2-CD 3.27Å; E896-R899 IonicContact OE2-CZ 2.96Å; E896-R899 IonicContact OE2-NH1 3.83Å; E896-R899 PolarHBondContact OE2-NH1 3.09Å; E896-S900 PolarHBondContact O-N 3.25Å
897A89.2Confident84.8Confident63 Ų63106.4 Ų106.452%0.52155%0.55SS..Hα-helixtrans-63-41.517100000112.2L893 E894 R899 S900 L901L893-A897 WeakPolarHBondContact O-CB 3.12Å; L893-A897 PolarHBondContact O-N 3.29Å; E894-A897 PolarHBondContact O-N 3.19Å; A897-R899 VanDerWaalsContact C-N 3.32Å; A897-R899 PolarHBondContact O-N 2.87Å; A897-S900 PolarHBondContact O-N 3.05Å; A897-L901 WeakPolarHBondContact O-CB 3.3Å; A897-L901 PolarHBondContact O-N 2.71Å
898L92.7Very high86.5Confident97 Ų97104.4 Ų104.451%0.50854%0.543SS..Hα-helixtrans-64.4-35174.5-72.2169.9000112.3E894 N895 L902E894-L898 HydrophobicContact CG-CD1 4.22Å; E894-L898 WeakPolarHBondContact O-CB 3.45Å; E894-L898 VanDerWaalsContact O-CG 3.29Å; E894-L898 WeakPolarHBondContact O-CG 3.44Å; E894-L898 PolarHBondContact O-N 3.25Å; N895-L898 PolarHBondContact O-N 3.34Å; L898-L902 WeakPolarHBondContact O-CB 3.5Å; L898-L902 PolarHBondContact O-N 2.96Å
899R92.2Very high88.1Confident150 Ų150101.1 Ų101.157%0.56653%0.53SS*.Hα-helixtrans-68.3-42.2173.6-76.2164.5166.1-168.3-6.9112.7N895 E896 A897 L902 N903N895-R899 VanDerWaalsContact O-CG 3.29Å; N895-R899 WeakPolarHBondContact O-CG 3.43Å; N895-R899 PolarHBondContact O-N 3.3Å; E896-R899 WeakPolarHBondContact O-CB 3.14Å; E896-R899 PolarHBondContact O-N 3.11Å; E896-R899 VanDerWaalsContact OE2-CD 3.26Å; E896-R899 WeakPolarHBondContact OE2-CD 3.27Å; E896-R899 IonicContact OE2-CZ 2.96Å; E896-R899 IonicContact OE2-NH1 3.83Å; E896-R899 PolarHBondContact OE2-NH1 3.09Å; A897-R899 VanDerWaalsContact C-N 3.32Å; A897-R899 PolarHBondContact O-N 2.87Å; R899-L902 PolarHBondContact O-N 3.01Å; R899-N903 PolarHBondContact O-N 3.33Å
900S92.7Very high89.3Confident65 Ų6598 Ų9846%0.45552%0.523SS..Hα-helixtrans-57.9-52.2172.8-166.70000110.3E896 A897 L902 N903 D904E896-S900 PolarHBondContact O-N 3.25Å; A897-S900 PolarHBondContact O-N 3.05Å; S900-L902 VanDerWaalsContact C-N 3.27Å; S900-L902 PolarHBondContact O-N 3.4Å; S900-N903 WeakPolarHBondContact O-CA 3.42Å; S900-N903 WeakPolarHBondContact O-CB 2.75Å; S900-N903 PolarHBondContact O-N 2.79Å; S900-D904 VanDerWaalsContact O-CG 3.24Å; S900-D904 PolarHBondContact O-N 2.82Å; S900-D904 VanDerWaalsContact O-OD2 3.11Å
901L94Very high90.3Very high112 Ų11299.7 Ų99.759%0.58653%0.526SS*.Hα-helixtrans-60.1-34.9-180-17663000113A897 A905A897-L901 WeakPolarHBondContact O-CB 3.3Å; A897-L901 PolarHBondContact O-N 2.71Å; L901-A905 VanDerWaalsContact O-CB 3.29Å; L901-A905 WeakPolarHBondContact O-CB 3.05Å; L901-A905 PolarHBondContact O-N 3.12Å
902L94.8Very high91.3Very high103 Ų10399.3 Ų99.354%0.53952%0.524SS..Hα-helixtrans-68.5-39.6173.8-179.860.5000112.1L898 R899 S900 A905 N906L898-L902 WeakPolarHBondContact O-CB 3.5Å; L898-L902 PolarHBondContact O-N 2.96Å; R899-L902 PolarHBondContact O-N 3.01Å; S900-L902 VanDerWaalsContact C-N 3.27Å; S900-L902 PolarHBondContact O-N 3.4Å; L902-A905 PolarHBondContact O-N 2.96Å; L902-N906 WeakPolarHBondContact O-CB 3.4Å; L902-N906 VanDerWaalsContact O-CG 3.23Å; L902-N906 PolarHBondContact O-N 2.93Å; L902-N906 PolarHBondContact O-ND2 2.96Å; L902-N906 VanDerWaalsContact O-ND2 3.09Å
903N95Very high92.2Very high106 Ų10698.5 Ų98.557%0.56752%0.52SS*.Hα-helixtrans-66.5-43.1174.7-71.8-18.7000111.6R899 S900 A905 N906 H907R899-N903 PolarHBondContact O-N 3.33Å; S900-N903 WeakPolarHBondContact O-CA 3.42Å; S900-N903 WeakPolarHBondContact O-CB 2.75Å; S900-N903 PolarHBondContact O-N 2.79Å; N903-A905 VanDerWaalsContact C-N 3.34Å; N903-A905 PolarHBondContact O-N 3.13Å; N903-N906 PolarHBondContact O-N 2.85Å; N903-H907 PolarHBondContact O-N 2.92Å
904D94.3Very high93Very high95 Ų9596 Ų9651%0.50851%0.514SS..Hα-helixtrans-60.6-43.7175.5-62.1-37000111.1S900 H907 L908S900-D904 VanDerWaalsContact O-CG 3.24Å; S900-D904 PolarHBondContact O-N 2.82Å; S900-D904 VanDerWaalsContact O-OD2 3.11Å; D904-H907 PolarHBondContact O-N 2.75Å; D904-L908 WeakPolarHBondContact O-CB 3.04Å; D904-L908 PolarHBondContact O-N 2.88Å
905A95.2Very high93.7Very high41 Ų4196.3 Ų96.334%0.33952%0.515SS..Hα-helixtrans-63.7-42174.600000112.4L901 L902 N903 L908 I909L901-A905 VanDerWaalsContact O-CB 3.29Å; L901-A905 WeakPolarHBondContact O-CB 3.05Å; L901-A905 PolarHBondContact O-N 3.12Å; L902-A905 PolarHBondContact O-N 2.96Å; N903-A905 VanDerWaalsContact C-N 3.34Å; N903-A905 PolarHBondContact O-N 3.13Å; A905-L908 PolarHBondContact O-N 3.23Å; A905-I909 WeakPolarHBondContact O-CB 3.46Å; A905-I909 WeakPolarHBondContact O-CD1 3.33Å; A905-I909 VanDerWaalsContact O-CG1 3.23Å; A905-I909 WeakPolarHBondContact O-CG1 3.41Å; A905-I909 PolarHBondContact O-N 2.85Å
906N95.3Very high94.2Very high85 Ų8595 Ų9546%0.45551%0.51SS..Hα-helixtrans-64.9-40176.2-76.7-34.6000112.1L902 N903 I909 S910L902-N906 WeakPolarHBondContact O-CB 3.4Å; L902-N906 VanDerWaalsContact O-CG 3.23Å; L902-N906 PolarHBondContact O-N 2.93Å; L902-N906 PolarHBondContact O-ND2 2.96Å; L902-N906 VanDerWaalsContact O-ND2 3.09Å; N903-N906 PolarHBondContact O-N 2.85Å; N906-I909 PolarHBondContact O-N 3.06Å; N906-S910 PolarHBondContact O-N 3.04Å
907H95.6Very high94.5Very high134 Ų13495 Ų9562%0.6251%0.513SS*.Hα-helixtrans-62.4-47.3173.4-171.5-48.8000110.9N903 D904 I909 S910 T911N903-H907 PolarHBondContact O-N 2.92Å; D904-H907 PolarHBondContact O-N 2.75Å; H907-I909 VanDerWaalsContact C-N 3.33Å; H907-I909 PolarHBondContact O-N 3.08Å; H907-S910 WeakPolarHBondContact O-CA 3.48Å; H907-S910 WeakPolarHBondContact O-CB 3.38Å; H907-S910 PolarHBondContact O-N 2.75Å; H907-S910 VanDerWaalsContact O-N 3.08Å; H907-T911 PolarHBondContact ND1-OG1 2.93Å; H907-T911 PolarHBondContact O-N 2.89Å; H907-T911 PolarHBondContact O-OG1 3.43Å; H907-T911 VanDerWaalsContact O-OG1 3.12Å
908L95.6Very high94.7Very high104 Ų10495 Ų9555%0.54551%0.506SS..Hα-helixtrans-60.3-41.6177.8-179.361000111.9D904 A905 S910 T911 I912D904-L908 WeakPolarHBondContact O-CB 3.04Å; D904-L908 PolarHBondContact O-N 2.88Å; A905-L908 PolarHBondContact O-N 3.23Å; L908-S910 VanDerWaalsContact C-N 3.31Å; L908-S910 PolarHBondContact O-N 3.23Å; L908-T911 PolarHBondContact O-N 2.86Å; L908-I912 HydrophobicContact CD1-CD1 4.05Å; L908-I912 HydrophobicContact CD1-CG1 4.33Å; L908-I912 HydrophobicContact CG-CD1 3.92Å; L908-I912 WeakPolarHBondContact O-CB 3.36Å; L908-I912 VanDerWaalsContact O-CG1 3.27Å; L908-I912 WeakPolarHBondContact O-CG1 3.43Å; L908-I912 PolarHBondContact O-N 2.66Å
909I95.1Very high94.8Very high83 Ų8394.4 Ų94.443%0.42650%0.503SS..Hα-helixtrans-61.5-39.3173.9-71.5163.6000111.2A905 N906 H907 K913A905-I909 WeakPolarHBondContact O-CB 3.46Å; A905-I909 WeakPolarHBondContact O-CD1 3.33Å; A905-I909 VanDerWaalsContact O-CG1 3.23Å; A905-I909 WeakPolarHBondContact O-CG1 3.41Å; A905-I909 PolarHBondContact O-N 2.85Å; N906-I909 PolarHBondContact O-N 3.06Å; H907-I909 VanDerWaalsContact C-N 3.33Å; H907-I909 PolarHBondContact O-N 3.08Å; I909-K913 HydrophobicContact CG2-CD 4.18Å; I909-K913 WeakPolarHBondContact O-CB 3.33Å; I909-K913 VanDerWaalsContact O-CG 3.3Å; I909-K913 WeakPolarHBondContact O-CG 3.45Å; I909-K913 PolarHBondContact O-N 3.05Å
910S93.9Very high94.9Very high76 Ų7692.6 Ų92.653%0.53150%0.501SS..Hα-helixtrans-64.5-47.6175.7-163.90000111.8N906 H907 L908 I912 K913 S914N906-S910 PolarHBondContact O-N 3.04Å; H907-S910 WeakPolarHBondContact O-CA 3.48Å; H907-S910 WeakPolarHBondContact O-CB 3.38Å; H907-S910 PolarHBondContact O-N 2.75Å; H907-S910 VanDerWaalsContact O-N 3.08Å; L908-S910 VanDerWaalsContact C-N 3.31Å; L908-S910 PolarHBondContact O-N 3.23Å; S910-I912 PolarHBondContact O-N 3.23Å; S910-K913 PolarHBondContact O-N 2.91Å; S910-S914 PolarHBondContact O-N 3.09Å
911T94.7Very high95Very high72 Ų7293.3 Ų93.344%0.44250%0.503SS..Hα-helixtrans-59.8-44.2176.5-53.70000111.9H907 L908 S914 H915H907-T911 PolarHBondContact ND1-OG1 2.93Å; H907-T911 PolarHBondContact O-N 2.89Å; H907-T911 PolarHBondContact O-OG1 3.43Å; H907-T911 VanDerWaalsContact O-OG1 3.12Å; L908-T911 PolarHBondContact O-N 2.86Å; T911-S914 PolarHBondContact O-N 3.22Å; T911-H915 PolarHBondContact O-N 2.73Å
912I96.7Very high95.1Very high93 Ų9393.2 Ų93.248%0.47750%0.5SS..Hα-helixtrans-63.2-46.3177.2-70167.7000110.8L908 S910 S914 H915 T916L908-I912 HydrophobicContact CD1-CD1 4.05Å; L908-I912 HydrophobicContact CD1-CG1 4.33Å; L908-I912 HydrophobicContact CG-CD1 3.92Å; L908-I912 WeakPolarHBondContact O-CB 3.36Å; L908-I912 VanDerWaalsContact O-CG1 3.27Å; L908-I912 WeakPolarHBondContact O-CG1 3.43Å; L908-I912 PolarHBondContact O-N 2.66Å; S910-I912 PolarHBondContact O-N 3.23Å; I912-S914 VanDerWaalsContact C-N 3.34Å; I912-S914 PolarHBondContact O-N 2.92Å; I912-H915 PolarHBondContact O-N 3.08Å; I912-T916 PolarHBondContact O-N 2.83Å; I912-T916 PolarHBondContact O-OG1 2.99Å; I912-T916 VanDerWaalsContact O-OG1 3.11Å
913K96.2Very high95Very high147 Ų14793.6 Ų93.664%0.63950%0.502SS*.Hα-helixtrans-58.7-43.8177.2-77.9174.3177.3-178.80112.6I909 S910 T916 L917I909-K913 HydrophobicContact CG2-CD 4.18Å; I909-K913 WeakPolarHBondContact O-CB 3.33Å; I909-K913 VanDerWaalsContact O-CG 3.3Å; I909-K913 WeakPolarHBondContact O-CG 3.45Å; I909-K913 PolarHBondContact O-N 3.05Å; S910-K913 PolarHBondContact O-N 2.91Å; K913-T916 PolarHBondContact O-N 3.02Å; K913-L917 PolarHBondContact O-N 3.32Å
914S95Very high95Very high77 Ų7793.3 Ų93.354%0.53850%0.5SS..Hα-helixtrans-59.4-50.6176.3-175.40000111.2S910 T911 I912 T916 L917 T918S910-S914 PolarHBondContact O-N 3.09Å; T911-S914 PolarHBondContact O-N 3.22Å; I912-S914 VanDerWaalsContact C-N 3.34Å; I912-S914 PolarHBondContact O-N 2.92Å; S914-T916 PolarHBondContact O-N 3.36Å; S914-L917 PolarHBondContact O-N 3.42Å; S914-T918 PolarHBondContact O-N 2.91Å; S914-T918 PolarHBondContact O-OG1 2.99Å
915H95.7Very high94.9Very high119 Ų11991.1 Ų91.155%0.55150%0.496SS*.Hα-helixtrans-64-36.5178.8-172.1-92.4000113.3T911 I912 L919T911-H915 PolarHBondContact O-N 2.73Å; I912-H915 PolarHBondContact O-N 3.08Å; H915-L919 WeakPolarHBondContact O-CG 3.23Å; H915-L919 PolarHBondContact O-N 3.45Å; H915-L919 VanDerWaalsContact O-N 3.09Å
916T95.3Very high95Very high63 Ų6395.3 Ų95.339%0.38751%0.506SS..Hα-helixtrans-61.6-46.2172.6-65.10000111.4I912 K913 S914 T918 L919 E920I912-T916 PolarHBondContact O-N 2.83Å; I912-T916 PolarHBondContact O-OG1 2.99Å; I912-T916 VanDerWaalsContact O-OG1 3.11Å; K913-T916 PolarHBondContact O-N 3.02Å; S914-T916 PolarHBondContact O-N 3.36Å; T916-T918 PolarHBondContact O-N 3.43Å; T916-L919 PolarHBondContact O-N 3.41Å; T916-E920 HydrophobicContact CG2-CG 4.46Å; T916-E920 WeakPolarHBondContact O-CG 3.46Å; T916-E920 PolarHBondContact O-N 3.42Å
917L94.8Very high95Very high110 Ų11094.5 Ų94.558%0.57650%0.504SS*.Hα-helixtrans-63.3-41.1179.5-170.5151.7000111.7K913 S914 E920 T921K913-L917 PolarHBondContact O-N 3.32Å; S914-L917 PolarHBondContact O-N 3.42Å; L917-E920 PolarHBondContact O-N 3.44Å; L917-T921 HydrophobicContact CD2-CG2 4.37Å; L917-T921 WeakPolarHBondContact O-CG2 3.29Å; L917-T921 PolarHBondContact O-N 3.29Å
918T93.8Very high94.9Very high62 Ų6293.1 Ų93.138%0.3850%0.501SS..Hα-helixtrans-58.3-50.3173.1-54.80000111.5S914 T916 E920 T921 E922S914-T918 PolarHBondContact O-N 2.91Å; S914-T918 PolarHBondContact O-OG1 2.99Å; T916-T918 PolarHBondContact O-N 3.43Å; T918-E920 VanDerWaalsContact C-N 3.29Å; T918-E920 PolarHBondContact O-N 2.92Å; T918-T921 PolarHBondContact O-N 3.16Å; T918-T921 VanDerWaalsContact O-N 3.07Å; T918-T921 PolarHBondContact O-OG1 3.34Å; T918-E922 PolarHBondContact O-N 3.05Å
919L95.4Very high94.8Very high85 Ų8590 Ų9045%0.44549%0.485SS..Hα-helixtrans-62.7-33.5178.7-72.6178.3000113.1H915 T916 L923H915-L919 WeakPolarHBondContact O-CG 3.23Å; H915-L919 PolarHBondContact O-N 3.45Å; H915-L919 VanDerWaalsContact O-N 3.09Å; T916-L919 PolarHBondContact O-N 3.41Å; L919-L923 VanDerWaalsContact O-CB 3.24Å; L919-L923 WeakPolarHBondContact O-CB 3.5Å; L919-L923 PolarHBondContact O-N 2.92Å
920E94.8Very high94.9Very high112 Ų11290.5 Ų90.552%0.52349%0.492SS..Hα-helixtrans-66.1-39.1173-74.7174.5178.100111.5T916 L917 T918 N924T916-E920 HydrophobicContact CG2-CG 4.46Å; T916-E920 WeakPolarHBondContact O-CG 3.46Å; T916-E920 PolarHBondContact O-N 3.42Å; L917-E920 PolarHBondContact O-N 3.44Å; T918-E920 VanDerWaalsContact C-N 3.29Å; T918-E920 PolarHBondContact O-N 2.92Å; E920-N924 WeakPolarHBondContact O-CB 3.27Å; E920-N924 VanDerWaalsContact O-CG 3.27Å; E920-N924 PolarHBondContact O-N 3.36Å; E920-N924 PolarHBondContact O-ND2 3.29Å
921T94.5Very high94.9Very high80 Ų8091.3 Ų91.349%0.49149%0.49SS..Hα-helixtrans-67.8-40.4174.261.80000112.9L917 T918 N924 A925L917-T921 HydrophobicContact CD2-CG2 4.37Å; L917-T921 WeakPolarHBondContact O-CG2 3.29Å; L917-T921 PolarHBondContact O-N 3.29Å; T918-T921 PolarHBondContact O-N 3.16Å; T918-T921 VanDerWaalsContact O-N 3.07Å; T918-T921 PolarHBondContact O-OG1 3.34Å; T921-N924 PolarHBondContact O-N 2.67Å; T921-A925 WeakPolarHBondContact O-CB 3.47Å; T921-A925 PolarHBondContact O-N 2.79Å
922E95.4Very high94.9Very high110 Ų11093.5 Ų93.551%0.51449%0.49SS..Hα-helixtrans-65-42.2175.3-71.3-176.7-174.700111.9T918 A925 K926T918-E922 PolarHBondContact O-N 3.05Å; E922-A925 PolarHBondContact O-N 2.74Å; E922-K926 WeakPolarHBondContact O-CG 3.37Å; E922-K926 PolarHBondContact O-N 3.29Å
923L93.8Very high94.9Very high112 Ų11293.7 Ų93.759%0.58649%0.492SS*.Hα-helixtrans-63.6-44.7177.8-178.461.5000111.4L919 A925 K926 V927L919-L923 VanDerWaalsContact O-CB 3.24Å; L919-L923 WeakPolarHBondContact O-CB 3.5Å; L919-L923 PolarHBondContact O-N 2.92Å; L923-A925 VanDerWaalsContact C-N 3.34Å; L923-A925 PolarHBondContact O-N 2.85Å; L923-K926 PolarHBondContact O-N 3.36Å; L923-K926 VanDerWaalsContact O-N 3.13Å; L923-V927 WeakPolarHBondContact O-CG2 3.29Å; L923-V927 PolarHBondContact O-N 3.28Å
924N93.2Very high94.8Very high99 Ų9990 Ų9053%0.52948%0.484SS..Hα-helixtrans-62.6-40.4175.9-73.9-36.4000111.8E920 T921 K926 V927 N928E920-N924 WeakPolarHBondContact O-CB 3.27Å; E920-N924 VanDerWaalsContact O-CG 3.27Å; E920-N924 PolarHBondContact O-N 3.36Å; E920-N924 PolarHBondContact O-ND2 3.29Å; T921-N924 PolarHBondContact O-N 2.67Å; N924-K926 VanDerWaalsContact C-N 3.3Å; N924-K926 PolarHBondContact O-N 2.65Å; N924-V927 PolarHBondContact O-N 2.63Å; N924-N928 VanDerWaalsContact O-CG 3.26Å; N924-N928 PolarHBondContact O-N 3.47Å; N924-N928 PolarHBondContact O-ND2 3.39Å
925A94.1Very high94.8Very high50 Ų5091 Ų9141%0.41348%0.48SS..Hα-helixtrans-61.3-38.1172.900000112.2T921 E922 L923 N928 D929T921-A925 WeakPolarHBondContact O-CB 3.47Å; T921-A925 PolarHBondContact O-N 2.79Å; E922-A925 PolarHBondContact O-N 2.74Å; L923-A925 VanDerWaalsContact C-N 3.34Å; L923-A925 PolarHBondContact O-N 2.85Å; A925-N928 PolarHBondContact O-N 2.99Å; A925-D929 PolarHBondContact O-N 2.81Å
926K95.7Very high94.8Very high129 Ų12989.7 Ų89.756%0.56148%0.475SS*.Hα-helixtrans-73.4-31.4176.9-70.1-68.6145.7-148.10114E922 L923 N924 D929 V930E922-K926 WeakPolarHBondContact O-CG 3.37Å; E922-K926 PolarHBondContact O-N 3.29Å; L923-K926 PolarHBondContact O-N 3.36Å; L923-K926 VanDerWaalsContact O-N 3.13Å; N924-K926 VanDerWaalsContact C-N 3.3Å; N924-K926 PolarHBondContact O-N 2.65Å; K926-D929 IonicContact NZ-OD2 2.73Å; K926-D929 PolarHBondContact NZ-OD2 3Å; K926-D929 PolarHBondContact O-N 3.47Å; K926-V930 WeakPolarHBondContact O-CG2 3.22Å; K926-V930 PolarHBondContact O-N 2.97Å; K926-V930 VanDerWaalsContact O-N 3.09Å
927V95.4Very high94.7Very high68 Ų6892.3 Ų92.341%0.41249%0.486SS..Hα-helixtrans-63.3-48.2169.5172.10000110L923 N924 D929 V930 D931L923-V927 WeakPolarHBondContact O-CG2 3.29Å; L923-V927 PolarHBondContact O-N 3.28Å; N924-V927 PolarHBondContact O-N 2.63Å; V927-D929 VanDerWaalsContact C-N 3.31Å; V927-D929 PolarHBondContact O-N 3.26Å; V927-V930 PolarHBondContact O-N 2.98Å; V927-D931 PolarHBondContact O-N 3.25Å
928N93.5Very high94.6Very high104 Ų10490.3 Ų90.356%0.55648%0.48SS*.Hα-helixtrans-61.1-36177.4-64.9-19.5000113N924 A925 R932N924-N928 VanDerWaalsContact O-CG 3.26Å; N924-N928 PolarHBondContact O-N 3.47Å; N924-N928 PolarHBondContact O-ND2 3.39Å; A925-N928 PolarHBondContact O-N 2.99Å; N928-R932 WeakPolarHBondContact O-CB 3.44Å; N928-R932 PolarHBondContact O-N 3.5Å; N928-R932 VanDerWaalsContact O-N 3.07Å
929D94.7Very high94.5Very high39 Ų3994.4 Ų94.421%0.20949%0.489CS..Hα-helixtrans-62.5-43.6171-91.1-30.4000112.3A925 K926 V927 R932 L933A925-D929 PolarHBondContact O-N 2.81Å; K926-D929 IonicContact NZ-OD2 2.73Å; K926-D929 PolarHBondContact NZ-OD2 3Å; K926-D929 PolarHBondContact O-N 3.47Å; V927-D929 VanDerWaalsContact C-N 3.31Å; V927-D929 PolarHBondContact O-N 3.26Å; D929-R932 IonicContact OD1-CZ 2.73Å; D929-R932 VanDerWaalsContact OD1-CZ 3.24Å; D929-R932 IonicContact OD1-NH1 2.94Å; D929-R932 PolarHBondContact OD1-NH1 2.87Å; D929-R932 IonicContact OD1-NH2 3.7Å; D929-R932 PolarHBondContact OD1-NH2 2.86Å; D929-L933 WeakPolarHBondContact O-CB 3.29Å; D929-L933 VanDerWaalsContact O-CG 3.26Å; D929-L933 WeakPolarHBondContact O-CG 3.35Å; D929-L933 PolarHBondContact O-N 3.27Å
930V95.9Very high94.4Very high94 Ų9494 Ų9457%0.5749%0.486SS*.Hα-helixtrans-65.9-43.4178.8167.90000111.1K926 V927 L933 S934K926-V930 WeakPolarHBondContact O-CG2 3.22Å; K926-V930 PolarHBondContact O-N 2.97Å; K926-V930 VanDerWaalsContact O-N 3.09Å; V927-V930 PolarHBondContact O-N 2.98Å; V930-L933 PolarHBondContact O-N 3Å; V930-S934 WeakPolarHBondContact O-CB 3.48Å; V930-S934 PolarHBondContact O-N 3.35Å
931D93.9Very high94.3Very high92 Ų9294.1 Ų94.149%0.49249%0.485SS..Hα-helixtrans-62.8-45.2177.7-71.8-22.7000110.9V927 L933 S934 E935V927-D931 PolarHBondContact O-N 3.25Å; D931-L933 PolarHBondContact O-N 2.97Å; D931-S934 PolarHBondContact O-N 3.47Å; D931-S934 PolarHBondContact O-OG 2.63Å; D931-E935 PolarHBondContact O-N 3.35Å
932R95.6Very high94.1Very high119 Ų11994.3 Ų94.345%0.44948%0.483SS..Hα-helixtrans-58.1-48.9174.1-172.7-176.471-106.8-4.8112N928 D929 S934 E935 E936N928-R932 WeakPolarHBondContact O-CB 3.44Å; N928-R932 PolarHBondContact O-N 3.5Å; N928-R932 VanDerWaalsContact O-N 3.07Å; D929-R932 IonicContact OD1-CZ 2.73Å; D929-R932 VanDerWaalsContact OD1-CZ 3.24Å; D929-R932 IonicContact OD1-NH1 2.94Å; D929-R932 PolarHBondContact OD1-NH1 2.87Å; D929-R932 IonicContact OD1-NH2 3.7Å; D929-R932 PolarHBondContact OD1-NH2 2.86Å; R932-S934 VanDerWaalsContact C-N 3.27Å; R932-S934 PolarHBondContact O-N 2.94Å; R932-E935 PolarHBondContact O-N 2.91Å; R932-E936 IonicContact NE-OE1 3.05Å; R932-E936 WeakPolarHBondContact O-CG 3.44Å; R932-E936 PolarHBondContact O-N 3.4Å
933L96.3Very high94Very high97 Ų9796.3 Ų96.351%0.50849%0.486SS..Hα-helixtrans-63.1-33.8178.2-73.4169.4000112.1D929 V930 D931 L937D929-L933 WeakPolarHBondContact O-CB 3.29Å; D929-L933 VanDerWaalsContact O-CG 3.26Å; D929-L933 WeakPolarHBondContact O-CG 3.35Å; D929-L933 PolarHBondContact O-N 3.27Å; V930-L933 PolarHBondContact O-N 3Å; D931-L933 PolarHBondContact O-N 2.97Å; L933-L937 VanDerWaalsContact O-CB 3.26Å; L933-L937 WeakPolarHBondContact O-CB 3.48Å; L933-L937 PolarHBondContact O-N 3.12Å
934S94.5Very high93.9Very high68 Ų6892 Ų9248%0.47646%0.464SS..Hα-helixtrans-66.6-38.3175.484.50000112V930 D931 R932 C938V930-S934 WeakPolarHBondContact O-CB 3.48Å; V930-S934 PolarHBondContact O-N 3.35Å; D931-S934 PolarHBondContact O-N 3.47Å; D931-S934 PolarHBondContact O-OG 2.63Å; R932-S934 VanDerWaalsContact C-N 3.27Å; R932-S934 PolarHBondContact O-N 2.94Å; S934-C938 WeakPolarHBondContact O-CB 3.5Å; S934-C938 PolarHBondContact O-N 2.85Å
935E94.7Very high93.7Very high98 Ų9891.6 Ų91.646%0.45846%0.461SS..Hα-helixtrans-71.3-43.5176.6-151.3-152.8157.800111.5D931 R932 L937 C938 R939D931-E935 PolarHBondContact O-N 3.35Å; R932-E935 PolarHBondContact O-N 2.91Å; E935-L937 VanDerWaalsContact C-N 3.34Å; E935-L937 PolarHBondContact O-N 3.35Å; E935-C938 WeakPolarHBondContact O-CB 3.26Å; E935-C938 PolarHBondContact O-N 2.8Å; E935-R939 VanDerWaalsContact CD-NE 3.33Å; E935-R939 WeakPolarHBondContact O-CB 3.49Å; E935-R939 VanDerWaalsContact O-CG 3.25Å; E935-R939 WeakPolarHBondContact O-CG 3.36Å; E935-R939 PolarHBondContact O-N 3.22Å; E935-R939 IonicContact OE1-CZ 3.59Å; E935-R939 IonicContact OE1-NE 3.73Å; E935-R939 PolarHBondContact OE1-NE 2.96Å; E935-R939 IonicContact OE1-NH2 2.75Å; E935-R939 PolarHBondContact OE1-NH2 2.95Å; E935-R939 IonicContact OE2-CZ 3.35Å; E935-R939 IonicContact OE2-NE 3.13Å; E935-R939 IonicContact OE2-NH2 2.72Å; E935-R939 PolarHBondContact OE2-NH2 2.95Å
936E95.3Very high93.5Very high92 Ų9296.4 Ų96.443%0.4348%0.479SS..Hα-helixtrans-59.1-43.5174.4-74174.4-179.100111.7R932 R939 L940R932-E936 IonicContact NE-OE1 3.05Å; R932-E936 WeakPolarHBondContact O-CG 3.44Å; R932-E936 PolarHBondContact O-N 3.4Å; E936-R939 PolarHBondContact O-N 3.09Å; E936-L940 WeakPolarHBondContact O-CB 3.3Å; E936-L940 PolarHBondContact O-N 3.4Å
937L93.1Very high93.4Very high119 Ų11994.5 Ų94.562%0.62347%0.474SS*.Hα-helixtrans-65.8-37.5175.7-167.972.2000112.1L933 E935 L940 K941L933-L937 VanDerWaalsContact O-CB 3.26Å; L933-L937 WeakPolarHBondContact O-CB 3.48Å; L933-L937 PolarHBondContact O-N 3.12Å; E935-L937 VanDerWaalsContact C-N 3.34Å; E935-L937 PolarHBondContact O-N 3.35Å; L937-L940 PolarHBondContact O-N 3.34Å; L937-K941 WeakPolarHBondContact O-CB 3.45Å; L937-K941 PolarHBondContact O-N 3.41Å
938C92.6Very high93Very high67 Ų6793.6 Ų93.645%0.45348%0.479SS..Hα-helixtrans-65.6-46.7174.9-170.70000111.7S934 E935 L940 K941 N942S934-C938 WeakPolarHBondContact O-CB 3.5Å; S934-C938 PolarHBondContact O-N 2.85Å; E935-C938 WeakPolarHBondContact O-CB 3.26Å; E935-C938 PolarHBondContact O-N 2.8Å; C938-L940 VanDerWaalsContact C-N 3.34Å; C938-L940 PolarHBondContact O-N 3.14Å; C938-K941 PolarHBondContact O-N 3Å; C938-N942 VanDerWaalsContact O-CG 3.25Å; C938-N942 PolarHBondContact O-N 3.37Å; C938-N942 PolarHBondContact O-ND2 3.35Å
939R93.1Very high92.7Very high149 Ų14991.9 Ų91.956%0.56247%0.469SS*.Hα-helixtrans-58.6-44.4174-69.3167.9179.8-168.64.4111.2E935 E936 N942 R943E935-R939 VanDerWaalsContact CD-NE 3.33Å; E935-R939 WeakPolarHBondContact O-CB 3.49Å; E935-R939 VanDerWaalsContact O-CG 3.25Å; E935-R939 WeakPolarHBondContact O-CG 3.36Å; E935-R939 PolarHBondContact O-N 3.22Å; E935-R939 IonicContact OE1-CZ 3.59Å; E935-R939 IonicContact OE1-NE 3.73Å; E935-R939 PolarHBondContact OE1-NE 2.96Å; E935-R939 IonicContact OE1-NH2 2.75Å; E935-R939 PolarHBondContact OE1-NH2 2.95Å; E935-R939 IonicContact OE2-CZ 3.35Å; E935-R939 IonicContact OE2-NE 3.13Å; E935-R939 IonicContact OE2-NH2 2.72Å; E935-R939 PolarHBondContact OE2-NH2 2.95Å; E936-R939 PolarHBondContact O-N 3.09Å; R939-N942 PolarHBondContact O-N 3.01Å; R939-R943 PolarHBondContact O-N 3.3Å
940L93Very high92.2Very high75 Ų7594.3 Ų94.339%0.39349%0.486SS..Hα-helixtrans-63.9-45.6176.9179.159.9000112.2E936 L937 C938 N942 R943 L944E936-L940 WeakPolarHBondContact O-CB 3.3Å; E936-L940 PolarHBondContact O-N 3.4Å; L937-L940 PolarHBondContact O-N 3.34Å; C938-L940 VanDerWaalsContact C-N 3.34Å; C938-L940 PolarHBondContact O-N 3.14Å; L940-N942 VanDerWaalsContact C-N 3.33Å; L940-N942 PolarHBondContact O-N 2.93Å; L940-R943 PolarHBondContact O-N 3.42Å; L940-L944 HydrophobicContact CD1-CD1 4.23Å; L940-L944 HydrophobicContact CD1-CG 4.24Å; L940-L944 HydrophobicContact CG-CD1 4.09Å; L940-L944 WeakPolarHBondContact O-CG 3.47Å; L940-L944 PolarHBondContact O-N 3.44Å
941K92.5Very high91.6Very high116 Ų11697 Ų9750%0.50449%0.492SS..Hα-helixtrans-57.4-45.4175.1177.4176.5179.3178.20111.5L937 C938 L944 L945 L953L937-K941 WeakPolarHBondContact O-CB 3.45Å; L937-K941 PolarHBondContact O-N 3.41Å; C938-K941 PolarHBondContact O-N 3Å; K941-L944 PolarHBondContact O-N 2.99Å; K941-L945 HydrophobicContact CG-CD1 4.25Å; K941-L945 WeakPolarHBondContact O-CG 3.47Å; K941-L945 PolarHBondContact O-N 3.08Å; K941-L953 HydrophobicContact CG-CD2 4.08Å
942N90.8Very high91Very high83 Ų83100 Ų10044%0.44450%0.498SS..Hα-helixtrans-64.8-38.9178.7-68.7-21.6000111.9C938 R939 L940 L945 L946C938-N942 VanDerWaalsContact O-CG 3.25Å; C938-N942 PolarHBondContact O-N 3.37Å; C938-N942 PolarHBondContact O-ND2 3.35Å; R939-N942 PolarHBondContact O-N 3.01Å; L940-N942 VanDerWaalsContact C-N 3.33Å; L940-N942 PolarHBondContact O-N 2.93Å; N942-L945 PolarHBondContact O-N 3.46Å; N942-L946 WeakPolarHBondContact O-CG 3.34Å; N942-L946 PolarHBondContact O-N 2.96Å; N942-L946 VanDerWaalsContact O-N 3.08Å
943R91.6Very high90.3Very high152 Ų15296.4 Ų96.457%0.57449%0.487SS*.Hα-helixtrans-64.8-47.5173.9-162.7-178.170.7-167.9-2.2112R939 L940 L945 L946 D947R939-R943 PolarHBondContact O-N 3.3Å; L940-R943 PolarHBondContact O-N 3.42Å; R943-L945 PolarHBondContact O-N 3Å; R943-L946 PolarHBondContact O-N 3.44Å; R943-D947 WeakPolarHBondContact CG-OD2 3.44Å; R943-D947 IonicContact NE-OD2 3.74Å; R943-D947 WeakPolarHBondContact O-CB 3.38Å; R943-D947 PolarHBondContact O-N 3.4Å
944L91.6Very high89.2Confident23 Ų23100 Ų10012%0.1250%0.502CS..Hα-helixtrans-60.3-31.4177.2-71170.7000113.1L940 K941 G948 L949 Y952 L953L940-L944 HydrophobicContact CD1-CD1 4.23Å; L940-L944 HydrophobicContact CD1-CG 4.24Å; L940-L944 HydrophobicContact CG-CD1 4.09Å; L940-L944 WeakPolarHBondContact O-CG 3.47Å; L940-L944 PolarHBondContact O-N 3.44Å; K941-L944 PolarHBondContact O-N 2.99Å; L944-G948 PolarHBondContact O-N 2.97Å; L944-L949 HydrophobicContact CD2-CB 3.78Å; L944-L949 HydrophobicContact CD2-CD1 4.08Å; L944-L949 PolarHBondContact O-N 3.37Å; L944-Y952 HydrophobicContact CD2-CD2 4.3Å; L944-L953 HydrophobicContact CB-CD2 4.03Å; L944-L953 HydrophobicContact CB-CG 4.32Å; L944-L953 HydrophobicContact CD1-CD2 3.9Å
945L89.5Confident87.4Confident89 Ų89106.7 Ų106.747%0.46652%0.522SS..Hα-helixtrans-70.4-42.3172-74.3169.6000112.5K941 N942 R943 G948 L953K941-L945 HydrophobicContact CG-CD1 4.25Å; K941-L945 WeakPolarHBondContact O-CG 3.47Å; K941-L945 PolarHBondContact O-N 3.08Å; N942-L945 PolarHBondContact O-N 3.46Å; R943-L945 PolarHBondContact O-N 3Å; L945-G948 PolarHBondContact O-N 3.36Å; L945-L953 HydrophobicContact CD2-CD1 3.45Å; L945-L953 VanDerWaalsContact CD2-CD1 3.45Å; L945-L953 HydrophobicContact CG-CD1 3.73Å
946L90.7Very high85.1Confident152 Ų152109.8 Ų109.880%0.79655%0.547SS*.Hα-helixtrans-67.2-40.2177.3-71.7167.8000112.3N942 R943 G948N942-L946 WeakPolarHBondContact O-CG 3.34Å; N942-L946 PolarHBondContact O-N 2.96Å; N942-L946 VanDerWaalsContact O-N 3.08Å; R943-L946 PolarHBondContact O-N 3.44Å; L946-G948 PolarHBondContact O-N 2.82Å
947D92.4Very high84.6Confident88 Ų88110.7 Ų110.747%0.47155%0.553SS.*THydrogen-bonded Turntrans-73.3-4.8178.2-60.3-21.7000112.8R943 L949R943-D947 WeakPolarHBondContact CG-OD2 3.44Å; R943-D947 IonicContact NE-OD2 3.74Å; R943-D947 WeakPolarHBondContact O-CB 3.38Å; R943-D947 PolarHBondContact O-N 3.4Å; D947-L949 HydrophobicContact CB-CB 4.28Å; D947-L949 HydrophobicContact CB-CD1 3.75Å; D947-L949 HydrophobicContact CB-CG 3.72Å; D947-L949 PolarHBondContact O-N 3.29Å
948G87.8Confident84.2Confident49 Ų49110.3 Ų110.351%0.50555%0.55SS..THydrogen-bonded Turntrans70.96.1-174.600000114.6L944 L945 L946 T950L944-G948 PolarHBondContact O-N 2.97Å; L945-G948 PolarHBondContact O-N 3.36Å; L946-G948 PolarHBondContact O-N 2.82Å; G948-T950 PolarHBondContact O-N 3.29Å
949L86.9Confident83.7Confident68 Ų68112.7 Ų112.736%0.35656%0.555SS.*  trans-77.143.1-173.1-68.6179.5000113.6L944 D947 Q951 Y952L944-L949 HydrophobicContact CD2-CB 3.78Å; L944-L949 HydrophobicContact CD2-CD1 4.08Å; L944-L949 PolarHBondContact O-N 3.37Å; D947-L949 HydrophobicContact CB-CB 4.28Å; D947-L949 HydrophobicContact CB-CD1 3.75Å; D947-L949 HydrophobicContact CB-CG 3.72Å; D947-L949 PolarHBondContact O-N 3.29Å; L949-Q951 PolarHBondContact O-N 3.31Å; L949-Y952 HydrophobicContact CB-CD2 4.1Å; L949-Y952 HydrophobicContact CD2-CE2 4.41Å; L949-Y952 PolarHBondContact O-N 3.26Å; L949-Y952 VanDerWaalsContact O-N 3.12Å
950T83.5Confident83.2Confident91 Ų91110.5 Ų110.556%0.55856%0.555SS**G310 helixtrans-57.5-18.3-177.856.40000114.6G948 Y952 L953G948-T950 PolarHBondContact O-N 3.29Å; T950-Y952 PolarHBondContact O-N 3.13Å; T950-L953 PolarHBondContact O-N 2.95Å; T950-L953 VanDerWaalsContact O-N 3.12Å
951Q84.9Confident82.6Confident150 Ų150112.8 Ų112.870%0.70157%0.565SS**G310 helixtrans-65.1-20.9175.272.6-175.121.600114.4L949L949-Q951 PolarHBondContact O-N 3.31Å
952Y81.5Confident81.9Confident154 Ų154112.5 Ų112.560%0.60457%0.569SS**G310 helixtrans-95.3-2175.2-59-79.1000113L944 L949 T950L944-Y952 HydrophobicContact CD2-CD2 4.3Å; L949-Y952 HydrophobicContact CB-CD2 4.1Å; L949-Y952 HydrophobicContact CD2-CE2 4.41Å; L949-Y952 PolarHBondContact O-N 3.26Å; L949-Y952 VanDerWaalsContact O-N 3.12Å; T950-Y952 PolarHBondContact O-N 3.13Å
953L80.9Confident81.3Confident44 Ų44114.6 Ų114.623%0.2358%0.578CS.*SBendtrans-92.6106.4171.6-59.3177.2000107.4K941 L944 L945 T950K941-L953 HydrophobicContact CG-CD2 4.08Å; L944-L953 HydrophobicContact CB-CD2 4.03Å; L944-L953 HydrophobicContact CB-CG 4.32Å; L944-L953 HydrophobicContact CD1-CD2 3.9Å; L945-L953 HydrophobicContact CD2-CD1 3.45Å; L945-L953 VanDerWaalsContact CD2-CD1 3.45Å; L945-L953 HydrophobicContact CG-CD1 3.73Å; T950-L953 PolarHBondContact O-N 2.95Å; T950-L953 VanDerWaalsContact O-N 3.12Å
954E71.5Confident80.5Confident174 Ų174111.8 Ų111.881%0.81358%0.578SS**  trans-56.7140.8174.5-171.5168.4-143.900110.3V956E954-V956 VanDerWaalsContact C-N 3.31Å; E954-V956 PolarHBondContact O-N 3.49Å
955K57.7Low79.5Confident208 Ų208119.2 Ų119.290%0.90462%0.616SS**  trans-77.480.8-179.3-71.9-174.2177-1790110.8
956V47.2Very low78.6Confident163 Ų163121.9 Ų121.999%0.98863%0.63SS**  trans-73.10169.6-174.80000111.1E954E954-V956 VanDerWaalsContact C-N 3.31Å; E954-V956 PolarHBondContact O-N 3.49Å

Retrieved 956 of 956 residues in 685.7 ms (Link to these results)

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